REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 22-FEB-09 2WB7 COMPND PT26-6P; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS SP. 26-2; SOURCE 3 ORGANISM_TAXID: 195518; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_PLASMID: PET30A AUTHOR J.KELLER,N.LEULLIOT,N.SOLER,B.COLLINET,R.VINCENTELLI, AUTHOR 2 P.FORTERRE,H.VAN TILBEURGH HET MSE A 146 8 HET MSE A 273 8 HET MSE A 379 8 HET MSE A 428 8 HET MSE A 464 8 HET MSE A 525 8 HET MSE A 536 8 HET MSE A 563 8 HET MSE A 584 8 HET MSE A 618 8 HET MSE A 631 8 HET MSE B 146 8 HET MSE B 273 8 HET MSE B 379 8 HET MSE B 428 8 HET MSE B 464 8 HET MSE B 525 8 HET MSE B 536 8 HET MSE B 563 8 HET MSE B 584 8 HET MSE B 618 8 HET MSE B 631 8 SSBOND 1 CYS A 333 CYS A 344 1555 1555 2.06 SSBOND 2 CYS B 333 CYS B 344 1555 1555 2.06 >MET?A 146 22.34 82.58 79.12 22.28 79.07 78.62 22.31 80.82 78.87 2 0 1000.00 -999 ? >ASN.A 147 19.20 85.60 80.83 18.60 84.50 82.54 18.90 85.05 81.68 2 0 1000.00 -999 ? >ALA.A 148 21.29 88.52 83.14 21.58 89.94 82.67 21.44 89.23 82.90 2 0 1000.00 -999 ? >THR.A 149 17.80 88.88 84.38 15.94 89.10 83.33 16.87 88.99 83.86 2 0 1000.00 -999 ? >ILE.A 150 16.14 84.33 84.79 14.93 83.53 84.54 15.54 83.93 84.67 3 0 1000.00 -999 ? >ASN.A 151 21.02 83.09 85.06 20.23 81.14 84.84 20.63 82.11 84.95 2 0 1000.00 -999 ? >ASP.A 152 22.33 87.07 88.42 20.35 87.29 89.13 21.34 87.18 88.78 2 0 1000.00 -999 ? >ASP.A 153 24.91 85.16 83.19 24.37 83.13 83.50 24.64 84.15 83.35 2 0 1000.00 -999 ? >ASP.A 154 25.06 90.72 83.93 23.43 91.05 85.29 24.25 90.88 84.61 2 0 1000.00 -999 ? >ILE.A 155 26.62 88.88 89.17 25.95 88.98 90.45 26.28 88.93 89.81 3 0 1000.00 -999 ? >ASP.A 156 31.90 90.91 88.03 33.22 91.16 86.46 32.56 91.03 87.24 2 0 1000.00 -999 ? >ASP~A 157 30.66 87.51 92.11 31.22 89.31 93.06 30.94 88.41 92.58 2 0 1000.00 -999 ? >VAL~A 158 29.27 84.78 88.86 27.10 84.46 88.57 28.18 84.62 88.72 3 0 1000.00 -999 ? >LYS~A 159 31.59 84.97 85.87 31.04 90.36 83.74 31.32 87.66 84.80 2 0 1000.00 -999 ? >LYS~A 160 34.44 83.89 88.11 35.91 89.65 90.13 35.18 86.77 89.12 2 0 1000.00 -999 ? >ALA~A 161 32.89 80.67 89.34 31.45 80.29 89.14 32.17 80.48 89.24 2 0 1000.00 -999 ? >LEU.A 162 36.31 77.79 88.98 37.69 79.00 87.89 37.00 78.40 88.44 3 0 1000.00 -999 ? >ASP.A 163 34.28 72.94 87.10 33.16 73.71 85.48 33.72 73.32 86.29 2 0 1000.00 -999 ? >HIS.A 164 37.49 70.98 88.59 36.21 69.35 88.21 36.85 70.16 88.40 3 0 1000.00 -999 ? >ALA~A 165 39.86 75.36 92.09 39.47 75.49 93.56 39.67 75.42 92.82 2 0 1000.00 -999 ? >THR~A 166 43.31 73.74 91.70 43.65 71.63 91.86 43.48 72.69 91.78 2 0 1000.00 -999 ? >GLN~A 167 45.48 73.85 86.78 47.18 73.26 88.02 46.33 73.55 87.40 2 0 1000.00 -999 ? >ALA~A 168 43.39 78.83 89.59 41.93 79.22 89.68 42.66 79.03 89.63 2 0 1000.00 -999 ? >ALA~A 169 44.78 78.43 93.11 44.50 77.26 94.07 44.64 77.84 93.59 2 0 1000.00 -999 ? >HIS~A 170 48.70 75.17 91.64 48.69 73.28 92.57 48.69 74.22 92.10 3 0 1000.00 -999 ? >LYS~A 171 48.01 80.66 89.43 46.23 82.53 85.60 47.12 81.59 87.51 2 0 1000.00 -999 ? >ALA~A 172 47.02 82.93 92.29 45.81 82.72 93.18 46.42 82.83 92.73 2 0 1000.00 -999 ? >ALA~A 173 49.94 81.60 94.31 50.20 80.14 94.55 50.07 80.87 94.43 2 0 1000.00 -999 ? >ALA~A 174 52.34 82.27 91.44 52.21 81.66 90.08 52.27 81.96 90.76 2 0 1000.00 -999 ? >GLU~A 175 49.11 87.51 90.55 47.04 87.90 90.35 48.08 87.71 90.45 2 0 1000.00 -999 ? >LEU~A 176 50.30 85.92 95.71 49.34 87.07 97.26 49.82 86.50 96.49 3 0 1000.00 -999 ? >THR~A 177 54.64 85.27 94.92 55.71 83.40 95.02 55.17 84.34 94.97 2 0 1000.00 -999 ? >ALA~A 178 55.80 87.44 92.00 55.16 87.49 90.64 55.48 87.46 91.32 2 0 1000.00 -999 ? >LYS~A 179 54.35 90.46 93.78 48.79 90.85 92.08 51.57 90.65 92.93 2 0 1000.00 -999 ? >LEU~A 180 56.03 88.48 97.77 54.25 88.66 98.99 55.14 88.57 98.38 3 0 1000.00 -999 ? >ARG.A 181 61.37 87.94 91.46 61.91 90.92 90.91 61.64 89.43 91.19 2 0 1000.00 -999 ? >SER.A 182 62.58 91.05 96.12 62.80 92.60 97.98 62.69 91.83 97.05 2 0 1000.00 -999 ? >ASP.A 183 66.21 93.31 94.02 66.11 92.49 92.09 66.16 92.90 93.05 2 0 1000.00 -999 ? >PHE^A 184 69.89 90.39 98.19 69.44 88.00 99.51 69.67 89.20 98.85 3 0 1000.00 -999 ? >VAL^A 185 69.87 96.00 98.81 68.45 97.65 98.75 69.16 96.82 98.78 3 0 1000.00 -999 ? >GLU^A 186 75.22 97.51 101.35 76.65 99.06 101.44 75.93 98.28 101.39 2 0 1000.00 -999 ? >TYR^A 187 69.70 95.71 105.07 67.25 94.55 104.40 68.47 95.13 104.74 3 0 1000.00 -999 ? >GLY^A 188 74.78 99.01 105.58 74.94 98.27 105.28 74.86 98.64 105.43 1 0 1000.00 -999 ? >ASN^A 189 79.21 99.06 104.62 78.90 101.10 104.17 79.05 100.08 104.40 2 0 1000.00 -999 ? >GLY.A 190 81.54 98.80 108.28 81.39 99.28 107.57 81.46 99.04 107.92 1 0 1000.00 -999 ? >GLY.A 191 83.72 101.89 108.50 83.72 101.11 108.07 83.72 101.50 108.28 1 0 1000.00 -999 ? >THR.A 192 85.54 102.07 105.13 84.54 103.61 103.98 85.04 102.84 104.55 2 0 1000.00 -999 ? >ALA.A 193 88.80 101.45 107.01 89.33 102.48 107.99 89.07 101.97 107.50 2 0 1000.00 -999 ? >GLY.A 194 90.08 98.18 108.49 90.29 98.29 107.70 90.19 98.24 108.10 1 0 1000.00 -999 ? >GLN.A 195 93.71 94.68 109.18 93.06 95.34 111.10 93.39 95.01 110.14 2 0 1000.00 -999 ? >VAL.A 196 88.40 94.01 106.15 87.87 92.00 106.80 88.14 93.01 106.47 3 0 1000.00 -999 ? >LEU^A 197 85.60 96.49 103.07 86.71 98.33 103.46 86.16 97.41 103.27 3 0 1000.00 -999 ? >ILE^A 198 81.92 94.62 107.21 81.95 93.76 108.45 81.93 94.19 107.83 3 0 1000.00 -999 ? >HIS^A 199 79.96 96.17 101.76 81.14 97.80 101.18 80.55 96.98 101.47 3 0 1000.00 -999 ? >ILE^A 200 74.93 94.07 106.17 74.71 93.83 107.55 74.82 93.95 106.86 3 0 1000.00 -999 ? >TYR^A 201 74.35 93.12 100.44 76.63 94.33 99.46 75.49 93.73 99.95 3 0 1000.00 -999 ? >GLY^A 202 69.00 91.96 102.67 69.11 92.53 102.05 69.05 92.24 102.36 1 0 1000.00 -999 ? >PRO^A 203 65.13 90.18 102.05 66.25 91.92 101.19 65.69 91.05 101.62 3 0 1000.00 -999 ? >GLY.A 204 64.34 95.40 99.53 63.91 94.76 99.89 64.12 95.08 99.71 1 0 1000.00 -999 ? >LEU.A 205 59.81 94.27 99.67 57.68 94.52 99.91 58.75 94.40 99.79 3 0 1000.00 -999 ? >ILE^A 206 60.95 92.24 105.09 61.97 91.67 106.00 61.46 91.96 105.54 3 0 1000.00 -999 ? >TYR^A 207 54.02 91.10 103.89 51.36 91.49 104.69 52.69 91.29 104.29 3 0 1000.00 -999 ? >GLY.A 208 55.34 91.72 108.07 56.07 91.56 107.80 55.71 91.64 107.93 1 0 1000.00 -999 ? >PHE.A 209 55.64 89.93 112.46 54.45 91.98 113.91 55.05 90.96 113.18 3 0 1000.00 -999 ? >SER.A 210 58.94 87.17 107.92 57.58 87.82 106.05 58.26 87.49 106.98 2 0 1000.00 -999 ? >ALA.A 211 62.40 85.71 108.20 62.68 84.27 108.58 62.54 84.99 108.39 2 0 1000.00 -999 ? >PHE^A 212 64.97 89.19 106.44 65.83 90.70 108.62 65.40 89.94 107.53 3 0 1000.00 -999 ? >PRO^A 213 66.96 86.06 101.80 67.40 86.21 104.02 67.18 86.14 102.91 3 0 1000.00 -999 ? >VAL^A 214 70.97 88.27 104.97 71.15 89.44 106.79 71.06 88.85 105.88 3 0 1000.00 -999 ? >GLN^A 215 74.03 87.21 100.75 73.87 87.38 98.64 73.95 87.29 99.70 2 0 1000.00 -999 ? >ILE^A 216 77.85 89.12 105.89 77.87 89.08 107.21 77.86 89.10 106.55 3 0 1000.00 -999 ? >ARG^A 217 80.74 92.17 98.78 80.43 90.42 96.30 80.58 91.29 97.54 2 0 1000.00 -999 ? >LEU^A 218 84.35 89.61 104.44 83.42 89.24 106.35 83.88 89.43 105.40 3 0 1000.00 -999 ? >GLU^A 219 85.03 93.88 100.07 84.67 95.98 99.91 84.85 94.93 99.99 2 0 1000.00 -999 ? >ILE^A 220 90.89 90.16 102.17 90.73 89.83 103.54 90.81 90.00 102.86 3 0 1000.00 -999 ? >PRO.A 221 91.73 95.61 102.54 91.66 94.05 100.90 91.69 94.83 101.72 3 0 1000.00 -999 ? >ASN.A 222 95.68 94.18 97.27 96.92 92.79 96.27 96.30 93.49 96.77 2 0 1000.00 -999 ? >GLN.A 223 98.67 93.83 103.22 96.64 94.36 103.64 97.66 94.10 103.43 2 0 1000.00 -999 ? >PRO.A 224 101.34 97.54 101.61 101.28 95.73 100.27 101.31 96.63 100.94 3 0 1000.00 -999 ? >VAL.A 225 103.32 92.49 101.23 104.92 92.43 102.72 104.12 92.46 101.98 3 0 1000.00 -999 ? >PRO.A 226 103.72 89.93 97.89 102.30 89.96 99.66 103.01 89.94 98.77 3 0 1000.00 -999 ? >PHE.A 227 104.63 86.70 101.85 106.42 86.62 99.73 105.53 86.66 100.79 3 0 1000.00 -999 ? >ASN.A 228 100.74 91.19 104.85 102.64 91.75 105.57 101.69 91.47 105.21 2 0 1000.00 -999 ? >LYS.A 229 97.53 87.42 104.94 98.94 82.07 101.88 98.24 84.74 103.41 2 0 1000.00 -999 ? >VAL^A 230 94.37 88.32 106.83 93.08 90.04 106.69 93.72 89.18 106.76 3 0 1000.00 -999 ? >HIS^A 231 95.03 84.05 109.39 96.67 82.97 108.64 95.85 83.51 109.02 3 0 1000.00 -999 ? >ILE^A 232 88.16 85.67 108.98 87.26 86.57 108.27 87.71 86.12 108.62 3 0 1000.00 -999 ? >THR^A 233 88.80 83.57 113.22 90.33 83.55 114.71 89.56 83.56 113.97 2 0 1000.00 -999 ? >GLU^A 234 83.71 84.26 116.00 83.63 85.03 117.96 83.67 84.64 116.98 2 0 1000.00 -999 ? >VAL^A 235 82.34 86.18 112.33 82.24 86.97 110.31 82.29 86.58 111.32 3 0 1000.00 -999 ? >THR^A 236 79.22 86.82 114.36 79.22 86.62 116.51 79.22 86.72 115.43 2 0 1000.00 -999 ? >ALA^A 237 75.94 88.34 113.22 75.67 88.36 111.72 75.80 88.35 112.47 2 0 1000.00 -999 ? >TYR^A 238 73.83 89.80 117.12 75.49 91.69 118.28 74.66 90.74 117.70 3 0 1000.00 -999 ? >VAL^A 239 69.58 91.22 115.19 67.60 91.06 114.29 68.59 91.14 114.74 3 0 1000.00 -999 ? >ILE^A 240 70.79 94.59 118.18 71.59 95.77 118.45 71.19 95.18 118.31 3 0 1000.00 -999 ? >ASP^A 241 65.20 95.04 119.88 65.64 94.58 121.89 65.42 94.81 120.89 2 0 1000.00 -999 ? >GLU.A 242 63.72 99.86 121.06 61.98 100.75 120.23 62.85 100.31 120.64 2 0 1000.00 -999 ? >ASN.A 243 65.80 97.09 124.89 63.86 97.85 124.50 64.83 97.47 124.70 2 0 1000.00 -999 ? >ASN.A 244 71.15 96.60 124.15 71.88 98.50 123.56 71.51 97.55 123.85 2 0 1000.00 -999 ? >ARG.A 245 65.39 90.97 124.68 63.35 88.68 124.63 64.37 89.82 124.65 2 0 1000.00 -999 ? >THR^A 246 69.75 90.42 120.47 71.78 90.32 121.19 70.77 90.37 120.83 2 0 1000.00 -999 ? >TYR^A 247 65.93 88.90 118.79 64.41 90.81 120.14 65.17 89.86 119.47 3 0 1000.00 -999 ? >TRP^A 248 65.96 86.20 115.17 64.64 82.86 116.76 65.30 84.53 115.96 3 0 1000.00 -999 ? >THR^A 249 72.85 85.32 116.71 73.89 86.01 118.47 73.37 85.66 117.59 2 0 1000.00 -999 ? >ARG^A 250 75.50 81.55 111.68 76.93 79.28 110.22 76.22 80.42 110.95 2 0 1000.00 -999 ? >VAL^A 251 78.40 82.42 114.50 79.50 82.54 116.38 78.95 82.48 115.44 3 0 1000.00 -999 ? >TRP^A 252 79.54 80.97 108.77 77.29 84.18 109.12 78.41 82.57 108.95 3 0 1000.00 -999 ? >ASN^A 253 83.97 78.87 114.89 83.60 76.86 114.27 83.78 77.86 114.58 2 0 1000.00 -999 ? >SER.A 254 87.53 79.67 112.40 88.83 78.40 113.97 88.18 79.03 113.18 2 0 1000.00 -999 ? >SER~A 255 86.75 76.22 110.92 86.44 74.44 112.57 86.60 75.33 111.75 2 0 1000.00 -999 ? >THR~A 256 84.64 78.01 108.34 82.75 79.04 108.54 83.70 78.53 108.44 2 0 1000.00 -999 ? >PHE~A 257 86.54 82.06 107.86 84.15 83.41 108.31 85.35 82.73 108.08 3 0 1000.00 -999 ? >ARG.A 258 92.07 79.96 101.60 90.00 79.72 99.33 91.03 79.84 100.46 2 0 1000.00 -999 ? >GLN.A 259 93.17 75.37 107.08 92.33 74.92 108.97 92.75 75.14 108.03 2 0 1000.00 -999 ? >GLY.A 260 96.18 79.95 105.37 95.48 80.27 105.59 95.83 80.11 105.48 1 0 1000.00 -999 ? >GLY.A 261 94.32 83.24 105.71 94.36 82.77 105.02 94.34 83.01 105.37 1 0 1000.00 -999 ? >TYR.A 262 90.95 84.91 103.28 89.22 82.82 103.79 90.08 83.86 103.54 3 0 1000.00 -999 ? >ILE.A 263 96.48 88.28 100.59 97.59 88.63 100.23 97.04 88.45 100.41 3 0 1000.00 -999 ? >ALA.A 264 93.26 90.41 98.06 94.19 90.71 96.90 93.73 90.56 97.48 2 0 1000.00 -999 ? >ASP^A 265 90.32 87.19 98.98 89.82 85.46 97.93 90.07 86.33 98.45 2 0 1000.00 -999 ? >THR^A 266 86.21 88.51 98.65 84.96 89.79 97.50 85.59 89.15 98.07 2 0 1000.00 -999 ? >LEU^A 267 84.73 86.13 102.33 86.61 85.06 102.39 85.67 85.59 102.36 3 0 1000.00 -999 ? >ASP^A 268 79.66 85.61 99.52 79.94 87.15 98.08 79.80 86.38 98.80 2 0 1000.00 -999 ? >LEU^A 269 78.92 85.21 105.36 80.63 84.53 106.50 