REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 04-SEP-07 2R5S COMPND UNCHARACTERIZED PROTEIN VP0806; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: DOMAIN: RESIDUES 112-284; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PARAHAEMOLYTICUS; SOURCE 3 ORGANISM_TAXID: 223926; SOURCE 4 STRAIN: RIMD 2210633; SOURCE 5 GENE: VP0806; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR K.TAN,R.WU,J.ABDULLAH,L.FREEMAN,A.JOACHIMIAK,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) HET MSE A 259 8 HET MSE B 259 8 HET ACT B 1 4 HET MES A 4 12 HET EDO A 2 4 HET EDO A 3 4 HET MES B 285 12 HET MES B 2 12 HET MES B 3 12 HET EDO B 286 4 SITE 1 AC1 5 GLU B 237 ASN B 241 LYS B 244 TYR B 284 SITE 1 AC2 6 LEU A 118 VAL A 121 SER A 122 ASP A 149 SITE 1 AC3 7 LYS A 274 ARG A 277 GLN A 278 TYR A 280 SITE 1 AC4 5 HIS A 193 ALA A 196 GLN A 228 VAL A 229 SITE 1 AC5 5 EDO A 2 LYS A 274 TYR A 280 LEU B 192 SITE 1 AC6 4 EDO A 3 HIS A 193 LYS B 274 TYR B 280 SITE 1 AC7 4 LEU B 118 LYS B 119 SER B 122 ASP B 149 SITE 1 AC8 3 VAL B 245 ASN B 246 LEU B 247 >ASP.A 114 16.75 83.36 32.96 18.59 82.25 32.55 17.67 82.80 32.76 2 0 11.20 -999 ? C3 MES A 4 >GLU.A 115 10.87 86.83 32.93 10.53 88.63 31.87 10.70 87.73 32.40 2 0 9.22 -999 ? O2S MES A 4 >GLN~A 116 7.93 82.66 30.50 7.17 84.62 30.76 7.55 83.64 30.63 2 0 9.12 -999 ? O2S MES A 4 >LEU~A 117 13.20 79.28 32.46 13.86 78.13 30.74 13.53 78.70 31.60 3 0 9.58 -999 ? O3S MES A 4 >LEU~A 118 12.34 81.76 37.06 14.27 81.84 38.03 13.31 81.80 37.54 3 0 -4.39 -999 ? O3S MES A 4s >LYS~A 119 7.93 80.56 36.44 2.62 84.13 37.19 5.27 82.34 36.82 2 0 6.83 -999 ? O1S MES A 4 >GLN~A 120 7.94 76.62 32.20 7.10 74.64 32.10 7.52 75.63 32.15 2 0 10.67 -999 ? O3S MES A 4 >VAL~A 121 10.01 75.85 37.69 12.05 75.84 38.44 11.03 75.84 38.07 3 0 -4.49 -999 ? C6 MES A 4s >SER~A 122 7.63 77.63 40.03 6.30 79.53 40.77 6.96 78.58 40.40 2 0 -3.40 -999 ? O1S MES A 4s >GLU~A 123 3.77 77.89 36.49 1.67 78.01 36.76 2.72 77.95 36.63 2 0 8.87 -999 ? O1S MES A 4 >LEU~A 124 7.44 72.35 37.35 7.49 71.82 35.17 7.46 72.08 36.26 3 0 9.42 -999 ? C6 MES A 4 >LEU~A 125 7.89 73.58 42.61 10.00 73.64 42.91 8.94 73.61 42.76 3 0 5.91 -999 ? C6 MES A 4 >GLN~A 126 1.67 75.70 42.81 -0.15 74.63 43.24 0.76 75.16 43.02 2 0 11.43 -999 ? O1S MES A 4 >GLN~A 127 2.16 72.08 38.70 1.70 71.94 36.64 1.93 72.01 37.67 2 0 12.82 -999 ? O3S MES A 4 >GLY.A 128 4.65 68.18 42.37 4.65 68.44 41.63 4.65 68.31 42.00 1 0 12.69 -999 ? C6 MES A 4 >GLU~A 129 4.70 67.95 37.46 4.26 65.94 36.77 4.48 66.95 37.12 2 0 15.49 -999 ? C6 MES A 4 >HIS~A 130 9.35 67.11 43.10 7.94 67.62 44.59 8.65 67.36 43.85 3 0 11.96 -999 ? C6 MES A 4 >ALA~A 131 11.66 65.75 37.87 11.42 64.32 37.53 11.54 65.04 37.70 2 0 14.90 -999 ? C6 MES A 4 >GLN~A 132 8.49 67.40 33.77 6.44 67.71 33.21 7.46 67.55 33.49 2 0 14.71 -999 ? C6 MES A 4 >ALA~A 133 11.34 71.06 37.52 10.76 71.24 38.94 11.05 71.15 38.23 2 0 7.91 -999 ? C6 MES A 4 >LEU~A 134 15.32 68.27 38.41 16.26 67.67 40.28 15.79 67.97 39.35 3 0 11.38 -999 ? O1 MES A 4 >ASN~A 135 14.21 68.56 33.25 14.81 68.63 31.23 14.51 68.60 32.24 2 0 14.69 -999 ? C6 MES A 4 >VAL~A 136 14.11 73.07 33.63 12.23 74.07 33.32 13.17 73.57 33.48 3 0 9.61 -999 ? C6 MES A 4 >ILE~A 137 16.76 73.44 37.73 16.63 74.57 38.54 16.69 74.00 38.14 3 0 7.07 -999 ? O1 MES A 4 >GLN~A 138 19.04 69.79 34.17 19.44 69.08 32.15 19.24 69.44 33.16 2 0 15.16 -999 ? O1 MES A 4 >THR~A 139 18.61 74.50 31.58 16.62 74.09 30.78 17.62 74.30 31.18 2 0 12.63 -999 ? O1 MES A 4 >LEU.A 140 18.55 78.34 34.72 16.56 78.42 35.70 17.56 78.38 35.21 3 0 8.14 -999 ? O1 MES A 4 >SER~A 141 22.29 79.88 33.14 21.34 81.96 34.00 21.82 80.92 33.57 2 0 11.79 -999 ? C2 MES A 4 >ASP~A 142 26.43 78.41 35.39 26.85 76.98 33.91 26.64 77.70 34.65 2 0 16.08 -999 ? O1 MES A 4 >GLU~A 143 26.19 83.73 35.95 26.16 83.44 33.83 26.18 83.59 34.89 2 0 15.79 -999 ? C2 MES A 4 >LEU~A 144 19.87 81.79 36.84 17.85 82.59 37.41 18.86 82.19 37.13 3 0 7.96 -999 ? C3 MES A 4 >GLN~A 145 21.32 76.32 36.94 22.01 74.56 36.06 21.66 75.44 36.50 2 0 11.50 -999 ? O1 MES A 4 >SER~A 146 23.65 79.02 41.70 25.26 80.76 41.43 24.46 79.89 