REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 07-APR-09 3GZR COMPND UNCHARACTERIZED PROTEIN WITH A NTF2-LIKE FOLD; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CAULOBACTER VIBRIOIDES; SOURCE 3 ORGANISM_COMMON: CAULOBACTER VIBRIOIDES; SOURCE 4 ORGANISM_TAXID: 155892; SOURCE 5 GENE: CC_2572, NP_421374.1; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 71 8 HET MSE A 130 8 HET MSE A 171 13 HET MSE B 71 8 HET MSE B 130 8 HET MSE B 171 8 HET UNL A 200 9 HET UNL A 201 3 HET SO4 A 1 5 HET SO4 A 3 5 HET SO4 A 4 5 HET GOL A 6 12 HET UNL B 200 9 HET UNL B 201 3 HET SO4 B 2 5 HET SO4 B 5 5 SITE 1 AC1 11 SO4 A 4 ASN A 67 VAL A 68 PHE A 86 SITE 1 AC2 7 TRP A 65 ASN A 67 VAL A 68 ASN A 155 SITE 1 AC3 9 PRO A 61 ARG A 76 ARG A 149 ARG A 170 SITE 1 AC4 9 HOH A 15 ARG A 136 HOH A 214 HOH A 302 SITE 1 AC5 9 THR A 124 PRO A 125 ASP A 126 ARG A 128 SITE 1 AC6 8 GLY A 30 GLU A 31 GLY A 32 THR A 33 SITE 1 AC7 11 ALA A 162 ASN B 67 VAL B 68 VAL B 69 SITE 1 AC8 7 TRP B 65 ASN B 67 VAL B 68 ASN B 155 SITE 1 AC9 6 ARG A 74 HOH A 308 ARG B 136 HOH B 204 SITE 1 BC1 5 PRO B 61 ARG B 76 ARG B 149 HOH B 264 >GLY~A 30 -18.77 60.22 18.00 -18.07 60.32 17.59 -18.42 60.27 17.80 1 0 -3.10 -999 ? O3 AGOL A 6s >GLU~A 31 -15.36 61.67 23.10 -15.56 61.78 25.18 -15.46 61.72 24.14 2 0 -8.19 -999 ? O3 AGOL A 6s >GLY~A 32 -14.23 57.85 20.41 -14.46 58.35 19.83 -14.35 58.10 20.12 1 0 -3.79 -999 ? O3 AGOL A 6s >THR~A 33 -13.94 58.19 16.64 -15.81 57.89 15.71 -14.87 58.04 16.18 2 0 -2.41 -999 ? C3 BGOL A 6s >ASP~A 34 -13.63 63.01 17.45 -15.22 63.63 16.22 -14.42 63.32 16.84 2 0 6.96 -999 ? O3 AGOL A 6 >ALA~A 35 -10.38 60.95 19.68 -10.73 60.42 21.07 -10.56 60.69 20.37 2 0 7.81 -999 ? O3 AGOL A 6 >ILE~A 36 -9.27 56.59 17.75 -9.35 55.29 17.13 -9.31 55.94 17.44 3 0 8.18 -999 ? O3 BGOL A 6 >GLN~A 37 -10.59 59.87 13.16 -12.31 60.84 12.41 -11.45 60.36 12.79 2 0 8.01 -999 ? C3 BGOL A 6 >ALA~A 38 -6.55 62.71 16.63 -7.12 63.60 17.76 -6.83 63.15 17.19 2 0 12.07 -999 ? O3 AGOL A 6 >LEU~A 39 -4.78 58.91 19.15 -5.09 58.90 21.32 -4.94 58.91 20.23 3 0 12.74 -999 ? O3 AGOL A 6 >ILE~A 40 -4.65 57.94 13.84 -5.29 56.94 13.15 -4.97 57.44 13.49 3 0 12.66 -999 ? O1 UNL A 201 >GLN~A 41 -4.47 63.03 12.11 -3.57 63.07 10.13 -4.02 63.05 11.12 2 0 16.58 -999 ? O1 UNL A 201 >ALA~A 42 -0.28 62.45 16.44 -0.69 62.51 17.90 -0.48 62.48 17.17 2 0 15.48 -999 ? O1 UNL A 201 >TYR~A 43 1.40 56.50 15.54 3.02 54.25 15.02 2.21 55.37 15.28 3 0 7.36 -999 ? O1 UNL A 201 >PHE~A 44 0.77 57.96 10.96 0.27 55.24 11.06 0.52 56.60 11.01 3 0 8.93 -999 ? O1 UNL A 201 >THR~A 45 3.40 63.23 12.94 2.67 65.17 13.46 3.03 64.20 13.20 2 0 16.58 -999 ? O1 UNL A 201 >ALA~A 46 5.85 61.62 15.44 5.46 60.87 16.72 5.65 61.25 16.08 2 0 12.85 -999 ? O1 UNL A 201 >TRP~A 47 7.08 57.21 10.08 7.45 53.65 11.67 7.26 55.43 10.87 3 0 7.73 -999 ? O1 UNL A 201 >ASN~A 48 6.07 61.87 9.08 5.01 60.33 8.06 5.54 61.10 8.57 2 0 12.68 -999 ? O1 UNL A 201 >THR~A 49 9.15 64.05 11.85 7.63 65.25 12.86 8.39 64.65 12.36 2 0 16.95 -999 ? O1 UNL A 201 >ASN.A 50 12.81 61.71 12.79 12.80 60.97 10.82 12.81 61.34 11.81 2 0 14.92 -999 ? O3 UNL A 201 >ALA~A 51 10.24 62.55 16.96 9.36 63.75 16.98 9.80 63.15 16.97 2 0 16.47 -999 ? O1 UNL A 201 >PRO~A 52 12.22 58.85 18.36 10.24 59.76 18.38 11.23 59.31 18.37 3 0 13.89 -999 ? O1 UNL A 201 >GLU~A 53 11.01 63.42 21.59 11.94 63.33 19.64 11.47 63.37 20.62 2 0 17.91 -999 ? O1 UNL A 201 >ARG~A 54 6.42 65.37 20.86 7.94 65.12 23.56 7.18 65.24 