REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2vtw_1_B DATA FIRST_RESID 206 DATA SEQUENCE TSSVAAFTSG TIGLSSPTGN FVSSSNNPFN GSYFLQQINT MGMLTTSLYV DATA SEQUENCE KVDTTTMGTR PTGAVNENAR YFTVWVSSFL TQCNPSNIGQ GTLEPSNISM DATA SEQUENCE TSFEPARNPI SPPVFNMNQN IPYYASRFGV LESYRPIFTG SLNTGSIDVR DATA SEQUENCE MQVTPVLATN NTTYNLIAFT FQCASAGLFN PTVNGTVAIG PVVHTCPAAR DATA SEQUENCE APVTV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 206 T HA 0.000 nan 4.350 nan 0.000 0.228 206 T C 0.000 174.699 174.700 -0.001 0.000 1.109 206 T CA 0.000 62.100 62.100 -0.001 0.000 1.349 206 T CB 0.000 68.864 68.868 -0.007 0.000 0.612 207 S N 1.546 117.247 115.700 0.003 0.000 2.552 207 S HA 0.181 4.651 4.470 -0.000 0.000 0.289 207 S C 1.524 176.121 174.600 -0.005 0.000 1.304 207 S CA 0.278 58.481 58.200 0.006 0.000 1.063 207 S CB 0.286 63.497 63.200 0.017 0.000 0.848 207 S HN 0.863 nan 8.310 nan 0.000 0.499 208 S N 3.099 118.797 115.700 -0.004 0.000 2.593 208 S HA 0.196 4.666 4.470 -0.000 0.000 0.217 208 S C 0.181 174.776 174.600 -0.009 0.000 0.966 208 S CA -0.382 57.811 58.200 -0.012 0.000 0.914 208 S CB -0.079 63.116 63.200 -0.009 0.000 0.776 208 S HN 0.446 nan 8.310 nan 0.000 0.523 209 V N 1.451 121.369 119.914 0.007 0.000 2.495 209 V HA 0.865 4.985 4.120 -0.000 0.000 0.298 209 V C -0.022 176.100 176.094 0.047 0.000 1.031 209 V CA -0.473 61.842 62.300 0.026 0.000 0.871 209 V CB 1.121 32.966 31.823 0.038 0.000 0.988 209 V HN 0.509 nan 8.190 nan 0.000 0.432 210 A N 3.375 126.242 122.820 0.078 0.000 2.515 210 A HA 1.030 5.349 4.320 -0.000 0.000 0.296 210 A C -0.619 177.183 177.584 0.363 0.000 1.094 210 A CA -0.294 51.846 52.037 0.172 0.000 0.718 210 A CB 2.031 21.087 19.000 0.093 0.000 1.307 210 A HN 1.498 nan 8.150 nan 0.000 0.408 211 A N 0.350 123.407 122.820 0.395 0.000 2.401 211 A HA 0.845 5.165 4.320 -0.000 0.000 0.310 211 A C -1.478 176.185 177.584 0.131 0.000 1.075 211 A CA -0.404 51.799 52.037 0.277 0.000 0.746 211 A CB 1.110 20.180 19.000 0.117 0.000 1.277 211 A HN 1.701 nan 8.150 nan 0.000 0.425 212 F N 1.026 120.695 119.950 -0.469 0.000 2.556 212 F HA 0.728 5.255 4.527 -0.000 0.000 0.314 212 F C -0.528 175.054 175.800 -0.363 0.000 1.106 212 F CA -0.320 57.310 58.000 -0.617 0.000 0.911 212 F CB 2.374 40.583 39.000 -1.318 0.000 1.190 212 F HN 0.470 nan 8.300 nan 0.000 0.448 213 T N 4.027 118.016 114.554 -0.941 0.000 2.881 213 T HA 0.608 4.958 4.350 -0.000 0.000 0.290 213 T C -1.189 172.942 174.700 -0.949 0.000 1.000 213 T CA -0.687 60.927 62.100 -0.810 0.000 0.978 213 T CB 1.538 70.175 68.868 -0.384 0.000 0.997 213 T HN 0.629 nan 8.240 nan 0.000 0.443 214 S N 1.644 116.924 115.700 -0.700 0.000 2.588 214 S HA 0.879 5.349 4.470 -0.000 0.000 0.275 214 S C 0.192 174.772 174.600 -0.035 0.000 1.130 214 S CA 0.618 58.642 58.200 -0.293 0.000 0.855 214 S CB 1.203 64.304 63.200 -0.166 0.000 1.116 214 S HN 1.564 nan 8.310 nan 0.000 0.472 215 G N 1.403 110.145 108.800 -0.096 0.000 2.568 215 G HA2 0.053 4.013 3.960 -0.000 0.000 0.222 215 G HA3 0.053 4.013 3.960 -0.000 0.000 0.222 215 G C -0.251 174.581 174.900 -0.114 0.000 1.321 215 G CA 0.159 44.969 45.100 -0.483 0.000 0.893 215 G HN 2.013 nan 8.290 nan 0.000 0.569 216 T N -2.974 111.453 114.554 -0.212 0.000 2.916 216 T HA 0.572 4.921 4.350 -0.000 0.000 0.298 216 T C 0.998 175.253 174.700 -0.741 0.000 1.031 216 T CA 0.351 62.230 62.100 -0.369 0.000 0.993 216 T CB 1.886 70.590 68.868 -0.274 0.000 1.045 216 T HN 1.635 nan 8.240 nan 0.000 0.454 217 I N 2.863 122.744 120.570 -1.148 0.000 2.614 217 I HA 0.164 4.334 4.170 -0.000 0.000 0.258 217 I C 2.190 177.962 176.117 -0.573 0.000 1.189 217 I CA 1.475 62.077 61.300 -1.163 0.000 1.462 217 I CB -0.690 36.750 38.000 -0.933 0.000 1.092 217 I HN 0.957 nan 8.210 nan 0.000 0.442 218 G N 0.043 108.595 108.800 -0.412 0.000 2.509 218 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.218 218 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.218 218 G C 1.133 175.908 174.900 -0.209 0.000 1.124 218 G CA 0.302 45.245 45.100 -0.262 0.000 0.776 218 G HN 0.473 nan 8.290 nan 0.000 0.547 219 L N 0.144 121.235 121.223 -0.220 0.000 3.742 219 L HA -0.184 4.156 4.340 -0.000 0.000 0.431 219 L C 0.857 177.672 176.870 -0.093 0.000 1.220 219 L CA 0.374 55.136 54.840 -0.131 0.000 0.863 219 L CB -1.678 40.324 42.059 -0.095 0.000 1.751 219 L HN 0.246 nan 8.230 nan 0.000 0.922 220 S N -0.975 114.661 115.700 -0.107 0.000 2.901 220 S HA 0.306 4.776 4.470 -0.000 0.000 0.248 220 S C 0.169 174.724 174.600 -0.075 0.000 1.021 220 S CA -0.084 58.069 58.200 -0.077 0.000 1.090 220 S CB 0.550 63.706 63.200 -0.073 0.000 1.039 220 S HN 0.302 nan 8.310 nan 0.000 0.514 221 S N 4.030 119.680 115.700 -0.084 0.000 2.399 221 S HA 0.335 4.805 4.470 -0.000 0.000 0.215 221 S C -2.733 171.831 174.600 -0.061 0.000 1.456 221 S CA -0.828 57.328 58.200 -0.074 0.000 1.199 221 S CB 1.339 64.485 63.200 -0.090 0.000 1.063 221 S HN 0.257 nan 8.310 nan 0.000 0.476 222 P HA 0.118 nan 4.420 nan 0.000 0.226 222 P C 0.951 178.196 177.300 -0.092 0.000 1.783 222 P CA -0.132 62.925 63.100 -0.071 0.000 0.980 222 P CB -0.731 30.930 31.700 -0.064 0.000 1.967 223 T N -3.066 111.465 114.554 -0.037 0.000 3.088 223 T HA 0.087 4.437 4.350 -0.000 0.000 0.259 223 T C 1.160 175.835 174.700 -0.042 0.000 1.122 223 T CA 0.063 62.158 62.100 -0.008 0.000 1.095 223 T CB -0.411 68.498 68.868 0.068 0.000 0.930 223 T HN 0.201 nan 8.240 nan 0.000 0.508 224 G N 1.691 110.407 108.800 -0.140 0.000 2.365 224 G HA2 0.311 4.270 3.960 -0.000 0.000 0.249 224 G HA3 0.311 4.270 3.960 -0.000 0.000 0.249 224 G C -0.449 173.984 174.900 -0.778 0.000 1.288 224 G CA -0.692 44.131 45.100 -0.461 0.000 0.887 224 G HN 0.453 nan 8.290 nan 0.000 0.524 225 N N 1.682 120.169 118.700 -0.354 0.000 2.589 225 N HA 0.410 5.150 4.740 -0.000 0.000 0.232 225 N C -0.832 174.697 175.510 0.031 0.000 1.015 225 N CA -0.502 52.416 53.050 -0.220 0.000 0.931 225 N CB 0.161 38.633 38.487 -0.026 0.000 1.150 225 N HN 0.154 nan 8.380 nan 0.000 0.512 226 F N 1.603 121.317 119.950 -0.393 0.000 2.497 226 F HA 0.638 5.165 4.527 -0.000 0.000 0.331 226 F C 0.197 175.772 175.800 -0.375 0.000 1.060 226 F CA -1.451 56.301 58.000 -0.414 0.000 0.989 226 F CB 1.038 39.630 39.000 -0.680 0.000 1.245 226 F HN -0.061 nan 8.300 nan 0.000 0.486 227 V N 0.473 120.589 119.914 0.337 0.000 2.733 227 V HA 0.423 4.543 4.120 -0.000 0.000 0.306 227 V C -0.331 176.122 176.094 0.597 0.000 1.084 227 V CA -1.160 61.417 62.300 0.463 0.000 0.905 227 V CB 1.575 33.650 31.823 0.420 0.000 1.010 227 V HN 0.882 nan 8.190 nan 0.000 0.424 228 S N 2.445 118.314 115.700 0.282 0.000 2.614 228 S HA 0.189 4.659 4.470 -0.000 0.000 0.265 228 S C 1.426 175.744 174.600 -0.469 0.000 1.303 228 S CA 0.235 58.301 58.200 -0.223 0.000 1.000 228 S CB 1.340 63.835 63.200 -1.176 0.000 0.935 228 S HN 1.339 nan 8.310 nan 0.000 0.551 229 S N 0.753 115.962 115.700 -0.818 0.000 2.500 229 S HA -0.048 4.422 4.470 -0.000 0.000 0.239 229 S C 1.172 175.342 174.600 -0.716 0.000 0.989 229 S CA 0.702 58.011 58.200 -1.484 0.000 0.951 229 S CB -0.727 61.958 63.200 -0.858 0.000 0.759 229 S HN 0.625 nan 8.310 nan 0.000 0.523 230 S N 2.338 117.774 115.700 -0.440 0.000 