41.57 2 0 11.88 -999 ? C2 MES A 4 >ARG~A 147 18.87 84.42 41.67 15.91 84.97 41.18 17.39 84.69 41.42 2 0 5.13 -999 ? C3 MES A 4 >GLY~A 148 20.52 80.58 46.53 19.92 80.76 45.97 20.22 80.67 46.25 1 0 8.13 -999 ? C2 MES A 4 >ASP~A 149 15.67 81.51 45.78 15.92 82.59 43.92 15.79 82.05 44.85 2 0 -3.87 -999 ? C2 MES A 4s >VAL~A 150 17.15 78.15 42.92 17.23 78.53 40.76 17.19 78.34 41.84 3 0 4.11 -999 ? C2 MES A 4 >LYS~A 151 19.38 75.89 44.99 25.46 77.33 46.00 22.42 76.61 45.49 2 0 12.76 -999 ? C2 MES A 4 >LEU~A 152 16.00 76.53 48.43 17.32 77.52 49.93 16.66 77.02 49.18 3 0 7.93 -999 ? C2 MES A 4 >ALA~A 153 14.18 74.57 44.81 14.04 75.51 43.54 14.11 75.04 44.17 2 0 -3.68 -999 ? O1 MES A 4s >LYS~A 154 16.68 72.07 43.34 22.26 70.83 40.21 19.47 71.45 41.77 2 0 12.24 -999 ? O1 MES A 4 >ALA~A 155 17.36 70.60 46.83 17.81 71.37 47.99 17.59 70.99 47.41 2 0 10.60 -999 ? O1 MES A 4 >ASP~A 156 12.62 71.23 47.37 10.71 70.68 47.91 11.66 70.96 47.64 2 0 10.24 -999 ? O1 MES A 4 >CYH~A 157 13.45 68.39 44.04 12.46 70.28 42.18 12.95 69.34 43.11 2 0 8.44 -999 ? O1 MES A 4 >LEU~A 158 17.75 66.45 45.07 19.19 67.01 43.60 18.47 66.73 44.33 3 0 13.35 -999 ? O1 MES A 4 >LEU~A 159 14.69 65.99 49.14 15.19 66.11 51.12 14.94 66.05 50.13 3 0 9.83 -999 ? C1 EDO A 3 >GLU~A 160 10.01 66.64 46.91 9.09 65.92 48.68 9.55 66.28 47.80 2 0 11.09 -999 ? C1 EDO A 3 >THR~A 161 12.93 62.24 43.99 13.52 63.60 42.52 13.23 62.92 43.26 2 0 13.26 -999 ? C1 EDO A 3 >LYS.A 162 14.87 60.34 46.63 12.42 56.25 49.37 13.64 58.30 48.00 2 0 4.96 -999 ? C1 EDO A 3 >GLN~A 163 17.56 61.81 43.16 18.08 62.66 41.28 17.82 62.24 42.22 2 0 14.62 -999 ? O1 EDO A 3 >PHE~A 164 17.71 60.72 50.46 15.06 59.99 50.72 16.39 60.35 50.59 3 0 5.36 -999 ? O1 EDO A 3 >GLU~A 165 25.32 61.32 48.00 26.21 60.25 49.54 25.76 60.79 48.77 2 0 12.92 -999 ? O1 EDO A 3 >LEU~A 166 22.22 64.55 44.41 23.25 64.02 42.52 22.73 64.28 43.46 3 0 15.39 -999 ? O1 EDO A 3 >ALA~A 167 20.41 66.67 48.08 19.05 66.21 48.67 19.73 66.44 48.37 2 0 11.76 -999 ? O1 EDO A 3 >GLN~A 168 24.32 65.84 52.84 25.82 64.39 53.01 25.07 65.12 52.92 2 0 13.53 -999 ? O1 EDO A 3 >GLU~A 169 27.50 67.35 47.10 27.31 66.43 45.13 27.40 66.89 46.11 2 0 18.30 -999 ? O1 EDO A 3 >LEU~A 170 22.43 70.60 46.55 21.93 72.23 45.26 22.18 71.41 45.91 3 0 12.32 -999 ? O1 MES A 4 >LEU~A 171 21.53 70.92 51.74 19.45 70.81 51.63 20.49 70.86 51.68 3 0 14.52 -999 ? O1 MES A 4 >ALA~A 172 25.94 72.04 52.08 26.94 70.90 52.04 26.44 71.47 52.06 2 0 18.80 -999 ? O1 EDO A 3 >THR~A 173 26.58 74.94 49.68 26.58 74.05 47.66 26.58 74.49 48.67 2 0 15.26 -999 ? C2 MES A 4 >ILE~A 174 22.30 76.64 51.45 21.16 76.75 50.46 21.73 76.70 50.96 3 0 12.24 -999 ? C2 MES A 4 >PRO~A 175 24.99 81.08 49.81 24.77 79.82 51.69 24.88 80.45 50.75 3 0 14.07 -999 ? C2 MES A 4 >LEU~A 176 24.91 82.48 56.35 24.90 82.30 58.47 24.91 82.39 57.41 3 0 18.92 -999 ? C2 MES A 4 >GLU~A 177 22.73 85.25 51.79 24.88 85.12 51.80 23.80 85.19 51.80 2 0 15.59 -999 ? C2 MES A 4 >TYR~A 178 19.86 82.20 50.02 19.70 83.99 47.92 19.78 83.10 48.97 3 0 9.56 -999 ? C2 MES A 4 >GLN~A 179 21.74 78.31 55.73 23.54 77.95 56.82 22.64 78.13 56.28 2 0 17.59 -999 ? C2 MES A 4 >ASP~A 180 15.29 79.43 54.05 14.04 80.78 53.26 14.67 80.10 53.65 2 0 10.77 -999 ? C2 MES A 4 >ASN~A 181 11.40 79.10 57.09 11.26 80.75 55.65 11.33 79.93 56.37 2 0 12.89 -999 ? C7 MES A 4 >SER~A 182 12.53 76.18 53.99 13.13 77.44 52.01 12.83 76.81 53.00 2 0 9.80 -999 ? C2 MES A 4 >TYR~A 183 18.72 75.74 54.68 21.16 74.78 55.55 19.94 75.26 55.12 3 0 14.90 -999 ? C2 MES A 4 >LYS~A 184 15.84 74.27 57.85 16.97 79.72 60.58 16.40 76.99 59.22 2 0 18.38 -999 ? C2 MES A 4 >SER~A 185 12.91 72.02 57.16 10.82 73.07 57.73 11.87 72.55 57.44 2 0 16.42 -999 ? C1 EDO A 3 >LEU~A 186 15.49 71.19 53.05 14.27 71.79 51.27 14.88 71.49 52.16 3 0 12.61 -999 ? O1 MES A 4 >ILE~A 187 18.48 70.76 57.57 19.79 70.68 57.18 19.13 70.72 57.37 3 0 14.93 -999 ? O1 EDO A 3 >ALA~A 188 15.49 68.11 59.00 14.36 68.82 59.74 14.93 68.47 59.37 2 0 12.91 -999 ? C1 EDO A 3 >LYS~A 189 13.97 66.03 56.24 9.03 67.80 52.85 11.50 66.92 54.54 2 0 11.46 -999 ? C1 EDO A 3 >LEU~A 190 18.49 65.67 54.48 19.97 65.03 