PARAM/DNA-PROT_scbase.parm.bak

   1 esp_scbase(i,j),sigma_scbase(i,j),chi_scbase(i,j),&
   2         chi_scbase(j,i),chipp_scbase(i,j),chipp_scbase(j,i), &
   3        (alphasur_scbase(k,i,j),k=1,4),sigmap1_scbase(i,j),sigmap2_scbase(i,j), &
   4        chis_scbase(i,j),chis_scbase(j,i), &
   5        dhead_scbasei(i,j), &
   6        dhead_scbasej(i,j), &
   7        epshead_scbase(i,j),sig0head_scbase(i,j), &
   8        rborn_scbase(i,j),rborn_scbase(j,i), &
   9        (wdipdip_scbase(k,i,j),k=1,3), &
  10        (wqdip_scbase(k,i,j),k=1,2), &
  11        alphapol_scbase(i,j),alphapol_scbase(j,i), &
  12        epsintab_scbase(i,j)
  13 1.20 3.37 -0.167 -0.087 -0.972 -0.046                      !block LJ
  14 1.62 3.33 0.01 1.91 1.84 2.45 0.561 0.241                  !block cavity
  15 0.0 0.0 0.0 0.0
  16 0.0 0.0 0.0 0.0 0.0
  17 0.0 0.0                                            !CysAGCT
  18 1.2 3.43 -0.151 -0.023 -0.840 -0.073
  19 1.60 3.12 0.004 1.90 1.90 2.53 0.538 0.173
  20 0.0 0.0 0.0 0.0
  21 0.0 0.0 0.0 0.0 0.0
  22 0.0 0.0                                            ! CysG
  23 0.90 3.77 -0.127 -0.166 -0.892 0.024
  24 1.39 2.71 0.001 1.95 1.77 2.35 0.703 0.215
  25 0.0 0.0 0.0 0.0
  26 0.0 0.0 0.0 0.0 0.0
  27 0.0 0.0                                            ! CysC
  28 1.00 3.73 -0.148 0.173 -0.761 0.475
  29 2.26 3.30 1.26 1.98 1.37 1.82 0.914 0.036
  30 0.0 0.0 0.0 0.0
  31 0.0 0.0 0.0 0.0 0.0
  32 0.0 0.0                                            ! CysT
  33 1.00 3.55 -0.042 0.044 -0.979 0.054
  34 1.73 2.97 0.0004 1.94 1.67 2.22 0.745 0.404
  35 0.0 0.0 0.0 0.0
  36 0.0 0.0 0.0 0.0 0.0
  37 0.0 0.0                                            !MetA
  38 1.60 3.47 0.032 0.195 -0.761 -0.020
  39 2.07 3.30 0.03 1.87 1.86 2.47 0.630 0.433
  40 0.0 0.0 0.0 0.0
  41 0.0 0.0 0.0 0.0 0.0
  42 0.0 0.0                                            !MetG
  43 1.20 3.71 0.138 0.090 -0.359 0.578
  44 1.49 2.97 0.06 2.01 1.36 1.81 0.966 0.107
  45 0.0 0.0 0.0 0.0
  46 0.0 0.0 0.0 0.0 0.0
  47 0.0 0.0                                            !MetC
  48 1.52 3.67 0.068 0.049 -0.557 0.316
  49 1.80 3.18 0.002 1.99 1.43 1.90 0.930 0.149
  50 0.0 0.0 0.0 0.0
  51 0.0 0.0 0.0 0.0 0.0
  52 0.0 0.0                                            !MetT
  53 0.80 3.69 -0.053 0.131 -0.936 0.052
  54 1.27 2.81 0.38 1.98 1.65 2.19 0.771 0.449
  55 0.0 0.0 0.0 0.0
  56 0.0 0.0 0.0 0.0 0.0
  57 0.0 0.0                                            !PheA