2.660 230 S HA 0.272 4.741 4.470 -0.000 0.000 0.227 230 S C 0.242 174.767 174.600 -0.125 0.000 0.948 230 S CA -0.416 57.645 58.200 -0.232 0.000 0.948 230 S CB -0.495 62.592 63.200 -0.189 0.000 0.779 230 S HN 0.598 nan 8.310 nan 0.000 0.487 231 N N 1.772 120.417 118.700 -0.091 0.000 2.741 231 N HA -0.157 4.583 4.740 -0.000 0.000 0.250 231 N C -1.218 174.334 175.510 0.072 0.000 1.115 231 N CA 0.497 53.591 53.050 0.074 0.000 0.724 231 N CB -1.672 36.882 38.487 0.112 0.000 1.090 231 N HN 0.568 nan 8.380 nan 0.000 0.558 232 N N 1.168 119.881 118.700 0.022 0.000 2.457 232 N HA 0.342 5.081 4.740 -0.000 0.000 0.250 232 N C -2.678 172.952 175.510 0.200 0.000 0.982 232 N CA -1.157 51.937 53.050 0.073 0.000 0.941 232 N CB 1.226 39.719 38.487 0.010 0.000 1.120 232 N HN 0.013 nan 8.380 nan 0.000 0.505 233 P HA 0.158 nan 4.420 nan 0.000 0.272 233 P C -1.115 176.369 177.300 0.307 0.000 1.223 233 P CA -0.066 63.163 63.100 0.215 0.000 0.784 233 P CB 0.415 32.193 31.700 0.129 0.000 0.923 234 F N -1.326 118.677 119.950 0.088 0.000 2.713 234 F HA 0.531 5.058 4.527 -0.000 0.000 0.311 234 F C -1.263 174.498 175.800 -0.065 0.000 1.141 234 F CA -1.287 56.739 58.000 0.044 0.000 0.939 234 F CB 1.115 40.184 39.000 0.116 0.000 1.325 234 F HN 0.093 nan 8.300 nan 0.000 0.453 235 N N -0.023 118.668 118.700 -0.015 0.000 2.438 235 N HA 0.659 5.398 4.740 -0.000 0.000 0.282 235 N C -0.520 174.859 175.510 -0.219 0.000 1.037 235 N CA -0.586 52.328 53.050 -0.226 0.000 0.942 235 N CB 1.881 40.307 38.487 -0.103 0.000 1.136 235 N HN 1.036 nan 8.380 nan 0.000 0.481 236 G N -0.004 108.444 108.800 -0.586 0.000 2.619 236 G HA2 0.494 4.453 3.960 -0.000 0.000 0.296 236 G HA3 0.494 4.453 3.960 -0.000 0.000 0.296 236 G C -1.042 173.757 174.900 -0.168 0.000 1.334 236 G CA -0.469 44.435 45.100 -0.326 0.000 0.934 236 G HN 0.429 nan 8.290 nan 0.000 0.476 237 S N -0.669 115.085 115.700 0.090 0.000 2.617 237 S HA 0.793 5.263 4.470 -0.000 0.000 0.283 237 S C -0.972 173.829 174.600 0.334 0.000 1.189 237 S CA -0.359 57.916 58.200 0.126 0.000 1.036 237 S CB 0.990 64.203 63.200 0.022 0.000 1.014 237 S HN 0.779 nan 8.310 nan 0.000 0.522 238 Y N -0.294 120.116 120.300 0.184 0.000 2.638 238 Y HA 0.812 5.362 4.550 -0.000 0.000 0.335 238 Y C -1.912 174.149 175.900 0.267 0.000 1.155 238 Y CA -1.628 56.611 58.100 0.231 0.000 1.046 238 Y CB 0.967 39.586 38.460 0.265 0.000 1.303 238 Y HN 0.469 nan 8.280 nan 0.000 0.460 239 F N 3.602 123.610 119.950 0.097 0.000 2.562 239 F HA 0.671 5.198 4.527 -0.000 0.000 0.319 239 F C -2.225 173.696 175.800 0.202 0.000 1.154 239 F CA -1.637 56.370 58.000 0.012 0.000 0.931 239 F CB 1.902 40.880 39.000 -0.037 0.000 1.198 239 F HN 0.669 nan 8.300 nan 0.000 0.444 240 L N 6.144 127.258 121.223 -0.182 0.000 2.319 240 L HA 0.574 4.914 4.340 -0.000 0.000 0.281 240 L C -1.386 175.186 176.870 -0.497 0.000 1.005 240 L CA -0.053 54.682 54.840 -0.174 0.000 0.828 240 L CB 1.665 43.748 42.059 0.041 0.000 1.227 240 L HN 0.665 nan 8.230 nan 0.000 0.415 241 Q N 4.695 124.270 119.800 -0.376 0.000 2.310 241 Q HA 0.552 4.892 4.340 -0.000 0.000 0.270 241 Q C -1.321 174.596 176.000 -0.139 0.000 1.025 241 Q CA -0.494 55.108 55.803 -0.335 0.000 0.772 241 Q CB 2.343 30.890 28.738 -0.318 0.000 1.253 241 Q HN 0.616 nan 8.270 nan 0.000 0.450 242 Q N 2.210 121.943 119.800 -0.111 0.000 2.377 242 Q HA 0.720 5.060 4.340 -0.000 0.000 0.271 242 Q C -0.819 175.253 176.000 0.120 0.000 1.077 242 Q CA -0.865 54.958 55.803 0.033 0.000 0.820 242 Q CB 2.771 31.559 28.738 0.084 0.000 1.347 242 Q HN 0.658 nan 8.270 nan 0.000 0.444 243 I N -1.242 119.461 120.570 0.222 0.000 2.647 243 I HA 0.595 4.765 4.170 -0.000 0.000 0.295 243 I C -1.154 175.130 176.117 0.278 0.000 1.078 243 I CA -0.940 60.524 61.300 0.273 0.000 1.048 243 I CB 2.085 40.171 38.000 0.142 0.000 1.239 243 I HN 0.364 nan 8.210 nan 0.000 0.421 244 N N 3.679 122.519 118.700 0.234 0.000 2.469 244 N HA 0.391 5.131 4.740 -0.000 0.000 0.253 244 N C -1.278 174.243 175.510 0.019 0.000 0.970 244 N CA -0.261 52.811 53.050 0.036 0.000 0.940 244 N CB 1.590 39.954 38.487 -0.205 0.000 1.128 244 N HN 0.750 nan 8.380 nan 0.000 0.503 245 T N 4.537 119.102 114.554 0.018 0.000 2.853 245 T HA 0.232 4.581 4.350 -0.000 0.000 0.317 245 T C 0.921 175.615 174.700 -0.009 0.000 1.059 245 T CA -0.410 61.695 62.100 0.009 0.000 0.954 245 T CB -0.102 68.776 68.868 0.017 0.000 0.994 245 T HN 0.696 nan 8.240 nan 0.000 0.479 246 M N 2.665 122.253 119.600 -0.019 0.000 2.210 246 M HA -0.286 4.194 4.480 -0.000 0.000 0.198 246 M C 0.937 177.220 176.300 -0.028 0.000 0.319 246 M CA 1.496 56.782 55.300 -0.024 0.000 0.399 246 M CB -1.411 31.180 32.600 -0.014 0.000 1.227 246 M HN 1.144 nan 8.290 nan 0.000 0.931 247 G N -0.153 108.622 108.800 -0.041 0.000 2.157 247 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.239 247 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.239 247 G C -0.349 174.536 174.900 -0.025 0.000 0.982 247 G CA 0.305 45.381 45.100 -0.038 0.000 0.650 247 G HN 0.617 nan 8.290 nan 0.000 0.527 248 M N 0.683 120.272 119.600 -0.017 0.000 2.227 248 M HA 0.817 5.297 4.480 -0.000 0.000 0.335 248 M C -0.620 175.685 176.300 0.009 0.000 1.053 248 M CA -1.438 53.856 55.300 -0.009 0.000 0.973 248 M CB 1.435 34.028 32.600 -0.011 0.000 1.623 248 M HN 0.230 nan 8.290 nan 0.000 0.434 249 L N 5.005 126.240 121.223 0.020 0.000 2.272 249 L HA 0.648 4.988 4.340 -0.000 0.000 0.289 249 L C -0.906 176.001 176.870 0.061 0.000 1.032 249 L CA 0.466 55.351 54.840 0.074 0.000 0.810 249 L CB 1.391 43.517 42.059 0.110 0.000 1.205 249 L HN 0.776 nan 8.230 nan 0.000 0.422 250 T N 3.297 117.907 114.554 0.092 0.000 2.779 250 T HA 0.531 4.881 4.350 -0.000 0.000 0.280 250 T C -0.393 174.382 174.700 0.124 0.000 0.987 250 T CA -0.363 61.783 62.100 0.076 0.000 0.966 250 T CB 1.033 69.933 68.868 0.053 0.000 0.933 250 T HN 0.616 nan 8.240 nan 0.000 0.442 251 T N 2.425 117.071 114.554 0.153 0.000 2.809 251 T HA 0.467 4.817 4.350 -0.000 0.000 0.284 251 T C -0.246 174.517 174.700 0.104 0.000 0.992 251 T CA -0.548 61.651 62.100 0.164 0.000 0.957 251 T CB 1.407 70.455 68.868 0.300 0.000 0.942 251 T HN 0.474 nan 8.240 nan 0.000 0.439 252 S N 3.250 118.957 115.700 0.011 0.000 2.433 252 S HA 0.685 5.155 4.470 -0.000 0.000 0.310 252 S C -0.901 173.624 174.600 -0.126 0.000 1.097 252 S CA -0.738 57.425 58.200 -0.062 0.000 1.103 252 S CB 0.175 63.341 63.200 -0.057 0.000 0.992 252 S HN 0.543 nan 8.310 nan 0.000 0.469 253 L N 6.399 127.497 121.223 -0.209 0.000 2.381 253 L HA 0.618 4.958 4.340 -0.000 0.000 0.274 253 L C -1.922 174.821 176.870 -0.212 0.000 0.988 253 L CA -0.432 54.289 54.840 -0.198 0.000 0.824 253 L CB 1.226 43.041 42.059 -0.407 0.000 1.263 253 L HN 0.698 nan 8.230 nan 0.000 0.410 254 Y N 3.803 124.125 120.300 0.036 0.000 2.387 254 Y HA 0.728 5.278 4.550 -0.000 0.000 0.336 254 Y C -0.171 175.785 175.900 0.093 0.000 1.067 254 Y CA -0.656 57.483 58.100 0.066 0.000 1.114 254 Y CB 2.093 40.623 38.460 0.117 0.000 1.208 254 Y HN 0.313 nan 8.280 nan 0.000 0.458 255 V N 3.459 123.495 119.914 0.204 0.000 2.656 255 V HA 0.503 4.623 4.120 -0.000 0.000 0.307 255 V C -0.855 175.325 176.094 0.142 0.000 1.051 255 V CA -1.220 