79.77 84.87 105.93 3 0 1000.00 -999 ? >VAL^A 270 74.77 83.90 103.88 73.75 83.56 101.99 74.26 83.73 102.93 3 0 1000.00 -999 ? >THR^A 271 72.38 83.69 106.79 72.61 84.53 108.78 72.49 84.11 107.79 2 0 1000.00 -999 ? >VAL^A 272 68.69 84.00 107.69 67.32 82.45 107.06 68.00 83.23 107.38 3 0 1000.00 -999 ? >MET?A 273 67.36 86.58 110.13 70.40 87.25 112.04 68.88 86.91 111.08 2 0 1000.00 -999 ? >LYS^A 274 64.13 87.86 111.69 59.16 84.92 114.14 61.65 86.39 112.91 2 0 1000.00 -999 ? >ALA^A 275 62.92 90.92 113.62 62.12 92.04 113.01 62.52 91.48 113.31 2 0 1000.00 -999 ? >PRO^A 276 62.49 92.76 117.57 61.63 91.00 116.48 62.06 91.88 117.03 3 0 1000.00 -999 ? >ASP^A 277 58.12 87.61 116.11 56.39 86.98 115.09 57.26 87.29 115.60 2 0 1000.00 -999 ? >PRO^A 278 55.42 91.68 118.77 55.80 89.50 119.14 55.61 90.59 118.95 3 0 1000.00 -999 ? >LEU^A 279 51.68 87.72 117.17 50.12 89.13 117.64 50.90 88.43 117.40 3 0 1000.00 -999 ? >VAL^A 280 54.48 84.10 117.32 56.57 83.38 117.37 55.52 83.74 117.34 3 0 1000.00 -999 ? >TYR^A 281 56.07 82.05 121.60 58.84 81.92 121.27 57.46 81.98 121.43 3 0 1000.00 -999 ? >GLN^A 282 50.59 85.34 121.89 49.66 87.15 122.43 50.12 86.25 122.16 2 0 1000.00 -999 ? >ILE^A 283 50.28 82.57 116.05 49.15 83.17 115.26 49.71 82.87 115.66 3 0 1000.00 -999 ? >ARG^A 284 54.26 76.71 119.43 55.09 78.50 121.78 54.68 77.61 120.60 2 0 1000.00 -999 ? >ASP^A 285 48.92 79.11 122.20 50.72 79.39 123.23 49.82 79.25 122.72 2 0 1000.00 -999 ? >ALA^A 286 46.06 79.18 119.03 46.01 80.47 118.25 46.04 79.83 118.64 2 0 1000.00 -999 ? >ILE^A 287 48.25 76.58 115.50 48.95 76.62 114.32 48.60 76.60 114.91 3 0 1000.00 -999 ? >VAL^A 288 47.48 73.84 118.94 49.19 73.13 120.08 48.33 73.49 119.51 3 0 1000.00 -999 ? >THR^A 289 44.56 74.42 121.30 45.19 75.92 122.68 44.88 75.17 121.99 2 0 1000.00 -999 ? >GLY^A 290 42.19 76.06 118.82 42.41 76.42 119.54 42.30 76.24 119.18 1 0 1000.00 -999 ? >GLN^A 291 41.56 77.18 123.53 42.61 76.95 125.39 42.09 77.06 124.46 2 0 1000.00 -999 ? >ILE^A 292 40.86 81.80 118.07 41.36 81.72 116.79 41.11 81.76 117.43 3 0 1000.00 -999 ? >SER^A 293 39.31 84.86 121.32 41.07 85.97 122.58 40.19 85.41 121.95 2 0 1000.00 -999 ? >ARG^A 294 36.44 89.82 117.97 34.79 92.01 116.65 35.62 90.92 117.31 2 0 1000.00 -999 ? >GLU^A 295 40.53 89.72 124.34 38.48 89.12 124.04 39.51 89.42 124.19 2 0 1000.00 -999 ? >LEU^A 296 43.97 86.00 120.14 45.66 84.91 119.33 44.82 85.46 119.73 3 0 1000.00 -999 ? >TYR^A 297 39.96 87.95 115.33 39.10 88.63 112.79 39.53 88.29 114.06 3 0 1000.00 -999 ? >ASP^A 298 41.42 92.62 117.94 39.31 92.47 118.06 40.36 92.55 118.00 2 0 1000.00 -999 ? >LYS^A 299 45.59 91.55 118.07 49.50 89.96 122.69 47.54 90.75 120.38 2 0 1000.00 -999 ? >ILE^A 300 45.88 88.49 114.30 45.78 87.18 113.89 45.83 87.83 114.10 3 0 1000.00 -999 ? >TRP^A 301 42.50 90.79 112.49 44.30 88.69 109.71 43.40 89.74 111.10 3 0 1000.00 -999 ? >ASN^A 302 45.70 95.83 115.99 43.74 95.99 115.13 44.72 95.91 115.56 2 0 1000.00 -999 ? >THR^A 303 50.19 94.39 116.04 50.91 92.84 117.28 50.55 93.61 116.66 2 0 1000.00 -999 ? >SER^A 304 52.97 96.26 114.27 51.98 98.45 114.29 52.48 97.35 114.28 2 0 1000.00 -999 ? >THR^A 305 56.43 95.25 113.17 56.43 95.32 111.01 56.43 95.29 112.09 2 0 1000.00 -999 ? >THR^A 306 59.21 96.08 115.66 59.61 95.06 117.51 59.41 95.57 116.59 2 0 1000.00 -999 ? >HIS^A 307 61.63 100.83 114.80 60.64 102.41 113.86 61.14 101.62 114.33 3 0 1000.00 -999 ? >PHE^A 308 65.12 94.67 113.18 64.88 94.01 110.47 65.00 94.34 111.82 3 0 1000.00 -999 ? >GLU^A 309 69.28 99.10 113.74 69.09 99.88 111.79 69.18 99.49 112.76 2 0 1000.00 -999 ? >ILE^A 310 71.56 93.24 110.87 71.26 92.08 110.05 71.41 92.66 110.46 3 0 1000.00 -999 ? >ARG^A 311 76.31 94.95 117.02 75.16 97.03 118.99 75.74 95.99 118.01 2 0 1000.00 -999 ? >VAL^A 312 78.26 92.02 112.41 78.28 91.31 110.35 78.27 91.67 111.38 3 0 1000.00 -999 ? >ILE^A 313 81.39 91.17 115.75 81.57 91.74 117.13 81.48 91.45 116.44 3 0 1000.00 -999 ? >VAL^A 314 84.65 90.13 112.52 84.79 90.18 110.33 84.72 90.16 111.43 3 0 1000.00 -999 ? >LYS^A 315 87.65 88.92 114.46 84.91 89.04 120.17 86.28 88.98 117.31 2 0 1000.00 -999 ? >GLY^A 316 91.06 87.57 113.51 91.13 88.37 113.81 91.10 87.97 113.66 1 0 1000.00 -999 ? >TYR^A 317 95.91 86.60 113.35 96.57 84.03 112.56 96.24 85.31 112.95 3 0 1000.00 -999 ? >GLN^A 318 97.36 91.49 108.09 97.01 93.34 107.11 97.19 92.42 107.60 2 0 1000.00 -999 ? >GLU^A 319 99.94 86.07 108.96 100.47 84.44 107.69 100.21 85.26 108.32 2 0 1000.00 -999 ? >ALA^A 320 103.23 90.99 109.31 103.47 91.94 110.48 103.35 91.46 109.90 2 0 1000.00 -999 ? >TRP^A 321 103.97 87.71 106.76 105.90 84.36 105.99 104.93 86.04 106.38 3 0 1000.00 -999 ? >LYS^A 322 109.71 91.64 106.94 106.60 94.82 110.33 108.16 93.23 108.64 2 0 1000.00 -999 ? >THR^A 323 112.79 90.93 104.80 113.02 92.40 103.24 112.90 91.66 104.02 2 0 1000.00 -999 ? >ASP^A 324 115.41 87.49 106.90 116.97 86.81 108.15 116.19 87.15 107.53 2 0 1000.00 -999 ? >SER^A 325 118.51 91.05 105.52 119.44 93.26 105.14 118.98 92.15 105.33 2 0 1000.00 -999 ? >SER^A 326 120.88 88.29 106.68 120.08 86.70 108.36 120.48 87.49 107.52 2 0 1000.00 -999 ? >VAL^A 327 120.03 85.81 103.91 118.52 84.23 104.00 119.27 85.02 103.95 3 0 1000.00 -999 ? >SER^A 328 121.87 86.10 100.61 123.79 84.75 101.24 122.83 85.42 100.93 2 0 1000.00 -999 ? >ASN^A 329 121.56 82.35 98.18 122.20 81.25 99.90 121.88 81.80 99.04 2 0 1000.00 -999 ? >GLN^A 330 116.54 82.12 95.69 115.47 81.70 93.91 116.01 81.91 94.80 2 0 1000.00 -999 ? >SER^A 331 119.06 78.28 99.11 120.48 77.69 97.24 119.77 77.98 98.18 2 0 1000.00 -999 ? >SER^A 332 119.65 79.79 102.52 122.04 80.14 102.24 120.85 79.96 102.38 2 0 1000.00 -999 ? >CSS^A 333 116.12 81.15 102.85 113.89 82.77 102.26 115.00 81.96 102.55 2 0 1000.00 -999 ? >PRO^A 334 114.84 80.78 106.93 114.68 79.52 105.08 114.76 80.15 106.01 3 0 1000.00 -999 ? >SER^A 335 111.64 76.52 104.43 111.39 75.09 106.38 111.51 75.80 105.40 2 0 1000.00 -999 ? >ASP^A 336 108.74 78.71 107.71 110.43 79.34 108.76 109.58 79.03 108.24 2 0 1000.00 -999 ? >GLY^A 337 110.36 81.92 104.85 110.10 81.24 104.45 110.23 81.58 104.65 1 0 1000.00 -999 ? >HIS^A 338 107.28 82.84 101.67 105.78 81.58 102.42 106.53 82.21 102.04 3 0 1000.00 -999 ? >TRP^A 339 114.27 84.48 95.78 117.35 85.73 97.88 115.81 85.10 96.83 3 0 1000.00 -999 ? >TYR^A 340 108.35 87.82 96.72 106.48 89.58 95.64 107.41 88.70 96.18 3 0 1000.00 -999 ? >GLU^A 341 109.93 91.11 94.29 109.10 93.07 94.43 109.52 92.09 94.36 2 0 1000.00 -999 ? >ASP^A 342 116.45 89.67 94.65 116.25 89.32 92.60 116.35 89.49 93.62 2 0 1000.00 -999 ? >ALA^A 343 115.10 88.96 99.23 114.63 90.28 99.77 114.86 89.62 99.50 2 0 1000.00 -999 ? >CSS^A 344 114.20 86.34 101.79 114.54 84.26 103.52 114.37 85.30 102.66 2 0 1000.00 -999 ? >TRP^A 345 110.57 88.80 100.57 109.12 92.27 101.67 109.84 90.53 101.12 3 0 1000.00 -999 ? >VAL^A 346 110.14 86.04 106.96 111.59 85.69 108.59 110.86 85.87 107.78 3 0 1000.00 -999 ? >HIS^A 347 104.99 85.12 110.18 103.19 85.35 111.24 104.09 85.23 110.71 3 0 1000.00 -999 ? >ASP^A 348 107.65 90.27 111.63 108.23 91.44 113.29 107.94 90.85 112.46 2 0 1000.00 -999 ? >LYS^A 349 104.36 89.32 114.07 105.04 95.58 114.39 104.70 92.45 114.23 2 0 1000.00 -999 ? >ASP^A 350 100.05 87.48 114.61 100.74 85.93 113.36 100.40 86.71 113.98 2 0 1000.00 -999 ? >ILE^A 351 98.54 93.05 113.79 99.17 94.18 113.40 98.86 93.62 113.59 3 0 1000.00 -999 ? >ASP^A 352 94.49 90.98 117.59 95.28 89.10 118.06 94.88 90.04 117.82 2 0 1000.00 -999 ? >PHE^A 353 91.34 92.43 112.52 90.83 90.31 110.79 91.08 91.37 111.66 3 0 1000.00 -999 ? >THR^A 354 87.98 93.31 115.87 87.10 92.80 117.76 87.54 93.05 116.81 2 0 1000.00 -999 ? >LEU^A 355 86.29 94.78 111.69 88.17 95.72 111.00 87.23 95.25 111.35 3 0 1000.00 -999 ? >LYS^A 356 82.23 95.69 113.61 78.34 97.80 116.98 80.28 96.74 115.29 2 0 1000.00 -999 ? >ALA^A 357 79.55 96.88 111.22 79.68 96.40 109.77 79.61 96.64 110.49 2 0 1000.00 -999 ? >GLU^A 358 74.38 98.66 113.57 74.41 99.58 115.44 74.39 99.12 114.50 2 0 1000.00 -999 ? >THR^A 359 72.91 98.67 109.58 71.79 96.83 109.33 72.35 97.75 109.46 2 0 1000.00 -999 ? >THR^A 360 70.86 101.85 109.64 72.15 103.59 109.57 71.50 102.72 109.61 2 0 1000.00 -999 ? >THR^A 361 67.07 101.82 109.56 66.23 103.75 109.02 66.65 102.78 109.29 2 0 1000.00 -999 ? >ALA^A 362 67.17 98.16 108.50 67.84 97.04 109.27 67.50 97.60 108.89 2 0 1000.00 -999 ? >TRP^A 363 64.43 100.04 112.22 61.89 102.78 110.96 63.16 101.41 111.59 3 0 1000.00 -999 ? >GLY^A 364 62.67 100.36 106.97 62.89 99.60 106.84 62.78 99.98 106.91 1 0 1000.00 -999 ? >HIS^A 365 64.92 97.40 103.81 66.71 98.45 103.52 65.82 97.93 103.66 3 0 1000.00 -999 ? >VAL^A 366 59.47 95.98 106.20 59.58 94.79 107.99 59.52 95.39 107.10 3 0 1000.00 -999 ? >THR^A 367 55.92 96.78 105.21 54.85 96.66 103.35 55.38 96.72 104.28 2 0 1000.00 -999 ? >GLY^A 368 52.75 95.99 107.14 52.73 96.28 106.36 52.74 96.13 106.75 1 0 1000.00 -999 ? >THR^A 369 50.21 97.03 104.49 50.18 98.34 102.73 50.19 97.68 103.61 2 0 1000.00 -999 ? >ASN^A 370 48.26 92.68 103.73 46.29 93.22 104.41 47.28 92.95 104.07 2 0 1000.00 -999 ? >ASP^A 371 47.03 97.19 100.07 46.07 97.98 101.74 46.55 97.58 100.90 2 0 1000.00 -999 ? >VAL^A 372 50.22 94.50 98.18 52.35 94.92 98.36 51.28 94.71 98.27 3 0 1000.00 -999 ? >ALA^A 373 48.80 90.98 98.62 48.93 90.26 99.94 48.86 90.62 99.28 2 0 1000.00 -999 ? >THR^A 374 45.90 91.13 96.18 44.69 92.80 95.64 45.29 91.96 95.91 2 0 1000.00 -999 ? >ILE^A 375 44.74 87.01 93.82 44.45 85.86 94.64 44.59 86.44 94.23 3 0 1000.00 -999 ? >ASP^A 376 44.05 89.73 88.98 45.76 90.98 88.89 44.91 90.36 88.94 2 0 1000.00 -999 ? >GLY^A 377 39.71 88.83 90.41 40.14 88.78 91.08 39.92 88.81 90.74 1 0 1000.00 -999 ? >GLY^A 378 39.74 87.38 93.93 39.31 88.01 93.56 39.52 87.69 93.74 1 0 1000.00 -999 ? >MET?A 379 36.33 87.81 95.54 32.36 86.37 94.95 34.34 87.09 95.24 2 0 1000.00 -999 ? >LEU^A 380 34.84 91.12 98.59 36.61 92.33 98.78 35.72 91.72 98.69 3 0 1000.00 -999 ? >GLY^A 381 31.77 88.62 100.57 32.11 88.12 100.05 31.94 88.37 100.31 1 0 1000.00 -999 ? >SER^A 382 29.03 86.38 99.27 27.30 84.89 100.11 28.17 85.64 99.69 2 0 1000.00 -999 ? >LEU^A 383 26.64 84.95 95.34 27.51 84.84 93.34 27.07 84.90 94.34 3 0 1000.00 -999 ? >PRO^A 384 23.36 88.73 95.39 23.82 87.07 96.84 23.59 87.90 96.12 3 0 1000.00 -999 ? >ILE^A 385 20.29 84.62 100.28 19.62 85.44 101.27 19.96 85.03 100.77 3 0 1000.00 -999 ? >LYS^A 386 19.14 83.56 95.91 19.63 83.42 90.39 19.39 83.49 93.15 2 0 1000.00 -999 ? >PHE^A 387 23.58 83.12 93.38 23.63 84.96 91.27 23.60 84.04 92.32 3 0 1000.00 -999 ? >LEU^A 388 20.81 79.15 98.75 21.88 79.16 100.63 21.34 79.16 99.69 3 0 1000.00 -999 ? >GLN^A 389 16.68 77.51 96.51 16.18 79.43 97.33 16.43 78.47 96.92 2 0 1000.00 -999 ? >SER^A 390 21.13 77.49 92.07 21.09 79.82 91.41 21.11 78.66 91.74 2 0 1000.00 -999 ? >LEU^A 391 21.19 73.15 89.93 19.99 71.48 90.65 20.59 72.32 90.29 3 0 1000.00 -999 ? >ASP^A 392 23.71 77.36 87.50 23.99 77.27 85.40 23.85 77.31 86.45 2 0 1000.00 -999 ? >LEU^A 393 26.35 78.44 91.71 26.91 80.17 90.53 26.63 79.31 91.12 3 0 1000.00 -999 ? >SER^A 394 26.45 73.96 93.16 25.20 72.08 92.19 25.82 73.02 92.67 2 0 1000.00 -999 ? >GLY^A 395 29.98 72.61 93.52 29.84 73.37 93.27 29.91 72.99 93.39 1 0 1000.00 -999 ? >LYS^A 396 31.69 75.69 92.09 29.98 74.36 87.83 30.84 75.02 89.96 2 0 1000.00 -999 ? >TRP^A 397 35.57 74.48 93.25 35.98 73.64 97.06 35.77 74.06 95.15 3 0 1000.00 -999 ? >VAL^A 398 35.92 81.18 93.51 34.13 82.32 93.86 35.03 81.75 93.68 3 0 1000.00 -999 ? >LEU^A 399 40.44 82.86 93.98 41.89 81.37 93.34 41.17 82.12 93.66 3 0 1000.00 -999 ? >TYR^A 400 36.72 84.28 99.03 33.96 84.17 98.99 35.34 84.22 99.01 