53.04 19.23 65.35 53.76 3 0 9.68 -999 ? O1 EDO A 3 >GLU~A 191 18.90 64.12 61.08 20.84 63.06 60.97 19.87 63.59 61.02 2 0 11.05 -999 ? O1 EDO A 3 >LEU~A 192 13.70 62.52 59.29 12.71 63.32 60.96 13.21 62.92 60.12 3 0 8.24 -999 ? C1 EDO A 3 >HIS~A 193 14.19 61.15 53.93 12.22 61.63 53.39 13.21 61.39 53.66 3 0 4.18 -999 ? C1 EDO A 3s >GLN~A 194 20.43 61.28 57.19 21.65 62.86 56.30 21.04 62.07 56.74 2 0 9.45 -999 ? O1 EDO A 3 >GLN~A 195 18.22 59.76 61.60 17.83 60.49 63.59 18.02 60.12 62.60 2 0 10.53 -999 ? O1 EDO A 3 >ALA~A 196 15.47 55.68 58.43 14.20 56.24 57.78 14.83 55.96 58.10 2 0 -3.44 -999 ? C2 EDO A 3s >ALA~A 197 18.01 54.13 56.02 18.81 54.99 55.04 18.41 54.56 55.53 2 0 4.59 -999 ? O1 EDO A 3 >GLU.A 198 22.44 52.30 58.94 23.49 53.95 58.11 22.97 53.13 58.53 2 0 10.05 -999 ? O1 EDO A 3 >SER~A 199 17.04 50.16 60.41 15.63 49.20 58.72 16.33 49.68 59.56 2 0 8.64 -999 ? C2 EDO A 3 >PRO~A 200 15.74 47.84 64.01 17.23 47.63 62.29 16.49 47.74 63.15 3 0 12.55 -999 ? C2 EDO A 3 >GLU~A 201 13.30 44.85 58.38 12.76 43.20 59.66 13.03 44.03 59.02 2 0 13.88 -999 ? C2 EDO A 3 >LEU~A 202 18.20 47.76 56.56 17.01 48.94 55.18 17.61 48.35 55.87 3 0 9.11 -999 ? O1 EDO A 3 >LYS~A 203 20.60 45.07 59.16 24.42 45.97 58.19 22.51 45.52 58.68 2 0 15.11 -999 ? O1 EDO A 3 >ARG~A 204 15.30 41.06 60.76 14.11 39.17 58.60 14.71 40.12 59.68 2 0 17.53 -999 ? C2 EDO A 3 >LEU~A 205 17.13 41.88 55.19 14.92 41.64 55.56 16.03 41.76 55.38 3 0 14.91 -999 ? C2 EDO A 3 >GLU~A 206 22.34 44.48 54.49 22.62 46.44 55.22 22.48 45.46 54.85 2 0 13.11 -999 ? O1 EDO A 3 >GLN~A 207 23.46 40.88 59.88 24.94 42.15 58.98 24.20 41.52 59.43 2 0 18.52 -999 ? O1 EDO A 3 >GLU~A 208 18.55 36.25 55.77 16.55 36.10 56.41 17.55 36.17 56.09 2 0 20.60 -999 ? C2 EDO A 3 >LEU~A 209 21.38 38.76 51.80 20.79 38.51 49.73 21.09 38.64 50.76 3 0 19.59 -999 ? O1 EDO A 3 >ALA~A 210 25.43 37.35 53.34 26.16 38.18 54.39 25.80 37.77 53.86 2 0 21.90 -999 ? O1 EDO A 3 >ALA~A 211 24.91 33.88 54.85 24.48 33.69 56.33 24.70 33.78 55.59 2 0 25.21 -999 ? O1 EDO A 3 >ASN~A 212 20.97 32.91 52.40 20.59 31.75 54.09 20.78 32.33 53.25 2 0 25.76 -999 ? O1 EDO A 3 >PRO.A 213 26.06 33.14 49.59 24.01 34.09 49.67 25.03 33.62 49.63 3 0 25.83 -999 ? O1 EDO A 3 >ASP.A 214 22.82 30.93 46.08 24.62 31.02 44.93 23.72 30.98 45.51 2 0 26.15 -999 ? O1 EDO A 2 >ASN~A 215 18.39 32.92 49.35 16.28 33.02 49.74 17.34 32.97 49.55 2 0 23.96 -999 ? O2 EDO A 3 >PHE~A 216 18.65 34.27 42.87 21.07 33.46 41.63 19.86 33.86 42.25 3 0 22.45 -999 ? O1 EDO A 2 >GLU~A 217 11.92 35.13 47.63 10.59 33.64 48.36 11.25 34.38 47.99 2 0 23.12 -999 ? O2 EDO A 3 >LEU~A 218 16.90 36.67 50.58 16.83 36.36 52.65 16.86 36.51 51.62 3 0 20.45 -999 ? C2 EDO A 3 >ALA~A 219 17.80 39.57 47.40 18.79 39.10 46.36 18.29 39.33 46.88 2 0 19.83 -999 ? O1 EDO A 3 >CYH~A 220 14.63 40.83 45.73 14.26 39.47 43.31 14.44 40.15 44.52 2 0 20.04 -999 ? O2 EDO A 3 >GLU~A 221 12.16 39.35 49.90 11.76 38.21 51.69 11.96 38.78 50.80 2 0 17.98 -999 ? O2 EDO A 3 >LEU~A 222 17.82 42.65 50.48 19.26 43.67 51.73 18.54 43.16 51.10 3 0 14.54 -999 ? O1 EDO A 3 >ALA~A 223 16.36 45.39 47.28 16.59 44.85 45.84 16.48 45.12 46.56 2 0 14.76 -999 ? O1 EDO A 3 >VAL~A 224 12.69 46.40 47.74 10.66 45.46 47.30 11.68 45.93 47.52 3 0 12.09 -999 ? O2 EDO A 3 >GLN~A 225 12.64 45.78 53.06 10.87 46.95 53.09 11.75 46.37 53.08 2 0 9.12 -999 ? O2 EDO A 3 >TYR~A 226 18.90 48.10 49.98 21.07 46.94 51.33 19.99 47.52 50.65 3 0 11.30 -999 ? O1 EDO A 3 >ASN~A 227 13.74 50.45 46.51 12.43 51.79 45.54 13.09 51.12 46.03 2 0 9.70 -999 ? O2 EDO A 3 >GLN~A 228 10.39 49.97 50.12 8.41 49.23 50.53 9.40 49.60 50.32 2 0 -8.17 -999 ? O2 EDO A 3s >VAL~A 229 14.44 54.10 52.15 15.19 52.74 53.70 14.81 53.42 52.93 3 0 -3.65 -999 ? O1 EDO A 3s >GLY.A 230 16.24 55.63 49.11 16.52 54.94 49.50 16.38 55.28 49.31 1 0 5.50 -999 ? O1 EDO A 3 >ARG~A 231 20.09 52.07 52.84 21.92 50.10 54.27 21.01 51.09 53.55 2 0 9.88 -999 ? O1 EDO A 3 >ASP~A 232 17.81 53.61 44.63 15.99 54.10 45.52 16.90 53.86 45.07 2 0 9.23 -999 ? O1 EDO A 3 >GLU~A 233 24.63 53.31 43.81 26.31 54.53 44.37 25.47 53.92 44.09 2 0 15.43 -999 ? O1 EDO A 3 >GLU~A 234 23.97 50.15 