22.21 2 0 19.95 -999 ? O1 UNL A 201 >PHE~A 55 5.96 57.19 19.19 6.37 57.08 16.42 6.17 57.14 17.81 3 0 9.98 -999 ? O1 UNL A 201 >ALA~A 56 4.84 57.81 24.94 5.93 58.06 26.01 5.38 57.93 25.48 2 0 16.19 -999 ? O1 UNL A 201 >GLU~A 57 2.45 62.43 24.01 3.39 64.28 23.81 2.92 63.36 23.91 2 0 19.04 -999 ? O1 UNL A 201 >ILE.A 58 -0.33 59.17 21.70 0.17 59.77 20.47 -0.08 59.47 21.08 3 0 14.17 -999 ? O1 UNL A 201 >PHE^A 59 1.23 54.05 23.04 1.58 53.49 20.33 1.41 53.77 21.68 3 0 10.49 -999 ? O1 UNL A 201 >TRP^A 60 -4.81 53.76 27.32 -5.21 56.87 29.71 -5.01 55.32 28.51 3 0 16.13 -999 ? O3 AGOL A 6 >PRO^A 61 0.93 53.94 31.91 0.90 52.76 29.99 0.92 53.35 30.95 3 0 -18.89 -999 ? O1 UNL A 201s >ASP^A 62 -1.32 48.48 30.69 -3.06 49.70 30.72 -2.19 49.09 30.71 2 0 18.86 -999 ? O2 SO4 B 2 >GLY^A 63 -0.18 49.25 25.94 0.30 48.79 26.40 0.06 49.02 26.17 1 0 13.71 -999 ? O1 UNL A 201 >SER^A 64 1.02 46.55 23.52 -0.98 45.16 23.62 0.02 45.85 23.57 2 0 11.74 -999 ? O2 SO4 B 2 >TRP^A 65 3.76 47.51 17.12 1.54 50.74 16.66 2.65 49.13 16.89 3 0 -4.25 -999 ? O1 UNL A 201s >VAL^A 66 2.58 43.76 17.07 1.69 41.75 17.06 2.13 42.76 17.07 3 0 7.48 -999 ? O1 UNL A 201 >ASN.A 67 6.01 45.53 14.22 7.64 44.22 13.87 6.82 44.88 14.04 2 0 4.40 -999 ? O3 UNL A 201s >VAL.A 68 4.68 43.87 10.37 5.35 45.57 9.13 5.01 44.72 9.75 3 0 3.55 -999 ? O3 UNL A 201s >VAL.A 69 7.14 40.99 11.03 9.10 41.89 10.56 8.12 41.44 10.80 3 0 4.63 -999 ? O5 UNL A 200 >GLY.A 70 5.26 39.72 14.12 5.86 40.21 14.22 5.56 39.96 14.17 1 0 7.76 -999 ? O2 SO4 B 2 >MET?A 71 7.43 41.27 16.87 10.89 43.24 15.40 9.16 42.26 16.13 2 0 4.49 -999 ? O9 UNL A 200 >HIS^A 72 3.71 40.40 21.59 2.34 40.38 23.18 3.03 40.39 22.39 3 0 5.45 -999 ? O2 SO4 B 2 >TRP^A 73 8.58 44.75 20.76 8.24 46.89 17.50 8.41 45.82 19.13 3 0 7.89 -999 ? O2 UNL A 201 >ARG^A 74 5.45 40.61 26.41 6.43 38.39 24.41 5.94 39.50 25.41 2 0 -3.00 -999 ? O3 SO4 B 2s >GLY~A 75 4.13 47.60 27.81 4.28 47.58 27.00 4.20 47.59 27.40 1 0 12.34 -999 ? O4 SO4 B 2 >ARG~A 76 3.62 54.84 27.26 3.35 56.64 29.74 3.49 55.74 28.50 2 0 -18.61 -999 ? O1 UNL A 201s >ASP~A 77 9.11 50.92 28.75 8.95 52.41 30.28 9.03 51.66 29.51 2 0 16.71 -999 ? O4 SO4 B 2 >GLN~A 78 9.19 46.12 26.17 8.73 44.04 26.26 8.96 45.08 26.21 2 0 7.45 -999 ? O4 SO4 B 2 >ILE~A 79 5.24 50.47 22.50 3.84 50.42 22.19 4.54 50.44 22.34 3 0 9.58 -999 ? O1 UNL A 201 >VAL~A 80 8.63 53.29 22.62 8.24 55.11 23.80 8.44 54.20 23.21 3 0 12.43 -999 ? O1 UNL A 201 >PHE~A 81 14.01 50.31 23.76 16.76 49.84 23.62 15.39 50.08 23.69 3 0 13.51 -999 ? O8 UNL A 200 >ALA~A 82 11.47 49.65 19.61 10.56 48.44 19.50 11.01 49.05 19.56 2 0 8.29 -999 ? O8 UNL A 200 >HIS~A 83 7.30 52.73 17.67 5.49 51.77 17.22 6.39 52.25 17.44 3 0 6.18 -999 ? O1 UNL A 201 >THR~A 84 12.77 54.73 18.64 13.19 55.92 20.40 12.98 55.33 19.52 2 0 13.45 -999 ? O8 UNL A 200 >ALA~A 85 15.36 52.10 17.63 15.48 50.71 18.21 15.42 51.40 17.92 2 0 9.28 -999 ? O8 UNL A 200 >PHE~A 86 12.91 49.18 14.09 13.19 46.45 14.52 13.05 47.81 14.30 3 0 -3.86 -999 ? O8 UNL A 200s >LEU~A 87 12.37 56.24 14.19 10.31 56.67 13.64 11.34 56.46 13.92 3 0 10.53 -999 ? O3 UNL A 201 >THR~A 89 17.96 53.10 11.64 18.32 51.46 13.10 18.14 52.28 12.37 2 0 9.13 -999 ? O9 UNL A 200 >ILE.A 90 15.36 49.92 8.96 15.12 48.60 9.59 15.24 49.26 9.28 3 0 5.73 -999 ? O9 UNL A 200 >PHE.A 91 11.17 52.21 9.78 10.11 49.63 9.51 10.64 50.92 9.65 3 0 -4.87 -999 ? O7 UNL A 200s >LYS.A 92 15.08 57.10 9.39 19.22 55.19 8.20 17.15 56.15 8.79 2 0 12.81 -999 ? O8 UNL A 200 >ASP.A 93 15.04 58.13 4.83 16.84 59.04 5.39 15.94 58.58 5.11 2 0 15.44 -999 ? O7 UNL A 200 >CYH.A 94 10.81 56.13 5.69 9.51 53.66 5.57 10.16 54.90 5.63 2 0 9.00 -999 ? O7 UNL A 200 >LYS.A 95 7.64 58.19 5.54 9.44 63.32 6.66 8.54 60.75 6.10 2 0 16.74 -999 ? O3 UNL A 201 >GLN^A 96 4.90 55.04 7.72 4.39 53.43 9.01 4.64 54.23 8.37 2 0 6.18 -999 ? O1 UNL A 201 >GLU^A 97 0.24 59.43 2.41 0.80 59.59 0.44 0.52 59.51 1.43 2 0 15.58 -999 ? O1 SO4 A 3 >LEU^A 98 -3.20 58.85 6.83 -3.21 58.55 8.97 -3.21 58.70 7.90 3 0 13.42 -999 ? O1 UNL A 201 >VAL^A 99 -4.93 56.81 3.08 -4.47 55.53 1.38 -4.70 56.17 2.23 3 0 9.47 -999 ? O4 SO4 A 3 >THR^A 100 -8.06 55.86 5.08 -9.52 54.77 3.88 -8.79 55.31 4.48 2 0 6.43 -999 ? O4 SO4 A 3 >ILE^A 101 -8.77 56.79 9.77 -8.11 57.46 10.88 -8.44 57.12 10.33 3 0 11.08 -999 ? C3 BGOL A 6 >GLU^A 102 -12.35 52.42 7.17 -12.44 50.58 6.18 -12.40 51.50 6.68 2 0 5.39 -999 ? O4 SO4 A 3 >ALA^A 103 -12.78 54.20 13.16 -12.22 55.51 13.75 -12.50 54.86 13.45 2 0 6.12 -999 ? C3 BGOL A 6 >ARG^A 104 -16.58 49.56 14.02 -14.83 46.99 14.09 -15.70 48.28 14.05 2 0 -8.47 -999 ? O1 BGOL A 6s >THR^A 105 -16.88 52.92 18.88 -17.72 54.35 20.26 -17.30 53.63 19.57 2 0 -3.58 -999 ? O3 AGOL A 6s >ILE^A 106 -15.81 48.33 19.84 -14.42 48.01 19.58 -15.12 48.17 19.71 3 0 7.79 -999 ? O1 BGOL A 6 >ALA^A 107 -18.10 49.94 23.64 -17.35 48.97 24.57 -17.72 49.46 24.11 2 0 9.70 -999 ? O1 BGOL A 6 >PRO.A 108 -20.59 52.19 26.51 -18.60 52.43 25.48 -19.60 52.31 25.99 3 0 9.33 -999 ? O3 AGOL A 6 >GLY.A 109 -14.93 54.42 26.17 -15.12 53.91 25.61 -15.03 54.16 25.89 1 0 8.63 -999 ? O3 AGOL A 6 >SER^A 110 -13.44 52.14 23.51 -12.66 49.89 23.22 -13.05 51.02 23.37 2 0 10.13 -999 ? O3 AGOL A 6 >ALA^A 111 -12.64 53.02 19.89 -12.39 54.53 19.63 -12.52 53.77 19.76 2 0 5.90 -999 ? O3 BGOL A 6 >LEU^A 112 -11.85 49.39 17.11 -11.01 47.53 16.39 -11.43 48.46 16.75 3 0 9.52 -999 ? O1 AGOL A 6 >ALA^A 113 -9.64 51.88 13.91 -8.87 53.23 13.90 -9.26 52.56 13.91 2 0 9.64 -999 ? C3 BGOL A 6 >VAL^A 114 -8.49 49.99 10.83 -9.02 48.03 10.15 -8.75 49.01 10.49 3 0 8.61 -999 ? O3 SO4 A 3 >VAL^A 115 -6.03 52.31 9.09 -4.96 53.83 10.26 -5.49 53.07 9.67 3 0 10.39 -999 ? O3 SO4 A 3 >THR^A 116 -4.78 51.99 5.53 -5.76 51.16 3.83 -5.27 51.57 4.68 2 0 5.72 -999 ? O3 SO4 A 3 >LEU^A 117 -0.63 53.94 6.20 0.33 52.60 7.65 -0.15 53.27 6.93 3 0 8.71 -999 ? O1 UNL A 201 >ILE^A 118 1.15 54.56 0.99 0.94 54.67 -0.41 1.05 54.61 0.29 3 0 12.50 -999 ? O1 SO4 A 3 >GLN^A 119 6.29 52.05 5.40 6.60 50.48 6.81 6.44 51.27 6.10 2 0 5.47 -999 ? O3 UNL A 201 >ASP.A 120 8.95 55.16 2.14 8.36 57.15 1.81 8.66 56.16 1.97 2 0 13.73 -999 ? O3 UNL A 201 >ALA.A 121 10.39 51.47 0.64 11.07 51.47 -0.77 10.73 51.47 -0.07 2 0 11.83 -999 ? O6 UNL A 200 >TYR^A 122 11.68 49.61 5.05 10.02 47.52 5.94 10.85 48.56 5.50 3 0 -5.03 -999 ? O6 UNL A 200s >VAL^A 123 15.94 48.08 3.74 17.76 48.13 2.55 16.85 48.11 3.15 3 0 8.05 -999 ? O1 SO4 A 4 >THR.A 124 15.77 45.58 6.61 15.08 43.71 5.83 15.43 44.65 6.22 2 0 3.25 -999 ? O1 SO4 A 4s >PRO.A 125 17.04 45.46 10.82 18.03 45.37 8.81 17.53 45.41 9.81 3 0 3.62 -999 ? O4 SO4 A 4s >GLY.A 127 19.78 44.02 3.72 19.17 43.68 3.92 19.47 43.85 3.82 1 0 5.46 -999 ? O1 SO4 A 4 >ARG.A 128 15.02 39.87 3.98 15.88 36.95 4.22 15.45 38.41 4.10 2 0 4.64 -999 ? O1 SO4 A 4s >GLN^A 129 14.38 47.05 -2.02 14.99 48.86 -1.10 14.69 47.95 -1.56 2 0 11.22 -999 ? O1 SO4 A 4 >MET?A 130 11.21 46.10 1.13 10.65 43.44 3.17 10.93 44.77 2.15 2 0 6.15 -999 ? O5 UNL A 200 >PRO^A 131 7.78 