61.169 62.300 0.147 0.000 0.893 255 V CB 2.080 33.827 31.823 -0.127 0.000 0.999 255 V HN 0.678 nan 8.190 nan 0.000 0.426 256 K N 2.988 123.487 120.400 0.165 0.000 2.468 256 K HA 0.822 5.142 4.320 -0.000 0.000 0.252 256 K C -1.955 174.710 176.600 0.108 0.000 0.932 256 K CA -0.480 55.870 56.287 0.106 0.000 0.794 256 K CB 2.319 34.857 32.500 0.063 0.000 1.241 256 K HN 0.452 nan 8.250 nan 0.000 0.428 257 V N 2.802 122.753 119.914 0.062 0.000 2.588 257 V HA 0.330 4.449 4.120 -0.000 0.000 0.304 257 V C -1.047 175.044 176.094 -0.005 0.000 1.042 257 V CA -0.848 61.473 62.300 0.036 0.000 0.877 257 V CB 1.677 33.483 31.823 -0.027 0.000 0.996 257 V HN 0.805 nan 8.190 nan 0.000 0.425 258 D N 2.761 123.157 120.400 -0.007 0.000 2.381 258 D HA 0.244 4.884 4.640 -0.000 0.000 0.235 258 D C 1.326 177.603 176.300 -0.037 0.000 1.068 258 D CA 0.084 54.072 54.000 -0.021 0.000 0.832 258 D CB 2.351 43.143 40.800 -0.013 0.000 1.101 258 D HN 0.710 nan 8.370 nan 0.000 0.515 259 T N -0.035 114.482 114.554 -0.061 0.000 2.849 259 T HA -0.215 4.134 4.350 -0.000 0.000 0.270 259 T C 1.627 176.301 174.700 -0.042 0.000 1.066 259 T CA 1.926 63.981 62.100 -0.076 0.000 1.130 259 T CB -0.503 68.309 68.868 -0.093 0.000 0.864 259 T HN 0.447 nan 8.240 nan 0.000 0.481 260 T N -0.245 114.291 114.554 -0.030 0.000 3.085 260 T HA 0.029 4.379 4.350 -0.000 0.000 0.263 260 T C 1.844 176.536 174.700 -0.012 0.000 1.127 260 T CA 1.109 63.196 62.100 -0.020 0.000 1.103 260 T CB -0.571 68.285 68.868 -0.019 0.000 0.921 260 T HN 0.650 nan 8.240 nan 0.000 0.510 261 T N -0.800 113.749 114.554 -0.010 0.000 3.040 261 T HA 0.298 4.648 4.350 -0.000 0.000 0.266 261 T C 1.763 176.470 174.700 0.012 0.000 1.005 261 T CA 0.043 62.140 62.100 -0.004 0.000 0.906 261 T CB -0.277 68.584 68.868 -0.012 0.000 1.082 261 T HN 0.513 nan 8.240 nan 0.000 0.531 262 M N 0.851 120.469 119.600 0.029 0.000 2.492 262 M HA 0.450 4.929 4.480 -0.000 0.000 0.262 262 M C 1.140 177.509 176.300 0.115 0.000 1.090 262 M CA 0.957 56.314 55.300 0.095 0.000 1.110 262 M CB -0.579 32.081 32.600 0.101 0.000 1.407 262 M HN 0.381 nan 8.290 nan 0.000 0.470 263 G N 0.675 109.513 108.800 0.063 0.000 2.661 263 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.685 263 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.685 263 G C -0.753 174.181 174.900 0.057 0.000 1.298 263 G CA -0.507 44.632 45.100 0.063 0.000 0.855 263 G HN 0.337 nan 8.290 nan 0.000 0.560 264 T N 1.364 115.948 114.554 0.050 0.000 2.928 264 T HA 0.400 4.750 4.350 -0.000 0.000 0.305 264 T C 0.918 175.652 174.700 0.055 0.000 1.035 264 T CA 0.408 62.532 62.100 0.040 0.000 1.145 264 T CB 0.321 69.210 68.868 0.033 0.000 0.963 264 T HN 0.579 nan 8.240 nan 0.000 0.545 265 R N 4.064 124.589 120.500 0.042 0.000 2.246 265 R HA 0.305 4.645 4.340 -0.000 0.000 0.332 265 R C -2.281 174.043 176.300 0.040 0.000 0.974 265 R CA -1.825 54.308 56.100 0.055 0.000 0.837 265 R CB 0.973 31.298 30.300 0.042 0.000 1.145 265 R HN 0.461 nan 8.270 nan 0.000 0.467 266 P HA -0.016 nan 4.420 nan 0.000 0.270 266 P C -0.011 177.302 177.300 0.022 0.000 1.223 266 P CA -0.228 62.888 63.100 0.027 0.000 0.785 266 P CB 0.664 32.378 31.700 0.024 0.000 0.923 267 T N -2.440 112.122 114.554 0.014 0.000 2.824 267 T HA 0.613 4.963 4.350 -0.000 0.000 0.277 267 T C 0.400 175.104 174.700 0.007 0.000 0.975 267 T CA 0.075 62.181 62.100 0.010 0.000 0.966 267 T CB 0.277 69.148 68.868 0.006 0.000 1.054 267 T HN 0.857 nan 8.240 nan 0.000 0.533 268 G N -0.900 107.902 108.800 0.004 0.000 2.742 268 G HA2 0.426 4.386 3.960 -0.000 0.000 0.686 268 G HA3 0.426 4.386 3.960 -0.000 0.000 0.686 268 G C 0.527 175.427 174.900 -0.001 0.000 1.220 268 G CA -0.248 44.853 45.100 0.001 0.000 0.783 268 G HN 1.290 nan 8.290 nan 0.000 0.646 269 A N 1.260 124.078 122.820 -0.004 0.000 1.908 269 A HA 0.105 4.425 4.320 -0.000 0.000 0.218 269 A C 2.737 180.314 177.584 -0.012 0.000 1.181 269 A CA 3.346 55.379 52.037 -0.006 0.000 0.627 269 A CB -0.546 18.449 19.000 -0.008 0.000 0.818 269 A HN 2.138 nan 8.150 nan 0.000 0.445 270 V N 0.713 120.617 119.914 -0.017 0.000 2.343 270 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 270 V C 2.085 178.155 176.094 -0.039 0.000 1.051 270 V CA 2.670 64.951 62.300 -0.030 0.000 1.036 270 V CB -0.778 31.027 31.823 -0.029 0.000 0.654 270 V HN 0.621 nan 8.190 nan 0.000 0.451 271 N N 0.166 118.851 118.700 -0.025 0.000 2.135 271 N HA -0.118 4.621 4.740 -0.000 0.000 0.186 271 N C 1.785 177.302 175.510 0.011 0.000 1.027 271 N CA 1.906 54.941 53.050 -0.025 0.000 0.849 271 N CB -0.305 38.179 38.487 -0.006 0.000 1.002 271 N HN 0.656 nan 8.380 nan 0.000 0.425 272 E N 0.468 120.686 120.200 0.030 0.000 2.216 272 E HA 0.026 4.376 4.350 -0.000 0.000 0.192 272 E C 0.678 177.318 176.600 0.066 0.000 0.988 272 E CA 0.409 56.844 56.400 0.058 0.000 0.834 272 E CB -0.002 29.714 29.700 0.027 0.000 0.772 272 E HN 0.303 nan 8.360 nan 0.000 0.479 273 N N 0.875 119.596 118.700 0.035 0.000 2.412 273 N HA 0.047 4.787 4.740 -0.000 0.000 0.184 273 N C -0.006 175.530 175.510 0.044 0.000 1.101 273 N CA 0.191 53.259 53.050 0.029 0.000 0.881 273 N CB 0.141 38.629 38.487 0.001 0.000 0.969 273 N HN 0.029 nan 8.380 nan 0.000 0.459 274 A N 0.915 123.767 122.820 0.053 0.000 2.567 274 A HA 0.047 4.367 4.320 -0.000 0.000 0.240 274 A C 1.121 178.849 177.584 0.240 0.000 1.053 274 A CA 0.239 52.301 52.037 0.042 0.000 0.755 274 A CB 0.237 19.162 19.000 -0.126 0.000 0.978 274 A HN 0.244 nan 8.150 nan 0.000 0.507 275 R N 0.823 121.445 120.500 0.204 0.000 2.404 275 R HA 0.130 4.470 4.340 -0.000 0.000 0.237 275 R C -0.875 175.782 176.300 0.595 0.000 0.907 275 R CA 0.176 56.496 56.100 0.367 0.000 1.063 275 R CB 0.435 30.911 30.300 0.293 0.000 1.134 275 R HN 0.748 nan 8.270 nan 0.000 0.529 276 Y N 0.488 120.918 120.300 0.217 0.000 2.446 276 Y HA 0.412 4.962 4.550 -0.000 0.000 0.338 276 Y C -0.183 175.936 175.900 0.365 0.000 1.055 276 Y CA -2.346 55.881 58.100 0.212 0.000 1.101 276 Y CB 1.175 39.711 38.460 0.127 0.000 1.221 276 Y HN -0.114 nan 8.280 nan 0.000 0.460 277 F N -1.741 118.510 119.950 0.502 0.000 2.645 277 F HA 0.827 5.354 4.527 -0.000 0.000 0.310 277 F C -1.117 174.975 175.800 0.487 0.000 1.102 277 F CA -0.990 57.333 58.000 0.538 0.000 0.952 277 F CB 1.559 40.986 39.000 0.711 0.000 1.326 277 F HN 0.235 nan 8.300 nan 0.000 0.456 278 T N 2.185 117.081 114.554 0.570 0.000 2.841 278 T HA 0.679 5.029 4.350 -0.000 0.000 0.283 278 T C -1.171 173.611 174.700 0.137 0.000 1.000 278 T CA -0.642 61.571 62.100 0.188 0.000 0.977 278 T CB 1.864 70.695 68.868 -0.062 0.000 0.979 278 T HN 0.596 nan 8.240 nan 0.000 0.446 279 V N 2.828 122.704 119.914 -0.063 0.000 2.540 279 V HA 0.478 4.598 4.120 -0.000 0.000 0.302 279 V C -1.192 174.811 176.094 -0.152 0.000 1.035 279 V CA -1.046 61.118 62.300 -0.226 0.000 0.873 279 V CB 1.705 33.238 31.823 -0.483 0.000 0.992 279 V HN 0.882 nan 8.190 nan 0.000 0.428 280 W N 3.307 124.624 121.300 0.028 0.000 2.376 280 W HA 0.651 5.310 4.660 -0.000 0.000 0.312 280 W C -0.386 176.173 176.519 0.067 0.000 1.060 280 W CA -0.587 56.802 57.345 0.072 0.000 1.221 280 W CB 1.810 31.312 29.460 0.070 0.000 1.281 280 W HN 0.304 nan 8.180 nan 0.000 0.456 