48.89 23.52 50.75 50.88 23.74 50.45 49.88 2 0 11.24 -999 ? O1 EDO A 3 >ALA~A 235 19.26 48.03 45.73 18.03 48.85 45.63 18.65 48.44 45.68 2 0 12.20 -999 ? O1 EDO A 3 >LEU~A 236 20.17 49.37 41.12 18.35 50.37 40.28 19.26 49.87 40.70 3 0 12.99 -999 ? C2 MES B 285 >GLU~A 237 26.20 46.85 43.46 27.59 47.27 41.92 26.89 47.06 42.69 2 0 15.30 -999 ? O1 EDO A 2 >LEU~A 238 21.47 44.09 45.69 21.62 42.71 47.39 21.54 43.40 46.54 3 0 16.93 -999 ? O1 EDO A 3 >LEU~A 239 19.04 43.68 41.33 17.36 43.46 42.90 18.20 43.57 42.12 3 0 16.57 -999 ? C2 MES B 285 >TRP~A 240 26.13 45.08 38.01 24.70 44.85 34.35 25.41 44.96 36.18 3 0 10.46 -999 ? O1 EDO A 2 >ASN~A 241 25.78 41.54 41.98 27.48 42.83 42.21 26.63 42.18 42.09 2 0 17.05 -999 ? O1 EDO A 2 >ILE~A 242 21.48 38.44 40.79 20.62 37.85 41.71 21.05 38.14 41.25 3 0 18.56 -999 ? O1 EDO A 2 >LEU~A 243 20.74 40.94 36.24 18.64 41.53 36.71 19.69 41.24 36.48 3 0 13.33 -999 ? O1 EDO A 2 >LYS~A 244 24.92 39.84 34.84 29.69 42.56 37.70 27.31 41.20 36.27 2 0 14.22 -999 ? C2 EDO A 2 >VAL.A 245 25.39 36.18 35.74 26.33 35.30 37.52 25.86 35.74 36.63 3 0 17.24 -999 ? C2 EDO A 2 >ASN.A 246 21.46 34.13 36.29 19.78 32.73 35.90 20.62 33.43 36.10 2 0 19.97 -999 ? O1 EDO A 2 >LEU.A 247 19.06 37.76 32.00 20.35 39.40 31.05 19.70 38.58 31.52 3 0 13.09 -999 ? O1 EDO A 2 >GLY.A 248 16.55 34.76 34.30 17.08 35.04 34.86 16.81 34.90 34.58 1 0 18.41 -999 ? O1 EDO A 2 >ALA.A 249 17.48 34.72 37.95 18.32 35.69 38.72 17.90 35.20 38.34 2 0 19.19 -999 ? O1 EDO A 2 >GLN.A 250 13.49 34.42 42.31 13.53 32.59 43.45 13.51 33.50 42.88 2 0 25.43 -999 ? C2 MES B 285 >ASP.A 251 10.96 32.33 37.85 9.73 31.31 36.51 10.34 31.82 37.18 2 0 24.14 -999 ? C2 MES B 285 >GLY~A 252 12.82 36.50 35.98 12.60 36.29 36.66 12.71 36.40 36.32 1 0 18.45 -999 ? C2 MES B 285 >GLU~A 253 11.29 37.62 41.97 10.40 36.35 43.54 10.85 36.98 42.76 2 0 22.37 -999 ? O2 EDO A 3 >VAL~A 254 15.11 39.61 39.79 17.15 38.94 40.41 16.13 39.28 40.10 3 0 17.85 -999 ? C2 MES B 285 >LYS~A 255 15.09 41.44 36.47 15.96 41.53 30.95 15.52 41.48 33.71 2 0 11.30 -999 ? C2 MES B 285 >LYS~A 256 11.54 42.59 37.28 5.87 42.47 37.28 8.71 42.53 37.28 2 0 18.00 -999 ? O1 MES B 285 >THR~A 257 12.31 43.99 40.67 13.10 42.93 42.40 12.70 43.46 41.54 2 0 17.71 -999 ? O2 EDO A 3 >PHE~A 258 17.49 45.74 37.81 19.73 47.18 36.88 18.61 46.46 37.35 3 0 10.99 -999 ? C2 MES B 285 >MET?A 259 12.90 47.05 36.47 13.84 46.33 32.92 13.37 46.69 34.70 2 0 8.89 -999 ? O1 MES B 285 >ASP~A 260 9.38 47.40 39.94 8.26 45.78 39.06 8.82 46.59 39.50 2 0 16.01 -999 ? O1 MES B 285 >ILE~A 261 14.24 49.38 41.67 13.94 49.16 42.52 14.09 49.27 42.10 3 0 14.15 -999 ? O2 EDO A 3 >LEU~A 262 14.72 51.20 36.46 16.82 50.65 36.05 15.77 50.93 36.25 3 0 8.83 -999 ? C2 MES B 285 >SER~A 263 10.75 52.97 36.65 8.77 51.52 36.90 9.76 52.25 36.77 2 0 12.51 -999 ? O1 MES B 285 >ALA~A 264 9.86 53.90 40.23 10.02 53.07 41.50 9.94 53.48 40.86 2 0 13.07 -999 ? O2 EDO A 3 >LEU~A 265 14.40 55.67 40.04 15.33 55.09 41.98 14.87 55.38 41.01 3 0 13.32 -999 ? O1 EDO A 3 >GLY~A 266 12.24 58.14 36.96 12.93 57.69 36.95 12.58 57.92 36.96 1 0 11.83 -999 ? O1 MES B 285 >GLN.A 267 12.59 58.76 31.81 13.87 57.33 30.85 13.23 58.04 31.33 2 0 6.38 -999 ? C6 MES B 285 >GLY.A 268 16.15 62.27 35.35 16.16 61.51 35.59 16.16 61.89 35.47 1 0 12.19 -999 ? C6 MES B 285 >ASN~A 269 16.84 58.99 38.81 17.81 58.24 40.54 17.32 58.62 39.68 2 0 14.03 -999 ? C2 MES B 285 >ALA~A 270 21.39 59.47 37.46 22.51 60.48 37.83 21.95 59.97 37.64 2 0 13.36 -999 ? C3 MES B 285 >ILE~A 271 21.30 55.96 40.95 22.51 55.21 41.42 21.91 55.59 41.18 3 0 14.13 -999 ? C2 MES B 285 >ALA~A 272 18.43 54.92 37.51 16.99 55.63 37.49 17.71 55.27 37.50 2 0 10.25 -999 ? O1 MES B 285 >SER~A 273 20.09 56.03 34.25 19.12 58.19 33.75 19.61 57.11 34.00 2 0 8.43 -999 ? C2 MES B 285 >LYS~A 274 23.38 54.23 34.95 27.86 52.00 38.11 25.62 53.12 36.53 2 0 11.54 -999 ? O1 EDO A 2s >TYR~A 275 22.20 50.47 38.05 24.23 50.35 39.89 23.22 50.41 38.97 3 0 11.32 -999 ? O1 EDO A 2 >ARG~A 276 16.31 53.69 32.47 15.05 55.56 34.60 15.68 54.63 33.54 2 0 7.79 -999 ? O1 MES B 285 >ARG~A 277 24.22 54.79 29.70 25.11 56.20 32.31 24.66 55.49 