  58 2.00 3.59 -0.010 0.088 -0.869 -0.007
  59 2.03 3.27 0.04 1.86 1.97 2.61 0.650 0.187
  60 0.0 0.0 0.0 0.0
  61 0.0 0.0 0.0 0.0 0.0
  62 0.0 0.0                                            !PheG
  63 0.80 3.68 0.196 0.171 -0.278 0.238
  64 0.75 2.60 0.07 2.00 1.70 2.25 0.710 0.640
  65 0.0 0.0 0.0 0.0
  66 0.0 0.0 0.0 0.0 0.0
  67 0.0 0.0                                            !PheC
  68 1.60 3.65 0.220 -0.275 0.053 -0.845
  69 1.51 3.00 0.01 1.95 1.94 2.57 0.380 0.464
  70 0.0 0.0 0.0 0.0
  71 0.0 0.0 0.0 0.0 0.0
  72 0.0 0.0                                            !PheT
  73 1.60 3.75 -0.132 0.071 -0.845 0.040
  74 1.85 3.00 0.04 1.87 2.01 2.67 0.572 0.216
  75 0.0 0.0 0.0 0.0
  76 0.0 0.0 0.0 0.0 0.0
  77 0.0 0.0                                            !IleA
  78 1.60 3.78 -0.183 0.109 -0.911 0.079
  79 1.93 3.21 0.01 1.88 1.93 2.57 0.619 0.201
  80 0.0 0.0 0.0 0.0
  81 0.0 0.0 0.0 0.0 0.0
  82 0.0 0.0                                           !IleG
  83 1.60 4.08 -0.121 -0.003 -0.678 0.108
  84 1.74 2.94 0.92 1.96 1.68 2.23 0.839 0.126
  85 0.0 0.0 0.0 0.0
  86 0.0 0.0 0.0 0.0 0.0
  87 0.0 0.0                                           !IleC
  88 1.60 3.99 -0.265 0.135 -0.760 0.179
  89 2.11 3.21 0.08 1.95 1.49 1.98 0.904 0.054
  90 0.0 0.0 0.0 0.0
  91 0.0 0.0 0.0 0.0 0.0
  92 0.0 0.0                                           !IleT
  93 1.20 3.83 -0.052 0.222 -0.707 0.472
  94 0.57 14.48 3.35 2.23 1.40 1.86 0.945 0.072
  95 0.0 0.0 0.0 0.0
  96 0.0 0.0 0.0 0.0 0.0
  97 0.0 0.0                                           !LeuA
  98 4.00 3.51 0.143 0.051 -0.161 -0.196
  99 0.67 14.76 0.01 1.86 2.35 3.12 0.318 0.241
 100 0.0 0.0 0.0 0.0
 101 0.0 0.0 0.0 0.0 0.0
 102 0.0 0.0                                           !LeuG
 103 1.20 4.05 0.161 0.127 -0.114 0.208
 104 1.14 2.46 1.59 1.98 1.95 2.59 0.623 0.604
 105 0.0 0.0 0.0 0.0
 106 0.0 0.0 0.0 0.0 0.0
 107 0.0 0.0                                           !LeuC
 108 1.87 3.95 -0.052 0.180 -0.468 0.278
 109 0.68 14.73 1.94 2.05 1.55 2.06 0.864 0.141
 110 0.0 0.0 0.0 0.0
 111 0.0 0.0 0.0 0.0 0.0
 112 0.0 0.0                                           !LeuT
 113 1.60 3.67 -0.086 0.032 -0.724 0.009
 114 1.83 3.03 0.12 1.85 2.09 2.78 0.478 0.232
 115 0.0 0.0 0.0 0.0
 116 0.0 0.0 0.0 0.0 0.0
 117 0.0 0.0                                           !ValA
 118 1.60 3.72 -0.097 0.067 -0.688 0.026
 119 1.73 3.00 0.03 1.86 2.06 2.74 0.495 0.296
 120 0.0 0.0 0.0 0.0
