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 3ihy_1_D DATA FIRST_RESID 286 DATA SEQUENCE LKPNAATRDQ LNIIVSYPPT KQLTYEEQDL VWKFRYYLTN QEKALTKFLK DATA SEQUENCE CVNWDLPQEA KQALELLGKW KPMDVEDSLE LLSSHYTNPT VRRYAVARLR DATA SEQUENCE QADDEDLLMY LLQLVQALKY ENFDDIKNGL XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXLEQDL CTFLISRACK DATA SEQUENCE NSTLANYLYW YVIVECEDQD TQQRDPKTHE MYLNVMRRFS QALLKGDKSV DATA SEQUENCE RVMRSLLAAQ QTFVDRLVHL MKAVQRESGN RKKKNERLQA LLGDNEKMNL DATA SEQUENCE SDVELIPLPL EPQVKIRGII PETATLFKSA LMPAQLFFKT EDGGKYPVIF DATA SEQUENCE KHGDDLRQDQ LILQIISLMD KLLRKENLDL KLTPYKVLAT STKHGFMQFI DATA SEQUENCE QSVPVAEVLD TEGSIQNFFR KYAPSENGPN GISAEVMDTY VKSCAGYCVI DATA SEQUENCE TYILGVGDRH LDNLLLTKTG KLFHIDFGYI LGRDPKPLPP PMKLNKEMVE DATA SEQUENCE GMGGTQSEQY QEFRKQCYTA FLHLRRYSNL ILNLFSLMVD ANIPDIALEP DATA SEQUENCE DKTVKKVQDK FRLDLSDEEA VHYMQSLIDE SVHALF 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 286 L HA 0.000 nan 4.340 nan 0.000 0.249 286 L C 0.000 176.966 176.870 0.161 0.000 1.165 286 L CA 0.000 54.850 54.840 0.016 0.000 0.813 286 L CB 0.000 41.964 42.059 -0.158 0.000 0.961 287 K N 2.413 122.916 120.400 0.172 0.000 2.507 287 K HA 0.680 5.000 4.320 -0.000 0.000 0.251 287 K C -2.592 174.026 176.600 0.029 0.000 0.943 287 K CA -1.451 54.873 56.287 0.062 0.000 0.794 287 K CB 2.761 35.273 32.500 0.021 0.000 1.188 287 K HN 0.289 nan 8.250 nan 0.000 0.428 288 P HA 0.122 nan 4.420 nan 0.000 0.284 288 P C -1.014 176.124 177.300 -0.269 0.000 1.258 288 P CA -0.677 62.117 63.100 -0.510 0.000 0.824 288 P CB 0.674 31.665 31.700 -1.182 0.000 1.038 289 N N 0.560 119.158 118.700 -0.169 0.000 2.229 289 N HA 0.084 4.824 4.740 -0.000 0.000 0.242 289 N C 1.259 176.690 175.510 -0.133 0.000 1.327 289 N CA 0.161 53.146 53.050 -0.108 0.000 0.896 289 N CB -0.516 37.938 38.487 -0.054 0.000 1.129 289 N HN 0.351 nan 8.380 nan 0.000 0.490 290 A N -0.426 122.342 122.820 -0.086 0.000 1.855 290 A HA 0.024 4.344 4.320 -0.000 0.000 0.215 290 A C 2.285 179.820 177.584 -0.081 0.000 1.191 290 A CA 2.174 54.166 52.037 -0.077 0.000 0.613 290 A CB -1.753 17.217 19.000 -0.050 0.000 0.829 290 A HN 0.874 nan 8.150 nan 0.000 0.442 291 A N -0.159 122.620 122.820 -0.068 0.000 1.892 291 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 291 A C 2.258 179.790 177.584 -0.086 0.000 1.188 291 A CA 2.594 54.595 52.037 -0.060 0.000 0.631 291 A CB -1.588 17.389 19.000 -0.039 0.000 0.822 291 A HN 0.869 nan 8.150 nan 0.000 0.447 292 T N -2.953 111.526 114.554 -0.125 0.000 3.215 292 T HA 0.091 4.441 4.350 -0.000 0.000 0.254 292 T C 1.468 176.003 174.700 -0.274 0.000 1.149 292 T CA 0.931 62.914 62.100 -0.195 0.000 1.042 292 T CB -0.084 68.639 68.868 -0.242 0.000 0.966 292 T HN 0.427 nan 8.240 nan 0.000 0.534 293 R N 1.787 122.166 120.500 -0.202 0.000 2.057 293 R HA 0.028 4.368 4.340 -0.000 0.000 0.224 293 R C 1.963 178.206 176.300 -0.094 0.000 1.136 293 R CA 1.549 57.557 56.100 -0.152 0.000 0.968 293 R CB -0.437 29.798 30.300 -0.109 0.000 0.863 293 R HN 0.375 nan 8.270 nan 0.000 0.433 294 D N 0.354 120.705 120.400 -0.081 0.000 2.117 294 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 294 D C 1.753 178.011 176.300 -0.070 0.000 0.987 294 D CA 0.919 54.880 54.000 -0.064 0.000 0.829 294 D CB -0.030 40.739 40.800 -0.052 0.000 0.961 294 D HN 0.337 nan 8.370 nan 0.000 0.460 295 Q N 0.781 120.540 119.800 -0.069 0.000 2.047 295 Q HA -0.181 4.159 4.340 -0.000 0.000 0.211 295 Q C 2.730 178.688 176.000 -0.070 0.000 1.005 295 Q CA 1.088 56.857 55.803 -0.057 0.000 0.866 295 Q CB -0.724 27.987 28.738 -0.046 0.000 0.938 295 Q HN 0.397 nan 8.270 nan 0.000 0.414 296 L N 0.512 121.695 121.223 -0.067 0.000 2.046 296 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 296 L C 2.151 178.987 176.870 -0.056 0.000 1.077 296 L CA 1.103 55.925 54.840 -0.032 0.000 0.747 296 L CB -0.544 41.523 42.059 0.013 0.000 0.896 296 L HN 0.248 nan 8.230 nan 0.000 0.432 297 N N -0.018 118.645 118.700 -0.062 0.000 2.060 297 N HA -0.224 4.516 4.740 -0.000 0.000 0.195 297 N C 1.714 177.131 175.510 -0.155 0.000 1.028 297 N CA 1.386 54.388 53.050 -0.080 0.000 0.861 297 N CB -0.126 38.322 38.487 -0.064 0.000 1.029 297 N HN 0.129 nan 8.380 nan 0.000 0.428 298 I N 0.757 121.206 120.570 -0.202 0.000 2.179 298 I HA -0.201 3.968 4.170 -0.000 0.000 0.242 298 I C 2.006 177.661 176.117 -0.768 0.000 1.088 298 I CA 1.080 62.163 61.300 -0.361 0.000 1.357 298 I CB -1.013 36.834 38.000 -0.254 0.000 1.051 298 I HN 0.191 nan 8.210 nan 0.000 0.409 299 I N -0.016 120.207 120.570 -0.578 0.000 2.142 299 I HA -0.260 3.910 4.170 -0.000 0.000 0.240 299 I C 2.564 178.501 176.117 -0.300 0.000 1.078 299 I CA 1.046 62.020 61.300 -0.542 0.000 1.343 299 I CB -0.515 37.425 38.000 -0.101 0.000 1.046 299 I HN -0.042 nan 8.210 nan 0.000 0.405 300 V N 0.944 120.770 119.914 -0.147 0.000 2.568 300 V HA -0.238 3.882 4.120 -0.000 0.000 0.253 300 V C 2.167 178.222 176.094 -0.064 0.000 1.072 300 V CA 2.208 64.479 62.300 -0.048 