31.01 2 0 -7.54 -999 ? O1 EDO A 2s >GLN~A 278 25.63 49.25 34.11 26.39 49.22 36.07 26.01 49.24 35.09 2 0 -9.11 -999 ? O1 EDO A 2s >LEU~A 279 19.64 46.52 32.68 18.07 44.98 32.65 18.85 45.75 32.66 3 0 7.96 -999 ? C2 MES B 285 >TYR~A 280 19.88 48.91 26.39 19.14 49.08 23.71 19.51 48.99 25.05 3 0 4.15 -999 ? C8 MES B 285s >SER~A 281 24.08 46.60 27.40 25.57 46.85 29.33 24.82 46.72 28.37 2 0 -4.10 -999 ? C2 EDO A 2s >ILE~A 282 24.26 42.52 29.86 24.50 42.60 31.14 24.38 42.56 30.50 3 0 8.12 -999 ? C2 EDO A 2 >LEU~A 283 19.14 43.31 26.76 17.93 44.01 28.50 18.54 43.66 27.63 3 0 8.35 -999 ? O1 EDO A 2 >TYR.A 284 20.33 37.22 25.71 21.06 35.86 28.04 20.69 36.54 26.88 3 0 13.37 -999 ? O2 EDO A 2 >ASP.B 114 10.26 29.34 2.26 8.42 30.47 2.26 9.34 29.90 2.26 2 0 10.91 -999 ? O1S MES B 3 >GLU.B 115 13.73 26.28 -0.28 11.96 25.48 0.59 12.84 25.88 0.15 2 0 9.63 -999 ? O1S MES B 3 >GLN~B 116 20.00 29.96 1.61 21.25 30.90 0.16 20.62 30.43 0.88 2 0 8.17 -999 ? O1S MES B 3 >LEU~B 117 14.87 33.94 1.22 13.33 33.10 -0.05 14.10 33.52 0.58 3 0 9.06 -999 ? O1S MES B 3 >LEU~B 118 14.81 30.93 5.97 13.30 30.89 7.55 14.06 30.91 6.76 3 0 -4.19 -999 ? C8 MES B 3s >LYS~B 119 19.46 31.92 5.69 22.16 29.52 7.43 20.81 30.72 6.56 2 0 -3.23 -999 ? O2S MES B 3s >GLN~B 120 19.47 36.16 1.45 20.51 34.51 0.62 19.99 35.34 1.04 2 0 9.15 -999 ? O1S MES B 3 >VAL~B 121 17.59 36.59 6.85 15.52 36.68 7.53 16.56 36.63 7.19 3 0 5.48 -999 ? O1 MES B 3 >SER~B 122 20.05 35.15 9.36 21.32 33.29 10.34 20.68 34.22 9.85 2 0 -4.43 -999 ? C5 MES B 3s >GLU~B 123 24.71 35.82 5.59 25.27 33.99 6.54 24.99 34.91 6.07 2 0 7.90 -999 ? O2S MES B 3 >LEU~B 124 20.10 40.42 6.58 20.18 40.67 4.29 20.14 40.54 5.44 3 0 10.33 -999 ? C5 MES B 3 >LEU~B 125 20.06 38.89 11.82 17.92 38.90 12.09 18.99 38.90 11.95 3 0 5.98 -999 ? C6 MES B 3 >GLN~B 126 26.92 37.91 11.31 27.51 38.28 13.36 27.22 38.10 12.33 2 0 12.00 -999 ? C5 MES B 3 >GLN~B 127 26.06 40.81 7.53 25.82 40.93 5.45 25.94 40.87 6.49 2 0 13.42 -999 ? C5 MES B 3 >GLY.B 128 23.24 44.31 11.55 23.22 44.11 10.76 23.23 44.21 11.16 1 0 12.82 -999 ? C6 MES B 3 >GLU~B 129 23.29 44.65 6.48 23.49 46.64 5.72 23.39 45.65 6.10 2 0 16.26 -999 ? C6 MES B 3 >HIS~B 130 18.68 45.44 12.23 20.11 44.88 13.66 19.40 45.16 12.95 3 0 11.99 -999 ? C6 MES B 3 >ALA~B 131 16.09 46.86 7.01 16.35 48.29 6.55 16.22 47.57 6.78 2 0 15.46 -999 ? O1 MES B 3 >GLN~B 132 19.31 44.71 2.65 21.46 45.00 2.63 20.38 44.86 2.64 2 0 15.75 -999 ? C5 MES B 3 >ALA~B 133 16.24 41.60 6.84 16.79 41.41 8.28 16.52 41.50 7.56 2 0 8.55 -999 ? O1 MES B 3 >LEU~B 134 12.04 44.15 7.75 11.81 45.01 9.71 11.92 44.58 8.73 3 0 11.59 -999 ? O1 MES B 3 >ASN~B 135 13.17 43.87 2.60 12.67 43.90 0.52 12.92 43.89 1.56 2 0 15.15 -999 ? O1 MES B 3 >VAL~B 136 13.44 39.42 3.06 15.37 38.46 2.75 14.40 38.94 2.91 3 0 10.08 -999 ? O1 MES B 3 >ILE~B 137 11.07 39.10 7.43 11.29 38.07 8.40 11.18 38.58 7.92 3 0 7.09 -999 ? O1 MES B 3 >GLN~B 138 8.66 42.65 3.75 7.84 43.69 2.02 8.25 43.17 2.88 2 0 15.47 -999 ? O1 MES B 3 >THR~B 139 8.94 37.90 0.98 10.93 38.39 0.25 9.94 38.15 0.61 2 0 12.83 -999 ? O1 MES B 3 >LEU~B 140 8.90 34.47 4.41 10.92 34.65 5.09 9.91 34.56 4.75 3 0 8.41 -999 ? C2 MES B 3 >SER~B 141 5.21 32.72 2.77 5.72 30.56 3.82 5.46 31.64 3.30 2 0 11.73 -999 ? C2 MES B 3 >ASP~B 142 1.00 34.01 4.86 0.43 35.81 3.88 0.71 34.91 4.37 2 0 16.15 -999 ? C2 MES B 3 >GLU~B 143 1.40 29.26 5.91 2.43 28.99 4.07 1.92 29.12 4.99 2 0 14.44 -999 ? C2 MES B 3 >LEU~B 144 7.72 30.87 6.33 9.76 30.01 6.58 8.74 30.44 6.45 3 0 7.77 -999 ? C3 MES B 3 >GLN~B 145 6.21 36.28 6.39 5.30 37.97 5.46 5.75 37.12 5.93 2 0 12.11 -999 ? O1 MES B 3 >SER~B 146 3.96 33.51 11.27 2.84 31.46 11.15 3.40 32.48 11.21 2 0 11.39 -999 ? C2 MES B 3 >ARG~B 147 8.68 28.15 11.45 11.57 27.83 10.55 10.12 27.99 11.00 2 0 4.86 -999 ? C3 MES B 3 >GLY~B 148 7.47 31.94 16.22 7.99 31.87 15.61 7.73 31.91 15.91 1 0 8.08 -999 ? C2 MES B 3 >ASP~B 149 12.35 31.31 15.24 11.73 30.06 13.64 12.04 30.69 14.44 2 0 -3.96 -999 ? C2 MES B 3s >VAL~B 150 10.67 34.45 12.43 10.11 34.04 10.33 10.39 34.25 11.38 3 0 4.16 -999 ? C2 MES B 3 >LYS~B 151 8.37 36.74 14.46 2.51 35.22 15.95 5.44 