 121 0.0 0.0 0.0 0.0 0.0
 122 0.0 0.0                                           !ValG
 123 1.60 3.91 -0.001 -0.048 -0.428 0.006
 124 1.34 2.79 0.01 1.85 2.23 2.97 0.435 0.303
 125 0.0 0.0 0.0 0.0
 126 0.0 0.0 0.0 0.0 0.0
 127 0.0 0.0                                           !ValC
 128 1.20 3.99 -0.098 0.225 -0.597 0.759
 129 1.45 2.81 0.07 2.03 1.37 1.83 0.974 -0.025
 130 0.0 0.0 0.0 0.0
 131 0.0 0.0 0.0 0.0 0.0
 132 0.0 0.0                                           !ValT
 133 1.00 3.68 0.200 0.219 0.050 0.348
 134 0.30 1.00 0.00005 2.08 1.66 2.21 0.788 0.759
 135 0.0 0.0 0.0 0.0
 136 0.0 0.0 0.0 0.0 0.0
 137 0.0 0.0                                           !TrpA
 138 1.60 3.70 -0.040 0.065 -0.874 -0.013
 139 1.97 2.90 0.006 1.92 1.85 2.47 0.721 0.260
 140 0.0 0.0 0.0 0.0
 141 0.0 0.0 0.0 0.0 0.0
 142 0.0 0.0                                           !TrpG
 143 1.00 3.73 0.101 0.040 -0.478 0.027
 144 1.06 2.66 0.03 1.94 1.86 2.47 0.699 0.459
 145 0.0 0.0 0.0 0.0
 146 0.0 0.0 0.0 0.0 0.0
 147 0.0 0.0                                           !TrpC
 148 1.60 3.64 0.132 0.276 0.071 0.420
 149 0.89 2.72 0.003 1.97 1.80 2.20 0.462 0.537
 150 0.0 0.0 0.0 0.0
 151 0.0 0.0 0.0 0.0 0.0
 152 0.0 0.0                                           !TrpT
 153 1.00 3.58 0.114 0.129 -0.216 0.206
 154 0.93 2.54 1.13 2.09 1.50 2.00 0.811 0.609
 155 0.0 0.0 0.0 0.0
 156 0.0 0.0 0.0 0.0 0.0
 157 0.0 0.0                                           !TyrA
 158 2.00 3.57 0.195 -0.064 0.043 -0.997
 159 2.39 3.43 0.004 1.90 1.75 2.33 0.205 0.778
 160 0.0 0.0 0.0 0.0
 161 0.0 0.0 0.0 0.0 0.0
 162 0.0 0.0                                           !TyrG
 163 0.60 3.64 0.302 0.354 -0.017 0.974
 164 0.10 1.42 3.29 2.18 1.32 1.75 0.451 0.533
 165 0.0 0.0 0.0 0.0
 166 0.0 0.0 0.0 0.0 0.0
 167 0.0 0.0                                           !TyrC
 168 2.40 3.51 -0.081 0.119 -0.878 0.094
 169 2.97 3.49 0.03 1.84 1.73 2.30 0.705 0.161
 170 0.0 0.0 0.0 0.0
 171 0.0 0.0 0.0 0.0 0.0
 172 0.0 0.0                                           !TyrT
 173 1.60 3.25 -0.052 0.025 -0.449 -0.080
 174 1.65 2.99 0.03 1.93 2.00 2.66 0.383 0.166
 175 0.0 0.0 0.0 0.0
 176 0.0 0.0 0.0 0.0 0.0
 177 0.0 0.0                                           !AlaA
 178 1.60 3.28 -0.016 0.077 -0.540 -0.025
 179 1.63 2.93 0.10 1.91 2.01 2.68 0.401 0.301
 180 0.0 0.0 0.0 0.0
 181 0.0 0.0 0.0 0.0 0.0
 182 0.0 0.0                                           !AlaG
 183 1.60 3.50 -0.016 -0.290 -0.427 -0.094