3 0 1000.00 -999 ? >GLN^A 401 40.30 89.90 97.16 41.97 89.87 95.85 41.13 89.88 96.51 2 0 1000.00 -999 ? >ASN^A 402 43.65 85.91 102.03 42.75 84.00 101.83 43.20 84.95 101.93 2 0 1000.00 -999 ? >LYS^A 403 43.75 89.44 104.64 40.88 91.08 109.29 42.32 90.26 106.97 2 0 1000.00 -999 ? >TYR^A 404 47.91 87.42 103.46 47.18 85.88 101.27 47.55 86.65 102.37 3 0 1000.00 -999 ? >ALA^A 405 49.45 88.88 108.82 48.73 89.20 110.12 49.09 89.04 109.47 2 0 1000.00 -999 ? >GLY^A 406 52.81 87.28 109.64 52.82 87.72 108.98 52.82 87.50 109.31 1 0 1000.00 -999 ? >ALA^A 407 55.54 85.76 107.47 56.33 84.57 107.97 55.93 85.17 107.72 2 0 1000.00 -999 ? >LEU^A 408 53.00 87.58 103.75 51.35 87.47 102.33 52.17 87.53 103.04 3 0 1000.00 -999 ? >SER^A 409 57.33 86.68 102.37 58.07 88.97 102.67 57.70 87.83 102.52 2 0 1000.00 -999 ? >ASP^A 410 58.45 82.76 104.94 59.75 84.11 105.92 59.10 83.44 105.43 2 0 1000.00 -999 ? >PHE^A 411 54.46 80.00 104.60 53.61 80.08 107.25 54.04 80.04 105.93 3 0 1000.00 -999 ? >ILE^A 412 51.38 82.71 100.03 51.93 82.86 98.62 51.65 82.79 99.32 3 0 1000.00 -999 ? >ILE^A 413 47.26 80.73 103.06 46.71 79.99 104.23 46.98 80.36 103.65 3 0 1000.00 -999 ? >ILE^A 414 45.84 80.39 97.34 45.78 81.64 96.76 45.81 81.01 97.05 3 0 1000.00 -999 ? >THR^A 415 41.81 80.41 99.57 40.79 81.04 101.38 41.30 80.73 100.48 2 0 1000.00 -999 ? >ALA^A 416 39.23 78.98 97.25 39.55 78.03 96.15 39.39 78.51 96.70 2 0 1000.00 -999 ? >ALA^A 417 35.70 78.57 98.58 35.52 79.42 99.82 35.61 78.99 99.20 2 0 1000.00 -999 ? >SER^A 418 32.01 78.37 97.60 31.32 76.46 98.89 31.67 77.41 98.24 2 0 1000.00 -999 ? >PRO^A 419 30.43 80.54 94.33 30.84 81.03 96.53 30.63 80.79 95.43 3 0 1000.00 -999 ? >VAL^A 420 27.61 81.73 98.78 25.81 81.34 97.71 26.71 81.53 98.25 3 0 1000.00 -999 ? >HIS^A 421 30.14 82.20 102.33 31.86 81.46 101.39 31.00 81.83 101.86 3 0 1000.00 -999 ? >VAL^A 422 24.31 82.06 104.39 22.59 82.30 103.07 23.45 82.18 103.73 3 0 1000.00 -999 ? >LEU^A 423 22.52 82.19 108.94 23.54 83.45 110.43 23.03 82.82 109.68 3 0 1000.00 -999 ? >ASN^A 424 20.57 77.67 108.66 20.08 77.59 110.72 20.33 77.63 109.69 2 0 1000.00 -999 ? >SER^A 425 23.76 76.75 105.16 22.95 76.81 102.91 23.35 76.78 104.03 2 0 1000.00 -999 ? >THR^A 426 27.01 74.95 104.28 27.35 72.83 104.54 27.18 73.89 104.41 2 0 1000.00 -999 ? >ALA^A 427 30.10 76.23 102.40 30.41 77.72 102.58 30.26 76.98 102.49 2 0 1000.00 -999 ? >MET?A 428 33.31 74.51 101.15 32.27 71.20 100.48 32.79 72.86 100.82 2 0 1000.00 -999 ? >TYR^A 429 36.31 77.67 103.47 34.63 79.71 104.30 35.47 78.69 103.89 3 0 1000.00 -999 ? >LYS^A 430 40.05 74.71 100.15 41.44 70.49 96.36 40.75 72.60 98.25 2 0 1000.00 -999 ? >PHE^A 431 42.44 77.11 103.42 40.28 78.26 104.79 41.36 77.69 104.10 3 0 1000.00 -999 ? >LEU^A 432 46.80 76.65 97.98 47.97 75.60 96.57 47.38 76.13 97.27 3 0 1000.00 -999 ? >ILE^A 433 50.02 75.70 102.78 50.06 75.75 104.27 50.04 75.72 103.52 3 0 1000.00 -999 ? >THR^A 434 52.94 77.20 99.31 52.39 77.60 97.24 52.66 77.40 98.27 2 0 1000.00 -999 ? >PRO^A 435 57.08 75.86 99.29 55.89 77.58 100.11 56.48 76.72 99.70 3 0 1000.00 -999 ? >ASN^A 436 57.16 82.59 99.28 57.74 84.24 98.10 57.45 83.41 98.69 2 0 1000.00 -999 ? >PRO^A 437 57.93 80.11 94.56 59.35 80.40 96.32 58.64 80.26 95.44 3 0 1000.00 -999 ? >GLY^A 438 63.59 80.90 96.58 62.92 81.31 96.83 63.25 81.11 96.71 1 0 1000.00 -999 ? >TYR^A 439 61.70 85.41 100.35 61.85 87.78 101.79 61.77 86.59 101.07 3 0 1000.00 -999 ? >PHE^A 440 64.63 81.89 102.81 62.58 82.21 104.68 63.61 82.05 103.74 3 0 1000.00 -999 ? >GLN^A 441 67.14 81.61 95.61 68.48 79.95 95.74 67.81 80.78 95.67 2 0 1000.00 -999 ? >PRO^A 442 72.62 84.10 98.18 70.81 82.75 98.15 71.71 83.43 98.17 3 0 1000.00 -999 ? >ALA^A 443 70.35 80.51 101.33 69.92 81.19 102.64 70.13 80.85 101.99 2 0 1000.00 -999 ? >ASN^A 444 68.71 76.50 100.08 67.25 75.16 99.32 67.98 75.83 99.70 2 0 1000.00 -999 ? >PRO^A 445 66.42 78.91 104.71 66.91 76.85 103.96 66.66 77.88 104.34 3 0 1000.00 -999 ? >LYS^A 446 64.17 73.69 104.97 64.51 70.65 110.47 64.34 72.17 107.72 2 0 1000.00 -999 ? >ILE^A 447 60.04 75.88 105.43 59.68 77.23 105.10 59.86 76.55 105.26 3 0 1000.00 -999 ? >SER^A 448 58.33 72.57 108.23 60.34 71.78 109.20 59.34 72.18 108.71 2 0 1000.00 -999 ? >ASP^A 449 55.63 71.74 111.32 55.03 69.94 112.07 55.33 70.84 111.69 2 0 1000.00 -999 ? >GLU^A 450 50.65 72.25 113.90 51.10 71.85 115.98 50.88 72.05 114.94 2 0 1000.00 -999 ? >TYR^A 451 47.45 72.82 108.93 46.40 70.29 108.39 46.92 71.56 108.66 3 0 1000.00 -999 ? >ARG^A 452 43.22 75.22 115.41 42.73 72.63 116.97 42.98 73.92 116.19 2 0 1000.00 -999 ? >PHE^A 453 42.98 75.78 107.36 45.36 75.99 105.94 44.17 75.89 106.65 3 0 1000.00 -999 ? >VAL^A 454 38.73 77.33 111.39 39.71 78.17 113.18 39.22 77.75 112.29 3 0 1000.00 -999 ? >THR^A 455 35.45 79.15 111.14 33.94 77.93 110.19 34.69 78.54 110.67 2 0 1000.00 -999 ? >LEU^A 456 35.72 82.45 114.41 37.73 82.01 115.13 36.72 82.23 114.77 3 0 1000.00 -999 ? >ARG^A 457 27.81 80.72 116.66 29.04 77.94 117.05 28.43 79.33 116.85 2 0 1000.00 -999 ? >VAL^A 458 30.70 85.70 116.01 31.52 87.51 115.13 31.11 86.61 115.57 3 0 1000.00 -999 ? >ILE^A 459 28.36 85.81 120.18 27.32 84.81 120.38 27.84 85.31 120.28 3 0 1000.00 -999 ? >GLU^A 460 23.87 89.26 117.73 21.81 88.84 117.97 22.84 89.05 117.85 2 0 1000.00 -999 ? >GLY^A 461 28.14 91.91 120.88 28.47 91.57 120.17 28.30 91.74 120.52 1 0 1000.00 -999 ? >GLY^A 462 31.34 90.68 119.23 31.11 90.16 119.81 31.23 90.42 119.52 1 0 1000.00 -999 ? >ARG^A 463 32.07 85.57 124.45 29.28 84.44 123.91 30.68 85.01 124.18 2 0 1000.00 -999 ? >MET?A 464 33.81 84.75 119.04 36.77 86.25 116.38 35.29 85.50 117.71 2 0 1000.00 -999 ? >GLU^A 465 31.29 80.82 119.99 29.89 80.49 121.53 30.59 80.66 120.76 2 0 1000.00 -999 ? >LEU^A 466 36.53 77.26 118.28 38.00 76.12 117.18 37.27 76.69 117.73 3 0 1000.00 -999 ? >ALA^A 467 33.18 76.43 115.20 32.33 77.20 114.23 32.76 76.82 114.71 2 0 1000.00 -999 ? >ASP^A 468 33.56 73.97 111.07 31.42 73.74 111.22 32.49 73.85 111.15 2 0 1000.00 -999 ? >THR^A 469 38.03 73.30 112.35 39.07 72.95 114.20 38.55 73.13 113.27 2 0 1000.00 -999 ? >THR^A 470 40.70 71.22 110.65 41.27 71.00 108.57 40.99 71.11 109.61 2 0 1000.00 -999 ? >THR^A 471 44.19 70.76 112.08 44.60 70.96 114.22 44.39 70.86 113.15 2 0 1000.00 -999 ? >GLY^A 472 47.43 68.84 111.58 47.63 69.59 111.46 47.53 69.21 111.52 1 0 1000.00 -999 ? >HIS^A 473 51.98 68.17 112.57 52.13 68.94 114.51 52.05 68.55 113.54 3 0 1000.00 -999 ? >ILE^A 474 52.71 70.54 106.25 52.37 71.65 105.62 52.54 71.10 105.93 3 0 1000.00 -999 ? >GLY^A 475 56.09 68.06 107.47 55.79 68.82 107.20 55.94 68.44 107.33 1 0 1000.00 -999 ? >ASP^A 476 59.64 69.17 104.39 60.97 68.37 105.87 60.30 68.77 105.13 2 0 1000.00 -999 ? >LEU^A 477 55.63 73.47 103.29 55.62 74.77 105.00 55.62 74.12 104.15 3 0 1000.00 -999 ? >THR^A 478 58.56 71.60 99.83 59.47 69.73 100.27 59.01 70.67 100.05 2 0 1000.00 -999 ? >GLU^A 479 55.29 68.67 97.93 55.28 66.93 96.71 55.28 67.80 97.32 2 0 1000.00 -999 ? >PRO^A 480 52.88 74.01 95.59 52.72 72.88 97.52 52.80 73.45 96.55 3 0 1000.00 -999 ? >THR^A 481 49.37 71.35 99.58 50.27 69.95 100.88 49.82 70.65 100.23 2 0 1000.00 -999 ? >PHE^A 482 45.02 72.02 97.36 45.41 73.50 95.04 45.22 72.76 96.20 3 0 1000.00 -999 ? >PHE^A 483 45.68 71.74 104.26 48.36 71.04 104.52 47.02 71.39 104.39 3 0 1000.00 -999 ? >GLY^A 484 39.78 71.39 103.03 40.18 71.39 103.75 39.98 71.39 103.39 1 0 1000.00 -999 ? >LEU^A 485 37.74 74.10 106.21 37.20 74.41 108.29 37.47 74.25 107.25 3 0 1000.00 -999 ? >THR^A 486 33.57 72.41 105.44 32.42 70.71 104.81 32.99 71.56 105.13 2 0 1000.00 -999 ? >ALA^A 487 31.64 75.21 107.10 31.96 76.67 106.83 31.80 75.94 106.96 2 0 1000.00 -999 ? >HIS^A 488 25.92 73.71 108.95 23.85 73.96 108.72 24.89 73.84 108.84 3 0 1000.00 -999 ? >TYR^A 489 27.96 79.54 107.59 30.20 79.87 105.99 29.08 79.70 106.79 3 0 1000.00 -999 ? >THR^A 490 24.61 76.96 112.21 24.72 75.32 113.58 24.67 76.14 112.90 2 0 1000.00 -999 ? >ASP^A 491 21.18 80.30 112.38 20.69 82.30 112.92 20.93 81.30 112.65 2 0 1000.00 -999 ? >ALA^A 492 21.49 79.99 117.04 22.54 79.49 118.00 22.01 79.74 117.52 2 0 1000.00 -999 ? >PRO^A 493 17.99 81.43 119.44 19.91 82.19 118.54 18.95 81.81 118.99 3 0 1000.00 -999 ? >GLY^A 494 22.58 85.37 119.36 22.54 85.02 118.60 22.56 85.19 118.98 1 0 1000.00 -999 ? >THR^A 495 24.61 84.22 116.37 24.97 82.32 115.41 24.79 83.27 115.89 2 0 1000.00 -999 ? >LEU^A 496 26.57 88.33 114.77 26.57 90.40 114.05 26.57 89.37 114.41 3 0 1000.00 -999 ? >ASP^A 497 28.26 86.86 110.67 29.85 88.05 111.48 29.05 87.45 111.08 2 0 1000.00 -999 ? >TYR^A 498 29.90 81.32 111.36 28.32 79.65 112.89 29.11 80.49 112.13 3 0 1000.00 -999 ? >HIS^A 499 34.92 86.73 110.92 34.38 88.76 110.97 34.65 87.75 110.94 3 0 1000.00 -999 ? >ALA^A 500 37.03 82.00 108.34 36.85 81.54 106.89 36.94 81.77 107.62 2 0 1000.00 -999 ? >LEU^A 501 40.83 82.52 110.83 42.37 83.74 111.74 41.60 83.13 111.29 3 0 1000.00 -999 ? >GLY^A 502 43.81 80.00 108.68 43.93 80.74 109.07 43.87 80.37 108.88 1 0 1000.00 -999 ? >LEU^A 503 46.55 79.93 112.47 45.65 81.63 113.49 46.10 80.78 112.98 3 0 1000.00 -999 ? >VAL^A 504 50.13 78.18 110.08 50.36 77.36 108.10 50.25 77.77 109.09 3 0 1000.00 -999 ? >TYR^A 505 54.02 77.65 114.65 56.10 77.82 116.50 55.06 77.73 115.57 3 0 1000.00 -999 ? >ALA^A 506 56.54 76.55 110.89 56.49 76.38 109.38 56.51 76.46 110.13 2 0 1000.00 -999 ? >TYR^A 507 60.31 75.44 113.61 59.18 75.32 116.14 59.75 75.38 114.87 3 0 1000.00 -999 ? >VAL^A 508 62.92 77.85 108.97 63.08 79.64 107.80 63.00 78.74 108.39 3 0 1000.00 -999 ? >GLU^A 509 66.97 73.71 110.76 68.20 72.07 110.21 67.59 72.89 110.48 2 0 1000.00 -999 ? >ARG^A 510 70.15 81.20 110.30 70.91 82.29 113.07 70.53 81.74 111.69 2 0 1000.00 -999 ? >ASP^A 511 73.19 76.46 106.75 73.96 78.39 107.17 73.58 77.42 106.96 2 0 1000.00 -999 ? >ASP^A 512 74.20 77.61 112.02 72.55 78.72 112.76 73.38 78.17 112.39 2 0 1000.00 -999 ? >GLY^A 513 70.98 74.12 112.77 70.89 74.92 112.80 70.94 74.52 112.78 1 0 1000.00 -999 ? >VAL^A 514 69.24 76.94 114.62 69.68 78.89 115.41 69.46 77.92 115.01 3 0 1000.00 -999 ? >LYS^A 515 65.45 76.79 114.00 67.24 72.14 113.41 66.35 74.47 113.70 2 0 1000.00 -999 ? >ILE^A 516 64.06 81.15 112.53 64.77 82.43 112.32 64.42 81.79 112.42 3 0 1000.00 -999 ? >PRO^A 517 60.48 80.21 116.41 60.43 80.07 114.17 60.46 80.14 115.29 3 0 1000.00 -999 ? >ILE^A 518 57.87 81.83 110.17 58.75 81.55 109.09 58.31 81.69 109.63 3 0 1000.00 -999 ? >TRP^A 519 54.14 84.48 113.83 51.06 86.67 112.77 52.60 85.58 113.30 3 0 1000.00 -999 ? >LEU^A 520 51.19 82.64 107.55 50.82 83.73 105.70 51.00 83.18 106.63 3 0 1000.00 -999 ? >ALA^A 521 47.42 84.20 109.42 47.05 85.09 110.61 47.23 84.65 110.01 2 0 1000.00 -999 ? >ALA^A 522 45.14 84.54 106.43 45.63 83.72 105.24 45.39 84.13 105.83 2 0 1000.00 -999 ? >GLU^A 523 39.55 86.62 107.69 38.89 87.87 109.28 39.22 87.25 108.49 2 0 1000.00 -999 ? >PRO^A 524 39.46 82.50 104.13 39.69 84.73 104.12 39.57 83.62 104.12 3 0 1000.00 -999 ? >MET?A 525 37.34 88.00 102.97 39.06 90.50 104.27 38.20 89.25 103.62 2 0 1000.00 -999 ? >ILE^A 526 33.84 84.69 103.45 33.83 84.03 104.21 33.83 84.36 103.83 3 0 1000.00 -999 ? >SER^A 527 30.72 87.37 104.47 29.05 89.07 104.58 29.89 88.22 104.52 2 0 1000.00 -999 ? >VAL^A 528 27.96 85.27 105.95 28.16 83.55 107.19 28.06 84.41 106.57 3 0 1000.00 -999 ? >LEU^A 529 24.08 86.80 103.60 24.92 88.10 102.12 24.50 87.45 102.86 3 0 1000.00 -999 ? >SER^A 530 21.22 86.19 106.87 20.37 88.29 107.71 20.79 87.24 107.29 2 0 1000.00 -999 ? >ASN^A 531 17.00 84.14 105.46 15.41 83.92 104.03 16.20 84.03 104.74 2 0 1000.00 -999 ? >THR^A 532 16.40 88.58 103.94 18.12 89.66 103.26 17.26 89.12 