35.98 15.21 2 0 12.69 -999 ? C2 MES B 3 >LEU~B 152 11.77 36.05 17.92 10.66 35.44 19.80 11.21 35.74 18.86 3 0 8.37 -999 ? C2 MES B 3 >ALA~B 153 13.58 38.01 14.35 14.06 37.07 13.19 13.82 37.54 13.77 2 0 3.83 -999 ? O1 MES B 3 >LYS~B 154 11.14 40.56 12.89 5.28 41.55 10.19 8.21 41.05 11.54 2 0 12.45 -999 ? O1 MES B 3 >ALA~B 155 10.53 42.08 16.35 9.95 41.37 17.55 10.24 41.72 16.95 2 0 10.91 -999 ? O1 MES B 3 >ASP~B 156 15.29 41.38 16.72 17.36 41.87 16.95 16.33 41.63 16.84 2 0 9.58 -999 ? C6 MES B 3 >CYH~B 157 14.45 44.17 13.41 15.28 42.28 11.53 14.86 43.22 12.47 2 0 8.56 -999 ? O1 MES B 3 >LEU~B 158 10.07 46.10 14.72 8.54 45.44 13.24 9.30 45.77 13.98 3 0 13.50 -999 ? O1 MES B 3 >LEU~B 159 13.46 46.41 18.64 13.47 46.40 20.70 13.46 46.41 19.67 3 0 9.95 -999 ? C5 MES B 285 >GLU~B 160 18.07 46.03 16.19 19.38 46.85 17.59 18.73 46.44 16.89 2 0 8.23 -999 ? O3S MES B 285 >THR~B 161 14.93 50.25 13.53 13.67 49.55 11.92 14.30 49.90 12.72 2 0 14.68 -999 ? C5 MES B 285 >LYS.B 162 13.08 52.05 16.29 16.25 56.66 15.70 14.67 54.35 16.00 2 0 9.73 -999 ? O1S MES B 285 >GLN~B 163 10.30 50.96 12.71 9.95 50.11 10.80 10.12 50.54 11.76 2 0 16.97 -999 ? C5 MES B 285 >PHE~B 164 10.43 51.69 19.93 13.18 52.47 19.96 11.81 52.08 19.94 3 0 8.29 -999 ? C5 MES B 285 >GLU~B 165 2.76 51.99 18.63 3.44 53.07 20.34 3.10 52.53 19.49 2 0 15.13 -999 ? C6 MES B 285 >LEU~B 166 5.95 48.18 14.12 4.80 48.84 12.28 5.37 48.51 13.20 3 0 17.65 -999 ? O1 MES B 3 >ALA~B 167 7.69 45.75 17.61 8.99 46.22 18.23 8.34 45.99 17.92 2 0 13.41 -999 ? C5 MES B 285 >GLN~B 168 4.60 47.86 22.20 3.04 46.92 23.22 3.82 47.39 22.71 2 0 15.87 -999 ? O1 MES B 285 >GLU~B 169 0.65 45.71 16.84 0.56 46.93 15.06 0.61 46.32 15.95 2 0 19.80 -999 ? O1 MES B 3 >LEU~B 170 5.62 41.94 16.26 6.03 40.44 14.73 5.83 41.19 15.49 3 0 12.39 -999 ? O1 MES B 3 >LEU~B 171 6.61 41.74 21.39 8.80 41.85 21.31 7.70 41.80 21.35 3 0 14.60 -999 ? O1 MES B 3 >ALA~B 172 2.26 40.67 21.93 1.18 41.85 22.00 1.72 41.26 21.97 2 0 19.01 -999 ? C2 MES B 3 >THR~B 173 1.56 37.81 19.43 1.37 38.81 17.47 1.46 38.31 18.45 2 0 15.38 -999 ? C2 MES B 3 >ILE~B 174 5.79 35.93 21.06 6.75 35.71 19.99 6.27 35.82 20.52 3 0 12.28 -999 ? C2 MES B 3 >PRO~B 175 3.07 31.39 19.68 3.41 32.66 21.49 3.24 32.02 20.58 3 0 14.07 -999 ? C2 MES B 3 >LEU~B 176 3.58 30.62 26.55 2.33 29.06 27.38 2.96 29.84 26.96 3 0 19.11 -999 ? C2 MES B 3 >GLU~B 177 4.70 26.93 23.26 4.49 27.11 21.30 4.60 27.02 22.28 2 0 14.65 -999 ? C2 MES B 3 >TYR~B 178 8.16 30.40 19.60 8.65 28.69 17.46 8.40 29.54 18.53 3 0 9.40 -999 ? C2 MES B 3 >GLN~B 179 6.68 34.08 25.20 5.07 34.67 26.40 5.87 34.37 25.80 2 0 17.40 -999 ? C2 MES B 3 >ASP~B 180 13.40 31.46 24.52 13.82 32.48 22.67 13.61 31.97 23.59 2 0 10.80 -999 ? C6 MES B 3 >ASN~B 181 17.00 33.74 26.90 17.70 32.96 25.01 17.35 33.35 25.95 2 0 12.94 -999 ? C6 MES B 3 >SER~B 182 15.52 36.34 23.57 15.26 34.94 21.61 15.39 35.64 22.59 2 0 9.56 -999 ? C6 MES B 3 >TYR~B 183 9.32 36.82 24.53 6.86 37.98 25.27 8.09 37.40 24.90 3 0 15.31 -999 ? C2 MES B 3 >LYS~B 184 12.37 38.36 27.44 10.89 33.49 29.82 11.63 35.93 28.63 2 0 18.41 -999 ? C6 MES B 3 >SER~B 185 15.30 40.50 26.27 17.52 39.67 26.74 16.41 40.08 26.51 2 0 11.98 -999 ? O2 EDO A 2 >LEU~B 186 12.56 41.38 22.23 14.01 40.90 20.56 13.29 41.14 21.39 3 0 12.21 -999 ? C6 MES B 3 >ILE~B 187 9.65 41.75 26.61 8.10 41.78 26.77 8.88 41.77 26.69 3 0 13.73 -999 ? O1 MES B 285 >ALA~B 188 12.90 44.51 28.43 14.03 43.81 29.16 13.46 44.16 28.80 2 0 9.49 -999 ? C2 MES B 285 >LYS~B 189 14.43 46.49 25.56 18.95 44.11 22.01 16.69 45.30 23.78 2 0 8.08 -999 ? O2 EDO A 2 >LEU~B 190 9.89 46.76 23.85 8.22 47.31 22.70 9.05 47.03 23.27 3 0 10.80 -999 ? O1 MES B 285 >GLU~B 191 9.52 48.50 30.40 7.57 49.48 30.31 8.54 48.99 30.36 2 0 10.43 -999 ? O1 MES B 285 >LEU~B 192 14.74 50.26 28.26 15.43 49.40 30.21 15.09 49.83 29.23 3 0 -3.86 -999 ? O1 MES B 285s >HIS~B 193 14.27 51.56 23.14 16.23 51.03 22.59 15.25 51.30 22.86 3 0 -4.16 -999 ? C5 MES B 285s >GLN~B 194 7.90 51.30 24.71 6.19 50.01 25.21 7.04 50.65 24.96 2 0 11.53 -999 ? O1 MES B 285 >GLN~B 195 9.89 53.40 30.84 10.85 52.98 32.69 10.37 53.19 31.77 2 0 