 184 1.71 2.99 0.03 1.88 2.05 2.72 0.402 0.148
 185 0.0 0.0 0.0 0.0
 186 0.0 0.0 0.0 0.0 0.0
 187 0.0 0.0                                           !AlaC
 188 1.60 3.41 0.018 -0.238 -0.393 -0.110
 189 1.63 2.88 0.02 1.93 2.03 2.70 0.390 0.227
 190 0.0 0.0 0.0 0.0
 191 0.0 0.0 0.0 0.0 0.0
 192 0.0 0.0                                           !AlaT
 193 0.55 3.13 -0.217 -0.037 -0.997 0.019
 194 1.00 2.63 0.05 1.98 1.84 2.44 0.337 0.292
 195 0.0 0.0 0.0 0.0
 196 0.0 0.0 0.0 0.0 0.0
 197 0.0 0.0                                           !GlyA
 198 1.20 2.91 -0.031 0.032 -0.594 0.008
 199 1.45 2.68 0.17 2.10 1.96 2.61 0.248 0.225
 200 0.0 0.0 0.0 0.0
 201 0.0 0.0 0.0 0.0 0.0
 202 0.0 0.0                                           !GlyG
 203 0.24 3.63 -0.088 -0.323 -1.000 0.071
 204 1.95 2.66 1.92 2.07 1.37 1.82 0.142 0.780
 205 0.0 0.0 0.0 0.0
 206 0.0 0.0 0.0 0.0 0.0
 207 0.0 0.0                                           !GlyC
 208 0.50 3.51 -0.336 0.082 -0.938 0.369
 209 1.35 2.94 1.21 2.08 1.12 1.48 0.967 0.012
 210 0.0 0.0 0.0 0.0
 211 0.0 0.0 0.0 0.0 0.0
 212 0.0 0.0                                           !GlyT
 213 0.80 3.68 -0.159 -0.025 -0.998 -0.50
 214 0.38 14.58 0.43 2.28 1.85 2.20 0.685 0.307
 215 0.0 0.0 0.0 0.0
 216 5.782 35.876 35.053 0.0 0.0
 217 0.0 0.0                                           !ThrA
 218 1.80 3.48 -0.048 -0.029 -0.528 -0.082
 219 0.49 14.55 0.03 2.19 2.28 2.71 0.401 0.223
 220 0.0 0.0 0.0 0.0
 221 3.794 35.889 35.474 0.0 0.0
 222 0.0 0.0                                           !ThrG
 223 0.80 3.92 -0.110 -0.137 -0.956 0.046
 224 0.35 14.54 0.01 2.24 2.06 2.45 0.630 0.265
 225 0.0 0.0 0.0 0.0
 226 6.386 35.972 34.505 0.0 0.0
 227 0.0 0.0                                           !ThrC
 228 0.40 3.97 -0.031 0.152 -0.999 0.270
 229 0.13 14.55 0.05 2.25 2.05 2.45 0.557 0.636
 230 0.0 0.0 0.0 0.0
 231 5.010 35.265 32.821 0.0 0.0
 232 0.0 0.0                                           !ThrT
 233 0.60 3.53 -0.115 -0.128 -1.000 0.007
 234 0.28 14.57 0.03 2.29 1.77 2.11 0.685 0.328
 235 0.0 0.0 0.0 0.0
 236 3.240 35.343 33.758 0.0 0.0
 237 0.0 0.0                                           !SerA
 238 0.80 3.51 -0.209 -0.033 -0.997 -0.0003
 239 0.32 14.60 0.04 2.24 1.87 2.23 0.642 0.209
 240 0.0 0.0 0.0 0.0
 241 0.018 35.284 32.678 0.0 0.0
 242 0.0 0.0                                           !SerG
 243 0.80 3.68 -0.070 -0.158 -0.745 -0.060
 244 0.28 14.26 0.17 2.31 1.95 2.33 0.662 0.190
 245 0.0 0.0 0.0 0.0