281 V N 3.775 123.896 119.914 0.346 0.000 2.407 281 V HA 0.457 4.577 4.120 -0.000 0.000 0.278 281 V C 0.008 176.272 176.094 0.284 0.000 1.037 281 V CA -0.482 61.968 62.300 0.249 0.000 0.900 281 V CB 1.208 33.186 31.823 0.258 0.000 0.983 281 V HN 0.489 nan 8.190 nan 0.000 0.459 282 S N 2.579 118.403 115.700 0.207 0.000 2.526 282 S HA 0.457 4.927 4.470 -0.000 0.000 0.293 282 S C 0.752 175.388 174.600 0.059 0.000 1.092 282 S CA 0.016 58.322 58.200 0.177 0.000 0.980 282 S CB 1.986 65.280 63.200 0.157 0.000 1.048 282 S HN 0.911 nan 8.310 nan 0.000 0.483 283 S N 2.596 118.256 115.700 -0.067 0.000 2.540 283 S HA 0.329 4.799 4.470 -0.000 0.000 0.218 283 S C -0.252 174.058 174.600 -0.483 0.000 0.977 283 S CA -0.229 57.779 58.200 -0.321 0.000 0.918 283 S CB -0.386 62.571 63.200 -0.405 0.000 0.806 283 S HN 0.533 nan 8.310 nan 0.000 0.496 284 F N 2.354 122.269 119.950 -0.058 0.000 2.366 284 F HA 0.524 5.051 4.527 -0.000 0.000 0.328 284 F C 0.951 176.674 175.800 -0.129 0.000 1.180 284 F CA -1.008 56.917 58.000 -0.125 0.000 1.232 284 F CB 0.363 39.190 39.000 -0.290 0.000 1.513 284 F HN 0.032 nan 8.300 nan 0.000 0.540 285 L N 0.161 121.396 121.223 0.020 0.000 2.201 285 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 285 L C 2.332 179.214 176.870 0.021 0.000 1.105 285 L CA 1.733 56.589 54.840 0.026 0.000 0.775 285 L CB -0.531 41.546 42.059 0.030 0.000 0.913 285 L HN 0.591 nan 8.230 nan 0.000 0.440 286 T N -5.583 108.979 114.554 0.013 0.000 3.034 286 T HA 0.007 4.357 4.350 -0.000 0.000 0.248 286 T C 1.798 176.470 174.700 -0.047 0.000 1.040 286 T CA -0.119 61.979 62.100 -0.003 0.000 1.107 286 T CB 0.179 69.054 68.868 0.012 0.000 0.932 286 T HN 0.051 nan 8.240 nan 0.000 0.474 287 Q N 0.073 119.817 119.800 -0.093 0.000 2.302 287 Q HA 0.300 4.640 4.340 -0.000 0.000 0.202 287 Q C 0.595 176.344 176.000 -0.418 0.000 0.936 287 Q CA 0.358 56.026 55.803 -0.225 0.000 0.886 287 Q CB 0.165 28.738 28.738 -0.275 0.000 0.986 287 Q HN 0.572 nan 8.270 nan 0.000 0.487 288 C N 1.814 120.851 119.300 -0.438 0.000 3.309 288 C HA 0.443 4.902 4.460 -0.000 0.000 0.335 288 C C -1.075 173.810 174.990 -0.176 0.000 1.018 288 C CA -0.687 58.076 59.018 -0.425 0.000 1.326 288 C CB -0.678 26.570 27.740 -0.821 0.000 1.752 288 C HN 0.233 nan 8.230 nan 0.000 0.567 289 N N 4.485 123.123 118.700 -0.103 0.000 2.711 289 N HA 0.351 5.090 4.740 -0.000 0.000 0.263 289 N C -1.587 173.930 175.510 0.012 0.000 1.667 289 N CA -1.295 51.749 53.050 -0.009 0.000 0.785 289 N CB 1.117 39.613 38.487 0.015 0.000 1.231 289 N HN 0.341 nan 8.380 nan 0.000 0.503 290 P HA -0.064 nan 4.420 nan 0.000 0.216 290 P C 0.606 178.002 177.300 0.160 0.000 1.150 290 P CA 1.190 64.316 63.100 0.042 0.000 0.843 290 P CB 0.368 32.023 31.700 -0.076 0.000 0.787 291 S N -1.685 114.152 115.700 0.227 0.000 2.577 291 S HA 0.081 4.550 4.470 -0.000 0.000 0.219 291 S C 0.486 175.176 174.600 0.151 0.000 0.962 291 S CA -0.081 58.285 58.200 0.276 0.000 0.921 291 S CB -1.049 62.398 63.200 0.412 0.000 0.789 291 S HN 0.174 nan 8.310 nan 0.000 0.497 292 N N 1.777 120.536 118.700 0.099 0.000 2.756 292 N HA -0.153 4.587 4.740 -0.000 0.000 0.248 292 N C -0.704 174.856 175.510 0.084 0.000 1.062 292 N CA 0.154 53.248 53.050 0.073 0.000 0.696 292 N CB -1.714 36.803 38.487 0.051 0.000 0.946 292 N HN 0.214 nan 8.380 nan 0.000 0.548 293 I N 0.599 121.204 120.570 0.058 0.000 2.668 293 I HA 0.152 4.322 4.170 -0.000 0.000 0.285 293 I C 1.913 178.145 176.117 0.193 0.000 1.168 293 I CA 0.498 61.834 61.300 0.060 0.000 1.424 293 I CB -0.328 37.703 38.000 0.051 0.000 1.377 293 I HN 0.364 nan 8.210 nan 0.000 0.560 294 G N 6.182 115.167 108.800 0.307 0.000 2.537 294 G HA2 0.229 4.189 3.960 -0.000 0.000 0.273 294 G HA3 0.229 4.189 3.960 -0.000 0.000 0.273 294 G C -0.001 175.047 174.900 0.246 0.000 1.189 294 G CA -0.522 44.719 45.100 0.235 0.000 0.881 294 G HN 0.578 nan 8.290 nan 0.000 0.535 295 Q N -0.453 119.458 119.800 0.186 0.000 2.349 295 Q HA 0.301 4.641 4.340 -0.000 0.000 0.287 295 Q C 0.595 176.716 176.000 0.201 0.000 1.044 295 Q CA 0.762 56.688 55.803 0.204 0.000 0.918 295 Q CB 1.198 30.014 28.738 0.129 0.000 1.242 295 Q HN 0.658 nan 8.270 nan 0.000 0.405 296 G N 0.946 109.915 108.800 0.281 0.000 3.195 296 G HA2 0.482 4.442 3.960 -0.000 0.000 0.217 296 G HA3 0.482 4.442 3.960 -0.000 0.000 0.217 296 G C -1.093 173.867 174.900 0.099 0.000 1.166 296 G CA -0.367 44.769 45.100 0.059 0.000 0.812 296 G HN 0.447 nan 8.290 nan 0.000 0.617 297 T N 0.872 115.406 114.554 -0.033 0.000 2.797 297 T HA 0.625 4.975 4.350 -0.000 0.000 0.279 297 T C -0.514 174.258 174.700 0.120 0.000 0.991 297 T CA -0.073 62.052 62.100 0.042 0.000 0.979 297 T CB 1.348 70.210 68.868 -0.009 0.000 0.943 297 T HN 0.267 nan 8.240 nan 0.000 0.444 298 L N 3.006 124.330 121.223 0.169 0.000 2.334 298 L HA 0.614 4.954 4.340 -0.000 0.000 0.276 298 L C -0.030 176.928 176.870 0.146 0.000 1.014 298 L CA -0.760 54.205 54.840 0.208 0.000 0.815 298 L CB 1.412 43.597 42.059 0.211 0.000 1.268 298 L HN 0.443 nan 8.230 nan 0.000 0.428 299 E N 3.022 123.322 120.200 0.166 0.000 2.260 299 E HA 0.374 4.723 4.350 -0.000 0.000 0.266 299 E C -2.510 174.174 176.600 0.141 0.000 0.887 299 E CA -1.903 54.572 56.400 0.125 0.000 0.777 299 E CB 2.262 32.019 29.700 0.095 0.000 1.205 299 E HN 0.191 nan 8.360 nan 0.000 0.414 300 P HA -0.040 nan 4.420 nan 0.000 0.269 300 P C 0.993 178.344 177.300 0.085 0.000 1.217 300 P CA 0.184 63.329 63.100 0.076 0.000 0.783 300 P CB 0.580 32.313 31.700 0.056 0.000 0.898 301 S N 0.307 116.048 115.700 0.069 0.000 2.474 301 S HA -0.137 4.333 4.470 -0.000 0.000 0.235 301 S C 1.078 175.718 174.600 0.065 0.000 0.997 301 S CA 0.954 59.196 58.200 0.070 0.000 0.949 301 S CB -1.002 62.231 63.200 0.055 0.000 0.766 301 S HN 0.583 nan 8.310 nan 0.000 0.517 302 N N 0.454 119.187 118.700 0.055 0.000 2.235 302 N HA 0.210 4.950 4.740 -0.000 0.000 0.209 302 N C -0.186 175.350 175.510 0.043 0.000 1.122 302 N CA -0.506 52.570 53.050 0.044 0.000 0.845 302 N CB -0.543 37.963 38.487 0.032 0.000 1.004 302 N HN 0.361 nan 8.380 nan 0.000 0.499 303 I N 1.048 121.656 120.570 0.062 0.000 2.696 303 I HA 0.078 4.248 4.170 -0.000 0.000 0.284 303 I C 0.465 176.617 176.117 0.057 0.000 1.129 303 I CA -0.190 61.144 61.300 0.057 0.000 1.410 303 I CB 1.214 39.271 38.000 0.094 0.000 1.399 303 I HN 0.098 nan 8.210 nan 0.000 0.579 304 S N 5.949 121.656 115.700 0.011 0.000 2.554 304 S HA 0.218 4.688 4.470 -0.000 0.000 0.278 304 S C 1.188 175.783 174.600 -0.009 0.000 1.242 304 S CA -0.714 57.483 58.200 -0.006 0.000 1.051 304 S CB 0.724 63.904 63.200 -0.033 0.000 0.986 304 S HN 0.590 nan 8.310 nan 0.000 0.502 305 M N 3.268 122.855 119.600 -0.022 0.000 2.346 305 M HA -0.073 4.407 4.480 -0.000 0.000 0.263 305 M C 2.267 178.497 176.300 -0.117 0.000 1.064 305 M CA 1.704 56.971 55.300 -0.056 0.000 1.083 305 M CB -2.103 30.386 32.600 -0.187 0.000 1.399 305 M HN 0.941 nan 8.290 nan 0.000 0.435 306 T N -2.802 111.664 114.554 -0.147 0.000 3.007 306 T HA -0.032 4.318 4.350 -0.000 0.000 0.270 306 T C 1.720 176.291 174.700 -0.215 0.000 1.107 306 T CA 1.392 63.386 62.100 -0.177 0.000 1.118 306 T CB -0.444 68.372 68.868 -0.086 0.000 0.889 306 T HN 