103.60 2 0 1000.00 -999 ? >TYR^A 533 12.42 86.93 104.36 12.87 85.99 106.92 12.65 86.46 105.64 3 0 1000.00 -999 ? >THR^A 534 14.06 87.79 98.42 15.61 87.18 97.09 14.83 87.48 97.75 2 0 1000.00 -999 ? >VAL^A 535 11.10 89.39 96.76 10.01 91.21 97.26 10.55 90.30 97.01 3 0 1000.00 -999 ? >MET?A 536 12.31 88.85 93.22 12.48 92.60 91.72 12.39 90.72 92.47 2 0 1000.00 -999 ? >LYS^A 537 12.64 85.10 93.09 10.76 83.94 97.79 11.70 84.52 95.44 2 0 1000.00 -999 ? >ASP^A 538 14.98 82.82 89.44 16.86 83.42 90.22 15.92 83.12 89.83 2 0 1000.00 -999 ? >GLN^A 539 8.83 80.07 89.46 9.43 79.25 87.57 9.13 79.66 88.52 2 0 1000.00 -999 ? >ASP^A 540 8.40 85.81 90.92 7.77 84.56 92.53 8.08 85.18 91.73 2 0 1000.00 -999 ? >VAL^A 541 10.86 87.00 87.36 12.76 88.03 87.46 11.81 87.52 87.41 3 0 1000.00 -999 ? >LYS^A 542 10.45 84.27 84.79 9.04 78.83 83.05 9.74 81.55 83.92 2 0 1000.00 -999 ? >ASN^A 543 5.79 84.22 86.39 6.15 82.49 87.57 5.97 83.36 86.98 2 0 1000.00 -999 ? >LEU^A 544 7.51 89.03 85.63 6.60 90.67 86.74 7.05 89.85 86.18 3 0 1000.00 -999 ? >ILE^A 545 10.09 87.34 81.28 11.48 87.44 80.93 10.78 87.39 81.11 3 0 1000.00 -999 ? >ASP^A 546 6.03 83.92 80.85 7.72 82.65 80.64 6.87 83.28 80.75 2 0 1000.00 -999 ? >LEU^A 547 3.13 88.23 82.33 1.99 87.25 83.87 2.56 87.74 83.10 3 0 1000.00 -999 ? >TYR^A 548 6.91 91.85 78.04 7.51 93.85 76.17 7.21 92.85 77.10 3 0 1000.00 -999 ? >LYS^A 549 5.20 87.95 75.91 10.27 84.37 76.17 7.73 86.16 76.04 2 0 1000.00 -999 ? >LYS^A 550 1.59 86.86 76.44 -1.19 83.42 78.11 0.20 85.14 77.27 2 0 1000.00 -999 ? >LYS^A 551 0.92 90.61 76.48 0.53 91.36 71.14 0.73 90.99 73.81 2 0 1000.00 -999 ? >ASP^A 552 -1.05 88.94 80.55 -2.75 88.90 81.82 -1.90 88.92 81.18 2 0 1000.00 -999 ? >ARG^A 553 1.40 94.65 78.81 4.05 96.16 79.06 2.72 95.40 78.94 2 0 1000.00 -999 ? >GLU^A 554 -5.31 93.16 84.74 -7.13 92.07 84.55 -6.22 92.62 84.64 2 0 1000.00 -999 ? >LYS^A 555 -1.15 90.58 85.35 -4.00 86.07 83.57 -2.58 88.32 84.46 2 0 1000.00 -999 ? >ILE^A 556 2.71 92.92 83.64 3.62 93.07 82.65 3.17 92.99 83.14 3 0 1000.00 -999 ? >ASN^A 557 -0.72 95.85 86.38 -0.27 97.36 84.95 -0.50 96.60 85.67 2 0 1000.00 -999 ? >ALA^A 558 -0.91 92.82 89.59 -1.77 91.60 89.37 -1.34 92.21 89.48 2 0 1000.00 -999 ? >THR^A 559 2.51 91.23 90.20 3.40 89.56 89.16 2.95 90.39 89.68 2 0 1000.00 -999 ? >THR^A 560 4.48 94.46 90.16 4.86 95.89 88.59 4.67 95.18 89.37 2 0 1000.00 -999 ? >LYS^A 561 2.14 95.84 92.78 -1.80 96.81 96.09 0.17 96.32 94.43 2 0 1000.00 -999 ? >ALA^A 562 2.47 92.66 94.84 2.18 91.27 94.34 2.32 91.96 94.59 2 0 1000.00 -999 ? >MET?A 563 6.26 92.82 94.71 7.97 91.35 91.13 7.12 92.09 92.92 2 0 1000.00 -999 ? >ILE^A 564 5.54 97.59 94.82 5.50 98.70 94.06 5.52 98.15 94.44 3 0 1000.00 -999 ? >ASN^A 565 2.98 94.99 98.89 1.26 96.21 98.56 2.12 95.60 98.72 2 0 1000.00 -999 ? >SER^A 566 6.99 93.31 99.77 6.34 91.07 99.14 6.67 92.19 99.46 2 0 1000.00 -999 ? >LEU^A 567 10.15 96.46 97.82 11.47 95.39 96.44 10.81 95.93 97.13 3 0 1000.00 -999 ? >GLN^A 568 6.17 100.15 100.09 4.32 100.30 99.00 5.24 100.23 99.54 2 0 1000.00 -999 ? >GLU^A 569 7.71 93.72 105.09 7.22 94.54 107.01 7.47 94.13 106.05 2 0 1000.00 -999 ? >LYS^A 570 11.67 95.46 103.62 14.56 91.30 101.09 13.12 93.38 102.35 2 0 1000.00 -999 ? >ILE^A 571 11.24 100.24 102.78 11.33 101.41 101.88 11.29 100.82 102.33 3 0 1000.00 -999 ? >ASP^A 572 8.59 98.68 107.24 6.97 99.67 106.29 7.78 99.17 106.76 2 0 1000.00 -999 ? >GLU^A 573 11.41 94.91 108.61 11.49 92.88 108.05 11.45 93.89 108.33 2 0 1000.00 -999 ? >ALA^A 574 15.47 99.08 107.14 15.68 99.46 105.68 15.57 99.27 106.41 2 0 1000.00 -999 ? >GLU^A 575 12.02 102.96 107.23 12.69 104.95 106.83 12.35 103.96 107.03 2 0 1000.00 -999 ? >GLN^A 576 11.86 98.94 112.71 10.86 97.04 112.73 11.36 97.99 112.72 2 0 1000.00 -999 ? >LEU^A 577 18.37 98.91 110.54 18.94 96.84 110.59 18.66 97.87 110.57 3 0 1000.00 -999 ? >LEU^A 578 17.35 104.09 109.83 18.23 105.89 108.96 17.79 104.99 109.40 3 0 1000.00 -999 ? >ALA^A 579 16.43 103.97 114.15 15.07 103.43 114.55 15.75 103.70 114.35 2 0 1000.00 -999 ? >LYS^A 580 18.72 101.84 116.31 16.63 96.07 117.73 17.67 98.96 117.02 2 0 1000.00 -999 ? >ALA^A 581 21.72 103.10 114.35 21.92 103.01 112.84 21.82 103.05 113.60 2 0 1000.00 -999 ? >LYS^A 582 20.78 106.71 115.11 17.12 108.84 111.54 18.95 107.78 113.32 2 0 1000.00 -999 ? >GLY^A 583 19.91 105.81 118.71 20.59 105.75 118.31 20.25 105.78 118.51 1 0 1000.00 -999 ? >MET?A 584 23.28 104.13 119.44 22.55 101.43 121.32 22.92 102.78 120.38 2 0 1000.00 -999 ? >ASN^A 585 25.55 107.89 118.54 26.79 109.43 117.71 26.17 108.66 118.13 2 0 1000.00 -999 ? >ASN^A 586 26.19 102.89 115.23 27.54 101.57 114.31 26.86 102.23 114.77 2 0 1000.00 -999 ? >GLU^A 587 29.41 107.91 113.32 28.41 109.77 113.76 28.91 108.84 113.54 2 0 1000.00 -999 ? >ASN^A 588 29.42 102.31 110.00 31.25 103.14 110.67 30.33 102.73 110.33 2 0 1000.00 -999 ? >ALA^A 589 25.14 101.49 110.65 24.69 101.01 112.01 24.92 101.25 111.33 2 0 1000.00 -999 ? >ILE^A 590 23.64 106.15 110.64 23.28 107.30 111.40 23.46 106.72 111.02 3 0 1000.00 -999 ? >GLU^A 591 26.87 106.65 106.82 28.45 107.36 105.64 27.66 107.01 106.23 2 0 1000.00 -999 ? >TYR^A 592 26.33 100.21 106.54 29.09 100.23 106.68 27.71 100.22 106.61 3 0 1000.00 -999 ? >ALA^A 593 20.66 101.37 106.92 20.17 101.54 108.35 20.41 101.46 107.64 2 0 1000.00 -999 ? >GLN^A 594 19.84 107.01 104.24 17.71 107.09 104.49 18.77 107.05 104.37 2 0 1000.00 -999 ? >GLY^A 595 21.73 102.90 101.95 21.06 102.65 102.40 21.39 102.77 102.18 1 0 1000.00 -999 ? >ALA^A 596 19.39 99.94 102.23 19.15 99.10 103.46 19.27 99.52 102.85 2 0 1000.00 -999 ? >ILE^A 597 16.05 103.35 103.29 15.17 103.88 104.33 15.61 103.61 103.81 3 0 1000.00 -999 ? >ASP^A 598 18.87 104.95 98.97 18.90 106.54 100.39 18.88 105.75 99.68 2 0 1000.00 -999 ? >GLU^A 599 20.72 100.10 97.58 21.22 100.86 95.63 20.97 100.48 96.60 2 0 1000.00 -999 ? >TYR^A 600 14.98 97.77 100.06 16.22 95.62 101.35 15.60 96.70 100.70 3 0 1000.00 -999 ? >LYS^A 601 13.34 102.60 96.95 12.01 107.34 100.67 12.67 104.97 98.81 2 0 1000.00 -999 ? >ALA^A 602 15.19 102.38 93.64 16.69 102.33 93.43 15.94 102.35 93.53 2 0 1000.00 -999 ? >ALA^A 603 13.90 98.87 93.11 14.17 97.70 94.02 14.03 98.28 93.57 2 0 1000.00 -999 ? >ILE^A 604 9.75 100.58 95.06 8.66 100.60 96.10 9.20 100.59 95.58 3 0 1000.00 -999 ? >ASN^A 605 11.79 103.75 91.26 11.43 105.23 89.80 11.61 104.49 90.53 2 0 1000.00 -999 ? >ASP^A 606 13.54 99.45 88.70 15.22 100.73 88.57 14.38 100.09 88.63 2 0 1000.00 -999 ? >LEU^A 607 8.79 97.19 90.41 9.51 95.14 90.93 9.15 96.17 90.67 3 0 1000.00 -999 ? >GLN^A 608 6.68 102.22 90.69 4.62 102.35 91.22 5.65 102.28 90.96 2 0 1000.00 -999 ? >LYS^A 609 8.65 101.69 85.21 10.46 106.46 86.63 9.56 104.08 85.92 2 0 1000.00 -999 ? >ALA^A 610 9.02 98.03 84.27 9.44 96.91 85.20 9.23 97.47 84.74 2 0 1000.00 -999 ? >ALA^A 611 5.27 97.62 84.16 4.30 97.75 85.31 4.79 97.68 84.74 2 0 1000.00 -999 ? >GLN^A 612 4.11 102.16 83.31 4.68 103.84 84.47 4.40 103.00 83.89 2 0 1000.00 -999 ? >GLN^A 613 9.68 99.33 80.48 9.94 101.38 80.01 9.81 100.35 80.25 2 0 1000.00 -999 ? >ASP^A 614 5.59 98.95 74.88 6.23 100.83 74.24 5.91 99.89 74.56 2 0 1000.00 -999 ? >ASP^A 615 11.39 98.63 74.35 13.09 97.66 73.58 12.24 98.14 73.96 2 0 1000.00 -999 ? >TYR^A 616 11.78 91.70 75.06 12.29 89.24 76.23 12.03 90.47 75.65 3 0 1000.00 -999 ? >GLN^A 617 17.42 95.31 76.19 18.01 93.33 76.79 17.71 94.32 76.49 2 0 1000.00 -999 ? >MET?A 618 13.74 97.87 78.35 15.36 100.64 78.07 14.55 99.26 78.21 2 0 1000.00 -999 ? >PHE^A 619 9.46 94.00 80.64 8.00 92.44 82.39 8.73 93.22 81.52 3 0 1000.00 -999 ? >LEU^A 620 15.04 92.48 79.91 14.53 90.45 79.32 14.79 91.47 79.61 3 0 1000.00 -999 ? >ASN^A 621 16.99 97.21 81.01 18.34 96.65 79.48 17.67 96.93 80.24 2 0 1000.00 -999 ? >TYR^A 622 13.09 99.75 83.94 13.34 102.47 83.43 13.21 101.11 83.68 3 0 1000.00 -999 ? >LEU^A 623 12.95 92.90 85.35 10.86 92.44 85.34 11.90 92.67 85.35 3 0 1000.00 -999 ? >ASN^A 624 18.15 93.27 85.00 19.90 92.27 85.62 19.03 92.77 85.31 2 0 1000.00 -999 ? >ALA^A 625 18.01 96.94 87.69 17.66 98.33 87.12 17.83 97.64 87.41 2 0 1000.00 -999 ? >ALA^A 626 15.26 96.25 90.17 13.78 96.07 89.84 14.52 96.16 90.01 2 0 1000.00 -999 ? >LYS^A 627 16.74 92.85 91.04 17.95 87.07 89.13 17.34 89.96 90.08 2 0 1000.00 -999 ? >LYS^A 628 20.28 94.11 91.71 21.58 90.74 87.60 20.93 92.42 89.65 2 0 1000.00 -999 ? >HIS^A 629 18.47 99.27 92.45 19.42 100.86 91.47 18.95 100.07 91.96 3 0 1000.00 -999 ? >GLU^A 630 15.35 93.14 96.95 14.44 91.21 96.90 14.90 92.18 96.92 2 0 1000.00 -999 ? >MET?A 631 20.40 92.64 96.27 21.20 90.46 92.69 20.80 91.55 94.48 2 0 1000.00 -999 ? >ALA^A 632 22.24 95.86 97.14 22.27 97.05 96.24 22.26 96.46 96.69 2 0 1000.00 -999 ? >GLY^A 633 19.64 96.76 99.76 20.07 96.06 99.65 19.85 96.41 99.71 1 0 1000.00 -999 ? >ASP^A 634 19.65 91.93 100.42 17.58 91.60 100.06 18.61 91.76 100.24 2 0 1000.00 -999 ? >TYR^A 635 25.07 92.96 99.55 25.86 90.85 97.87 25.46 91.91 98.71 3 0 1000.00 -999 ? >TYR^A 636 23.39 99.24 101.86 25.06 100.85 100.37 24.23 100.04 101.11 3 0 1000.00 -999 ? >VAL^A 637 20.86 95.56 105.74 18.79 94.96 105.82 19.83 95.26 105.78 3 0 1000.00 -999 ? >ASN^A 638 23.98 91.85 105.49 22.77 90.12 105.17 23.38 90.99 105.33 2 0 1000.00 -999 ? >ALA^A 639 25.97 95.57 106.86 26.41 96.54 105.77 26.19 96.05 106.32 2 0 1000.00 -999 ? >ALA^A 640 23.96 97.72 109.29 22.63 98.37 108.99 23.30 98.04 109.14 2 0 1000.00 -999 ? >ARG^A 641 21.31 91.13 111.33 23.25 88.90 110.49 22.28 90.01 110.91 2 0 1000.00 -999 ? >LYS^A 642 26.74 93.64 111.61 27.65 89.43 107.10 27.19 91.54 109.36 2 0 1000.00 -999 ? >ALA^A 643 27.92 97.19 112.33 27.65 98.41 111.49 27.78 97.80 111.91 2 0 1000.00 -999 ? >LEU^A 644 23.90 97.46 115.04 22.61 99.16 114.77 23.25 98.31 114.91 3 0 1000.00 -999 ? >ASN^A 645 25.68 92.99 116.58 23.62 93.38 116.77 24.65 93.19 116.68 2 0 1000.00 -999 ? >GLY^A 646 30.29 94.40 116.91 30.00 94.17 116.22 30.15 94.29 116.57 1 0 1000.00 -999 ? >ASP^A 647 30.91 91.90 113.02 32.25 90.91 111.74 31.58 91.41 112.38 2 0 1000.00 -999 ? >LEU^A 648 32.84 97.63 112.27 32.64 99.59 111.35 32.74 98.61 111.81 3 0 1000.00 -999 ? >GLU^A 649 36.90 94.18 111.11 36.25 93.65 113.10 36.58 93.91 112.10 2 0 1000.00 -999 ? >GLN^A 650 31.33 89.95 107.44 30.93 87.96 108.10 31.13 88.96 107.77 2 0 1000.00 -999 ? >ALA^A 651 30.03 95.06 107.73 29.75 96.00 108.86 29.89 95.53 108.30 2 0 1000.00 -999 ? >LYS^A 652 32.43 96.91 105.45 36.67 100.72 108.13 34.55 98.82 106.79 2 0 1000.00 -999 ? >ILE^A 653 32.96 92.54 103.40 33.74 91.45 103.37 33.35 92.00 103.38 3 0 1000.00 -999 ? >ASP^A 654 27.81 93.56 104.00 27.85 91.54 104.61 27.83 92.55 104.30 2 0 1000.00 -999 ? >ALA^A 655 28.65 97.62 102.31 29.08 98.69 103.30 28.86 98.15 102.81 2 0 1000.00 -999 ? >GLU^A 656 33.26 96.40 98.35 33.63 98.04 97.05 33.44 97.22 97.70 2 0 1000.00 -999 ? >LYS^A 657 29.20 94.61 97.80 31.27 91.14 95.32 30.24 92.88 96.56 2 0 1000.00 -999 ? >ALA^A 658 26.20 96.92 98.12 25.79 97.65 99.38 26.00 97.28 98.75 2 0 1000.00 -999 ? >LYS^A 659 27.96 99.72 96.29 30.09 104.00 94.15 29.02 101.86 95.22 2 0 1000.00 -999 ? >GLU^A 660 31.22 96.28 94.13 32.29 94.51 94.62 31.76 95.40 94.37 2 0 1000.00 -999 ? >TYR^A 661 25.36 93.37 93.74 26.50 90.83 93.67 25.93 92.10 93.71 3 0 1000.00 -999 ? >SER^A 662 23.95 99.16 93.05 23.45 101.38 93.83 23.70 100.27 93.44 2 0 1000.00 -999 ? >ASN^A 663 27.83 100.58 90.42 28.25 102.10 91.87 28.04 101.34 91.14 2 0 1000.00 -999 ? >LEU^A 664 25.71 95.79 88.66 25.92 94.24 87.17 25.81 95.01 87.92 3 0 1000.00 -999 ? >ALA^A 665 21.90 98.13 88.57 21.14 98.40 89.85 21.52 98.27 89.21 2 0 1000.00 -999 ? >LYS^A 666 22.46 101.64 87.23 22.00 104.72 