0.000 1.084 300 V CB -0.624 31.195 31.823 -0.007 0.000 0.676 300 V HN 0.622 nan 8.190 nan 0.000 0.469 301 S N -2.381 113.233 115.700 -0.143 0.000 2.597 301 S HA 0.185 4.655 4.470 -0.000 0.000 0.224 301 S C 0.287 174.869 174.600 -0.030 0.000 0.955 301 S CA -0.445 57.699 58.200 -0.093 0.000 0.933 301 S CB -0.314 62.825 63.200 -0.103 0.000 0.788 301 S HN 0.409 nan 8.310 nan 0.000 0.488 302 Y N 3.032 123.327 120.300 -0.008 0.000 2.379 302 Y HA 0.426 4.975 4.550 -0.001 0.000 0.337 302 Y C -2.074 173.814 175.900 -0.020 0.000 1.238 302 Y CA -2.551 55.541 58.100 -0.014 0.000 1.405 302 Y CB -0.386 38.068 38.460 -0.011 0.000 1.310 302 Y HN 0.127 nan 8.280 nan 0.000 0.569 303 P HA -0.036 nan 4.420 nan 0.000 0.269 303 P C -1.913 175.424 177.300 0.060 0.000 1.211 303 P CA -0.754 62.387 63.100 0.069 0.000 0.781 303 P CB 0.181 31.902 31.700 0.034 0.000 0.877 304 P HA -0.121 nan 4.420 nan 0.000 0.223 304 P C 0.870 178.177 177.300 0.012 0.000 1.151 304 P CA 1.655 64.779 63.100 0.041 0.000 0.787 304 P CB -0.382 31.345 31.700 0.045 0.000 0.788 305 T N -4.393 110.157 114.554 -0.006 0.000 3.015 305 T HA 0.109 4.459 4.350 -0.000 0.000 0.250 305 T C 0.874 175.512 174.700 -0.103 0.000 1.057 305 T CA -0.207 61.859 62.100 -0.057 0.000 1.066 305 T CB -0.308 68.554 68.868 -0.010 0.000 0.959 305 T HN -0.065 nan 8.240 nan 0.000 0.488 306 K N 2.750 123.097 120.400 -0.088 0.000 2.527 306 K HA 0.008 4.328 4.320 -0.000 0.000 0.278 306 K C 0.109 176.603 176.600 -0.177 0.000 0.981 306 K CA 0.283 56.476 56.287 -0.157 0.000 1.009 306 K CB 0.250 32.617 32.500 -0.221 0.000 0.895 306 K HN 0.121 nan 8.250 nan 0.000 0.493 307 Q N 2.957 122.635 119.800 -0.205 0.000 2.260 307 Q HA 0.295 4.635 4.340 -0.000 0.000 0.242 307 Q C -0.397 175.494 176.000 -0.183 0.000 0.932 307 Q CA -0.512 55.178 55.803 -0.188 0.000 0.891 307 Q CB 1.156 29.790 28.738 -0.173 0.000 1.222 307 Q HN 0.587 nan 8.270 nan 0.000 0.453 308 L N 1.401 122.538 121.223 -0.143 0.000 2.307 308 L HA 0.301 4.641 4.340 -0.000 0.000 0.282 308 L C 0.749 177.545 176.870 -0.124 0.000 1.051 308 L CA -0.655 54.132 54.840 -0.088 0.000 0.804 308 L CB 1.407 43.440 42.059 -0.043 0.000 1.197 308 L HN 0.674 nan 8.230 nan 0.000 0.431 309 T N -1.448 113.074 114.554 -0.055 0.000 2.918 309 T HA 0.060 4.410 4.350 -0.000 0.000 0.302 309 T C 1.172 175.860 174.700 -0.020 0.000 1.045 309 T CA -0.112 61.972 62.100 -0.026 0.000 1.114 309 T CB 0.423 69.314 68.868 0.039 0.000 0.965 309 T HN 0.382 nan 8.240 nan 0.000 0.540 