45.78 -1.64 9.35 47.29 -1.05 8.56 46.54 -1.34 3 0 10.88 -999 ? O6 UNL A 200 >ARG^A 132 5.70 54.02 -2.92 4.98 56.65 -1.56 5.34 55.33 -2.24 2 0 15.89 -999 ? O3 UNL A 201 >ALA^A 133 3.50 49.17 0.02 3.87 47.80 0.72 3.69 48.49 0.37 2 0 10.96 -999 ? O6 UNL A 200 >HIS^A 134 -1.59 50.49 0.04 -2.06 51.83 -1.51 -1.82 51.16 -0.73 3 0 8.33 -999 ? O1 SO4 A 3 >ASP^A 135 0.86 49.08 6.38 2.92 49.08 6.00 1.89 49.08 6.19 2 0 6.53 -999 ? O3 UNL A 201 >ARG^A 136 -6.15 47.56 5.70 -6.37 47.34 2.62 -6.26 47.45 4.16 2 0 -3.21 -999 ? O3 SO4 A 3s >LEU^A 137 -2.07 50.10 10.90 -0.94 50.88 12.61 -1.50 50.49 11.76 3 0 6.05 -999 ? O1 UNL A 201 >THR^A 138 -5.29 48.15 13.70 -6.42 46.44 14.48 -5.85 47.30 14.09 2 0 10.90 -999 ? O1 UNL A 201 >LEU^A 139 -4.86 52.17 16.13 -2.80 52.88 15.77 -3.83 52.53 15.95 3 0 9.35 -999 ? O1 UNL A 201 >LEU^A 140 -7.27 49.16 20.52 -8.05 47.24 19.99 -7.66 48.20 20.25 3 0 13.38 -999 ? C3 BGOL A 6 >ALA^A 141 -7.89 53.46 22.05 -8.05 54.85 21.43 -7.97 54.15 21.74 2 0 10.21 -999 ? O3 AGOL A 6 >VAL^A 142 -9.54 53.40 25.45 -8.76 51.49 26.30 -9.15 52.45 25.88 3 0 12.20 -999 ? O3 AGOL A 6 >GLU^A 143 -12.38 58.21 27.89 -14.33 59.00 27.64 -13.36 58.60 27.76 2 0 9.79 -999 ? O3 AGOL A 6 >ARG^A 144 -7.11 53.73 31.30 -5.46 51.19 30.69 -6.29 52.46 30.99 2 0 18.23 -999 ? O3 AGOL A 6 >GLU^A 145 -9.05 58.52 35.44 -10.44 58.13 37.00 -9.75 58.32 36.22 2 0 19.80 -999 ? O3 AGOL A 6 >GLY^A 146 -11.96 61.27 30.48 -11.29 60.90 30.45 -11.63 61.08 30.47 1 0 13.74 -999 ? O3 AGOL A 6 >VAL^A 147 -8.70 60.96 28.49 -6.80 61.78 29.33 -7.75 61.37 28.91 3 0 14.78 -999 ? O3 AGOL A 6 >TRP^A 148 -11.09 60.21 24.66 -13.02 56.93 23.65 -12.06 58.57 24.15 3 0 7.92 -999 ? O3 AGOL A 6 >ARG^A 149 -2.31 57.99 27.24 -0.87 58.70 29.86 -1.59 58.34 28.55 2 0 -20.16 -999 ? O3 AGOL A 6s >PHE^A 150 -2.94 54.65 20.22 -3.29 56.05 17.83 -3.12 55.35 19.02 3 0 11.59 -999 ? O1 UNL A 201 >ILE^A 151 -5.04 50.07 25.02 -4.97 49.58 25.67 -5.01 49.83 25.35 3 0 15.46 -999 ? O1 UNL A 201 >HIS^A 152 -3.13 45.96 20.66 -2.31 44.19 19.87 -2.72 45.08 20.26 3 0 10.65 -999 ? O1 UNL A 201 >GLY^A 153 -1.56 48.48 17.63 -1.39 47.76 18.07 -1.48 48.12 17.85 1 0 7.39 -999 ? O1 UNL A 201 >HIS^A 154 -1.65 43.16 15.00 -1.09 41.19 14.54 -1.37 42.18 14.77 3 0 8.71 -999 ? O1 UNL A 201 >ASN^A 155 1.44 47.11 11.52 1.43 48.40 9.83 1.44 47.75 10.67 2 0 -4.13 -999 ? O1 UNL A 201s >THR^A 156 0.34 43.88 8.49 -0.90 42.09 8.49 -0.28 42.98 8.49 2 0 8.26 -999 ? O3 UNL B 201 >ILE^A 157 3.12 44.19 4.47 4.45 44.49 4.06 3.79 44.34 4.27 3 0 8.25 -999 ? O6 UNL A 200 >VAL^A 158 -0.98 44.40 2.27 -2.74 45.67 1.85 -1.86 45.04 2.06 3 0 7.97 -999 ? O3 SO4 A 3 >ASN^A 159 0.12 40.35 -0.15 1.20 39.31 -1.64 0.66 39.83 -0.90 2 0 5.79 -999 ? O3 UNL B 200 >PRO^A 160 1.26 43.93 -4.08 -0.61 43.19 -3.11 0.32 43.56 -3.59 3 0 9.36 -999 ? O3 UNL B 200 >ASP^A 161 0.52 39.13 -5.57 2.21 40.11 -6.28 1.36 39.62 -5.92 2 0 8.69 -999 ? O3 UNL B 200 >ALA^A 162 -3.33 38.53 -3.19 -2.98 38.26 -1.75 -3.15 38.39 -2.47 2 0 -3.30 -999 ? O3 UNL B 200s >ALA^A 163 -5.94 41.30 -3.13 -5.66 42.79 -3.28 -5.80 42.04 -3.20 2 0 7.04 -999 ? O1 SO4 A 3 >ASN^A 164 -7.80 40.27 -7.58 -7.48 42.22 -8.34 -7.64 41.24 -7.96 2 0 10.07 -999 ? O1 SO4 A 3 >ASN^A 165 -7.60 35.73 -4.52 -6.73 35.52 -6.45 -7.16 35.63 -5.48 2 0 5.40 -999 ? O1 UNL B 200 >ASP^A 166 -10.38 39.79 -1.04 -11.29 40.23 0.82 -10.83 40.01 -0.11 2 0 6.60 -999 ? O2 SO4 A 3 >PRO^A 167 -12.41 34.96 0.53 -12.91 36.45 -1.04 -12.66 35.71 -0.25 3 0 6.71 -999 ? O4 SO4 A 1 >VAL^A 168 -15.77 39.00 0.07 -14.96 40.01 1.82 -15.37 39.50 0.95 3 0 8.30 -999 ? O2 SO4 A 3 >LEU^A 169 -14.30 40.66 -4.27 -12.74 42.18 -3.89 -13.52 41.42 -4.08 3 0 7.29 -999 ? O4 SO4 A 1 >ARG^A 170 -17.63 34.07 -4.63 -15.31 32.69 -3.09 -16.47 33.38 -3.86 2 0 -3.99 -999 ? O4 SO4 A 1s >MET?A 171 -20.68 38.61 -1.86 -20.57 38.91 2.56 -20.62 38.76 0.35 2 0 11.53 -999 ? O4 SO4 A 1 >LYS^A 172 -24.11 40.13 -2.88 -24.06 44.15 -0.52 -24.08 42.14 -1.70 2 0 12.92 -999 ? O2 SO4 A 3 >GLY^B 30 -9.66 37.48 35.81 -9.65 36.79 35.40 -9.65 37.13 35.61 1 0 21.40 -999 ? O3 SO4 B 2 >GLU^B 31 -14.65 38.26 36.19 -13.21 39.04 37.57 -13.93 38.65 36.88 2 0 23.60 -999 ? O4 SO4 B 5 >GLY^B 32 -12.12 38.96 30.86 -11.76 38.33 31.25 -11.94 38.64 31.06 1 0 18.93 -999 ? O4 SO4 B 5 >THR^B 33 -9.12 36.68 30.56 -7.60 36.25 32.15 -8.36 36.46 31.35 2 0 17.61 -999 ? O3 SO4 B 2 >ASP^B 34 -12.02 33.13 32.58 -10.84 32.77 34.28 -11.43 32.95 33.43 2 0 21.70 -999 ? O3 SO4 B 2 >ALA^B 35 -13.94 34.56 28.82 -14.80 35.81 28.90 -14.37 35.18 28.86 2 0 15.86 -999 ? O4 SO4 B 5 >ILE^B 36 -10.66 36.55 25.74 -9.51 37.27 25.23 -10.08 36.91 25.48 3 0 16.16 -999 ? O1 UNL B 201 >GLN^B 37 -7.91 32.42 28.64 -5.94 31.89 28.11 -6.92 32.16 28.37 2 0 14.91 -999 ? O3 SO4 B 2 >ALA^B 38 -12.83 30.10 26.00 -14.11 30.15 26.84 -13.47 30.12 26.42 2 0 16.84 -999 ? O4 SO4 B 5 >LEU^B 39 -13.75 33.57 22.68 -15.59 34.71 22.89 -14.67 34.14 22.78 3 0 12.70 -999 ? O4 SO4 B 5 >ILE^B 40 -8.63 31.85 22.30 -7.46 32.56 22.44 -8.05 32.20 22.37 3 0 13.03 -999 ? O1 UNL B 201 >GLN^B 41 -9.39 27.08 24.52 -7.51 26.28 23.96 -8.45 26.68 24.24 2 0 16.82 -999 ? O1 UNL B 201 >ALA^B 42 -13.60 27.70 20.28 -14.89 28.44 20.74 -14.25 28.07 20.51 2 0 14.79 -999 ? O4 SO4 B 5 >TYR^B 43 -10.87 31.48 16.11 -9.92 32.39 13.66 -10.39 31.93 14.88 3 0 7.40 -999 ? O1 UNL B 201 >PHE^B 44 -7.15 28.56 17.33 -5.98 30.94 16.57 -6.56 29.75 16.95 3 0 9.05 -999 ? O1 UNL B 201 >THR^B 45 -11.46 24.15 17.33 -12.31 23.01 18.92 -11.88 23.58 18.13 2 0 16.51 -999 ? O1 UNL B 201 >ALA^B 46 -13.74 25.55 14.55 -14.51 26.88 14.56 -14.13 26.21 14.55 2 0 12.80 -999 ? O1 UNL B 201 >TRP^B 47 -7.56 26.24 11.17 -7.66 29.66 9.28 -7.61 27.95 10.23 3 0 7.58 -999 ? O1 UNL B 201 >ASN^B 48 -8.14 22.50 14.15 -6.44 23.76 14.36 -7.29 23.13 14.25 2 0 12.45 -999 ? O1 UNL B 201 >THR^B 49 -12.14 20.68 12.61 -13.06 20.74 14.58 -12.60 20.71 13.59 2 0 16.85 -999 ? O1 UNL B 201 >ASN^B 50 -13.01 21.59 8.28 -10.95 21.58 7.70 -11.98 21.58 7.99 2 0 14.64 -999 ? O2 UNL B 201 >ALA^B 51 -16.50 23.76 11.15 -16.78 23.15 12.54 -16.64 23.45 11.84 2 0 16.41 -999 ? O1 UNL B 201 >PRO^B 52 -16.61 26.56 7.75 -16.59 26.65 9.96 -16.60 26.61 8.85 3 0 13.67 -999 ? O1 UNL B 201 >GLU^B 53 -21.29 25.00 11.15 -19.82 23.61 10.45 -20.56 24.30 10.80 2 0 15.89 -999 ? O1 SO4 B 5 >ARG^B 54 -18.19 24.56 15.89 -17.76 21.72 16.86 -17.98 23.14 16.37 2 0 17.71 -999 ? O1 SO4 B 5 >PHE^B 55 -15.49 30.90 12.47 -13.07 29.51 12.05 -14.28 30.20 12.26 3 0 9.91 -999 ? O1 UNL B 201 >ALA^B 56 -20.92 33.16 13.69 -22.14 32.89 12.85 -21.53 33.02 13.27 2 0 6.63 -999 ? O1 SO4 B 5 >GLU^B 57 -22.68 30.00 16.96 -24.56 30.95 17.25 -23.62 30.47 17.10 2 0 6.64 -999 ? O1 SO4 B 5 >ILE^B 58 -17.02 32.83 18.75 -16.28 31.55 18.58 -16.65 32.19 18.66 3 0 10.73 -999 ? O4 SO4 B 5 >PHE^B 59 -16.56 36.79 15.00 -13.92 35.95 14.51 -15.24 36.37 14.75 3 0 10.35 -999 ? O1 UNL B 201 >TRP^B 60 -18.84 41.37 20.31 -22.04 40.11 22.22 -20.44 40.74 21.26 3 0 6.73 -999 ? O4 SO4 B 5 >PRO^B 61 -24.33 41.18 15.52 -22.20 41.12 14.89 -23.26 41.15 15.21 3 0 -4.11 -999 ? O4 SO4 B 5s >ASP^B 62 -20.66 45.71 14.94 -20.69 45.43 17.04 -20.68 45.57 15.99 2 0 8.39 -999 ? O1 BGOL A 6 >GLY^B 63 -16.96 42.54 14.26 -17.30 42.89 13.60 -17.13 42.72 13.93 1 0 9.88 -999 ? O4 SO4 B 5 >SER^B 64 -14.03 43.13 11.92 -13.14 45.15 13.04 -13.58 44.14 12.48 2 0 11.15 -999 ? O1 BGOL A 6 >TRP^B 65 -9.33 38.43 9.75 -9.63 36.49 13.19 -9.48 37.46 11.47 3 0 -4.22 -999 ? O1 UNL B 201s >VAL^B 66 -7.52 41.88 9.13 -6.55 43.81 8.97 -7.03 42.85 9.05 3 0 7.56 -999 ? O1 UNL B 201 >ASN^B 67 -6.48 37.79 6.79 -6.00 38.02 4.73 -6.24 37.91 5.76 2 0 4.27 -999 ? O3 UNL B 201s >VAL^B 68 -2.09 37.90 7.10 -1.80 35.76 7.28 -1.94 36.83 7.19 3 0 3.48 -999 ? O3 UNL B 201s >VAL^B 69 -2.11 39.57 3.66 -2.48 37.91 2.24 -2.29 38.74 2.95 3 0 -4.56 -999 ? O5 UNL B 200s >GLY^B 70 -3.96 42.71 4.84 -4.37 42.12 4.53 -4.17 42.41 4.68 1 0 7.66 -999 ? O3 SO4 A 3 >MET?B 71 -7.48 41.80 3.63 -7.75 38.20 1.42 -7.62 40.00 2.52 2 0 -4.40 -999 ? O9 UNL B 200s >HIS^B 72 -10.55 46.11 6.66 -11.67 47.40 7.88 -11.11 46.76 7.27 3 0 5.43 -999 ? O3 SO4 A 3 >TRP^B 73 -12.56 40.29 4.33 -10.41 37.25 5.55 -11.48 38.77 4.94 3 0 7.84 -999 ? O8 UNL B 200 >ARG^B 74 -15.30 47.44 5.39 -12.90 47.90 3.42 -14.10 47.67 4.41 2 0 -3.19 -999 ? O4 SO4 A 3s >GLY^B 75 -18.91 42.94 9.75 -18.22 42.50 9.56 -18.57 42.72 9.66 1 0 10.97 -999 ? O4 SO4 B 5 >ARG^B 76 -21.14 37.12 13.52 -24.05 37.45 14.46 -22.60 37.28 13.99 2 0 -2.71 -999 ? O1 SO4 B 5s >ASP^B 77 -22.23 38.87 6.82 -24.09 38.67 7.77 -23.16 38.77 7.29 2 0 8.35 -999 ? O1 SO4 B 5 >GLN^B 78 -18.05 41.37 4.52 -17.17 43.24 3.96 -17.61 42.30 4.24 2 0 7.46 -999 ? O2 SO4 A 3 >ILE^B 79 -15.61 37.87 9.94 -15.04 38.31 11.18 -15.33 38.09 10.56 3 0 9.58 -999 ? O1 UNL B 201 >VAL^B 80 -17.51 34.28 8.31 -19.13 33.46 9.54 -18.32 33.87 8.92 3 0 11.03 -999 ? O1 SO4 B 5 >PHE^B 81 -18.66 34.97 2.21 -18.90 34.22 -0.46 -18.78 34.59 0.87 3 0 8.38 -999 ? O4 SO4 A 1 >ALA^B 82 -14.11 34.70 4.03 -13.31 35.99 4.30 -13.71 35.35 4.17 2 0 8.16 -999 ? O8 UNL B 200 >HIS^B 83 -12.57 33.03 9.13 -11.41 34.33 10.32 -11.99 33.68 9.72 3 0 6.07 -999 ? O1 UNL B 201 >THR^B 84 -15.54 29.70 5.21 -17.67 29.35 5.46 -16.60 29.52 5.34 2 0 13.41 -999 ? O4 SO4 A 1 >ALA^B 85 -14.24 30.30 1.66 -14.28 31.63 0.91 -14.26 30.97 1.28 2 0 8.04 -999 ? O4 SO4 A 1 >PHE^B 86 -9.41 32.03 2.46 -8.78 34.30 0.95 -9.09 33.17 1.70 3 0 -3.85 -999 ? O8 UNL B 200s >LEU^B 87 -12.13 26.69 6.23 -11.25 27.06 8.21 -11.69 26.88 7.22 3 0 10.38 -999 ? O2 UNL B 201 >LYS^B 88 -13.13 25.11 1.92 -16.70 23.30 -1.65 -14.92 24.21 0.13 2 0 11.61 -999 ? O3 SO4 A 1 >THR^B 89 -10.09 25.75 -0.31 -10.86 27.52 -1.30 -10.47 26.64 -0.81 2 0 9.37 -999 ? O9 UNL B 200 >ILE^B 90 -5.86 28.13 0.42 -5.92 29.61 0.10 -5.89 28.87 0.26 3 0 5.82 -999 ? O9 UNL B 200 >PHE^B 91 -6.43 28.27 5.22 -4.97 30.67 4.99 -5.70 29.47 5.11 3 0 5.05 -999 ? O7 UNL B 200 >LYS^B 92 -8.90 22.66 4.12 -8.58 22.26 -1.10 -8.74 22.46 1.51 2 0 12.92 -999 ? O8 UNL B 200 >ASP^B 93 -5.11 19.78 4.49 -6.40 18.57 3.33 -5.76 19.17 3.91 2 0 15.63 -999 ? O7 UNL B 200 >CYH^B 94 -4.10 23.59 7.20 -2.72 26.00 7.09 -3.41 24.79 7.14 2 0 9.01 -999 ? O7 UNL B 200 >LYS^B 95 -4.04 23.35 11.00 -7.97 20.73 9.40 -6.00 22.04 10.20 2 0 14.66 -999 ? O2 UNL B 201 >GLN^B 96 -4.07 27.91 12.02 -4.59 29.94 11.79 -4.33 28.93 11.90 2 0 5.97 -999 ? O1 UNL B 201 >GLU^B 97 0.18 23.64 18.11 2.08 22.64 18.13 1.13 23.14 18.12 2 