8.05 -999 ? O1 MES B 285 >ALA~B 196 12.88 56.94 27.27 14.15 56.36 26.58 13.51 56.65 26.92 2 0 3.98 -999 ? C6 MES B 285 >ALA~B 197 10.28 58.39 24.78 9.52 57.48 23.75 9.90 57.94 24.27 2 0 9.00 -999 ? C6 MES B 285 >GLU.B 198 6.54 58.60 27.38 5.24 59.68 26.17 5.89 59.14 26.78 2 0 13.31 -999 ? C6 MES B 285 >SER~B 199 11.39 62.13 29.03 12.48 62.93 27.11 11.93 62.53 28.07 2 0 10.32 -999 ? C6 MES B 285 >PRO~B 200 12.94 64.53 32.35 11.34 64.76 30.77 12.14 64.65 31.56 3 0 12.94 -999 ? C6 MES B 285 >GLU~B 201 15.08 67.18 26.36 16.06 69.07 26.34 15.57 68.13 26.35 2 0 15.37 -999 ? C6 MES B 285 >LEU~B 202 10.64 64.83 24.94 11.33 64.00 23.02 10.99 64.42 23.98 3 0 12.62 -999 ? C6 MES B 285 >LYS~B 203 8.05 67.46 27.75 4.07 66.79 27.04 6.06 67.13 27.39 2 0 18.17 -999 ? O ACT B 1 >ARG~B 204 13.63 71.34 29.30 14.59 73.16 27.08 14.11 72.25 28.19 2 0 15.69 -999 ? C6 MES A 4 >LEU~B 205 11.21 70.33 23.76 13.42 70.25 23.83 12.32 70.29 23.80 3 0 17.49 -999 ? C6 MES B 285 >GLU~B 206 6.22 67.88 23.39 5.44 66.06 24.14 5.83 66.97 23.76 2 0 16.13 -999 ? O ACT B 1 >GLN~B 207 5.05 71.36 28.26 3.12 70.48 27.84 4.09 70.92 28.05 2 0 17.56 -999 ? O3S MES A 4 >GLU~B 208 10.05 76.56 24.68 12.13 76.31 25.16 11.09 76.43 24.92 2 0 15.81 -999 ? O3S MES A 4 >LEU~B 209 6.93 73.89 20.61 7.26 73.83 18.50 7.09 73.86 19.56 3 0 14.41 -999 ? CH3 ACT B 1 >ALA~B 210 3.08 75.26 22.59 2.42 74.28 23.60 2.75 74.77 23.10 2 0 15.34 -999 ? CH3 ACT B 1 >ALA~B 211 3.57 78.73 24.18 4.35 78.97 25.45 3.96 78.85 24.81 2 0 15.57 -999 ? O3S MES A 4 >ASN~B 212 7.06 79.73 21.42 7.75 81.71 21.68 7.41 80.72 21.55 2 0 18.12 -999 ? O2S MES A 4 >PRO.B 213 1.91 78.75 19.06 4.07 78.46 18.55 2.99 78.61 18.80 3 0 13.64 -999 ? CH3 ACT B 1 >ASP.B 214 5.04 81.28 14.59 2.95 81.49 14.94 4.00 81.39 14.77 2 0 13.00 -999 ? O1 EDO B 286 >ASN~B 215 9.61 79.37 17.93 11.73 79.55 18.23 10.67 79.46 18.08 2 0 17.60 -999 ? O1 EDO B 286 >PHE~B 216 9.10 78.20 11.65 6.56 79.01 10.65 7.83 78.60 11.15 3 0 9.74 -999 ? O1 EDO B 286 >GLU~B 217 16.10 77.68 15.19 17.53 78.85 16.28 16.81 78.26 15.73 2 0 19.17 -999 ? O1 EDO B 286 >LEU~B 218 11.22 75.78 19.26 11.85 76.98 20.94 11.54 76.38 20.10 3 0 18.74 -999 ? CH3 ACT B 1 >ALA~B 219 10.05 72.92 15.95 9.09 73.44 14.92 9.57 73.18 15.44 2 0 13.35 -999 ? O ACT B 1 >CYH~B 220 13.21 71.63 14.17 13.47 73.07 11.84 13.34 72.35 13.00 2 0 14.96 -999 ? C2 EDO B 286 >GLU~B 221 16.30 72.86 18.06 16.60 74.60 19.33 16.45 73.73 18.69 2 0 21.52 -999 ? O1S MES B 285 >LEU~B 222 10.45 69.67 19.28 9.05 68.56 20.48 9.75 69.11 19.88 3 0 15.43 -999 ? O ACT B 1 >ALA~B 223 11.56 67.02 15.71 11.27 67.54 14.30 11.41 67.28 15.01 2 0 13.97 -999 ? O ACT B 1 >VAL~B 224 15.28 66.04 16.01 17.29 66.93 15.52 16.28 66.48 15.76 3 0 15.48 -999 ? O1S MES B 285 >GLN~B 225 15.70 66.82 21.02 17.45 65.71 21.52 16.57 66.27 21.27 2 0 12.57 -999 ? O1S MES B 285 >TYR~B 226 9.20 64.30 18.60 7.10 65.56 19.98 8.15 64.93 19.29 3 0 14.11 -999 ? O ACT B 1 >ASN~B 227 14.16 61.85 14.90 15.59 60.57 13.96 14.87 61.21 14.43 2 0 12.92 -999 ? O1S MES B 285 >GLN~B 228 17.94 61.83 18.57 19.26 63.16 19.58 18.60 62.49 19.08 2 0 10.09 -999 ? O1S MES B 285 >VAL~B 229 13.57 58.29 20.76 12.96 59.78 22.19 13.26 59.04 21.47 3 0 8.40 -999 ? C6 MES B 285 >GLY.B 230 11.67 56.85 17.81 11.42 57.54 18.13 11.55 57.20 17.97 1 0 10.55 -999 ? C5 MES B 285 >ARG~B 231 8.13 60.48 21.50 6.29 62.38 23.13 7.21 61.43 22.31 2 0 14.33 -999 ? C6 MES B 285 >ASP~B 232 10.03 58.97 13.21 11.92 58.42 13.92 10.98 58.69 13.57 2 0 14.05 -999 ? C5 MES B 285 >GLU~B 233 3.20 59.64 13.16 1.62 58.25 13.04 2.41 58.95 13.10 2 0 10.77 -999 ? O ACT B 1 >GLU~B 234 3.99 62.58 17.75 4.44 61.79 19.62 4.22 62.19 18.68 2 0 13.13 -999 ? O ACT B 1 >ALA~B 235 8.38 64.55 14.41 9.68 63.77 14.20 9.03 64.16 14.30 2 0 13.10 -999 ? O ACT B 1 >LEU~B 236 7.28 63.24 9.94 9.04 62.27 8.97 8.16 62.75 9.46 3 0 11.40 -999 ? O ACT B 1 >GLU~B 237 1.29 65.69 12.45 -0.16 65.11 10.98 0.57 65.40 11.72 2 0 -3.51 -999 ? O ACT B 1s >LEU~B 238 5.92 68.39 14.52 6.09 69.74 16.11 6.01 69.06 15.31 3 0 9.70 -999 ? O ACT B 1 >LEU~B 239 8.54 68.83 10.17 10.39 69.23 11.48 9.47 69.03 10.83 3 