91.62 22.23 103.18 89.43 2 0 1000.00 -999 ? >GLU^A 667 26.49 99.68 84.43 27.80 98.05 84.60 27.15 98.86 84.52 2 0 1000.00 -999 ? >TYR^A 668 21.00 96.71 83.53 22.78 94.65 83.13 21.89 95.68 83.33 3 0 1000.00 -999 ? >GLU^A 669 18.16 101.88 86.27 18.55 102.50 88.24 18.35 102.19 87.26 2 0 1000.00 -999 ? >PRO^A 670 16.08 104.43 81.26 18.29 104.54 81.74 17.19 104.49 81.50 3 0 1000.00 -999 ? >MET?B 146 47.19 50.28 77.96 46.94 54.46 77.61 47.07 52.37 77.79 2 0 1000.00 -999 ? >ASN^B 147 51.56 49.90 78.77 53.26 48.99 77.90 52.41 49.45 78.34 2 0 1000.00 -999 ? >ALA^B 148 51.55 46.28 81.69 51.20 44.84 81.34 51.38 45.56 81.52 2 0 1000.00 -999 ? >THR^B 149 55.22 45.85 82.64 56.70 44.40 82.01 55.96 45.12 82.32 2 0 1000.00 -999 ? >ILE^B 150 56.41 50.49 81.96 57.19 51.08 81.11 56.80 50.79 81.54 3 0 1000.00 -999 ? >ASN^B 151 51.40 51.15 82.73 51.71 52.86 81.49 51.56 52.01 82.11 2 0 1000.00 -999 ? >ASP^B 152 51.66 48.28 87.32 53.65 47.67 87.55 52.66 47.98 87.43 2 0 1000.00 -999 ? >ASP^B 153 47.20 49.91 83.70 48.22 49.93 81.88 47.71 49.92 82.79 2 0 1000.00 -999 ? >ASP^B 154 47.92 43.95 84.20 49.83 44.03 85.13 48.88 43.99 84.67 2 0 1000.00 -999 ? >ILE^B 155 47.41 46.39 89.37 48.41 46.37 90.46 47.91 46.38 89.92 3 0 1000.00 -999 ? >ASP^B 156 41.77 45.13 89.73 41.76 43.28 88.70 41.76 44.20 89.22 2 0 1000.00 -999 ? >ASP^B 157 44.36 48.53 92.95 44.02 46.91 94.22 44.19 47.72 93.58 2 0 1000.00 -999 ? >VAL^B 158 44.98 50.85 89.24 47.00 51.01 88.46 45.99 50.93 88.85 3 0 1000.00 -999 ? >LYS^B 159 41.87 50.47 87.08 42.26 44.62 84.83 42.06 47.54 85.95 2 0 1000.00 -999 ? >LYS^B 160 39.70 52.00 89.83 39.59 47.08 93.60 39.65 49.54 91.71 2 0 1000.00 -999 ? >ALA^B 161 41.65 55.29 89.94 43.08 55.53 89.49 42.36 55.41 89.72 2 0 1000.00 -999 ? >LEU^B 162 38.38 58.58 90.06 36.68 57.37 90.41 37.53 57.98 90.24 3 0 1000.00 -999 ? >ASP^B 163 40.26 62.77 86.99 41.61 62.06 85.54 40.93 62.41 86.26 2 0 1000.00 -999 ? >HIS^B 164 37.56 65.47 89.14 38.76 66.97 88.30 38.16 66.22 88.72 3 0 1000.00 -999 ? >ALA^B 165 35.74 61.65 93.25 36.50 61.66 94.56 36.12 61.65 93.91 2 0 1000.00 -999 ? >THR^B 166 32.39 63.40 93.41 31.98 65.48 93.74 32.18 64.44 93.58 2 0 1000.00 -999 ? >GLN^B 167 30.17 62.85 88.95 28.90 63.06 87.25 29.54 62.95 88.10 2 0 1000.00 -999 ? >ALA^B 168 31.72 58.17 91.98 33.22 57.91 91.97 32.47 58.04 91.97 2 0 1000.00 -999 ? >ALA^B 169 30.95 58.78 95.64 31.42 59.98 96.40 31.19 59.38 96.02 2 0 1000.00 -999 ? >HIS^B 170 26.73 62.07 94.90 26.81 63.97 95.80 26.77 63.02 95.35 3 0 1000.00 -999 ? >LYS^B 171 26.94 56.40 92.96 27.65 59.43 88.46 27.30 57.92 90.71 2 0 1000.00 -999 ? >ALA^B 172 28.56 54.23 95.61 29.99 54.28 96.13 29.27 54.26 95.87 2 0 1000.00 -999 ? >ALA^B 173 26.27 55.99 98.08 26.04 57.48 98.15 26.15 56.74 98.12 2 0 1000.00 -999 ? >ALA^B 174 23.34 54.93 95.96 23.02 55.48 94.60 23.18 55.21 95.28 2 0 1000.00 -999 ? >GLU^B 175 26.32 49.54 95.20 28.29 49.18 94.47 27.30 49.36 94.84 2 0 1000.00 -999 ? >LEU^B 176 26.25 51.59 100.07 27.00 51.06 102.05 26.63 51.33 101.06 3 0 1000.00 -999 ? >THR^B 177 21.86 52.45 100.26 21.91 54.56 99.87 21.89 53.51 100.06 2 0 1000.00 -999 ? >ALA^B 178 19.99 50.27 97.79 20.38 50.02 96.35 20.19 50.14 97.07 2 0 1000.00 -999 ? >LYS^B 179 21.27 47.36 99.86 27.02 45.80 97.61 24.15 46.58 98.74 2 0 1000.00 -999 ? >LEU^B 180 20.90 50.19 103.67 22.85 50.11 104.61 21.88 50.15 104.14 3 0 1000.00 -999 ? >ARG^B 181 15.09 49.54 98.54 16.67 49.70 95.91 15.88 49.62 97.22 2 0 1000.00 -999 ? >SER^B 182 13.90 47.68 103.80 14.06 45.92 105.46 13.98 46.80 104.63 2 0 1000.00 -999 ? >ASP^B 183 9.73 45.70 102.52 10.29 46.16 100.52 10.01 45.93 101.52 2 0 1000.00 -999 ? >PHE^B 184 7.36 48.67 107.49 8.07 51.24 108.26 7.72 49.95 107.88 3 0 1000.00 -999 ? >VAL^B 185 7.58 42.91 107.98 9.56 42.04 107.86 8.57 42.47 107.92 3 0 1000.00 -999 ? >GLU^B 186 3.43 40.90 112.21 1.37 40.46 111.98 2.40 40.68 112.10 2 0 1000.00 -999 ? >TYR^B 187 9.07 43.60 114.18 11.40 44.61 113.03 10.24 44.10 113.61 3 0 1000.00 -999 ? >GLY^B 188 4.43 40.62 116.53 4.11 41.17 115.99 4.27 40.90 116.26 1 0 1000.00 -999 ? >ASN^B 189 -0.03 40.37 116.37 0.19 38.27 116.26 0.08 39.32 116.31 2 0 1000.00 -999 ? >GLY^B 190 -1.85 40.81 120.26 -2.15 41.30 119.64 -2.00 41.06 119.95 1 0 1000.00 -999 ? >GLY^B 191 -5.09 42.36 121.56 -4.94 41.53 121.61 -5.02 41.94 121.59 1 0 1000.00 -999 ? >THR^B 192 -8.47 40.68 122.21 -9.10 41.66 124.00 -8.78 41.17 123.10 2 0 1000.00 -999 ? >ALA^B 193 -10.39 39.06 119.33 -10.82 37.60 119.30 -10.60 38.33 119.32 2 0 1000.00 -999 ? >GLY^B 194 -13.39 41.29 120.08 -12.67 41.61 120.10 -13.03 41.45 120.09 1 0 1000.00 -999 ? >GLN^B 195 -12.66 44.85 123.51 -11.88 44.84 125.47 -12.27 44.84 124.49 2 0 1000.00 -999 ? >VAL^B 196 -8.69 45.79 119.54 -8.05 47.81 120.02 -8.37 46.80 119.78 3 0 1000.00 -999 ? >LEU^B 197 -6.58 42.92 116.34 -8.04 41.32 116.53 -7.31 42.12 116.43 3 0 1000.00 -999 ? >ILE^B 198 -2.09 45.26 119.02 -1.83 45.94 120.23 -1.96 45.60 119.62 3 0 1000.00 -999 ? >HIS^B 199 -1.57 43.30 113.31 -3.12 41.90 113.09 -2.35 42.60 113.20 3 0 1000.00 -999 ? >ILE^B 200 4.33 45.47 116.45 4.79 45.67 117.72 4.56 45.57 117.09 3 0 1000.00 -999 ? >TYR^B 201 3.55 46.15 110.66 1.04 45.04 110.38 2.29 45.60 110.52 3 0 1000.00 -999 ? >GLY^B 202 9.31 47.16 111.37 9.01 46.59 110.81 9.16 46.88 111.09 1 0 1000.00 -999 ? >PRO^B 203 12.81 48.90 109.66 11.50 47.10 109.17 12.16 48.00 109.42 3 0 1000.00 -999 ? >GLY^B 204 13.15 43.48 107.64 13.57 44.20 107.79 13.36 43.84 107.72 1 0 1000.00 -999 ? >LEU^B 205 17.36 45.00 106.55 19.40 44.30 106.23 18.38 44.65 106.39 3 0 1000.00 -999 ? >ILE^B 206 17.57 47.03 112.00 16.78 47.51 113.06 17.17 47.27 112.53 3 0 1000.00 -999 ? >TYR^B 207 24.25 47.91 109.58 26.93 47.14 109.76 25.59 47.52 109.67 3 0 1000.00 -999 ? >GLY^B 208 23.76 47.58 113.91 22.99 47.76 113.79 23.37 47.67 113.85 1 0 1000.00 -999 ? >PHE^B 209 24.27 49.90 118.01 25.52 47.98 119.61 24.89 48.94 118.81 3 0 1000.00 -999 ? >SER^B 210 20.30 52.14 113.79 21.30 51.53 111.69 20.80 51.84 112.74 2 0 1000.00 -999 ? >ALA^B 211 17.12 53.91 114.72 16.96 55.39 114.93 17.04 54.65 114.83 2 0 1000.00 -999 ? >PHE^B 212 14.16 50.31 113.92 13.74 49.02 116.36 13.95 49.66 115.14 3 0 1000.00 -999 ? >PRO^B 213 11.25 52.99 109.61 11.24 53.03 111.86 11.24 53.01 110.73 3 0 1000.00 -999 ? >VAL^B 214 7.87 51.18 113.79 8.18 50.31 115.75 8.03 50.74 114.77 3 0 1000.00 -999 ? >GLN^B 215 4.50 51.79 110.26 3.57 51.86 108.35 4.04 51.83 109.30 2 0 1000.00 -999 ? >ILE^B 216 1.42 50.57 116.27 1.67 50.54 117.63 1.55 50.56 116.95 3 0 1000.00 -999 ? >ARG^B 217 -2.82 47.39 109.82 -3.04 49.45 107.56 -2.93 48.42 108.69 2 0 1000.00 -999 ? >LEU^B 218 -5.16 49.91 116.59 -3.95 49.87 118.37 -4.56 49.89 117.48 3 0 1000.00 -999 ? >GLU^B 219 -7.11 45.67 112.25 -6.19 43.83 111.71 -6.65 44.75 111.98 2 0 1000.00 -999 ? >ILE^B 220 -11.93 49.03 116.25 -11.66 49.19 117.62 -11.79 49.11 116.94 3 0 1000.00 -999 ? >PRO^B 221 -12.18 43.42 116.28 -12.96 45.16 115.11 -12.57 44.29 115.70 3 0 1000.00 -999 ? >ASN^B 222 -17.74 44.92 112.45 -19.57 45.98 112.08 -18.65 45.45 112.27 2 0 1000.00 -999 ? >GLN^B 223 -18.28 46.43 118.00 -16.99 45.06 119.02 -17.63 45.75 118.51 2 0 1000.00 -999 ? >PRO^B 224 -21.99 42.07 118.62 -22.24 43.18 116.69 -22.12 42.62 117.66 3 0 1000.00 -999 ? >VAL^B 225 -24.32 46.07 118.46 -25.22 46.21 120.43 -24.77 46.14 119.44 3 0 1000.00 -999 ? >PRO^B 226 -25.68 49.39 115.88 -23.76 48.70 116.86 -24.72 49.04 116.37 3 0 1000.00 -999 ? >PHE^B 227 -25.88 51.97 119.72 -28.12 52.50 118.16 -27.00 52.23 118.94 3 0 1000.00 -999 ? >ASN^B 228 -20.91 47.81 121.47 -22.44 47.21 122.83 -21.67 47.51 122.15 2 0 1000.00 -999 ? >LYS^B 229 -17.95 51.59 120.17 -20.17 56.57 117.10 -19.06 54.08 118.63 2 0 1000.00 -999 ? >VAL^B 230 -14.39 50.97 121.26 -13.09 49.26 121.03 -13.74 50.12 121.15 3 0 1000.00 -999 ? >HIS^B 231 -14.85 55.33 123.65 -16.68 56.22 123.12 -15.76 55.77 123.38 3 0 1000.00 -999 ? >ILE^B 232 -8.15 54.14 121.77 -7.15 53.02 121.29 -7.65 53.58 121.53 3 0 1000.00 -999 ? >THR^B 233 -7.74 56.73 125.65 -8.88 56.07 127.35 -8.31 56.40 126.50 2 0 1000.00 -999 ? >GLU^B 234 -2.08 56.34 127.01 -1.49 56.17 129.04 -1.78 56.26 128.03 2 0 1000.00 -999 ? >VAL^B 235 -1.42 54.04 123.49 -1.75 53.22 121.52 -1.58 53.63 122.50 3 0 1000.00 -999 ? >THR^B 236 2.07 53.50 124.89 2.59 53.93 126.94 2.33 53.72 125.92 2 0 1000.00 -999 ? >ALA^B 237 5.02 52.02 123.03 4.89 52.13 121.52 4.96 52.07 122.27 2 0 1000.00 -999 ? >TYR^B 238 8.13 50.99 126.36 6.84 49.29 128.18 7.48 50.14 127.27 3 0 1000.00 -999 ? >VAL^B 239 11.66 49.17 123.39 13.46 49.17 122.11 12.56 49.17 122.75 3 0 1000.00 -999 ? >ILE^B 240 11.10 46.18 127.03 10.46 45.45 127.82 10.78 45.81 127.43 3 0 1000.00 -999 ? >ASP^B 241 16.95 45.69 127.12 17.26 46.23 129.14 17.10 45.96 128.13 2 0 1000.00 -999 ? >GLU^B 242 16.05 39.84 127.11 17.28 38.70 125.85 16.66 39.27 126.48 2 0 1000.00 -999 ? >ASN^B 243 18.23 43.27 132.74 19.06 45.18 132.50 18.64 44.22 132.62 2 0 1000.00 -999 ? >ASN^B 244 13.25 44.74 133.73 11.22 45.10 134.21 12.24 44.92 133.97 2 0 1000.00 -999 ? >ARG^B 245 17.96 50.77 131.31 19.17 48.68 133.22 18.57 49.72 132.26 2 0 1000.00 -999 ? >THR^B 246 12.74 50.63 128.63 10.92 50.78 129.78 11.83 50.70 129.20 2 0 1000.00 -999 ? >TYR^B 247 15.83 51.76 125.93 17.67 50.28 127.35 16.75 51.02 126.64 3 0 1000.00 -999 ? >TRP^B 248 14.94 53.91 122.19 16.71 57.27 123.19 15.82 55.59 122.69 3 0 1000.00 -999 ? >THR^B 249 8.73 55.49 125.16 8.00 55.16 127.18 8.37 55.32 126.17 2 0 1000.00 -999 ? >ARG^B 250 4.82 58.83 120.78 3.12 60.81 119.16 3.97 59.82 119.97 2 0 1000.00 -999 ? >VAL^B 251 2.61 57.98 124.26 2.16 58.22 126.37 2.38 58.10 125.32 3 0 1000.00 -999 ? >TRP^B 252 0.12 58.72 118.81 2.72 55.80 119.07 1.42 57.26 118.94 3 0 1000.00 -999 ? >ASN^B 253 -2.71 61.78 125.31 -2.91 63.58 124.18 -2.81 62.68 124.74 2 0 1000.00 -999 ? >SER^B 254 -6.84 60.51 124.34 -7.26 61.80 126.32 -7.05 61.16 125.33 2 0 1000.00 -999 ? >SER^B 255 -6.83 63.63 122.24 -4.87 65.01 122.23 -5.85 64.32 122.23 2 0 1000.00 -999 ? >THR^B 256 -5.25 61.80 119.31 -3.36 60.73 119.79 -4.31 61.26 119.55 2 0 1000.00 -999 ? >PHE^B 257 -6.87 57.59 119.94 -4.30 56.65 120.46 -5.59 57.12 120.20 3 0 1000.00 -999 ? >ARG^B 258 -13.19 59.47 114.35 -13.62 56.78 112.89 -13.40 58.12 113.62 2 0 1000.00 -999 ? >GLN^B 259 -12.96 63.28 121.81 -11.53 62.04 122.83 -12.25 62.66 122.32 2 0 1000.00 -999 ? >GLY^B 260 -16.94 58.84 120.37 -16.17 58.50 120.35 -16.55 58.67 120.36 1 0 1000.00 -999 ? >GLY^B 261 -15.15 55.55 119.93 -15.23 56.06 119.36 -15.19 55.81 119.65 1 0 1000.00 -999 ? >TYR^B 262 -11.93 54.20 116.71 -10.20 56.40 116.79 -11.07 55.30 116.75 3 0 1000.00 -999 ? >ILE^B 263 -17.57 50.61 115.45 -18.87 50.44 115.26 -18.22 50.53 115.36 3 0 1000.00 -999 ? >ALA^B 264 -15.10 48.35 112.21 -16.31 48.17 111.33 -15.70 48.26 111.77 2 0 1000.00 -999 ? >ASP^B 265 -12.19 51.69 112.98 -13.06 53.39 112.13 -12.62 52.54 112.55 2 0 1000.00 -999 ? >THR^B 266 -8.23 50.44 111.57 -8.03 49.13 109.83 -8.13 49.79 110.70 2 0 1000.00 -999 ? >LEU^B 267 -5.98 53.75 114.18 -7.90 54.34 115.05 -6.94 54.05 114.62 3 0 1000.00 -999 ? >ASP^B 268 -1.66 53.47 110.51 -2.32 51.90 109.27 -1.99 52.69 109.89 2 0 1000.00 -999 ? >LEU^B 269 0.28 54.44 115.88 -1.23 55.12 117.29 -0.48 54.78 116.58 3 0 1000.00 -999 ? >VAL^B 270 3.94 55.56 113.31 4.36 55.92 111.18 4.15 55.74 112.25 3 0 1000.00 -999 ? >THR^B 271 6.96 56.04 115.55 7.20 55.43 117.64 7.08 55.74 116.59 2 0 1000.00 -999 ? >VAL^B 272 10.73 55.66 115.66 12.01 56.92 114.44 11.37 56.29 115.05 3 0 1000.00 -999 ? >MET?B 273 12.70 53.26 117.86 10.11 52.64 120.33 11.40 52.95 119.10 2 0 