 246 0.148 29.330 0.755 0.0 0.0
 247 0.0 0.0                                           !SerC
 248 0.60 3.68 -0.121 -0.090 -0.997 0.041
 249 0.25 14.68 0.08 2.16 1.81 2.15 0.714 0.302
 250 0.0 0.0 0.0 0.0
 251 1.384 33.437 21.906 0.0 0.0
 252 0.0 0.0                                           !SerT
 253 1.20 3.51 0.041 0.100 -0.992 0.015
 254 0.50 14.43 0.01 2.29 1.92 2.29 0.705 0.356
 255 0.0 0.0 0.0 0.0
 256 0.030 35.098 31.323 0.0 0.0
 257 0.0 0.0                                           !GlnA
 258 1.20 3.57 -0.090 0.066 -1.000 -0.001
 259 0.53 14.58 0.21 2.27 1.82 2.17 0.764 0.190
 260 0.0 0.0 0.0 0.0
 261 0.001 35.631 35.077 0.0 0.0
 262 0.0 0.0                                           !GlnG
 263 1.20 3.81 -0.059 -0.043 -0.831 0.0004
 264 0.45 14.56 0.02 2.31 1.79 2.14 0.836 0.135
 265 0.0 0.0 0.0 0.0
 266 1.113 35.347 34.502 0.0 0.0
 267 0.0 0.0                                           !GlnC
 268 1.20 3.71 -0.057 -0.050 -0.941 -0.032
 269 0.49 14.58 0.55 2.29 1.77 2.11 0.841 0.141
 270 0.0 0.0 0.0 0.0
 271 0.016 35.641 34.421 0.0 0.0
 272 0.0 0.0                                           !GlnT
 273 1.20 3.48 -0.214 0.065 -1.000 -0.024
 274 0.48 14.58 0.73 2.28 1.86 2.22 0.684 0.212
 275 0.0 0.0 0.0 0.0
 276 0.003 35.890 35.725 0.0 0.0
 277 0.0 0.0                                           !AsnA
 278 1.20 3.52 -0.253 0.010 -1.000 -0.017
 279 0.48 14.57 0.88 2.29 1.86 2.22 0.682 0.164
 280 0.0 0.0 0.0 0.0
 281 0.038 35.945 35.791 0.0 0.0
 282 0.0 0.0                                           !AsnG
 283 1.20 3.74 -0.019 -0.231 -0.738 -0.078
 284 0.35 14.56 0.07 2.22 2.12 2.53 0.623 0.278
 285 0.0 0.0 0.0 0.0
 286 0.011 36.033 34.968 0.0 0.0
 287 0.0 0.0                                           !AsnC
 288 1.20 3.57 -0.083 -0.072 -0.759 -0.110
 289 0.43 14.56 1.11 2.25 2.07 2.47 0.587 0.165
 290 0.0 0.0 0.0 0.0
 291 0.003 35.936 35.802 0.0 0.0
 292 0.0 0.0                                           !AsnT
 293 0.80 3.80 -0.106 0.063 -0.992 0.030
 294 0.47 14.52 3.10 2.12 1.90 2.53 0.618 0.377
 295 0.047 0.065 2.00 1.00
 296 0.0 0.0 0.0 1.448 2.794
 297 0.0018 0.60                                       !GluA
 298 0.80 3.83 0.141 -0.048 -0.045 -0.918
 299 0.40 14.47 3.20 2.13 2.02 2.69 0.354 0.653
 300 0.000 0.106 2.00 1.00
 301 0.0 0.0 0.0 9.597 2.531
 302 0.0054 0.60                                       !GluG
 303 1.00 3.95 0.090 -0.021 -0.524 -0.062
 304 0.35 14.54 2.93 2.06 2.12 2.82 0.544 0.383
 305 0.010 0.048 2.00 1.00
 306 0.0 0.0 0.0 3.487 2.527