0.290 nan 8.240 nan 0.000 0.506 307 S N 0.928 116.436 115.700 -0.320 0.000 2.500 307 S HA 0.103 4.572 4.470 -0.000 0.000 0.239 307 S C 0.626 174.690 174.600 -0.893 0.000 0.989 307 S CA 0.615 58.459 58.200 -0.594 0.000 0.951 307 S CB -0.458 62.271 63.200 -0.784 0.000 0.759 307 S HN 0.670 nan 8.310 nan 0.000 0.523 308 F N 1.110 120.987 119.950 -0.122 0.000 2.661 308 F HA 0.340 4.867 4.527 -0.000 0.000 0.306 308 F C 0.755 176.498 175.800 -0.096 0.000 1.094 308 F CA -0.951 56.993 58.000 -0.094 0.000 1.254 308 F CB 0.059 38.983 39.000 -0.127 0.000 1.040 308 F HN 0.088 nan 8.300 nan 0.000 0.562 309 E N 4.580 124.743 120.200 -0.061 0.000 2.324 309 E HA 0.108 4.458 4.350 -0.000 0.000 0.271 309 E C -2.356 174.277 176.600 0.056 0.000 1.028 309 E CA -2.079 54.302 56.400 -0.031 0.000 0.890 309 E CB 0.885 30.549 29.700 -0.060 0.000 1.004 309 E HN -0.061 nan 8.360 nan 0.000 0.431 310 P HA 0.090 nan 4.420 nan 0.000 0.274 310 P C -1.026 176.336 177.300 0.104 0.000 1.231 310 P CA -0.351 62.820 63.100 0.118 0.000 0.790 310 P CB 1.045 32.838 31.700 0.155 0.000 0.951 311 A N 2.928 125.793 122.820 0.074 0.000 2.445 311 A HA 0.111 4.431 4.320 -0.000 0.000 0.242 311 A C 0.705 178.332 177.584 0.072 0.000 1.075 311 A CA -0.345 51.728 52.037 0.060 0.000 0.777 311 A CB -0.274 18.748 19.000 0.037 0.000 1.013 311 A HN 0.611 nan 8.150 nan 0.000 0.493 312 R N 1.420 121.957 120.500 0.062 0.000 2.523 312 R HA -0.093 4.247 4.340 -0.000 0.000 0.281 312 R C -0.221 176.108 176.300 0.048 0.000 0.969 312 R CA 0.086 56.219 56.100 0.055 0.000 1.093 312 R CB 0.137 30.457 30.300 0.034 0.000 0.917 312 R HN 0.782 nan 8.270 nan 0.000 0.408 313 N N 6.075 124.808 118.700 0.055 0.000 2.405 313 N HA 0.048 4.788 4.740 -0.000 0.000 0.260 313 N C -1.765 173.761 175.510 0.028 0.000 1.152 313 N CA -1.883 51.196 53.050 0.048 0.000 0.948 313 N CB 1.242 39.768 38.487 0.065 0.000 1.111 313 N HN 0.453 nan 8.380 nan 0.000 0.485 314 P HA -0.055 nan 4.420 nan 0.000 0.233 314 P C 1.338 178.633 177.300 -0.008 0.000 1.167 314 P CA 0.669 63.771 63.100 0.004 0.000 0.770 314 P CB 0.006 31.707 31.700 0.002 0.000 0.837 315 I N -4.129 116.436 120.570 -0.009 0.000 3.291 315 I HA 0.084 4.254 4.170 -0.000 0.000 0.279 315 I C -0.273 175.807 176.117 -0.061 0.000 1.294 315 I CA 0.083 61.361 61.300 -0.038 0.000 1.428 315 I CB -0.847 37.130 38.000 -0.038 0.000 1.070 315 I HN -0.288 nan 8.210 nan 0.000 0.478 316 S N 2.156 117.841 115.700 -0.025 0.000 3.625 316 S HA -0.077 4.392 4.470 -0.000 0.000 0.426 316 S C -1.806 172.775 174.600 -0.033 0.000 0.884 316 S CA 0.306 58.496 58.200 -0.018 0.000 1.322 316 S CB -1.602 61.583 63.200 -0.026 0.000 0.905 316 S HN 0.643 nan 8.310 nan 0.000 0.586 317 P HA 0.501 nan 4.420 nan 0.000 0.278 317 P C -2.687 174.715 177.300 0.170 0.000 1.266 317 P CA -1.743 61.401 63.100 0.075 0.000 0.807 317 P CB -0.220 31.640 31.700 0.266 0.000 1.094 318 P HA 0.006 nan 4.420 nan 0.000 0.266 318 P C -0.291 177.217 177.300 0.348 0.000 1.195 318 P CA 0.129 63.405 63.100 0.294 0.000 0.768 318 P CB 0.076 31.982 31.700 0.342 0.000 0.838 319 V N 3.917 123.968 119.914 0.229 0.000 2.740 319 V HA -0.035 4.085 4.120 -0.000 0.000 0.303 319 V C 0.423 176.666 176.094 0.248 0.000 1.054 319 V CA 0.203 62.600 62.300 0.162 0.000 1.106 319 V CB -0.448 31.421 31.823 0.076 0.000 0.957 319 V HN 0.388 nan 8.190 nan 0.000 0.486 320 F N 5.536 125.413 119.950 -0.121 0.000 2.335 320 F HA 0.404 4.931 4.527 -0.000 0.000 0.365 320 F C 0.256 175.993 175.800 -0.105 0.000 1.122 320 F CA -1.378 56.522 58.000 -0.165 0.000 1.151 320 F CB 0.130 38.815 39.000 -0.525 0.000 1.282 320 F HN 0.541 nan 8.300 nan 0.000 0.513 321 N N 6.448 125.030 118.700 -0.197 0.000 2.401 321 N HA 0.104 4.843 4.740 -0.000 0.000 0.255 321 N C 0.530 175.684 175.510 -0.594 0.000 1.110 321 N CA 0.011 52.869 53.050 -0.320 0.000 0.949 321 N CB 0.741 39.178 38.487 -0.083 0.000 1.110 321 N HN 0.799 nan 8.380 nan 0.000 0.490 322 M N 1.879 121.063 119.600 -0.694 0.000 2.618 322 M HA 0.086 4.566 4.480 -0.000 0.000 0.240 322 M C 0.256 176.402 176.300 -0.256 0.000 1.123 322 M CA 0.327 55.272 55.300 -0.591 0.000 1.060 322 M CB 0.187 32.461 32.600 -0.543 0.000 1.535 322 M HN 0.332 nan 8.290 nan 0.000 0.507 323 N N 0.901 119.489 118.700 -0.186 0.000 2.273 323 N HA 0.043 4.783 4.740 -0.000 0.000 0.231 323 N C 0.408 175.888 175.510 -0.050 0.000 1.134 323 N CA 0.194 53.186 53.050 -0.098 0.000 0.856 323 N CB 0.410 38.845 38.487 -0.087 0.000 1.068 323 N HN 0.593 nan 8.380 nan 0.000 0.510 324 Q N -0.715 119.066 119.800 -0.032 0.000 2.135 324 Q HA 0.272 4.611 4.340 -0.000 0.000 0.222 324 Q C -0.768 175.257 176.000 0.041 0.000 0.808 324 Q CA -0.337 55.472 55.803 0.011 0.000 1.049 324 Q CB -0.274 28.481 28.738 0.027 0.000 1.168 324 Q HN -0.066 nan 8.270 nan 0.000 0.483 325 N N 0.729 119.453 118.700 0.040 0.000 2.725 325 N HA -0.176 4.563 4.740 -0.000 0.000 0.249 325 N C -1.248 174.326 175.510 0.106 0.000 1.103 325 N CA 0.930 54.019 53.050 0.065 0.000 0.707 325 N CB -1.055 37.462 38.487 0.050 0.000 1.043 325 N HN 0.504 nan 8.380 nan 0.000 0.553 326 I N 0.295 120.954 120.570 0.148 0.000 2.595 326 I HA 0.192 4.362 4.170 -0.000 0.000 0.275 326 I C -1.478 174.839 176.117 0.334 0.000 1.092 326 I CA -1.670 59.761 61.300 0.219 0.000 1.145 326 I CB 1.358 39.490 38.000 0.221 0.000 1.276 326 I HN -0.100 nan 8.210 nan 0.000 0.497 327 P HA -0.167 nan 4.420 nan 0.000 0.223 327 P C 0.139 177.730 177.300 0.484 0.000 1.151 327 P CA 0.977 64.318 63.100 0.402 0.000 0.787 327 P CB 0.180 32.052 31.700 0.287 0.000 0.788 328 Y N 0.837 121.310 120.300 0.288 0.000 2.308 328 Y HA 0.400 4.950 4.550 -0.000 0.000 0.329 328 Y C -0.843 175.196 175.900 0.233 0.000 1.111 328 Y CA -1.119 57.116 58.100 0.226 0.000 1.179 328 Y CB 0.487 39.040 38.460 0.155 0.000 1.201 328 Y HN -0.192 nan 8.280 nan 0.000 0.483 329 Y N 4.925 124.761 120.300 -0.774 0.000 2.406 329 Y HA 0.702 5.251 4.550 -0.000 0.000 0.340 329 Y C -1.091 174.184 175.900 -1.042 0.000 0.975 329 Y CA -1.139 56.545 58.100 -0.694 0.000 1.056 329 Y CB 1.278 39.422 38.460 -0.526 0.000 1.210 329 Y HN 0.826 nan 8.280 nan 0.000 0.448 330 A N 4.516 126.650 122.820 -1.143 0.000 2.279 330 A HA 0.416 4.736 4.320 -0.000 0.000 0.306 330 A C -0.094 177.127 177.584 -0.605 0.000 1.300 330 A CA -0.344 51.282 52.037 -0.685 0.000 0.925 330 A CB 0.119 18.953 19.000 -0.278 0.000 1.152 330 A HN 0.686 nan 8.150 nan 0.000 0.544 331 S N 1.902 117.381 115.700 -0.368 0.000 2.516 331 S HA 0.245 4.715 4.470 -0.000 0.000 0.282 331 S C 1.056 175.442 174.600 -0.355 0.000 1.286 331 S CA -0.225 57.802 58.200 -0.288 0.000 1.066 331 S CB 0.050 63.035 63.200 -0.359 0.000 0.884 331 S HN 0.722 nan 8.310 nan 0.000 0.491 332 R N 3.111 123.344 120.500 -0.445 0.000 2.470 332 R HA 0.158 4.498 4.340 -0.000 0.000 0.210 332 R C -0.801 175.039 176.300 -0.768 0.000 0.873 332 R CA 0.428 56.075 56.100 -0.754 0.000 1.015 332 R CB 0.245 29.740 30.300 -1.342 0.000 1.348 332 R HN 0.585 nan 8.270 nan 0.000 0.650 333 F N 0.948 120.865 119.950 -0.055 0.000 2.382 333 F HA 0.645 5.172 4.527 -0.000 0.000 0.361 333 F C 0.717 176.489 175.800 -0.047 0.000 1.109 333 F CA -0.555 57.424 58.000 -0.035 0.000 1.031 333 F CB 1.918 