0 14.89 -999 ? O1 SO4 B 2 >LEU^B 98 -3.02 27.23 20.84 -4.75 28.46 20.98 -3.88 27.84 20.91 3 0 13.56 -999 ? O1 UNL B 201 >VAL^B 99 1.50 27.95 21.40 3.44 28.09 20.33 2.47 28.02 20.86 3 0 9.67 -999 ? O3 SO4 B 2 >THR^B 100 0.82 30.87 23.76 2.71 31.69 24.53 1.77 31.28 24.14 2 0 6.56 -999 ? O3 SO4 B 2 >ILE^B 101 -3.49 32.50 25.14 -4.84 32.14 24.94 -4.17 32.32 25.04 3 0 12.40 -999 ? O3 SO4 B 2 >GLU^B 102 1.25 36.37 26.39 3.09 37.39 26.18 2.17 36.88 26.28 2 0 5.58 -999 ? O3 SO4 B 2 >ALA^B 103 -4.60 37.79 27.47 -5.78 36.77 27.60 -5.19 37.28 27.53 2 0 14.08 -999 ? O3 SO4 B 2 >ARG^B 104 -2.73 43.44 28.71 -2.23 44.83 25.96 -2.48 44.14 27.33 2 0 13.10 -999 ? O2 SO4 B 2 >THR^B 105 -8.19 43.16 30.57 -9.70 43.11 32.09 -8.94 43.14 31.33 2 0 20.72 -999 ? O3 SO4 B 2 >ILE^B 106 -7.64 46.73 27.42 -7.54 46.31 26.11 -7.59 46.52 26.77 3 0 16.90 -999 ? O3 AGOL A 6 >ALA^B 107 -11.31 48.16 30.14 -11.91 48.96 28.99 -11.61 48.56 29.56 2 0 14.59 -999 ? O3 AGOL A 6 >PRO^B 108 -14.29 48.79 33.32 -13.81 47.27 31.78 -14.05 48.03 32.55 3 0 17.26 -999 ? O3 AGOL A 6 >GLY^B 109 -15.90 44.33 29.63 -15.18 44.60 29.54 -15.54 44.46 29.58 1 0 16.62 -999 ? O1 BGOL A 6 >SER^B 110 -12.92 44.41 27.20 -13.62 46.45 26.03 -13.27 45.43 26.62 2 0 13.42 -999 ? O1 BGOL A 6 >ALA^B 111 -10.20 41.74 26.93 -10.64 40.36 27.46 -10.42 41.05 27.20 2 0 17.98 -999 ? O4 SO4 B 5 >LEU^B 112 -6.53 43.03 24.48 -5.43 43.82 22.81 -5.98 43.42 23.64 3 0 14.80 -999 ? O2 SO4 B 2 >ALA^B 113 -5.16 38.66 23.65 -5.85 37.28 23.59 -5.51 37.97 23.62 2 0 13.23 -999 ? O2 SO4 B 2 >VAL^B 114 -1.97 38.34 21.62 -0.44 39.81 21.14 -1.20 39.07 21.38 3 0 8.60 -999 ? O2 SO4 B 2 >VAL^B 115 -1.87 34.70 20.49 -3.72 33.53 20.34 -2.79 34.12 20.41 3 0 10.39 -999 ? O2 SO4 B 2 >THR^B 116 1.17 32.87 19.10 3.23 33.17 19.53 2.20 33.02 19.31 2 0 5.75 -999 ? O2 SO4 B 2 >LEU^B 117 -1.11 30.03 16.14 -2.74 31.38 16.05 -1.93 30.71 16.10 3 0 8.86 -999 ? O1 UNL B 201 >ILE^B 118 2.85 26.43 14.84 4.10 25.78 15.10 3.47 26.11 14.97 3 0 12.56 -999 ? O1 SO4 B 2 >GLN^B 119 -1.22 28.48 9.25 -2.01 30.20 8.33 -1.61 29.34 8.79 2 0 5.57 -999 ? O3 UNL B 201 >ASP^B 120 -0.12 23.45 8.25 -0.49 22.06 9.83 -0.30 22.75 9.04 2 0 13.78 -999 ? O3 UNL B 201 >ALA^B 121 2.22 25.24 5.10 3.29 24.38 4.39 2.76 24.81 4.75 2 0 11.71 -999 ? O6 UNL B 200 >TYR^B 122 -1.31 28.18 3.37 -0.91 30.87 3.95 -1.11 29.53 3.66 3 0 -5.04 -999 ? O6 UNL B 200s >VAL^B 123 -0.66 27.25 -1.20 -0.10 26.00 -2.92 -0.38 26.63 -2.06 3 0 8.74 -999 ? O3 UNL B 200 >THR^B 124 -2.30 30.59 -1.92 -0.72 32.11 -2.12 -1.51 31.35 -2.02 2 0 -3.61 -999 ? O3 UNL B 200s >PRO^B 125 -6.33 32.19 -2.76 -4.75 31.02 -3.83 -5.54 31.61 -3.29 3 0 -4.19 -999 ? O1 UNL B 200s >ASP^B 126 -2.34 33.74 -7.10 -1.20 34.37 -5.43 -1.77 34.05 -6.27 2 0 4.54 -999 ? O3 UNL B 200 >GLY^B 127 -0.30 29.36 -6.45 -0.13 29.97 -6.03 -0.22 29.67 -6.24 1 0 8.08 -999 ? O3 UNL B 200 >ARG^B 128 2.72 34.57 -4.44 0.72 35.36 -2.16 1.72 34.97 -3.30 2 0 -3.52 -999 ? O3 UNL B 200s >GLN^B 129 5.24 26.33 -0.59 3.67 24.90 -0.33 4.45 25.62 -0.46 2 0 11.66 -999 ? O5 UNL B 200 >MET?B 130 3.58 29.57 2.02 2.94 32.83 1.49 3.26 31.20 1.75 2 0 5.95 -999 ? O5 UNL B 200 >PRO^B 131 7.06 29.76 4.76 5.50 28.26 4.09 6.28 29.01 4.43 3 0 10.74 -999 ? O6 UNL B 200 >ARG^B 132 5.91 23.73 10.56 7.29 24.57 13.22 6.60 24.15 11.89 2 0 13.67 -999 ? O1 SO4 B 2 >ALA^B 133 5.29 29.54 10.24 5.18 30.78 9.33 5.24 30.16 9.79 2 0 10.92 -999 ? O6 UNL B 200 >HIS^B 134 5.87 30.33 15.43 6.79 28.70 16.39 6.33 