 307 0.0011 0.60                                       !GluC
 308 0.80 4.02 -0.062 -0.059 -0.923 0.002
 309 0.52 14.49 3.22 2.16 1.91 2.41 0.688 0.388
 310 0.792 0.212 2.00 1.00
 311 0.0 0.0 0.0 6.126 2.686
 312 0.0022 0.60                                       !GluT
 313 0.80 3.74 -0.184 -0.558 -0.991 -0.151
 314 0.56 14.47 3.36 2.12 2.06 2.74 0.428 0.139
 315 0.124 0.625 2.00 1.00
 316 0.0 0.0 0.0 0.005 2.140
 317 0.0133 0.60                                       !AspA
 318 0.40 3.99 0.057 -0.022 -0.106 -0.998
 319 0.26 14.75 0.01 1.96 1.91 2.53 0.149 0.834
 320 1.022 0.779 2.00 1.00
 321 0.0 0.0 0.0 15.412 0.012
 322 0.0000 0.61                                       !AspG
 323 0.80 3.98 0.057 -0.043 -0.042 -0.753
 324 0.37 14.46 3.42 2.12 2.09 2.78 0.510 0.300
 325 0.025 0.617 2.00 1.00
 326 0.0 0.0 0.0 0.0 2.083
 327 0.0152 0.60                                       !AspC
 328 0.20 4.18 0.015 -0.012 -0.997 0.063
 329 1.41 14.56 3.29 2.22 1.21 1.60 0.497 0.739
 330 0.008 0.426 2.00 1.00
 331 0.0 0.0 0.0 0.002 2.566
 332 0.0047 0.60                                       !AspT
 333 1.20 3.54 -0.014 0.168 -0.919 0.059
 334 1.52 2.87 0.04 1.95 1.71 2.28 0.730 0.384
 335 0.0 0.0 0.0 0.0
 336 0.0 0.0 0.0 0.0 0.0
 337 0.0 0.0                                           !HisA
 338 1.80 3.54 -0.022 0.091 -0.920 -0.036
 339 2.08 3.34 0.01 1.88 1.88 2.50 0.670 0.153
 340 0.0 0.0 0.0 0.0
 341 0.0 0.0 0.0 0.0 0.0
 342 0.0 0.0                                           !HisG
 343 1.20 3.69 0.114 0.013 -0.497 0.014
 344 1.21 2.75 0.07 1.98 1.75 2.33 0.737 0.399
 345 0.0 0.0 0.0 0.0
 346 0.0 0.0 0.0 0.0 0.0
 347 0.0 0.0                                           !HisC
 348 1.40 3.65 0.240 0.183 -0.138 0.091
 349 0.46 2.56 0.11 1.99 1.84 2.45 0.666 0.660
 350 0.0 0.0 0.0 0.0
 351 0.0 0.0 0.0 0.0 0.0
 352 0.0 0.0                                           !HisT
 353 1.20 3.41 0.261 0.005 0.030 -0.993
 354 0.64 14.59 2.63 2.09 1.84 2.44 0.528 0.563
 355 0.001 0.942 2.00 1.00
 356 0.0 0.0 0.0 0.014 3.091
 357 0.0018 0.60                                       !ArgA
 358 1.10 3.41 0.284 -0.146 0.048 -0.992
 359 0.56 14.57 2.73 2.13 1.69 2.25 0.426 0.643
 360 0.454 0.792 2.00 1.00
 361 0.0 0.0 0.0 0.025 4.334
 362 0.00003 0.60                                      !ArgG
 363 1.20 3.26 0.332 -0.064 0.010 -0.999
 364 0.52 14.46 2.30 2.07 1.79 2.38 0.555 0.511
 365 0.238 1.830 2.00 1.00
 366 0.0 0.0 0.0 0.003 3.596
 367 0.0007 0.60                                       !ArgC