1000.00 -999 ? >LYS^B 274 16.22 52.00 118.45 20.52 54.94 120.56 18.37 53.47 119.50 2 0 1000.00 -999 ? >ALA^B 275 17.73 49.06 120.35 18.41 47.87 119.69 18.07 48.46 120.02 2 0 1000.00 -999 ? >PRO^B 276 18.55 47.61 124.36 19.32 49.21 123.02 18.93 48.41 123.69 3 0 1000.00 -999 ? >ASP^B 277 22.63 52.28 121.71 24.21 53.08 120.55 23.42 52.68 121.13 2 0 1000.00 -999 ? >PRO^B 278 26.24 48.75 124.29 25.61 50.92 124.50 25.92 49.84 124.39 3 0 1000.00 -999 ? >LEU^B 279 29.21 52.49 121.56 31.07 51.44 121.66 30.14 51.97 121.61 3 0 1000.00 -999 ? >VAL^B 280 26.65 56.18 121.86 24.68 56.95 122.27 25.66 56.57 122.07 3 0 1000.00 -999 ? >TYR^B 281 25.91 59.09 125.83 23.17 59.47 125.64 24.54 59.28 125.73 3 0 1000.00 -999 ? >GLN^B 282 31.49 55.59 125.95 31.95 53.57 126.30 31.72 54.58 126.13 2 0 1000.00 -999 ? >ILE^B 283 30.60 57.61 119.52 30.67 56.82 119.16 30.64 57.22 119.34 3 0 1000.00 -999 ? >ARG^B 284 28.65 64.12 123.35 27.21 63.21 125.91 27.93 63.66 124.63 2 0 1000.00 -999 ? >ASP^B 285 32.99 61.54 125.07 31.48 61.85 126.49 32.24 61.69 125.78 2 0 1000.00 -999 ? >ALA^B 286 35.35 60.96 121.41 35.38 59.57 120.82 35.37 60.27 121.12 2 0 1000.00 -999 ? >ILE^B 287 32.74 63.39 118.10 31.87 63.29 116.99 32.31 63.34 117.55 3 0 1000.00 -999 ? >VAL^B 288 34.10 66.37 121.06 32.54 67.12 122.39 33.32 66.75 121.72 3 0 1000.00 -999 ? >THR^B 289 37.50 65.79 122.61 37.01 64.53 124.25 37.25 65.16 123.43 2 0 1000.00 -999 ? >GLY^B 290 39.39 63.92 119.92 39.24 63.60 120.68 39.31 63.76 120.30 1 0 1000.00 -999 ? >GLN^B 291 41.11 62.68 124.71 40.29 63.23 126.60 40.70 62.95 125.66 2 0 1000.00 -999 ? >ILE^B 292 40.05 57.90 119.58 39.16 57.79 118.44 39.60 57.84 119.01 3 0 1000.00 -999 ? >SER^B 293 42.13 55.19 122.99 40.67 54.02 124.53 41.40 54.60 123.76 2 0 1000.00 -999 ? >ARG^B 294 44.06 49.76 119.55 45.75 47.73 118.03 44.91 48.74 118.79 2 0 1000.00 -999 ? >GLU^B 295 41.69 50.04 126.19 43.64 50.90 125.85 42.67 50.47 126.02 2 0 1000.00 -999 ? >LEU^B 296 37.46 54.00 122.74 35.54 54.95 122.26 36.50 54.47 122.50 3 0 1000.00 -999 ? >TYR^B 297 40.27 51.45 117.14 40.68 50.35 114.60 40.48 50.90 115.87 3 0 1000.00 -999 ? >ASP^B 298 39.33 47.23 120.72 41.39 47.28 120.31 40.36 47.25 120.51 2 0 1000.00 -999 ? >LYS^B 299 35.13 48.35 121.42 33.82 50.92 126.68 34.48 49.64 124.05 2 0 1000.00 -999 ? >ILE^B 300 34.24 51.16 117.57 34.31 52.47 117.10 34.27 51.82 117.33 3 0 1000.00 -999 ? >TRP^B 301 37.22 48.55 115.51 35.02 50.46 112.88 36.12 49.51 114.20 3 0 1000.00 -999 ? >ASN^B 302 34.49 44.36 120.50 36.51 43.95 120.06 35.50 44.16 120.28 2 0 1000.00 -999 ? >THR^B 303 30.40 45.69 120.71 29.97 47.25 122.03 30.18 46.47 121.37 2 0 1000.00 -999 ? >SER^B 304 27.50 43.76 119.20 27.23 41.59 120.27 27.37 42.67 119.74 2 0 1000.00 -999 ? >THR^B 305 23.74 44.41 119.18 22.34 44.64 117.56 23.04 44.52 118.37 2 0 1000.00 -999 ? >THR^B 306 21.63 43.51 122.22 22.27 44.43 124.04 21.95 43.97 123.13 2 0 1000.00 -999 ? >HIS^B 307 18.91 39.06 122.77 19.99 37.40 122.07 19.45 38.23 122.42 3 0 1000.00 -999 ? >PHE^B 308 15.52 45.19 121.08 15.31 45.59 118.32 15.41 45.39 119.70 3 0 1000.00 -999 ? >GLU^B 309 11.09 40.96 122.83 11.65 40.31 120.90 11.37 40.63 121.87 2 0 1000.00 -999 ? >ILE^B 310 8.73 46.72 120.04 8.82 47.82 119.06 8.77 47.27 119.55 3 0 1000.00 -999 ? >ARG^B 311 5.31 45.86 127.38 7.07 44.44 129.43 6.19 45.15 128.40 2 0 1000.00 -999 ? >VAL^B 312 2.60 48.25 123.01 1.96 48.88 121.02 2.28 48.57 122.02 3 0 1000.00 -999 ? >ILE^B 313 0.25 49.15 127.04 0.87 48.87 127.63 0.56 49.01 127.33 3 0 1000.00 -999 ? >VAL^B 314 -3.60 50.07 124.58 -4.27 49.90 122.52 -3.93 49.98 123.55 3 0 1000.00 -999 ? >LYS^B 315 -5.99 51.54 127.13 -2.16 53.52 131.63 -4.08 52.53 129.38 2 0 1000.00 -999 ? >GLY^B 316 -9.64 52.47 126.76 -9.57 51.76 127.24 -9.61 52.12 127.00 1 0 1000.00 -999 ? >TYR^B 317 -14.31 53.40 127.90 -15.13 55.89 126.95 -14.72 54.65 127.43 3 0 1000.00 -999 ? >GLN^B 318 -16.79 48.02 123.57 -16.57 46.10 122.69 -16.68 47.06 123.13 2 0 1000.00 -999 ? >GLU^B 319 -19.43 53.35 124.68 -20.57 54.77 123.63 -20.00 54.06 124.15 2 0 1000.00 -999 ? >ALA^B 320 -22.03 48.28 126.41 -21.76 47.44 127.65 -21.89 47.86 127.03 2 0 1000.00 -999 ? >TRP^B 321 -23.95 51.33 124.09 -26.47 54.35 123.97 -25.21 52.84 124.03 3 0 1000.00 -999 ? >LYS^B 322 -28.56 46.51 125.93 -32.23 44.97 130.30 -30.40 45.74 128.12 2 0 1000.00 -999 ? >THR^B 323 -32.28 46.61 124.99 -32.68 45.01 123.56 -32.48 45.81 124.27 2 0 1000.00 -999 ? >ASP^B 324 -34.89 49.50 127.86 -36.45 49.82 129.23 -35.67 49.66 128.55 2 0 1000.00 -999 ? >SER^B 325 -38.02 45.94 127.05 -37.45 44.50 128.92 -37.74 45.22 127.98 2 0 1000.00 -999 ? >SER^B 326 -40.15 48.72 128.60 -39.20 49.07 130.76 -39.67 48.90 129.68 2 0 1000.00 -999 ? >VAL^B 327 -40.23 50.89 125.49 -39.09 52.67 125.06 -39.66 51.78 125.27 3 0 1000.00 -999 ? >SER^B 328 -42.40 49.62 122.63 -43.76 48.59 124.34 -43.08 49.11 123.49 2 0 1000.00 -999 ? >ASN^B 329 -43.64 53.08 120.08 -44.58 53.88 121.81 -44.11 53.48 120.94 2 0 1000.00 -999 ? >GLN^B 330 -38.69 56.43 117.23 -38.65 56.40 115.10 -38.67 56.42 116.16 2 0 1000.00 -999 ? >SER^B 331 -41.42 58.06 120.96 -42.86 58.85 119.16 -42.14 58.45 120.06 2 0 1000.00 -999 ? >SER^B 332 -41.01 56.44 124.39 -43.29 55.69 124.26 -42.15 56.06 124.33 2 0 1000.00 -999 ? >CSS^B 333 -37.34 55.62 124.02 -35.16 54.07 123.04 -36.25 54.85 123.53 2 0 1000.00 -999 ? >PRO^B 334 -35.37 56.42 127.80 -35.73 57.54 125.88 -35.55 56.98 126.84 3 0 1000.00 -999 ? >SER^B 335 -33.64 60.88 124.14 -33.02 62.86 125.41 -33.33 61.87 124.78 2 0 1000.00 -999 ? >ASP^B 336 -29.61 59.73 126.56 -30.63 58.71 128.10 -30.12 59.22 127.33 2 0 1000.00 -999 ? >GLY^B 337 -31.14 55.91 124.12 -31.21 56.61 123.65 -31.18 56.26 123.89 1 0 1000.00 -999 ? >HIS^B 338 -29.24 55.28 120.07 -27.70 56.68 120.33 -28.47 55.98 120.20 3 0 1000.00 -999 ? >TRP^B 339 -37.50 52.84 116.62 -38.87 50.91 119.76 -38.18 51.87 118.19 3 0 1000.00 -999 ? >TYR^B 340 -30.49 50.01 115.81 -28.89 48.57 114.07 -29.69 49.29 114.94 3 0 1000.00 -999 ? >GLU^B 341 -31.77 46.06 114.44 -32.53 45.52 112.53 -32.15 45.79 113.49 2 0 1000.00 -999 ? >ASP^B 342 -38.18 47.15 115.65 -37.98 47.33 113.55 -38.08 47.24 114.60 2 0 1000.00 -999 ? >ALA^B 343 -36.11 48.17 120.00 -35.24 46.99 120.37 -35.67 47.58 120.18 2 0 1000.00 -999 ? >CSS^B 344 -35.08 50.70 122.59 -35.47 52.69 124.54 -35.28 51.70 123.56 2 0 1000.00 -999 ? >TRP^B 345 -31.42 49.32 119.96 -29.34 46.08 120.77 -30.38 47.70 120.37 3 0 1000.00 -999 ? >VAL^B 346 -29.90 51.88 126.35 -31.08 52.39 128.10 -30.49 52.14 127.22 3 0 1000.00 -999 ? >HIS^B 347 -24.15 53.80 127.69 -22.08 53.58 127.95 -23.11 53.69 127.82 3 0 1000.00 -999 ? >ASP^B 348 -25.80 48.42 129.96 -25.85 47.34 131.77 -25.82 47.88 130.86 2 0 1000.00 -999 ? >LYS^B 349 -22.02 50.22 131.15 -22.53 44.21 132.84 -22.28 47.22 132.00 2 0 1000.00 -999 ? >ASP^B 350 -17.96 52.31 130.05 -19.21 53.61 128.97 -18.58 52.96 129.51 2 0 1000.00 -999 ? >ILE^B 351 -16.02 46.66 129.71 -16.55 45.46 129.60 -16.28 46.06 129.66 3 0 1000.00 -999 ? >ASP^B 352 -11.97 50.14 132.18 -12.78 52.05 132.54 -12.37 51.09 132.36 2 0 1000.00 -999 ? >PHE^B 353 -10.01 47.77 126.73 -9.91 49.53 124.56 -9.96 48.65 125.64 3 0 1000.00 -999 ? >THR^B 354 -5.88 47.34 128.92 -4.53 48.12 130.44 -5.20 47.73 129.68 2 0 1000.00 -999 ? >LEU^B 355 -5.18 45.28 124.71 -7.24 44.72 124.43 -6.21 45.00 124.57 3 0 1000.00 -999 ? >LYS^B 356 -0.76 44.48 125.53 0.27 44.71 131.70 -0.24 44.59 128.62 2 0 1000.00 -999 ? >ALA^B 357 1.32 43.21 122.65 0.81 43.67 121.32 1.06 43.44 121.99 2 0 1000.00 -999 ? >GLU^B 358 6.70 42.41 124.26 7.74 41.36 125.77 7.22 41.88 125.02 2 0 1000.00 -999 ? >THR^B 359 7.20 41.24 119.60 8.35 42.97 119.06 7.77 42.11 119.33 2 0 1000.00 -999 ? >THR^B 360 9.28 38.08 119.81 7.57 36.75 119.83 8.43 37.42 119.82 2 0 1000.00 -999 ? >THR^B 361 12.82 38.29 118.51 13.60 36.36 117.90 13.21 37.32 118.21 2 0 1000.00 -999 ? >ALA^B 362 12.54 41.85 117.29 12.11 43.05 118.10 12.33 42.45 117.69 2 0 1000.00 -999 ? >TRP^B 363 15.76 39.83 120.34 17.95 36.80 119.13 16.86 38.31 119.73 3 0 1000.00 -999 ? >GLY^B 364 16.36 39.07 114.87 16.23 39.86 114.77 16.30 39.46 114.82 1 0 1000.00 -999 ? >HIS^B 365 13.48 42.00 112.31 11.67 40.95 112.25 12.58 41.47 112.28 3 0 1000.00 -999 ? >VAL^B 366 19.27 43.44 113.24 19.67 44.70 114.93 19.47 44.07 114.09 3 0 1000.00 -999 ? >THR^B 367 22.51 42.55 111.50 23.11 42.68 109.44 22.81 42.61 110.47 2 0 1000.00 -999 ? >GLY^B 368 25.98 43.38 112.72 25.89 42.86 112.05 25.93 43.12 112.38 1 0 1000.00 -999 ? >THR^B 369 27.68 41.65 109.78 27.09 40.22 108.22 27.38 40.93 109.00 2 0 1000.00 -999 ? >ASN^B 370 31.00 44.90 108.69 31.96 46.30 107.43 31.48 45.60 108.06 2 0 1000.00 -999 ? >ASP^B 371 29.63 40.62 105.13 31.26 39.70 106.08 30.44 40.16 105.60 2 0 1000.00 -999 ? >VAL^B 372 26.43 43.50 103.87 24.45 43.66 104.81 25.44 43.58 104.34 3 0 1000.00 -999 ? >ALA^B 373 28.06 46.95 103.41 28.28 47.80 104.64 28.17 47.37 104.02 2 0 1000.00 -999 ? >THR^B 374 30.20 46.65 100.29 31.12 44.79 99.73 30.66 45.72 100.01 2 0 1000.00 -999 ? >ILE^B 375 31.11 50.35 97.32 31.57 51.56 97.91 31.34 50.96 97.62 3 0 1000.00 -999 ? >ASP^B 376 31.28 47.65 92.63 29.69 46.35 92.30 30.48 47.00 92.46 2 0 1000.00 -999 ? >GLY^B 377 35.23 49.11 93.04 34.84 49.20 93.77 35.03 49.15 93.41 1 0 1000.00 -999 ? >GLY^B 378 35.98 49.43 96.75 36.43 49.01 96.13 36.21 49.22 96.44 1 0 1000.00 -999 ? >MET?B 379 39.73 49.60 97.17 43.11 50.08 95.86 41.42 49.84 96.51 2 0 1000.00 -999 ? >LEU^B 380 41.47 46.33 99.85 40.32 45.31 101.33 40.90 45.82 100.59 3 0 1000.00 -999 ? >GLY^B 381 45.00 48.72 101.68 44.60 49.10 101.06 44.80 48.91 101.37 1 0 1000.00 -999 ? >SER^B 382 47.61 50.67 99.68 49.55 52.16 99.57 48.58 51.41 99.62 2 0 1000.00 -999 ? >LEU^B 383 48.95 51.41 95.05 47.69 51.44 93.24 48.32 51.43 94.14 3 0 1000.00 -999 ? >PRO^B 384 52.14 47.64 94.84 52.04 49.45 96.17 52.09 48.55 95.50 3 0 1000.00 -999 ? >ILE^B 385 56.43 52.16 98.10 57.30 51.31 99.04 56.87 51.74 98.57 3 0 1000.00 -999 ? >LYS^B 386 56.41 52.28 93.57 54.17 51.18 88.11 55.29 51.73 90.84 2 0 1000.00 -999 ? >PHE^B 387 51.51 52.80 92.03 50.82 50.86 90.18 51.17 51.83 91.11 3 0 1000.00 -999 ? >LEU^B 388 55.41 56.89 96.41 54.68 57.78 98.25 55.05 57.33 97.33 3 0 1000.00 -999 ? >GLN^B 389 58.39 57.36 93.11 60.47 57.67 92.88 59.43 57.51 92.99 2 0 1000.00 -999 ? >SER^B 390 54.11 57.77 89.12 53.20 55.60 89.66 53.66 56.68 89.39 2 0 1000.00 -999 ? >LEU^B 391 50.08 58.29 91.73 48.60 57.27 90.51 49.34 57.78 91.12 3 0 1000.00 -999 ? >ASP^B 392 54.71 62.24 92.34 55.49 63.86 93.49 55.10 63.05 92.91 2 0 1000.00 -999 ? >LEU^B 393 52.10 66.53 92.69 53.18 67.91 94.05 52.64 67.22 93.37 3 0 1000.00 -999 ? >SER^B 394 48.55 63.51 91.03 48.40 61.09 91.29 48.48 62.30 91.16 2 0 1000.00 -999 ? >GLY^B 395 45.03 64.05 92.32 45.24 63.45 91.76 45.13 63.75 92.04 1 0 1000.00 -999 ? >LYS^B 396 44.12 60.42 91.86 45.04 61.37 87.57 44.58 60.89 89.72 2 0 1000.00 -999 ? >TRP^B 397 40.09 62.28 93.29 40.47 63.37 97.04 40.28 62.82 95.17 3 0 1000.00 -999 ? >VAL^B 398 40.09 55.58 94.48 41.13 53.76 95.09 40.61 54.67 94.78 3 0 1000.00 -999 ? >LEU^B 399 35.60 54.26 95.89 34.04 55.69 95.65 34.82 54.98 95.77 3 0 1000.00 -999 ? >TYR^B 400 39.96 53.26 100.40 42.66 53.27 99.78 41.31 53.26 100.09 3 0 1000.00 -999 ? >GLN^B 401 36.05 47.72 99.91 34.16 47.33 98.97 35.11 47.53 99.44 2 0 1000.00 -999 ? >ASN^B 402 33.87 52.18 104.87 34.87 53.91 104.20 34.37 53.04 104.54 2 0 1000.00 -999 ? >LYS^B 403 34.30 49.00 107.95 38.41 47.27 112.25 36.35 48.13 110.10 2 0 1000.00 -999 ? >TYR^B 404 30.05 51.12 107.43 30.37 52.43 105.00 30.21 51.78 106.21 3 0 1000.00 -999 ? >ALA^B 405 29.66 50.28 113.12 30.73 50.19 114.20 30.19 50.23 113.66 2 0 1000.00 -999 ? >GLY^B 406 26.56 52.08 114.39 26.44 51.63 113.75 26.50 51.85 114.07 1 0 1000.00 -999 ? >ALA^B 407 23.55 53.65 112.70 22.94 54.94 113.24 23.24 54.29 112.97 2 0 1000.00 -999 ? >LEU^B 408 25.06 51.36 108.69 26.32 51.35 106.91 25.69 51.36 107.80 3 0 1000.00 -999 ? >SER^B 409 20.59 52.22 108.17 20.02 49.88 108.65 20.30 51.05 108.41 2 0 1000.00 -999 ? >ASP^B 410 20.23 56.35 110.52 19.07 55.22 111.88 19.65 55.79 111.20 2 0 1000.00 -999 ? >PHE^B 411 24.01 58.91 108.96 25.59 59.16 111.27 24.80 59.03 110.11 3 0 1000.00 -999 ? >ILE^B 412 26.05 55.51 104.25 25.42 55.20 102.97 25.73 55.35 103.61 3 0 1000.00 -999 ? >ILE^B 413 30.76 57.72 105.94 31.48 58.43 106.90 31.12 58.08 106.42 3 0 1000.00 -999 ? >ILE^B 414 30.84 57.10 100.14 30.83 55.78 99.65 30.84 56.44 99.89 3 0 1000.00 -999 ? >THR^B 415 35.24 57.29 101.49 36.60 56.77 103.05 35.92 57.03 102.27 2 0 1000.00 -999 ? >ALA^B 416 37.46 58.33 98.58 36.98 59.16 97.41 37.22 58.75 98.00 2 0 1000.00 -999 ? >ALA^B 417 41.18 58.76 99.14 41.52 58.04 100.44 41.35 58.40 99.79 2 0 1000.00 -999 ? >SER^B 418 44.43 58.77 97.29 45.78 60.21 98.75 45.11 59.49 98.02 2 0 1000.00 -999 ? >PRO^B 419 45.51 56.16 94.24 45.33 55.87 96.48 45.42 56.01 95.36 3 0 1000.00 -999 ? >VAL^B 420 48.87 54.97 97.96 50.63 55.63 96.82 49.75 55.30 97.39 3 0 1000.00 -999 ? >HIS^B 421 47.33 55.40 102.00 45.41 55.88 101.30 46.37 55.64 101.65 3 0 1000.00 -999 ? >VAL^B 422 53.41 55.50 102.92 54.88 54.79 101.44 54.14 55.15 102.18 3 0 1000.00 -999 ? >LEU^B 423 56.24 55.71 106.84 55.45 54.74 108.63 55.84 55.23 107.74 3 0 1000.00 -999 ? >ASN^B 424 57.89 60.14 105.66 58.75 60.93 107.40 58.32 60.54 106.53 2 0 1000.00 -999 ? >SER^B 425 54.17 60.76 102.70 52.91 58.94 101.69 53.54 59.85 102.19 2 0 1000.00 -999 ? >THR^B 426 50.88 62.59 102.40 50.80 64.74 102.58 50.84 63.66 102.49 2 0 1000.00 -999 ? >ALA^B 427 47.44 61.29 101.41 47.04 59.90 101.94 47.24 60.60 101.68 2 0 1000.00 -999 ? >MET?B 428 44.10 62.95 100.80 45.06 66.62 98.94 44.58 64.78 99.87 2 0 1000.00 -999 ? >TYR^B 429 41.41 60.44 103.79 43.18 58.50 104.65 42.30 59.47 104.22 3 0 1000.00 -999 ? >LYS^B 430 37.14 62.86 100.81 35.35 66.10 95.64 36.25 64.48 98.23 2 0 1000.00 -999 ? >PHE^B 431 35.62 61.25 104.96 38.04 60.29 105.93 36.83 60.77 105.44 3 0 1000.00 -999 ? >LEU^B 432 30.11 61.32 100.48 28.36 62.01 99.41 29.24 61.67 99.95 3 0 1000.00 -999 ? >ILE^B 433 27.85 62.71 105.83 27.95 62.78 107.28 27.90 62.74 106.55 3 0 1000.00 -999 ? >THR^B 434 24.52 61.07 103.04 24.38 60.24 101.04 24.45 60.65 102.04 2 0 1000.00 -999 ? >PRO^B 435 20.13 61.28 103.24 21.76 59.98 104.04 20.95 60.63 103.64 3 0 1000.00 -999 ? >ASN^B 436 19.74 54.97 104.56 19.03 53.21 103.61 19.39 54.09 104.08 2 0 1000.00 -999 ? >PRO^B 437 18.54 57.59 99.84 17.51 57.36 101.83 18.02 57.47 100.84 3 0 1000.00 -999 ? >GLY^B 438 13.35 57.15 102.92 13.97 56.85 103.27 13.66 57.00 103.10 1 0 1000.00 -999 ? >TYR^B 439 15.88 53.13 106.99 16.16 50.97 108.71 16.02 52.05 107.85 3 0 1000.00 -999 ? >PHE^B 440 13.78 57.37 109.67 16.07 56.99 111.21 14.92 57.18 110.44 3 0 1000.00 -999 ? >GLN^B 441 8.85 57.84 103.97 9.62 58.05 102.00 9.23 57.95 102.98 2 0 1000.00 -999 ? >PRO^B 442 4.95 54.93 107.97 6.55 55.98 106.78 5.75 55.45 107.38 3 0 1000.00 -999 ? >ALA^B 443 7.84 58.63 109.45 8.51 58.14 110.71 8.17 58.39 110.08 2 0 1000.00 -999 ? >ASN^B 444 9.10 62.38 107.43 10.22 63.81 106.30 9.66 63.09 106.87 2 0 1000.00 -999 ? >PRO^B 445 12.81 60.60 111.45 11.80 62.49 110.86 12.31 61.54 111.15 3 0 1000.00 -999 ? >LYS^B 446 14.88 65.49 111.29 15.31 70.58 111.67 15.09 68.03 111.48 2 0 1000.00 -999 ? >ILE^B 447 18.83 62.99 110.68 19.13 61.56 110.44 18.98 62.28 110.56 3 0 1000.00 -999 ? >SER^B 448 21.03 66.57 112.63 19.15 67.49 113.78 20.09 67.03 113.21 2 0 1000.00 -999 ? >ASP^B 449 24.24 67.82 114.91 24.93 69.72 115.00 24.59 68.77 114.95 2 0 1000.00 -999 ? >GLU^B 450 28.66 66.43 117.18 29.05 67.52 119.01 28.86 66.98 118.09 2 0 1000.00 -999 ? >TYR^B 451 31.70 65.96 111.19 32.74 68.26 110.06 32.22 67.11 110.62 3 0 1000.00 -999 ? >ARG^B 452 37.80 64.00 116.17 38.41 66.73 117.47 38.11 65.36 116.82 2 0 1000.00 -999 ? >PHE^B 453 35.99 62.75 108.80 33.44 62.28 107.79 34.72 62.52 108.30 3 0 1000.00 -999 ? >VAL^B 454 40.95 61.68 112.04 40.33 60.94 113.96 40.64 61.31 113.00 3 0 1000.00 -999 ? >THR^B 455 44.06 59.76 111.31 45.26 60.79 109.87 44.66 60.27 110.59 2 0 1000.00 -999 ? >LEU^B 456 44.35 56.71 114.85 42.59 57.21 116.00 43.47 56.96 115.43 3 0 1000.00 -999 ? >ARG^B 457 52.52 58.49 115.27 51.43 61.34 115.31 51.98 59.92 115.29 2 0 1000.00 -999 ? >VAL^B 458 49.57 53.42 115.87 48.53 51.61 115.38 49.05 52.52 115.62 3 0 1000.00 -999 ? >ILE^B 459 52.90 54.08 119.27 53.19 55.11 119.89 53.05 54.59 119.58 3 0 1000.00 -999 ? >GLU^B 460 56.68 49.21 117.04 58.51 50.09 116.48 57.60 49.65 116.76 2 0 1000.00 -999 ? >GLY^B 461 52.96 48.96 121.55 52.71 49.05 120.78 52.84 49.00 121.17 1 0 1000.00 -999 ? >GLY^B 462 49.58 49.04 119.77 49.87 49.74 120.20 49.72 49.39 119.99 1 0 1000.00 -999 ? >ARG^B 463 49.97 55.14 123.82 52.59 56.38 122.82 51.28 55.76 123.32 2 0 1000.00 -999 ? >MET?B 464 47.03 54.98 119.31 43.54 53.26 117.57 45.29 54.12 118.44 2 0 1000.00 -999 ? >GLU^B 465 49.79 59.24 119.02 51.63 59.55 120.03 50.71 59.40 119.52 2 0 1000.00 -999 ? >LEU^B 466 44.54 62.52 118.16 42.98 63.73 117.19 43.76 63.12 117.67 3 0 1000.00 -999 ? >ALA^B 467 47.09 62.91 114.34 47.74 62.01 113.29 47.41 62.46 113.81 2 0 1000.00 -999 ? >ASP^B 468 45.74 64.98 110.15 47.82 65.18 109.73 46.78 65.08 109.94 2 0 1000.00 -999 ? >THR^B 469 41.80 65.76 112.37 41.04 66.18 114.32 41.42 65.97 113.35 2 0 1000.00 -999 ? >THR^B 470 38.81 67.74 111.22 37.92 67.95 109.28 38.36 67.84 110.25 2 0 1000.00 -999 ? >THR^B 471 35.67 68.36 113.23 35.81 68.56 115.38 35.74 68.46 114.30 2 0 1000.00 -999 ? >GLY^B 472 32.46 70.40 113.21 32.24 69.60 113.25 32.35 70.00 113.23 1 0 1000.00 -999 ? >HIS^B 473 28.15 71.33 114.95 28.39 70.99 117.01 28.27 71.16 115.98 3 0 1000.00 -999 ? >ILE^B 474 26.39 67.84 109.39 26.61 66.65 109.09 26.50 67.24 109.24 3 0 1000.00 -999 ? >GLY^B 475 23.27 70.60 110.66 23.51 69.80 110.43 23.39 70.20 110.55 1 0 1000.00 -999 ? >ASP^B 476 19.62 69.49 107.75 18.34 68.15 106.72 18.98 68.82 107.24 2 0 1000.00 -999 ? >LEU^B 477 22.05 64.17 108.95 24.01 64.04 109.71 23.03 64.10 109.33 3 0 1000.00 -999 ? >THR^B 478 19.62 64.74 105.04 17.61 65.09 105.73 18.62 64.91 105.38 2 0 1000.00 -999 ? >GLU^B 479 21.00 69.35 103.41 19.90 69.69 101.61 20.45 69.52 102.51 2 0 1000.00 -999 ? >PRO^B 480 23.00 64.41 99.47 23.87 65.34 101.28 23.44 64.87 100.38 3 0 1000.00 -999 ? >THR^B 481 27.70 66.75 102.30 27.23 68.20 103.84 27.47 67.48 103.07 2 0 1000.00 -999 ? >PHE^B 482 31.51 65.79 99.22 30.61 64.05 97.24 31.06 64.92 98.23 3 0 1000.00 -999 ? >PHE^B 483 32.71 66.48 105.94 30.08 67.14 106.63 31.39 66.81 106.28 3 0 1000.00 -999 ? >GLY^B 484 38.14 66.40 103.46 37.97 66.54 104.27 38.06 66.47 103.86 1 0 1000.00 -999 ? >LEU^B 485 41.08 64.33 106.29 41.76 64.11 108.31 41.42 64.22 107.30 3 0 1000.00 -999 ? >THR^B 486 44.98 65.86 104.41 46.02 67.33 103.23 45.50 66.60 103.82 2 0 1000.00 -999 ? >ALA^B 487 46.91 63.07 106.08 46.39 61.66 106.03 46.65 62.36 106.06 2 0 1000.00 -999 ? >HIS^B 488 52.81 64.59 106.65 54.84 64.38 106.18 53.83 64.49 106.42 3 0 1000.00 -999 ? >TYR^B 489 50.53 58.63 106.32 48.03 58.22 105.15 49.28 58.43 105.74 3 0 1000.00 -999 ? >THR^B 490 54.83 61.59 109.80 54.95 63.30 111.08 54.89 62.45 110.44 2 0 1000.00 -999 ? >ASP^B 491 58.23 58.19 109.57 58.94 56.29 110.23 58.58 57.24 109.90 2 0 1000.00 -999 ? >ALA^B 492 58.70 59.11 114.18 57.96 59.70 115.38 58.33 59.40 114.78 2 0 1000.00 -999 ? >PRO^B 493 62.53 58.01 116.00 60.50 57.08 115.65 61.52 57.55 115.83 3 0 1000.00 -999 ? >GLY^B 494 58.26 53.93 117.36 58.11 54.23 116.60 58.19 54.08 116.98 1 0 1000.00 -999 ? >THR^B 495 55.63 54.67 114.74 55.08 56.55 113.88 55.35 55.61 114.31 2 0 1000.00 -999 ? >LEU^B 496 53.32 50.54 114.18 53.24 48.42 113.70 53.28 49.48 113.94 3 0 1000.00 -999 ? >ASP^B 497 50.81 51.66 110.24 49.26 50.80 111.44 50.03 51.23 110.84 2 0 1000.00 -999 ? >TYR^B 498 49.43 57.26 110.46 51.30 59.00 111.53 50.36 58.13 111.00 3 0 1000.00 -999 ? >HIS^B 499 44.25 52.19 111.89 44.72 50.17 112.18 44.49 51.18 112.04 3 0 1000.00 -999 ? >ALA^B 500 41.74 56.54 109.25 41.62 56.83 107.77 41.68 56.69 108.51 2 0 1000.00 -999 ? >LEU^B 501 38.67 56.65 112.59 37.33 55.39 113.72 38.00 56.02 113.16 3 0 1000.00 -999 ? >GLY^B 502 35.20 58.92 110.68 35.21 58.25 111.18 35.21 58.59 110.93 1 0 1000.00 -999 ? >LEU^B 503 33.35 59.40 115.01 34.54 57.93 116.05 33.95 58.66 115.53 3 0 1000.00 -999 ? >VAL^B 504 29.40 61.07 113.47 28.64 61.60 111.50 29.02 61.33 112.49 3 0 1000.00 -999 ? >TYR^B 505 26.64 62.24 118.83 24.90 62.40 120.99 25.77 62.32 119.91 3 0 1000.00 -999 ? >ALA^B 506 23.45 63.01 115.73 23.31 62.92 114.20 23.38 62.96 114.97 2 0 1000.00 -999 ? >TYR^B 507 20.07 64.78 118.91 21.40 65.36 121.28 20.74 65.07 120.09 3 0 1000.00 -999 ? >VAL^B 508 16.84 61.70 115.23 16.41 59.84 114.30 16.63 60.77 114.76 3 0 1000.00 -999 ? >GLU^B 509 15.59 66.12 115.86 15.73 68.22 115.83 15.66 67.17 115.84 2 0 1000.00 -999 ? >ARG^B 510 10.16 58.82 118.16 9.68 57.78 120.99 9.92 58.30 119.57 2 0 1000.00 -999 ? >ASP^B 511 6.29 63.38 115.14 5.46 61.61 115.91 5.87 62.50 115.53 2 0 1000.00 -999 ? >ASP^B 512 6.29 62.29 120.43 8.04 61.23 120.92 7.17 61.76 120.67 2 0 1000.00 -999 ? >GLY^B 513 9.61 65.71 120.67 9.77 64.92 120.59 9.69 65.32 120.63 1 0 1000.00 -999 ? >VAL^B 514 11.93 62.91 121.82 11.58 60.99 122.84 11.75 61.95 122.33 3 0 1000.00 -999 ? >LYS^B 515 15.47 63.02 120.44 14.55 67.92 119.56 15.01 65.47 120.00 2 0 1000.00 -999 ? >ILE^B 516 16.41 58.58 118.93 15.58 57.43 118.83 15.99 58.01 118.88 3 0 1000.00 -999 ? >PRO^B 517 20.96 59.36 121.75 20.22 59.92 119.71 20.59 59.64 120.73 3 0 1000.00 -999 ? >ILE^B 518 21.88 57.62 115.65 20.85 57.89 114.71 21.36 57.75 115.18 3 0 1000.00 -999 ? >TRP^B 519 26.24 55.23 118.51 28.97 52.82 117.05 27.61 54.02 117.78 3 0 1000.00 -999 ? >LEU^B 520 27.78 56.42 111.60 27.64 55.13 109.84 27.71 55.78 110.72 3 0 1000.00 -999 ? >ALA^B 521 31.90 54.86 112.82 32.44 53.99 113.92 32.17 54.42 113.37 2 0 1000.00 -999 ? >ALA^B 522 33.42 54.33 109.41 32.82 55.16 108.32 33.12 54.75 108.86 2 0 1000.00 -999 ? >GLU^B 523 39.16 52.16 109.66 40.18 51.02 111.14 39.67 51.59 110.40 2 0 1000.00 -999 ? >PRO^B 524 38.45 55.66 105.64 38.17 53.48 106.00 38.31 54.57 105.82 3 0 1000.00 -999 ? >MET?B 525 40.23 49.98 104.84 38.90 47.72 106.74 39.56 48.85 105.79 2 0 1000.00 -999 ? >ILE^B 526 43.82 53.15 104.14 43.90 53.84 104.77 43.86 53.50 104.46 3 0 1000.00 -999 ? >SER^B 527 47.04 50.47 104.90 48.60 48.65 105.03 47.82 49.56 104.96 2 0 1000.00 -999 ? >VAL^B 528 50.07 52.62 105.51 50.16 54.49 106.64 50.11 53.56 106.08 3 0 1000.00 -999 ? >LEU^B 529 53.25 50.64 102.51 51.99 49.06 101.71 52.62 49.85 102.11 3 0 1000.00 -999 ? >SER^B 530 56.76 51.53 105.10 57.55 49.40 105.78 57.16 50.47 105.44 2 0 1000.00 -999 ? >ASN^B 531 60.64 53.41 102.84 62.37 53.10 101.62 61.51 53.26 102.23 2 0 1000.00 -999 ? >THR^B 532 60.93 48.83 101.61 59.22 47.63 101.16 60.08 48.23 101.39 2 0 1000.00 -999 ? >TYR^B 533 65.27 50.08 100.25 65.78 51.95 102.28 65.53 51.02 101.26 3 0 1000.00 -999 ? >THR^B 534 61.86 48.46 95.46 60.21 49.29 94.36 61.04 48.87 94.91 2 0 1000.00 -999 ? >VAL^B 535 64.36 46.50 93.43 65.40 44.63 93.77 64.88 45.57 93.60 3 0 1000.00 -999 ? >MET?B 536 62.49 46.73 90.12 61.97 42.77 89.17 62.23 44.75 89.64 2 0 