29.51 15.91 3 0 8.45 -999 ? O1 SO4 B 2 >ASP^B 135 0.27 33.46 12.80 0.18 32.49 10.93 0.23 32.97 11.86 2 0 6.59 -999 ? O3 UNL B 201 >ARG^B 136 3.04 37.13 18.37 5.93 35.96 18.35 4.48 36.55 18.36 2 0 -3.25 -999 ? O2 SO4 B 2s >LEU^B 137 -3.51 35.79 16.02 -5.60 35.53 15.36 -4.56 35.66 15.69 3 0 6.04 -999 ? O1 UNL B 201 >THR^B 138 -4.55 39.88 18.01 -4.35 42.04 18.23 -4.45 40.96 18.12 2 0 10.83 -999 ? O1 UNL B 201 >LEU^B 139 -8.31 37.51 19.60 -8.60 35.93 18.16 -8.45 36.72 18.88 3 0 9.39 -999 ? O1 UNL B 201 >LEU^B 140 -10.25 42.92 20.43 -10.51 44.76 21.56 -10.38 43.84 20.99 3 0 14.18 -999 ? O1 BGOL A 6 >ALA^B 141 -13.39 40.44 22.92 -13.35 39.12 23.65 -13.37 39.78 23.28 2 0 13.58 -999 ? O4 SO4 B 5 >VAL^B 142 -16.07 42.67 24.41 -16.23 44.29 22.93 -16.15 43.48 23.67 3 0 12.30 -999 ? O4 SO4 B 5 >GLU^B 143 -19.61 40.90 29.12 -19.23 40.63 31.18 -19.42 40.76 30.15 2 0 15.30 -999 ? O4 SO4 B 5 >ARG^B 144 -22.09 44.02 22.49 -20.85 45.09 19.84 -21.47 44.55 21.16 2 0 8.50 -999 ? O4 SO4 B 5 >GLU^B 145 -27.19 43.05 27.40 -29.09 42.88 26.51 -28.14 42.97 26.95 2 0 10.59 -999 ? O3 SO4 B 5 >GLY^B 146 -23.12 39.23 30.24 -23.06 39.29 29.49 -23.09 39.26 29.86 1 0 13.12 -999 ? O4 SO4 B 5 >VAL^B 147 -21.84 37.47 27.11 -23.18 36.15 25.92 -22.51 36.81 26.51 3 0 9.72 -999 ? O4 SO4 B 5 >TRP^B 148 -17.54 37.64 28.73 -14.90 40.54 28.85 -16.22 39.09 28.79 3 0 14.67 -999 ? O4 SO4 B 5 >ARG^B 149 -21.07 36.89 20.13 -23.99 36.26 19.54 -22.53 36.58 19.83 2 0 -3.31 -999 ? O4 SO4 B 5s >PHE^B 150 -13.24 36.80 19.04 -11.66 34.78 20.09 -12.45 35.79 19.56 3 0 11.55 -999 ? O1 UNL B 201 >ILE^B 151 -15.35 43.48 18.91 -15.72 44.14 18.62 -15.53 43.81 18.76 3 0 10.91 -999 ? O1 BGOL A 6 >HIS^B 152 -10.37 43.98 15.26 -9.19 44.69 13.68 -9.78 44.34 14.47 3 0 10.69 -999 ? O1 UNL B 201 >GLY^B 153 -8.94 40.00 14.99 -9.09 40.68 14.49 -9.02 40.34 14.74 1 0 7.42 -999 ? O1 UNL B 201 >HIS^B 154 -4.53 43.05 12.55 -3.47 44.21 11.16 -4.00 43.63 11.85 3 0 8.76 -999 ? O1 UNL B 201 >ASN^B 155 -3.64 37.09 11.48 -2.60 35.33 12.06 -3.12 36.21 11.77 2 0 -4.18 -999 ? O1 UNL B 201s >THR^B 156 0.57 38.79 11.02 1.54 40.72 11.22 1.06 39.75 11.12 2 0 8.09 -999 ? O2 UNL A 201 >ILE^B 157 3.38 35.65 8.57 3.34 34.72 7.46 3.36 35.18 8.02 3 0 8.21 -999 ? O6 UNL B 200 >VAL^B 158 6.12 35.98 12.28 6.40 35.51 14.40 6.26 35.75 13.34 3 0 7.98 -999 ? O2 SO4 B 2 >ASN^B 159 9.64 37.68 9.40 11.21 37.47 7.98 10.42 37.57 8.69 2 0 4.97 -999 ? O3 SO4 A 4 >PRO^B 160 11.41 32.53 9.97 11.34 34.34 11.27 11.38 33.44 10.62 3 0 8.40 -999 ? O3 SO4 A 4 >ASP^B 161 14.85 36.12 8.37 14.62 34.39 7.17 14.74 35.25 7.77 2 0 -5.91 -999 ? O2 SO4 A 4s >ALA^B 162 13.76 39.24 11.30 12.48 39.97 10.88 13.12 39.60 11.09 2 0 3.45 -999 ? O3 UNL A 200s >ALA^B 163 13.24 38.07 14.93 12.75 36.67 15.40 12.99 37.37 15.16 2 0 7.13 -999 ? O1 SO4 B 2 >ASN^B 164 18.03 37.63 16.08 17.86 35.79 17.27 17.94 36.71 16.68 2 0 9.50 -999 ? O2 SO4 A 4 >ASN^B 165 16.30 42.79 13.70 17.53 41.96 12.20 16.92 42.37 12.95 2 0 3.58 -999 ? O4 SO4 A 4s >ASP^B 166 13.02 41.85 18.45 11.43 42.65 19.56 12.23 42.25 19.00 2 0 6.34 -999 ? O4 SO4 B 2 >PRO^B 167 14.21 47.24 17.99 14.82 45.51 19.24 14.51 46.38 18.61 3 0 7.69 -999 ? O9 UNL A 200 >VAL^B 168 13.59 44.87 23.01 11.49 44.36 22.77 12.54 44.62 22.89 3 0 7.84 -999 ? O4 SO4 B 2 >LEU^B 169 16.73 41.22 22.07 15.72 39.44 21.28 16.22 40.33 21.68 3 0 7.70 -999 ? O4 SO4 B 2 >MET?B 171 16.95 46.88 26.67 12.82 47.60 26.16 14.89 47.24 26.41 2 0 11.28 -999 ? O4 SO4 B 2