 368 0.80 3.56 0.154 -0.134 -0.102 -0.799
 369 0.47 14.48 3.33 2.20 1.68 2.23 0.613 0.518
 370 0.066 0.671 2.00 1.00
 371 0.0 0.0 0.0 0.194 2.302
 372 0.0102 0.60                                       !ArgT
 373 0.80 3.17 0.248 0.167 -0.113 -0.326
 374 1.63 1.70 14.58 3.29 1.21 1.61 0.315 0.443
 375 0.010 0.546 3.00 1.00
 376 0.0 0.0 0.0 1.939 0.015
 377 0.0193 0.60                                       !LysA
 378 0.70 3.55 0.146 -0.141 -0.082 -0.926
 379 0.39 14.33 3.44 2.28 1.70 2.26 0.629 0.572
 380 0.000 0.704 2.00 1.00
 381 0.0 0.0 0.0 0.032 2.721
 382 0.0030 0.60                                       !LysG
 383 0.45 3.90 0.084 -0.189 -0.203 -0.715
 384 0.41 14.49 3.25 2.22 1.49 1.98 0.819 0.555
 385 0.000 0.893 2.00 1.00
 386 0.0 0.0 0.0 0.062 3.318
 387 0.0013 0.60                                       !LysC
 388 0.70 4.03 0.088 -0.517 -0.918 -0.143
 389 0.49 14.47 3.37 2.15 1.94 2.58 0.696 0.410
 390 0.000 0.789 2.00 1.00
 391 0.0 0.0 0.0 0.022 2.311
 392 0.0105 0.60                                       !LysT
 393 1.60 3.51 -0.131 0.011 -0.742 -0.034
 394 1.88 3.04 0.13 1.88 1.96 2.61 0.520 0.271
 395 0.0 0.0 0.0 0.0
 396 0.0 0.0 0.0 0.0 0.0
 397 0.0 0.0                                           !ProA
 398 1.60 3.53 -0.001 -0.008 -0.463 -0.115
 399 1.61 2.94 0.04 1.88 2.05 2.72 0.465 0.235
 400 0.0 0.0 0.0 0.0
 401 0.0 0.0 0.0 0.0 0.0
 402 0.0 0.0                                           !ProG
 403 1.20 3.83 -0.027 -0.045 -0.473 0.012
 404 1.32 2.84 0.07 1.91 1.97 2.62 0.547 0.377
 405 0.0 0.0 0.0 0.0
 406 0.0 0.0 0.0 0.0 0.0
 407 0.0 0.0                                           !ProC
 408 1.00 3.80 -0.056 0.114 -0.599 0.409
 409 1.49 2.84 0.05 2.02 1.39 1.85 0.908 0.109
 410 0.0 0.0 0.0 0.0
 411 0.0 0.0 0.0 0.0 0.0
 412 0.0 0.0                                           !ProT
 413 1.00 3.55 -0.042 0.044 -0.979 0.054
 414 1.73 2.97 0.0004 1.94 1.67 2.22 0.745 0.404
 415 0.0 0.0 0.0 0.0
 416 0.0 0.0 0.0 0.0 0.0
 417 0.0 0.0                                            !MetA
 418 1.60 3.47 0.032 0.195 -0.761 -0.020
 419 2.07 3.30 0.03 1.87 1.86 2.47 0.630 0.433
 420 0.0 0.0 0.0 0.0
 421 0.0 0.0 0.0 0.0 0.0
 422 0.0 0.0                                            !MetG
 423 1.20 3.71 0.138 0.090 -0.359 0.578
 424 1.49 2.97 0.06 2.01 1.36 1.81 0.966 0.107
 425 0.0 0.0 0.0 0.0
 426 0.0 0.0 0.0 0.0 0.0
 427 0.0 0.0                                            !MetC
 428 1.52 3.67 0.068 0.049 -0.557 0.316