40.914 39.000 -0.006 0.000 1.234 333 F HN 0.194 nan 8.300 nan 0.000 0.445 334 G N 0.593 109.440 108.800 0.078 0.000 2.352 334 G HA2 0.242 4.202 3.960 -0.000 0.000 0.283 334 G HA3 0.242 4.202 3.960 -0.000 0.000 0.283 334 G C -1.930 172.960 174.900 -0.018 0.000 1.308 334 G CA -0.815 44.298 45.100 0.023 0.000 0.892 334 G HN 0.439 nan 8.290 nan 0.000 0.504 335 V N -0.014 119.888 119.914 -0.021 0.000 2.775 335 V HA 0.655 4.775 4.120 -0.000 0.000 0.299 335 V C -0.156 175.896 176.094 -0.071 0.000 1.062 335 V CA -0.348 61.935 62.300 -0.028 0.000 1.063 335 V CB 1.232 33.056 31.823 0.002 0.000 0.994 335 V HN 1.004 nan 8.190 nan 0.000 0.483 336 L N 6.224 127.406 121.223 -0.069 0.000 2.298 336 L HA 0.584 4.924 4.340 -0.000 0.000 0.284 336 L C -0.257 176.571 176.870 -0.071 0.000 1.013 336 L CA 0.209 54.995 54.840 -0.089 0.000 0.824 336 L CB 1.312 43.315 42.059 -0.094 0.000 1.221 336 L HN 0.643 nan 8.230 nan 0.000 0.418 337 E N 2.794 122.964 120.200 -0.050 0.000 2.191 337 E HA 0.444 4.794 4.350 -0.000 0.000 0.274 337 E C -0.876 175.640 176.600 -0.140 0.000 0.948 337 E CA -0.495 55.850 56.400 -0.090 0.000 0.802 337 E CB 1.909 31.604 29.700 -0.009 0.000 1.137 337 E HN 0.505 nan 8.360 nan 0.000 0.397 338 S N 1.911 117.415 115.700 -0.327 0.000 2.462 338 S HA 0.535 5.005 4.470 -0.000 0.000 0.294 338 S C -0.906 173.365 174.600 -0.548 0.000 1.144 338 S CA -0.512 57.530 58.200 -0.262 0.000 1.088 338 S CB 0.301 63.403 63.200 -0.163 0.000 1.009 338 S HN 0.287 nan 8.310 nan 0.000 0.484 339 Y N 0.799 121.091 120.300 -0.013 0.000 2.545 339 Y HA 0.542 5.092 4.550 -0.000 0.000 0.348 339 Y C 0.220 176.129 175.900 0.016 0.000 1.002 339 Y CA -1.064 57.038 58.100 0.004 0.000 1.039 339 Y CB 1.468 39.940 38.460 0.020 0.000 1.271 339 Y HN 0.478 nan 8.280 nan 0.000 0.467 340 R N 4.230 124.819 120.500 0.149 0.000 2.295 340 R HA 0.516 4.855 4.340 -0.000 0.000 0.324 340 R C -2.844 173.481 176.300 0.042 0.000 0.968 340 R CA -1.705 54.444 56.100 0.082 0.000 0.837 340 R CB 1.045 31.366 30.300 0.035 0.000 1.133 340 R HN 0.460 nan 8.270 nan 0.000 0.450 341 P HA 0.307 nan 4.420 nan 0.000 0.281 341 P C -0.605 176.415 177.300 -0.466 0.000 1.281 341 P CA -0.535 62.469 63.100 -0.160 0.000 0.811 341 P CB 1.272 32.917 31.700 -0.091 0.000 1.154 342 I N 0.219 120.531 120.570 -0.429 0.000 2.441 342 I HA 0.331 4.501 4.170 -0.000 0.000 0.295 342 I C -0.275 175.519 176.117 -0.540 0.000 0.994 342 I CA -0.660 60.351 61.300 -0.481 0.000 1.144 342 I CB 0.936 38.833 38.000 -0.173 0.000 1.314 342 I HN 0.193 nan 8.210 nan 0.000 0.445 343 F N 2.472 122.438 119.950 0.026 0.000 2.575 343 F HA 0.640 5.167 4.527 -0.000 0.000 0.330 343 F C 0.562 176.364 175.800 0.002 0.000 1.056 343 F CA -0.806 57.200 58.000 0.010 0.000 0.964 343 F CB 1.719 40.722 39.000 0.005 0.000 1.258 343 F HN 0.342 nan 8.300 nan 0.000 0.484 344 T N -1.732 112.951 114.554 0.215 0.000 2.916 344 T HA 0.812 5.162 4.350 -0.000 0.000 0.292 344 T C -0.064 174.682 174.700 0.076 0.000 1.055 344 T CA -0.307 61.860 62.100 0.112 0.000 1.009 344 T CB 1.430 70.332 68.868 0.058 0.000 1.118 344 T HN 1.670 nan 8.240 nan 0.000 0.497 345 G N 1.362 110.184 108.800 0.037 0.000 2.642 345 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.231 345 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.231 345 G C 0.864 175.752 174.900 -0.021 0.000 1.338 345 G CA 0.663 45.763 45.100 0.001 0.000 0.883 345 G HN 2.042 nan 8.290 nan 0.000 0.570 346 S N -0.874 114.797 115.700 -0.050 0.000 2.527 346 S HA 0.315 4.784 4.470 -0.000 0.000 0.222 346 S C 1.317 175.829 174.600 -0.146 0.000 0.985 346 S CA 1.205 59.358 58.200 -0.078 0.000 0.921 346 S CB 0.071 63.231 63.200 -0.065 0.000 0.772 346 S HN 1.705 nan 8.310 nan 0.000 0.529 347 L N 3.519 124.642 121.223 -0.167 0.000 2.559 347 L HA 0.377 4.717 4.340 -0.000 0.000 0.274 347 L C -0.330 176.189 176.870 -0.585 0.000 1.205 347 L CA 0.560 55.235 54.840 -0.276 0.000 0.907 347 L CB -0.044 41.898 42.059 -0.195 0.000 1.153 347 L HN 0.338 nan 8.230 nan 0.000 0.490 348 N N 2.070 120.376 118.700 -0.657 0.000 2.621 348 N HA 0.121 4.861 4.740 -0.000 0.000 0.271 348 N C 0.291 175.465 175.510 -0.561 0.000 1.181 348 N CA 0.314 52.760 53.050 -1.008 0.000 0.805 348 N CB 1.176 39.359 38.487 -0.507 0.000 1.351 348 N HN 0.708 nan 8.380 nan 0.000 0.539 349 T N -0.380 113.879 114.554 -0.493 0.000 3.148 349 T HA 0.309 4.659 4.350 -0.000 0.000 0.253 349 T C 1.107 175.893 174.700 0.144 0.000 1.134 349 T CA 0.601 62.703 62.100 0.002 0.000 1.051 349 T CB -0.371 68.633 68.868 0.227 0.000 0.959 349 T HN 0.716 nan 8.240 nan 0.000 0.525 350 G N 1.356 110.268 108.800 0.188 0.000 2.633 350 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.263 350 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.263 350 G C -0.066 175.007 174.900 0.288 0.000 1.310 350 G CA -0.277 44.966 45.100 0.238 0.000 0.914 350 G HN 0.656 nan 8.290 nan 0.000 0.569 351 S N -0.622 115.190 115.700 0.187 0.000 2.579 351 S HA 0.515 4.984 4.470 -0.000 0.000 0.275 351 S C 0.593 175.291 174.600 0.164 0.000 1.345 351 S CA 0.195 58.490 58.200 0.158 0.000 1.031 351 S CB 0.423 63.684 63.200 0.101 0.000 0.892 351 S HN 0.597 nan 8.310 nan 0.000 0.529 352 I N 2.367 123.043 120.570 0.177 0.000 2.418 352 I HA 0.318 4.488 4.170 -0.000 0.000 0.287 352 I C -0.755 175.453 176.117 0.151 0.000 1.008 352 I CA -0.737 60.665 61.300 0.171 0.000 1.104 352 I CB 1.783 39.926 38.000 0.238 0.000 1.264 352 I HN 0.411 nan 8.210 nan 0.000 0.438 353 D N 5.677 126.099 120.400 0.037 0.000 2.193 353 D HA 0.493 5.133 4.640 -0.000 0.000 0.249 353 D C -0.555 175.664 176.300 -0.136 0.000 1.034 353 D CA -0.189 53.804 54.000 -0.013 0.000 0.902 353 D CB 2.804 43.558 40.800 -0.077 0.000 1.182 353 D HN 0.049 nan 8.370 nan 0.000 0.436 354 V N 1.882 121.716 119.914 -0.134 0.000 2.483 354 V HA 0.343 4.463 4.120 -0.000 0.000 0.297 354 V C -0.003 175.913 176.094 -0.296 0.000 1.027 354 V CA -0.887 61.193 62.300 -0.368 0.000 0.855 354 V CB 1.900 33.420 31.823 -0.506 0.000 0.995 354 V HN 0.335 nan 8.190 nan 0.000 0.424 355 R N 4.617 124.889 120.500 -0.380 0.000 2.312 355 R HA 0.772 5.112 4.340 -0.000 0.000 0.311 355 R C -0.788 175.240 176.300 -0.453 0.000 1.004 355 R CA -0.143 55.753 56.100 -0.340 0.000 0.902 355 R CB 1.065 31.170 30.300 -0.325 0.000 1.073 355 R HN 0.738 nan 8.270 nan 0.000 0.457 356 M N 3.395 122.724 119.600 -0.451 0.000 2.259 356 M HA 0.364 4.844 4.480 -0.000 0.000 0.304 356 M C -1.048 174.950 176.300 -0.503 0.000 1.019 356 M CA -0.455 54.398 55.300 -0.743 0.000 0.922 356 M CB 2.378 34.443 32.600 -0.892 0.000 1.600 356 M HN 0.476 nan 8.290 nan 0.000 0.433 357 Q N 2.962 122.449 119.800 -0.520 0.000 2.275 357 Q HA 0.419 4.759 4.340 -0.000 0.000 0.258 357 Q C -1.791 174.101 176.000 -0.181 0.000 0.960 357 Q CA -0.497 55.171 55.803 -0.225 0.000 0.801 357 Q CB 2.492 31.171 28.738 -0.100 0.000 1.302 357 Q HN 0.654 nan 8.270 nan 0.000 0.433 358 V N 3.467 123.351 119.914 -0.049 0.000 2.585 358 V HA 0.284 4.403 4.120 -0.000 0.000 0.296 358 V C -0.043 176.109 176.094 0.096 0.000 1.035 358 V CA 0.625 62.953 62.300 0.047 0.000 1.084 358 V CB 1.124 33.005 31.823 0.097 0.000 0.953 358 V HN 0.831 nan 8.190 nan 0.000 0.483 359 T N 