310 Y N 0.820 121.111 120.300 -0.014 0.000 2.173 310 Y HA -0.196 4.354 4.550 -0.000 0.000 0.282 310 Y C 2.693 178.595 175.900 0.005 0.000 1.192 310 Y CA 2.269 60.358 58.100 -0.020 0.000 1.176 310 Y CB -0.290 38.153 38.460 -0.030 0.000 0.969 310 Y HN 0.861 nan 8.280 nan 0.000 0.519 311 E N -0.062 120.238 120.200 0.166 0.000 2.072 311 E HA -0.182 4.167 4.350 -0.000 0.000 0.190 311 E C 1.886 178.558 176.600 0.119 0.000 0.982 311 E CA 0.883 57.359 56.400 0.126 0.000 0.803 311 E CB -0.026 29.736 29.700 0.104 0.000 0.755 311 E HN 0.524 nan 8.360 nan 0.000 0.453 312 E N 0.123 120.387 120.200 0.108 0.000 2.267 312 E HA -0.220 4.130 4.350 -0.000 0.000 0.197 312 E C 1.957 178.636 176.600 0.132 0.000 0.998 312 E CA 0.876 57.350 56.400 0.124 0.000 0.830 312 E CB 0.068 29.850 29.700 0.137 0.000 0.751 312 E HN 0.354 nan 8.360 nan 0.000 0.491 313 Q N 0.012 119.871 119.800 0.098 0.000 2.331 313 Q HA -0.088 4.252 4.340 -0.000 0.000 0.203 313 Q C 1.269 177.377 176.000 0.180 0.000 0.944 313 Q CA 0.616 56.480 55.803 0.101 0.000 0.892 313 Q CB 0.373 29.102 28.738 -0.015 0.000 0.983 313 Q HN 0.217 nan 8.270 nan 0.000 0.482 314 D N 0.584 121.087 120.400 0.172 0.000 2.162 314 D HA -0.108 4.532 4.640 -0.000 0.000 0.203 314 D C 1.820 178.284 176.300 0.274 0.000 0.967 314 D CA 0.491 54.620 54.000 0.215 0.000 0.840 314 D CB 0.031 40.922 40.800 0.152 0.000 0.972 314 D HN 0.109 nan 8.370 nan 0.000 0.482 315 L N 1.073 122.441 121.223 0.241 0.000 1.989 315 L HA -0.147 4.192 4.340 -0.000 0.000 0.211 315 L C 2.240 179.318 176.870 0.347 0.000 1.071 315 L CA 1.501 56.508 54.840 0.278 0.000 0.749 315 L CB -0.688 41.497 42.059 0.210 0.000 0.890 315 L HN -0.138 nan 8.230 nan 0.000 0.431 316 V N -1.079 119.030 119.914 0.325 0.000 2.358 316 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 316 V C 2.209 178.558 176.094 0.425 0.000 1.047 316 V CA 1.940 64.460 62.300 0.368 0.000 1.035 316 V CB -0.956 31.077 31.823 0.351 0.000 0.658 316 V HN 0.717 nan 8.190 nan 0.000 0.452 317 W N 1.601 123.064 121.300 0.273 0.000 2.338 317 W HA -0.228 4.432 4.660 -0.001 0.000 0.304 317 W C 2.431 179.046 176.519 0.161 0.000 1.212 317 W CA 2.350 59.853 57.345 0.264 0.000 1.264 317 W CB -0.109 29.457 29.460 0.177 0.000 1.142 317 W HN 0.277 nan 8.180 nan 0.000 0.512 318 K N 0.133 120.678 120.400 0.242 0.000 1.978 318 K HA -0.232 4.088 4.320 -0.000 0.000 0.214 318 K C 1.207 177.698 176.600 -0.182 0.000 1.049 318 K CA 1.691 57.975 56.287 -0.005 0.000 0.939 318 K CB -0.967 