 429 1.80 3.18 0.002 1.99 1.43 1.90 0.930 0.149
 430 0.0 0.0 0.0 0.0
 431 0.0 0.0 0.0 0.0 0.0
 432 0.0 0.0                                            !MetT
 433 1.27 2.81 0.38 1.98 1.65 2.19 0.771 0.449
 434 0.0 0.0 0.0 0.0
 435 0.0 0.0 0.0 0.0 0.0
 436 0.0 0.0                                            !PheA
 437 2.00 3.59 -0.010 0.088 -0.869 -0.007
 438 2.03 3.27 0.04 1.86 1.97 2.61 0.650 0.187
 439 0.0 0.0 0.0 0.0
 440 0.0 0.0 0.0 0.0 0.0
 441 0.0 0.0                                            !PheG
 442 0.80 3.68 0.196 0.171 -0.278 0.238
 443 0.75 2.60 0.07 2.00 1.70 2.25 0.710 0.640
 444 0.0 0.0 0.0 0.0
 445 0.0 0.0 0.0 0.0 0.0
 446 0.0 0.0                                            !PheC
 447 1.60 3.65 0.220 -0.275 0.053 -0.845
 448 1.51 3.00 0.01 1.95 1.94 2.57 0.380 0.464
 449 0.0 0.0 0.0 0.0
 450 0.0 0.0 0.0 0.0 0.0
 451 0.0 0.0                                            !PheT
 452 1.60 3.25 -0.052 0.025 -0.449 -0.080
 453 1.65 2.99 0.03 1.93 2.00 2.66 0.383 0.166
 454 0.0 0.0 0.0 0.0
 455 0.0 0.0 0.0 0.0 0.0
 456 0.0 0.0                                           !AlaA
 457 1.60 3.28 -0.016 0.077 -0.540 -0.025
 458 1.63 2.93 0.10 1.91 2.01 2.68 0.401 0.301
 459 0.0 0.0 0.0 0.0
 460 0.0 0.0 0.0 0.0 0.0
 461 0.0 0.0                                           !AlaG
 462 1.60 3.50 -0.016 -0.290 -0.427 -0.094
 463 1.71 2.99 0.03 1.88 2.05 2.72 0.402 0.148
 464 0.0 0.0 0.0 0.0
 465 0.0 0.0 0.0 0.0 0.0
 466 0.0 0.0                                           !AlaC
 467 1.60 3.41 0.018 -0.238 -0.393 -0.110
 468 1.63 2.88 0.02 1.93 2.03 2.70 0.390 0.227
 469 0.0 0.0 0.0 0.0
 470 0.0 0.0 0.0 0.0 0.0
 471 0.0 0.0                                           !AlaT
 472 1.60 3.25 -0.052 0.025 -0.449 -0.080
 473 1.65 2.99 0.03 1.93 2.00 2.66 0.383 0.166
 474 0.0 0.0 0.0 0.0
 475 0.0 0.0 0.0 0.0 0.0
 476 0.0 0.0                                           !AlaA
 477 1.60 3.28 -0.016 0.077 -0.540 -0.025
 478 1.63 2.93 0.10 1.91 2.01 2.68 0.401 0.301
 479 0.0 0.0 0.0 0.0
 480 0.0 0.0 0.0 0.0 0.0
 481 0.0 0.0                                           !AlaG
 482 1.60 3.50 -0.016 -0.290 -0.427 -0.094
 483 1.71 2.99 0.03 1.88 2.05 2.72 0.402 0.148
 484 0.0 0.0 0.0 0.0
 485 0.0 0.0 0.0 0.0 0.0
 486 0.0 0.0                                           !AlaC
 487 1.60 3.41 0.018 -0.238 -0.393 -0.110
 488 1.63 2.88 0.02 1.93 2.03 2.70 0.390 0.227
 489 0.0 0.0 0.0 0.0
 490 0.0 0.0 0.0 0.0 0.0
 491 0.0 0.0                                           !AlaT
 492
 493