7.133 121.782 114.554 0.158 0.000 2.971 359 T HA 0.414 4.763 4.350 -0.000 0.000 0.304 359 T C -2.883 171.917 174.700 0.166 0.000 1.038 359 T CA -1.087 61.120 62.100 0.178 0.000 1.007 359 T CB 2.221 71.218 68.868 0.215 0.000 1.055 359 T HN 0.436 nan 8.240 nan 0.000 0.451 360 P HA 0.371 nan 4.420 nan 0.000 0.276 360 P C -0.993 176.318 177.300 0.018 0.000 1.230 360 P CA -0.361 62.774 63.100 0.059 0.000 0.776 360 P CB 0.640 32.360 31.700 0.033 0.000 0.888 361 V N 4.781 124.678 119.914 -0.028 0.000 2.444 361 V HA 0.220 4.340 4.120 -0.000 0.000 0.294 361 V C 0.148 176.160 176.094 -0.136 0.000 1.022 361 V CA -0.838 61.377 62.300 -0.140 0.000 0.850 361 V CB 1.703 33.383 31.823 -0.240 0.000 0.992 361 V HN 0.378 nan 8.190 nan 0.000 0.426 362 L N 5.516 126.617 121.223 -0.203 0.000 2.295 362 L HA 0.740 5.080 4.340 -0.000 0.000 0.288 362 L C 0.635 177.379 176.870 -0.209 0.000 1.079 362 L CA 0.457 55.197 54.840 -0.167 0.000 0.830 362 L CB 0.485 42.456 42.059 -0.147 0.000 1.200 362 L HN 0.800 nan 8.230 nan 0.000 0.438 363 A N 2.872 125.632 122.820 -0.099 0.000 2.259 363 A HA 0.416 4.736 4.320 -0.000 0.000 0.278 363 A C 1.302 178.825 177.584 -0.102 0.000 1.107 363 A CA 0.244 52.218 52.037 -0.107 0.000 0.828 363 A CB 0.174 19.184 19.000 0.016 0.000 1.111 363 A HN 0.878 nan 8.150 nan 0.000 0.498 364 T N -1.473 113.019 114.554 -0.103 0.000 3.072 364 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 364 T C 0.790 175.461 174.700 -0.048 0.000 1.127 364 T CA 1.203 63.255 62.100 -0.080 0.000 1.107 364 T CB -0.562 68.262 68.868 -0.074 0.000 0.910 364 T HN 0.754 nan 8.240 nan 0.000 0.513 365 N N 0.968 119.652 118.700 -0.027 0.000 2.322 365 N HA 0.053 4.793 4.740 -0.000 0.000 0.194 365 N C 0.416 175.913 175.510 -0.022 0.000 1.126 365 N CA 0.001 53.044 53.050 -0.011 0.000 0.845 365 N CB -0.709 37.788 38.487 0.016 0.000 0.976 365 N HN 0.244 nan 8.380 nan 0.000 0.475 366 N N -1.212 117.466 118.700 -0.038 0.000 2.753 366 N HA -0.152 4.588 4.740 -0.000 0.000 0.251 366 N C -1.161 174.300 175.510 -0.081 0.000 1.097 366 N CA 1.204 54.219 53.050 -0.059 0.000 0.786 366 N CB -1.797 36.658 38.487 -0.053 0.000 1.137 366 N HN 0.416 nan 8.380 nan 0.000 0.566 367 T N 0.231 114.739 114.554 -0.076 0.000 2.909 367 T HA 0.433 4.783 4.350 -0.000 0.000 0.286 367 T C 0.370 174.887 174.700 -0.305 0.000 1.002 367 T CA -0.058 61.905 62.100 -0.229 0.000 1.074 367 T CB 1.399 70.081 68.868 -0.311 0.000 0.984 367 T HN -0.011 nan 8.240 nan 0.000 0.495 368 T N 3.144 117.434 114.554 -0.440 0.000 2.795 368 T HA 0.550 4.900 4.350 -0.000 0.000 0.282 368 T C -1.091 173.268 174.700 -0.568 0.000 0.980 368 T CA -0.276 61.625 62.100 -0.332 0.000 1.012 368 T CB 0.216 68.964 68.868 -0.201 0.000 0.936 368 T HN 0.420 nan 8.240 nan 0.000 0.457 369 Y N 1.301 121.457 120.300 -0.240 0.000 2.536 369 Y HA 0.412 4.962 4.550 -0.000 0.000 0.347 369 Y C 0.385 176.243 175.900 -0.071 0.000 1.000 369 Y CA -1.265 56.655 58.100 -0.300 0.000 1.051 369 Y CB 1.664 39.768 38.460 -0.594 0.000 1.259 369 Y HN 0.563 nan 8.280 nan 0.000 0.468 370 N N 1.937 120.780 118.700 0.238 0.000 2.422 370 N HA 0.591 5.331 4.740 -0.000 0.000 0.266 370 N C -1.543 174.175 175.510 0.347 0.000 1.007 370 N CA -0.329 52.869 53.050 0.247 0.000 0.941 370 N CB 0.963 39.570 38.487 0.200 0.000 1.115 370 N HN 0.285 nan 8.380 nan 0.000 0.492 371 L N 1.654 123.068 121.223 0.318 0.000 2.277 371 L HA 0.613 4.953 4.340 -0.000 0.000 0.254 371 L C -0.657 176.425 176.870 0.354 0.000 1.044 371 L CA -0.792 54.275 54.840 0.379 0.000 0.842 371 L CB 1.528 43.847 42.059 0.433 0.000 1.422 371 L HN 0.450 nan 8.230 nan 0.000 0.422 372 I N 0.931 121.683 120.570 0.303 0.000 2.378 372 I HA 0.659 4.829 4.170 -0.000 0.000 0.291 372 I C -0.304 175.711 176.117 -0.169 0.000 0.992 372 I CA -0.747 60.565 61.300 0.019 0.000 1.154 372 I CB 1.678 39.652 38.000 -0.043 0.000 1.315 372 I HN 0.558 nan 8.210 nan 0.000 0.448 373 A N 6.809 129.264 122.820 -0.608 0.000 2.292 373 A HA 0.767 5.087 4.320 -0.000 0.000 0.319 373 A C -1.030 176.066 177.584 -0.813 0.000 1.206 373 A CA -0.259 51.156 52.037 -1.036 0.000 0.835 373 A CB 0.236 18.399 19.000 -1.394 0.000 1.164 373 A HN 0.593 nan 8.150 nan 0.000 0.505 374 F N 1.532 121.117 119.950 -0.608 0.000 2.403 374 F HA 0.387 4.914 4.527 -0.000 0.000 0.355 374 F C 0.547 176.029 175.800 -0.529 0.000 1.119 374 F CA -0.173 57.492 58.000 -0.558 0.000 1.007 374 F CB 2.434 41.149 39.000 -0.476 0.000 1.194 374 F HN 0.434 nan 8.300 nan 0.000 0.443 375 T N 4.460 118.757 114.554 -0.429 0.000 2.758 375 T HA 0.408 4.758 4.350 -0.000 0.000 0.285 375 T C -0.565 173.807 174.700 -0.547 0.000 0.981 375 T CA -0.391 61.500 62.100 -0.349 0.000 0.965 375 T CB 0.245 68.948 68.868 -0.275 0.000 0.927 375 T HN 0.158 nan 8.240 nan 0.000 0.448 376 F N 2.740 122.341 119.950 -0.582 0.000 2.411 376 F HA 0.322 4.849 4.527 -0.000 0.000 0.355 376 F C 1.127 176.594 175.800 -0.554 0.000 1.117 376 F CA -0.627 56.982 58.000 -0.652 0.000 1.139 376 F CB 0.902 39.171 39.000 -1.218 0.000 1.120 376 F HN 0.349 nan 8.300 nan 0.000 0.493 377 Q N 3.745 123.342 119.800 -0.338 0.000 2.413 377 Q HA 0.356 4.696 4.340 -0.000 0.000 0.258 377 Q C -1.044 174.932 176.000 -0.040 0.000 1.037 377 Q CA -0.636 54.886 55.803 -0.468 0.000 0.764 377 Q CB 1.407 29.625 28.738 -0.867 0.000 1.217 377 Q HN 0.640 nan 8.270 nan 0.000 0.490 378 C N 0.871 120.274 119.300 0.171 0.000 2.605 378 C HA 0.358 4.818 4.460 -0.000 0.000 0.404 378 C C 1.878 176.984 174.990 0.194 0.000 1.284 378 C CA -0.208 58.936 59.018 0.211 0.000 2.199 378 C CB 0.405 28.299 27.740 0.257 0.000 2.647 378 C HN 0.994 nan 8.230 nan 0.000 0.604 379 A N 2.241 125.153 122.820 0.154 0.000 1.968 379 A HA 0.096 4.416 4.320 -0.000 0.000 0.217 379 A C 1.031 178.677 177.584 0.104 0.000 1.169 379 A CA 1.078 53.189 52.037 0.123 0.000 0.638 379 A CB -0.126 18.935 19.000 0.101 0.000 0.812 379 A HN 0.789 nan 8.150 nan 0.000 0.446 380 S N -1.085 114.672 115.700 0.094 0.000 2.513 380 S HA 0.672 5.142 4.470 -0.000 0.000 0.299 380 S C 0.034 174.669 174.600 0.058 0.000 1.087 380 S CA -0.340 57.892 58.200 0.054 0.000 1.012 380 S CB 1.716 64.922 63.200 0.010 0.000 1.044 380 S HN 0.699 nan 8.310 nan 0.000 0.485 381 A N 1.013 123.860 122.820 0.044 0.000 2.386 381 A HA 0.723 5.043 4.320 -0.000 0.000 0.246 381 A C 1.308 178.878 177.584 -0.022 0.000 1.089 381 A CA 0.461 52.522 52.037 0.040 0.000 0.790 381 A CB -0.476 18.548 19.000 0.039 0.000 1.042 381 A HN 1.597 nan 8.150 nan 0.000 0.497 382 G N -1.201 107.569 108.800 -0.049 0.000 3.675 382 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.206 382 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.206 382 G C 0.838 175.615 174.900 -0.206 0.000 1.086 382 G CA 0.525 45.555 45.100 -0.116 0.000 0.894 382 G HN 1.177 nan 8.290 nan 0.000 0.412 383 L N 0.813 121.841 121.223 -0.325 0.000 2.127 383 L HA 0.337 4.677 4.340 -0.000 0.000 0.211 383 L C 1.672 177.999 176.870 -0.905 0.000 1.089 383 L CA 2.044 56.482 54.840 -0.670 0.000 0.757 383 L CB -0.510 40.993 42.059 -0.928 0.000 0.899 383 L HN 0.255 nan 8.230 nan 0.000 0.434 384 F N -1.329 118.532 119.950 -0.149 0.000 2.647 384 F HA 0.318 4.844 4.527 -0.000 0.000 0.300 384 F C 