1000.00 -999 ? >LYS^B 537 61.90 50.44 89.69 66.07 51.85 94.01 63.98 51.15 91.85 2 0 1000.00 -999 ? >ASP^B 538 58.79 52.49 86.52 57.02 51.85 87.50 57.91 52.17 87.01 2 0 1000.00 -999 ? >GLN^B 539 65.00 54.69 85.27 64.08 55.74 83.65 64.54 55.22 84.46 2 0 1000.00 -999 ? >ASP^B 540 65.53 49.07 86.72 66.18 50.42 88.20 65.85 49.75 87.46 2 0 1000.00 -999 ? >VAL^B 541 62.43 47.78 83.75 60.50 46.92 84.32 61.46 47.35 84.04 3 0 1000.00 -999 ? >LYS^B 542 62.15 50.15 80.78 60.87 55.52 82.09 61.51 52.83 81.43 2 0 1000.00 -999 ? >ASN^B 543 66.86 50.04 81.68 68.77 50.42 80.89 67.82 50.23 81.28 2 0 1000.00 -999 ? >LEU^B 544 65.58 44.96 81.57 66.65 43.74 82.97 66.11 44.35 82.27 3 0 1000.00 -999 ? >ILE^B 545 62.12 46.75 77.91 60.65 46.69 77.84 61.38 46.72 77.88 3 0 1000.00 -999 ? >ASP^B 546 65.89 50.05 76.15 66.04 51.31 74.42 65.97 50.68 75.28 2 0 1000.00 -999 ? >LEU^B 547 68.98 45.75 77.64 70.53 46.59 78.93 69.75 46.17 78.29 3 0 1000.00 -999 ? >TYR^B 548 64.79 41.73 74.89 63.76 39.42 73.75 64.27 40.58 74.32 3 0 1000.00 -999 ? >LYS^B 549 65.33 45.60 71.87 60.35 48.74 73.05 62.84 47.17 72.46 2 0 1000.00 -999 ? >LYS^B 550 69.08 46.16 71.42 70.07 51.91 73.85 69.58 49.04 72.63 2 0 1000.00 -999 ? >LYS^B 551 69.69 42.44 71.84 67.44 41.95 65.98 68.57 42.20 68.91 2 0 1000.00 -999 ? >ASP^B 552 72.72 44.79 74.84 74.53 44.89 75.95 73.63 44.84 75.39 2 0 1000.00 -999 ? >ARG^B 553 70.51 39.21 73.77 67.55 38.68 74.46 69.03 38.94 74.11 2 0 1000.00 -999 ? >GLU^B 554 77.98 41.70 77.99 78.42 39.74 78.68 78.20 40.72 78.33 2 0 1000.00 -999 ? >LYS^B 555 74.02 43.88 79.87 75.31 47.58 82.65 74.66 45.73 81.26 2 0 1000.00 -999 ? >ILE^B 556 69.86 41.44 79.05 68.57 41.22 78.38 69.21 41.33 78.72 3 0 1000.00 -999 ? >ASN^B 557 73.46 38.33 81.71 72.95 37.42 79.84 73.20 37.87 80.77 2 0 1000.00 -999 ? >ALA^B 558 74.49 42.05 83.84 75.29 43.10 83.07 74.89 42.57 83.46 2 0 1000.00 -999 ? >THR^B 559 71.51 44.02 85.17 70.22 45.53 84.35 70.86 44.77 84.76 2 0 1000.00 -999 ? >THR^B 560 69.49 40.94 86.12 68.67 39.32 85.00 69.08 40.13 85.56 2 0 1000.00 -999 ? >LYS^B 561 72.29 39.59 88.26 75.42 36.96 83.65 73.85 38.28 85.96 2 0 1000.00 -999 ? >ALA^B 562 72.29 42.82 90.24 72.40 44.22 89.65 72.34 43.52 89.94 2 0 1000.00 -999 ? >MET?B 563 68.53 42.64 90.92 66.34 43.80 87.54 67.44 43.22 89.23 2 0 1000.00 -999 ? >ILE^B 564 69.22 37.84 91.10 68.66 36.57 90.29 68.94 37.21 90.69 3 0 1000.00 -999 ? >ASN^B 565 72.55 40.72 94.10 73.80 39.37 93.04 73.17 40.04 93.57 2 0 1000.00 -999 ? >SER^B 566 69.26 42.94 96.07 69.67 44.80 94.55 69.46 43.87 95.31 2 0 1000.00 -999 ? >LEU^B 567 65.72 39.85 94.93 64.07 40.60 93.73 64.90 40.23 94.33 3 0 1000.00 -999 ? >GLN^B 568 70.54 36.72 98.42 69.21 35.22 99.15 69.88 35.97 98.79 2 0 1000.00 -999 ? >GLU^B 569 71.34 41.95 100.01 72.29 43.82 99.72 71.81 42.89 99.87 2 0 1000.00 -999 ? >LYS^B 570 65.49 41.41 101.06 61.87 44.98 98.16 63.68 43.20 99.61 2 0 1000.00 -999 ? >ILE^B 571 65.51 36.57 100.41 65.02 35.51 99.38 65.27 36.04 99.90 3 0 1000.00 -999 ? >ASP^B 572 68.91 38.53 104.19 70.16 37.36 102.88 69.53 37.94 103.54 2 0 1000.00 -999 ? >GLU^B 573 65.00 43.13 106.52 67.01 43.66 106.93 66.01 43.39 106.72 2 0 1000.00 -999 ? >ALA^B 574 62.43 38.31 105.75 61.99 37.74 104.41 62.21 38.02 105.08 2 0 1000.00 -999 ? >GLU^B 575 65.70 34.16 105.66 64.58 32.37 105.97 65.14 33.27 105.82 2 0 1000.00 -999 ? >GLN^B 576 67.66 38.66 109.86 68.60 40.33 108.91 68.13 39.49 109.38 2 0 1000.00 -999 ? >LEU^B 577 60.95 39.29 109.41 59.71 41.04 109.68 60.33 40.17 109.55 3 0 1000.00 -999 ? >LEU^B 578 60.80 34.13 109.26 59.92 32.17 109.09 60.36 33.15 109.18 3 0 1000.00 -999 ? >ALA^B 579 63.22 34.50 113.11 64.63 35.06 113.08 63.93 34.78 113.09 2 0 1000.00 -999 ? >LYS^B 580 61.70 36.95 115.58 64.38 42.59 114.43 63.04 39.77 115.00 2 0 1000.00 -999 ? >ALA^B 581 58.16 35.79 114.74 57.53 35.68 113.33 57.84 35.74 114.04 2 0 1000.00 -999 ? >LYS^B 582 58.93 32.22 115.90 62.04 29.49 111.21 60.49 30.86 113.56 2 0 1000.00 -999 ? >GLY^B 583 60.65 33.80 118.90 59.87 33.87 118.65 60.26 33.84 118.77 1 0 1000.00 -999 ? >MET?B 584 57.24 35.23 119.86 58.68 38.15 120.88 57.96 36.69 120.37 2 0 1000.00 -999 ? >ASN^B 585 54.51 31.67 120.14 55.50 29.83 120.52 55.01 30.75 120.33 2 0 1000.00 -999 ? >ASN^B 586 53.56 36.28 116.38 52.05 37.44 115.43 52.80 36.86 115.91 2 0 1000.00 -999 ? >GLU^B 587 49.54 30.81 113.54 50.86 29.21 113.06 50.20 30.01 113.30 2 0 1000.00 -999 ? >ASN^B 588 49.43 36.19 112.15 47.55 35.54 112.91 48.49 35.86 112.53 2 0 1000.00 -999 ? >ALA^B 589 53.70 36.81 111.80 54.44 37.27 113.04 54.07 37.04 112.42 2 0 1000.00 -999 ? >ILE^B 590 55.14 32.18 111.98 55.65 31.04 112.75 55.39 31.61 112.36 3 0 1000.00 -999 ? >GLU^B 591 51.31 31.34 109.36 49.30 30.65 109.38 50.30 30.99 109.37 2 0 1000.00 -999 ? >TYR^B 592 51.58 37.65 107.73 48.90 37.79 108.43 50.24 37.72 108.08 3 0 1000.00 -999 ? >ALA^B 593 57.23 36.19 107.02 58.00 35.97 108.32 57.61 36.08 107.67 2 0 1000.00 -999 ? >GLN^B 594 57.10 30.27 105.01 59.20 30.09 104.59 58.15 30.18 104.80 2 0 1000.00 -999 ? >GLY^B 595 55.06 34.33 102.73 55.83 34.58 102.95 55.45 34.46 102.84 1 0 1000.00 -999 ? >ALA^B 596 57.49 37.14 101.99 57.98 38.13 103.00 57.73 37.64 102.49 2 0 1000.00 -999 ? >ILE^B 597 60.86 33.71 102.72 61.81 33.10 103.69 61.33 33.40 103.21 3 0 1000.00 -999 ? >ASP^B 598 57.39 31.83 99.43 57.68 30.48 101.03 57.53 31.16 100.23 2 0 1000.00 -999 ? >GLU^B 599 55.20 36.49 97.83 54.25 35.58 96.19 54.72 36.04 97.01 2 0 1000.00 -999 ? >TYR^B 600 61.27 38.86 98.57 60.37 41.18 99.84 60.82 40.02 99.20 3 0 1000.00 -999 ? >LYS^B 601 62.36 33.73 95.74 63.91 29.81 100.43 63.14 31.77 98.09 2 0 1000.00 -999 ? >ALA^B 602 59.65 33.45 93.14 58.17 33.55 93.42 58.91 33.50 93.28 2 0 1000.00 -999 ? >ALA^B 603 60.66 36.83 91.69 60.65 38.16 92.43 60.66 37.49 92.06 2 0 1000.00 -999 ? >ILE^B 604 65.10 35.01 92.50 66.20 34.87 93.35 65.65 34.94 92.92 3 0 1000.00 -999 ? >ASN^B 605 62.08 31.55 90.18 61.78 29.89 88.88 61.93 30.72 89.53 2 0 1000.00 -999 ? >ASP^B 606 60.07 35.54 87.51 58.44 34.34 88.04 59.25 34.94 87.78 2 0 1000.00 -999 ? >LEU^B 607 65.05 37.77 87.77 64.71 39.90 88.14 64.88 38.83 87.95 3 0 1000.00 -999 ? >GLN^B 608 67.57 33.08 87.76 67.49 31.80 89.45 67.53 32.44 88.60 2 0 1000.00 -999 ? >LYS^B 609 63.75 32.58 83.27 61.82 27.74 85.74 62.79 30.16 84.50 2 0 1000.00 -999 ? >ALA^B 610 63.55 36.06 81.77 63.12 37.31 82.57 63.34 36.68 82.17 2 0 1000.00 -999 ? >ALA^B 611 67.26 36.44 81.02 68.37 36.28 82.05 67.82 36.36 81.53 2 0 1000.00 -999 ? >GLN^B 612 67.76 31.69 80.93 67.22 30.16 82.31 67.49 30.92 81.62 2 0 1000.00 -999 ? >GLN^B 613 62.18 34.25 78.51 61.76 32.18 78.32 61.97 33.22 78.41 2 0 1000.00 -999 ? >ASP^B 614 65.17 34.58 72.25 64.72 32.59 71.82 64.94 33.59 72.04 2 0 1000.00 -999 ? >ASP^B 615 59.29 34.61 72.98 57.45 35.29 72.13 58.37 34.95 72.55 2 0 1000.00 -999 ? >TYR^B 616 59.29 41.67 72.92 58.99 44.26 73.91 59.14 42.97 73.41 3 0 1000.00 -999 ? >GLN^B 617 53.87 38.15 75.00 53.38 40.16 75.51 53.63 39.15 75.25 2 0 1000.00 -999 ? >MET?B 618 57.90 35.85 77.08 55.99 33.31 76.86 56.94 34.58 76.97 2 0 1000.00 -999 ? >PHE^B 619 62.47 39.89 78.10 64.39 41.48 79.34 63.43 40.69 78.72 3 0 1000.00 -999 ? >LEU^B 620 56.90 41.37 78.20 57.36 43.19 77.11 57.13 42.28 77.65 3 0 1000.00 -999 ? >ASN^B 621 55.24 36.81 80.35 53.64 37.15 78.99 54.44 36.98 79.67 2 0 1000.00 -999 ? >TYR^B 622 59.38 34.49 82.71 58.67 31.81 82.61 59.02 33.15 82.66 3 0 1000.00 -999 ? >LEU^B 623 59.94 41.34 82.82 61.94 42.17 82.69 60.94 41.75 82.76 3 0 1000.00 -999 ? >ASN^B 624 54.96 41.50 83.89 53.35 42.56 84.75 54.16 42.03 84.32 2 0 1000.00 -999 ? >ALA^B 625 55.71 38.20 86.81 56.10 36.85 86.29 55.90 37.53 86.55 2 0 1000.00 -999 ? >ALA^B 626 58.84 39.27 88.63 60.19 39.51 87.96 59.51 39.39 88.29 2 0 1000.00 -999 ? >LYS^B 627 57.72 42.72 89.84 56.61 47.90 87.22 57.17 45.31 88.53 2 0 1000.00 -999 ? >LYS^B 628 54.28 41.53 90.94 51.50 43.98 86.86 52.89 42.76 88.90 2 0 1000.00 -999 ? >HIS^B 629 56.15 36.53 92.32 55.08 34.85 91.64 55.61 35.69 91.98 3 0 1000.00 -999 ? >GLU^B 630 60.58 42.83 94.56 61.41 44.78 94.33 61.00 43.80 94.45 2 0 1000.00 -999 ? >MET?B 631 55.26 43.73 95.27 53.61 45.31 91.73 54.43 44.52 93.50 2 0 1000.00 -999 ? >ALA^B 632 53.61 40.75 97.01 53.19 39.44 96.37 53.40 40.10 96.69 2 0 1000.00 -999 ? >GLY^B 633 56.66 40.06 99.13 56.20 40.76 99.01 56.43 40.41 99.07 1 0 1000.00 -999 ? >ASP^B 634 56.84 44.92 99.07 58.77 45.08 98.22 57.80 45.00 98.64 2 0 1000.00 -999 ? >TYR^B 635 51.28 44.08 99.51 50.10 45.96 97.79 50.69 45.02 98.65 3 0 1000.00 -999 ? >TYR^B 636 53.51 38.14 102.20 51.53 36.36 101.47 52.52 37.25 101.83 3 0 1000.00 -999 ? >VAL^B 637 56.92 42.03 105.07 58.43 42.80 103.70 57.68 42.41 104.38 3 0 1000.00 -999 ? >ASN^B 638 53.78 45.74 104.98 54.91 47.38 104.18 54.35 46.56 104.58 2 0 1000.00 -999 ? >ALA^B 639 52.04 42.32 107.16 51.47 41.19 106.35 51.75 41.75 106.76 2 0 1000.00 -999 ? >ALA^B 640 54.54 40.50 109.35 55.72 39.71 108.85 55.13 40.10 109.10 2 0 1000.00 -999 ? >ARG^B 641 57.61 47.12 110.26 56.93 50.06 110.82 57.27 48.59 110.54 2 0 1000.00 -999 ? >LYS^B 642 52.35 44.86 111.67 50.80 48.34 106.82 51.58 46.60 109.25 2 0 1000.00 -999 ? >ALA^B 643 51.50 41.44 113.18 51.59 40.08 112.49 51.54 40.76 112.83 2 0 1000.00 -999 ? >LEU^B 644 55.96 41.52 115.15 57.11 39.76 114.63 56.53 40.64 114.89 3 0 1000.00 -999 ? >ASN^B 645 54.50 46.28 116.05 56.57 46.06 115.78 55.54 46.17 115.92 2 0 1000.00 -999 ? >GLY^B 646 50.19 44.82 117.69 50.39 45.08 116.98 50.29 44.95 117.33 1 0 1000.00 -999 ? >ASP^B 647 48.70 46.99 113.79 47.14 47.94 112.73 47.92 47.47 113.26 2 0 1000.00 -999 ? >LEU^B 648 46.15 41.50 114.53 46.49 39.39 114.41 46.32 40.45 114.47 3 0 1000.00 -999 ? >GLU^B 649 42.37 44.73 113.46 41.66 46.39 114.60 42.01 45.56 114.03 2 0 1000.00 -999 ? >GLN^B 650 47.17 48.11 108.17 47.18 50.22 108.37 47.18 49.17 108.27 2 0 1000.00 -999 ? >ALA^B 651 48.41 43.24 108.85 48.99 42.49 110.04 48.70 42.86 109.45 2 0 1000.00 -999 ? >LYS^B 652 45.52 41.13 107.58 41.68 39.22 111.83 43.60 40.18 109.71 2 0 1000.00 -999 ? >ILE^B 653 44.55 45.29 105.23 43.64 46.49 105.02 44.10 45.89 105.12 3 0 1000.00 -999 ? >ASP^B 654 49.57 44.11 104.41 49.71 46.23 104.63 49.64 45.17 104.52 2 0 1000.00 -999 ? >ALA^B 655 48.19 39.87 103.72 47.75 39.03 104.87 47.97 39.45 104.29 2 0 1000.00 -999 ? >GLU^B 656 42.88 40.63 100.58 42.21 38.69 100.00 42.54 39.66 100.29 2 0 1000.00 -999 ? >LYS^B 657 46.96 42.31 99.02 44.51 45.74 96.62 45.74 44.03 97.82 2 0 1000.00 -999 ? >ALA^B 658 49.98 40.04 99.11 50.61 39.49 100.40 50.30 39.76 99.75 2 0 1000.00 -999 ? >LYS^B 659 47.94 37.01 98.09 45.93 31.79 96.83 46.93 34.40 97.46 2 0 1000.00 -999 ? >GLU^B 660 44.21 40.04 96.54 43.03 41.77 96.75 43.62 40.90 96.64 2 0 1000.00 -999 ? >TYR^B 661 49.68 42.91 94.21 48.56 45.44 93.98 49.12 44.17 94.10 3 0 1000.00 -999 ? >SER^B 662 50.80 36.96 93.98 51.64 34.99 95.00 51.22 35.98 94.49 2 0 1000.00 -999 ? >ASN^B 663 46.50 35.27 92.47 46.24 34.17 94.26 46.37 34.72 93.37 2 0 1000.00 -999 ? >LEU^B 664 48.29 39.72 89.78 47.90 41.18 88.22 48.10 40.45 89.00 3 0 1000.00 -999 ? >ALA^B 665 51.95 37.37 89.04 52.92 37.26 90.20 52.43 37.31 89.62 2 0 1000.00 -999 ? >LYS^B 666 51.06 33.73 88.36 51.65 31.60 93.58 51.35 32.66 90.97 2 0 1000.00 -999 ? >GLU^B 667 46.53 36.00 86.26 45.31 34.41 85.60 45.92 35.20 85.93 2 0 1000.00 -999 ? >TYR^B 668 51.79 37.96 83.73 50.04 40.08 83.32 50.91 39.02 83.53 3 0 1000.00 -999 ? >GLU^B 669 55.22 33.03 86.64 55.23 32.84 88.76 55.22 32.94 87.70 2 0 1000.00 -999 ? >PRO^B 670 55.51 29.84 81.34 53.62 29.88 82.53 54.56 29.86 81.94 3 0 1000.00 -999 ?