0 11.56 -999 ? O ACT B 1 >TRP~B 240 1.26 67.41 6.93 2.50 67.65 3.21 1.88 67.53 5.07 3 0 6.25 -999 ? O ACT B 1 >ASN~B 241 1.55 71.11 10.86 0.20 69.46 11.19 0.87 70.28 11.02 2 0 -2.96 -999 ? O ACT B 1s >ILE~B 242 6.09 74.03 9.56 6.98 74.64 10.50 6.54 74.33 10.03 3 0 10.19 -999 ? O1 EDO B 286 >LEU~B 243 6.50 71.33 4.93 8.64 70.94 5.16 7.57 71.14 5.05 3 0 8.48 -999 ? O2 EDO B 286 >LYS~B 244 2.20 72.63 3.92 -2.69 70.30 6.32 -0.24 71.46 5.12 2 0 -3.47 -999 ? CH3 ACT B 1s >VAL.B 245 1.96 76.29 4.85 1.02 77.14 6.70 1.49 76.71 5.77 3 0 -6.17 -999 ? O1 EDO B 286s >ASN.B 246 5.94 78.36 4.82 7.63 79.67 4.25 6.78 79.02 4.54 2 0 -3.70 -999 ? O1 EDO B 286s >LEU.B 247 8.27 74.62 0.65 6.68 73.20 0.21 7.47 73.91 0.43 3 0 -4.20 -999 ? O2 EDO B 286s >GLY.B 248 10.69 77.71 2.77 10.17 77.47 3.36 10.43 77.59 3.07 1 0 5.61 -999 ? C2 EDO B 286 >ALA.B 249 10.02 77.86 6.51 9.10 77.02 7.31 9.56 77.44 6.91 2 0 7.63 -999 ? O1 EDO B 286 >GLN.B 250 14.07 78.14 10.76 13.87 80.10 11.58 13.97 79.12 11.17 2 0 13.18 -999 ? O1 EDO B 286 >ASP.B 251 16.46 80.31 5.90 18.07 80.40 4.53 17.26 80.36 5.22 2 0 13.08 -999 ? C2 EDO B 286 >GLY~B 252 14.98 75.89 4.23 14.98 76.11 4.96 14.98 76.00 4.60 1 0 10.43 -999 ? C2 EDO B 286 >GLU~B 253 17.44 75.34 9.55 17.76 76.14 11.58 17.60 75.74 10.57 2 0 16.62 -999 ? C2 EDO B 286 >VAL~B 254 12.27 72.93 8.29 10.41 73.55 9.24 11.34 73.24 8.76 3 0 11.44 -999 ? O2 EDO B 286 >LYS~B 255 12.31 71.02 4.97 11.80 72.35 -0.60 12.06 71.68 2.19 2 0 8.22 -999 ? O2 EDO B 286 >LYS~B 256 15.98 70.01 5.54 21.68 70.19 7.01 18.83 70.10 6.28 2 0 19.15 -999 ? O2 EDO B 286 >THR~B 257 15.29 68.49 8.95 14.75 69.59 10.85 15.02 69.04 9.90 2 0 16.39 -999 ? O2 EDO B 286 >PHE~B 258 10.00 66.69 6.38 7.67 65.38 5.40 8.84 66.04 5.89 3 0 11.02 -999 ? C2 MES B 2 >MET?B 259 14.39 65.44 4.80 13.53 66.14 1.15 13.96 65.79 2.97 2 0 8.91 -999 ? C2 MES B 2 >ASP~B 260 17.86 65.25 8.15 19.20 66.50 7.05 18.53 65.87 7.60 2 0 16.00 -999 ? O1 MES B 2 >ILE~B 261 13.13 62.93 10.14 13.63 63.02 11.01 13.38 62.98 10.58 3 0 15.01 -999 ? C2 MES B 2 >LEU~B 262 12.49 61.27 4.94 10.45 61.88 4.47 11.47 61.58 4.70 3 0 8.69 -999 ? C2 MES B 2 >SER~B 263 16.56 59.53 4.99 18.14 61.13 5.71 17.35 60.33 5.35 2 0 12.75 -999 ? O1 MES B 2 >ALA~B 264 17.28 58.37 8.56 17.11 59.20 9.84 17.20 58.78 9.20 2 0 15.02 -999 ? O1S MES B 285 >LEU~B 265 12.78 56.55 8.42 12.14 57.58 10.31 12.46 57.07 9.36 3 0 13.67 -999 ? C2 MES B 2 >GLY~B 266 15.05 54.35 5.01 14.31 54.72 5.09 14.68 54.53 5.05 1 0 11.43 -999 ? O1 MES B 2 >GLN.B 267 14.45 53.74 0.02 13.03 55.19 -0.60 13.74 54.46 -0.29 2 0 6.16 -999 ? O1 MES B 2 >GLY.B 268 11.49 50.21 4.02 11.35 50.98 4.17 11.42 50.59 4.09 1 0 12.20 -999 ? O1 MES B 2 >ASN~B 269 10.42 53.44 7.43 9.41 54.14 9.15 9.91 53.79 8.29 2 0 13.96 -999 ? C2 MES B 2 >ALA~B 270 5.89 52.93 6.10 4.80 51.95 6.52 5.35 52.44 6.31 2 0 13.28 -999 ? C3 MES B 2 >ILE~B 271 6.08 56.47 9.54 4.92 56.98 9.83 5.50 56.73 9.69 3 0 13.47 -999 ? O ACT B 1 >ALA~B 272 8.73 57.69 6.08 10.08 57.07 6.00 9.40 57.38 6.04 2 0 10.01 -999 ? C2 MES B 2 >SER~B 273 6.97 56.49 2.91 8.06 54.35 2.37 7.51 55.42 2.64 2 0 8.23 -999 ? O1 MES B 2 >LYS~B 274 3.74 58.31 3.92 -0.51 59.93 8.51 1.62 59.12 6.21 2 0 -8.24 -999 ? O ACT B 1s >TYR~B 275 5.37 62.13 6.93 3.38 62.33 8.94 4.38 62.23 7.93 3 0 8.77 -999 ? O ACT B 1 >ARG~B 276 10.89 58.82 0.88 11.80 56.78 3.02 11.35 57.80 1.95 2 0 7.61 -999 ? O1 MES B 2 >ARG~B 277 3.14 57.56 -1.42 1.94 56.38 1.21 2.54 56.97 -0.11 2 0 8.27 -999 ? C3 MES B 2 >GLN~B 278 1.50 63.35 2.97 0.88 63.24 5.01 1.19 63.29 3.99 2 0 7.38 -999 ? O ACT B 1 >LEU~B 279 7.60 66.00 1.25 9.18 67.56 1.21 8.39 66.78 1.23 3 0 8.11 -999 ? C2 MES B 2 >TYR~B 280 7.15 63.68 -4.92 8.00 63.59 -7.53 7.57 63.64 -6.23 3 0 -3.76 -999 ? C7 MES B 2s >SER~B 281 2.91 65.98 -3.77 1.49 65.58 -1.78 2.20 65.78 -2.78 2 0 8.77 -999 ? C3 MES B 2 >ILE~B 282 2.85 70.04 -1.30 2.68 69.83 0.07 2.76 69.94 -0.61 3 0 8.13 -999 ? O2 EDO B 286 >LEU~B 283 7.72 69.28 -4.53 8.97 68.73 -2.78 8.34 69.00 -3.65 3 0 8.86 -999 ? C2 MES B 2 >TYR.B 284 7.25 75.44 -7.87 7.32 77.47 -9.86 7.28 76.46 -8.87 3 0 -9.06 -999 ? O2 EDO B 286s