0.739 176.480 175.800 -0.097 0.000 1.106 384 F CA -0.748 57.160 58.000 -0.154 0.000 1.313 384 F CB -0.608 38.306 39.000 -0.142 0.000 1.007 384 F HN 0.026 nan 8.300 nan 0.000 0.536 385 N N 3.063 121.748 118.700 -0.025 0.000 2.426 385 N HA 0.158 4.898 4.740 -0.000 0.000 0.257 385 N C -1.781 173.704 175.510 -0.041 0.000 1.002 385 N CA -2.041 50.997 53.050 -0.020 0.000 0.942 385 N CB 1.697 40.163 38.487 -0.035 0.000 1.112 385 N HN -0.095 nan 8.380 nan 0.000 0.499 386 P HA -0.086 nan 4.420 nan 0.000 0.226 386 P C 0.812 178.094 177.300 -0.031 0.000 1.146 386 P CA 1.161 64.247 63.100 -0.024 0.000 0.773 386 P CB 0.025 31.721 31.700 -0.007 0.000 0.772 387 T N -4.210 110.324 114.554 -0.033 0.000 3.086 387 T HA 0.184 4.534 4.350 -0.000 0.000 0.250 387 T C 0.524 175.197 174.700 -0.046 0.000 1.074 387 T CA -0.172 61.908 62.100 -0.034 0.000 0.988 387 T CB -0.421 68.431 68.868 -0.027 0.000 0.988 387 T HN -0.187 nan 8.240 nan 0.000 0.530 388 V N 3.198 123.074 119.914 -0.063 0.000 2.357 388 V HA 0.493 4.613 4.120 -0.000 0.000 0.284 388 V C -0.826 175.212 176.094 -0.093 0.000 1.018 388 V CA -1.119 61.131 62.300 -0.083 0.000 0.841 388 V CB 1.160 32.921 31.823 -0.104 0.000 0.991 388 V HN 0.405 nan 8.190 nan 0.000 0.437 389 N N 3.282 121.935 118.700 -0.079 0.000 2.319 389 N HA 0.882 5.622 4.740 -0.000 0.000 0.305 389 N C 0.253 175.724 175.510 -0.065 0.000 1.103 389 N CA 0.182 53.191 53.050 -0.069 0.000 0.815 389 N CB 2.550 41.008 38.487 -0.048 0.000 1.288 389 N HN 0.927 nan 8.380 nan 0.000 0.493 390 G N -0.499 108.268 108.800 -0.055 0.000 2.334 390 G HA2 0.186 4.146 3.960 -0.000 0.000 0.249 390 G HA3 0.186 4.146 3.960 -0.000 0.000 0.249 390 G C -1.458 173.433 174.900 -0.015 0.000 1.327 390 G CA -0.247 44.837 45.100 -0.026 0.000 0.979 390 G HN 0.750 nan 8.290 nan 0.000 0.471 391 T N -2.836 111.736 114.554 0.031 0.000 2.906 391 T HA 0.787 5.137 4.350 -0.000 0.000 0.295 391 T C -1.253 173.527 174.700 0.134 0.000 1.061 391 T CA -0.260 61.867 62.100 0.046 0.000 1.000 391 T CB 1.952 70.841 68.868 0.035 0.000 1.103 391 T HN 1.985 nan 8.240 nan 0.000 0.486 392 V N 0.888 120.872 119.914 0.116 0.000 2.686 392 V HA 0.858 4.978 4.120 -0.000 0.000 0.306 392 V C -0.999 175.149 176.094 0.089 0.000 1.065 392 V CA -0.458 61.953 62.300 0.185 0.000 0.894 392 V CB 1.275 33.271 31.823 0.288 0.000 1.004 392 V HN 1.543 nan 8.190 nan 0.000 0.424 393 A N 7.111 129.957 122.820 0.043 0.000 2.356 393 A HA 0.911 5.230 4.320 -0.000 0.000 0.310 393 A C -1.138 176.478 177.584 0.053 0.000 1.075 393 A CA -0.566 51.503 52.037 0.053 0.000 0.746 393 A CB 1.435 20.457 19.000 0.036 0.000 1.221 393 A HN 1.305 nan 8.150 nan 0.000 0.443 394 I N 1.689 122.318 120.570 0.098 0.000 2.619 394 I HA 0.772 4.942 4.170 -0.000 0.000 0.292 394 I C 0.063 176.218 176.117 0.064 0.000 1.100 394 I CA 0.504 61.849 61.300 0.075 0.000 1.043 394 I CB 2.141 40.193 38.000 0.087 0.000 1.239 394 I HN 1.433 nan 8.210 nan 0.000 0.420 395 G N 6.158 114.943 108.800 -0.025 0.000 2.346 395 G HA2 0.095 4.055 3.960 -0.000 0.000 0.294 395 G HA3 0.095 4.055 3.960 -0.000 0.000 0.294 395 G C -3.221 171.608 174.900 -0.118 0.000 1.294 395 G CA -0.838 44.111 45.100 -0.251 0.000 0.962 395 G HN 0.496 nan 8.290 nan 0.000 0.508 396 P HA 0.478 nan 4.420 nan 0.000 0.276 396 P C -0.224 176.892 177.300 -0.307 0.000 1.243 396 P CA -0.189 62.450 63.100 -0.769 0.000 0.768 396 P CB 1.457 32.807 31.700 -0.584 0.000 0.856 397 V N 4.817 124.499 119.914 -0.386 0.000 2.368 397 V HA 0.142 4.262 4.120 -0.000 0.000 0.266 397 V C 0.482 176.556 176.094 -0.034 0.000 1.045 397 V CA -0.364 61.777 62.300 -0.266 0.000 0.899 397 V CB 1.257 32.831 31.823 -0.415 0.000 1.006 397 V HN 0.293 nan 8.190 nan 0.000 0.470 398 V N 5.297 125.284 119.914 0.121 0.000 2.417 398 V HA 0.460 4.580 4.120 -0.000 0.000 0.291 398 V C -0.216 176.006 176.094 0.213 0.000 1.024 398 V CA -0.604 61.772 62.300 0.127 0.000 0.861 398 V CB 1.573 33.440 31.823 0.074 0.000 0.985 398 V HN 0.896 nan 8.190 nan 0.000 0.436 399 H N 2.815 121.959 119.070 0.123 0.000 2.600 399 H HA 0.574 5.130 4.556 -0.000 0.000 0.357 399 H C -1.261 174.107 175.328 0.067 0.000 1.106 399 H CA -0.375 55.729 56.048 0.093 0.000 1.193 399 H CB 2.262 32.100 29.762 0.127 0.000 1.594 399 H HN 0.636 nan 8.280 nan 0.000 0.526 400 T N 4.649 118.908 114.554 -0.492 0.000 2.824 400 T HA 0.463 4.813 4.350 -0.000 0.000 0.282 400 T C -0.544 173.816 174.700 -0.568 0.000 0.993 400 T CA -0.482 61.380 62.100 -0.397 0.000 0.967 400 T CB 0.414 69.180 68.868 -0.171 0.000 0.960 400 T HN 0.772 nan 8.240 nan 0.000 0.441 401 C N 1.991 121.102 119.300 -0.314 0.000 3.239 401 C HA 0.803 5.263 4.460 -0.000 0.000 0.317 401 C C -3.212 171.750 174.990 -0.047 0.000 1.310 401 C CA -2.539 56.382 59.018 -0.161 0.000 1.371 401 C CB 0.891 28.598 27.740 -0.055 0.000 1.714 401 C HN 0.526 nan 8.230 nan 0.000 0.473 402 P HA 0.381 nan 4.420 nan 0.000 0.268 402 P C -0.078 177.233 177.300 0.018 0.000 1.204 402 P CA 0.689 63.788 63.100 -0.002 0.000 0.768 402 P CB 0.449 32.150 31.700 0.001 0.000 0.842 403 A N 3.134 125.958 122.820 0.007 0.000 2.304 403 A HA 0.505 4.824 4.320 -0.000 0.000 0.271 403 A C 1.628 179.212 177.584 0.000 0.000 1.091 403 A CA 0.225 52.263 52.037 0.003 0.000 0.812 403 A CB -0.038 18.941 19.000 -0.035 0.000 1.056 403 A HN 0.547 nan 8.150 nan 0.000 0.489 404 A N 1.009 123.832 122.820 0.005 0.000 1.940 404 A HA 0.067 4.386 4.320 -0.000 0.000 0.219 404 A C 1.175 178.751 177.584 -0.015 0.000 1.176 404 A CA 1.812 53.854 52.037 0.009 0.000 0.631 404 A CB -0.282 18.734 19.000 0.027 0.000 0.814 404 A HN 0.985 nan 8.150 nan 0.000 0.446 405 R N -3.315 117.159 120.500 -0.043 0.000 2.734 405 R HA 0.692 5.032 4.340 -0.000 0.000 0.271 405 R C -0.458 175.794 176.300 -0.079 0.000 1.021 405 R CA -0.355 55.713 56.100 -0.053 0.000 0.893 405 R CB 0.873 31.140 30.300 -0.055 0.000 1.244 405 R HN 0.209 nan 8.270 nan 0.000 0.464 406 A N 1.446 124.225 122.820 -0.068 0.000 2.346 406 A HA 0.486 4.806 4.320 -0.000 0.000 0.252 406 A C -2.149 175.369 177.584 -0.111 0.000 1.089 406 A CA -1.371 50.618 52.037 -0.078 0.000 0.797 406 A CB -0.426 18.544 19.000 -0.051 0.000 1.047 406 A HN 0.544 nan 8.150 nan 0.000 0.494 407 P HA 0.254 nan 4.420 nan 0.000 0.266 407 P C -0.646 176.593 177.300 -0.102 0.000 1.195 407 P CA 0.233 63.237 63.100 -0.160 0.000 0.768 407 P CB 0.490 32.115 31.700 -0.126 0.000 0.838 408 V N -0.437 119.414 119.914 -0.105 0.000 2.876 408 V HA 0.773 4.893 4.120 -0.000 0.000 0.312 408 V C 0.039 176.106 176.094 -0.045 0.000 1.085 408 V CA -0.856 61.407 62.300 -0.061 0.000 0.945 408 V CB 1.549 33.338 31.823 -0.055 0.000 1.017 408 V HN 0.620 nan 8.190 nan 0.000 0.428 409 T N 0.736 115.277 114.554 -0.022 0.000 2.847 409 T HA 0.684 5.034 4.350 -0.000 0.000 0.279 409 T C 0.574 175.272 174.700 -0.004 0.000 0.984 409 T CA 0.050 62.146 62.100 -0.006 0.000 0.988 409 T CB 1.507 70.376 68.868 0.002 0.000 1.040 409 T HN 1.899 nan 8.240 nan 0.000 0.528 410 V N 0.000 119.917 119.914 0.006 0.000 2.409 410 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 410 V CA 0.000 62.305 62.300 0.008 0.000 1.235 410 V CB 0.000 31.832 31.823 0.015 0.000 1.184 410 V HN 0.000 nan 8.190 nan 0.000 0.556