31.534 32.500 0.002 0.000 0.721 318 K HN -0.027 nan 8.250 nan 0.000 0.441 319 F N 2.189 122.180 119.950 0.068 0.000 2.913 319 F HA 0.174 4.700 4.527 -0.001 0.000 0.293 319 F C 1.562 177.398 175.800 0.059 0.000 1.223 319 F CA -0.221 57.827 58.000 0.081 0.000 1.393 319 F CB 0.104 39.162 39.000 0.096 0.000 1.102 319 F HN 0.161 nan 8.300 nan 0.000 0.524 320 R N -1.202 119.285 120.500 -0.022 0.000 2.075 320 R HA -0.178 4.162 4.340 -0.000 0.000 0.232 320 R C 1.117 177.134 176.300 -0.472 0.000 1.126 320 R CA 1.681 57.608 56.100 -0.289 0.000 0.963 320 R CB -0.952 28.944 30.300 -0.673 0.000 0.858 320 R HN 0.297 nan 8.270 nan 0.000 0.435 321 Y N -0.073 120.040 120.300 -0.313 0.000 2.373 321 Y HA -0.145 4.405 4.550 -0.000 0.000 0.293 321 Y C 2.339 178.101 175.900 -0.230 0.000 1.129 321 Y CA 1.181 59.090 58.100 -0.320 0.000 1.226 321 Y CB -0.339 37.986 38.460 -0.226 0.000 1.000 321 Y HN 0.122 nan 8.280 nan 0.000 0.549 322 Y N 0.258 120.550 120.300 -0.012 0.000 2.163 322 Y HA -0.193 4.357 4.550 0.000 0.000 0.288 322 Y C 1.787 177.618 175.900 -0.116 0.000 1.136 322 Y CA 1.467 59.571 58.100 0.007 0.000 1.147 322 Y CB -0.598 37.989 38.460 0.212 0.000 0.987 322 Y HN 0.033 nan 8.280 nan 0.000 0.509 323 L N -0.533 120.549 121.223 -0.235 0.000 2.376 323 L HA -0.155 4.185 4.340 -0.000 0.000 0.219 323 L C 2.525 179.051 176.870 -0.573 0.000 1.133 323 L CA 1.352 56.016 54.840 -0.293 0.000 0.816 323 L CB -0.734 41.404 42.059 0.132 0.000 0.933 323 L HN 0.270 nan 8.230 nan 0.000 0.449 324 T N 0.198 114.114 114.554 -1.063 0.000 2.721 324 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 324 T C 1.590 175.759 174.700 -0.885 0.000 1.038 324 T CA 2.249 63.417 62.100 -1.555 0.000 1.145 324 T CB -0.144 68.089 68.868 -1.058 0.000 0.858 324 T HN 0.399 nan 8.240 nan 0.000 0.459 325 N N 0.947 119.321 118.700 -0.543 0.000 2.270 325 N HA 0.037 4.776 4.740 -0.000 0.000 0.181 325 N C 0.720 176.111 175.510 -0.198 0.000 1.016 325 N CA 0.572 53.426 53.050 -0.326 0.000 0.870 325 N CB -0.088 38.221 38.487 -0.296 0.000 0.979 325 N HN 0.572 nan 8.380 nan 0.000 0.431 326 Q N 1.212 120.908 119.800 -0.174 0.000 2.307 326 Q HA 0.003 4.343 4.340 -0.000 0.000 0.261 326 Q C 0.850 176.972 176.000 0.205 0.000 1.051 326 Q CA -0.207 55.593 55.803 -0.004 0.000 0.911 326 Q CB 0.785 29.518 28.738 -0.007 0.000 1.227 326 Q HN 0.396 nan 8.270 nan 0.000 0.418 327 E N 3.637 123.937 120.200 0.166 0.000 2.274 327 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 327 E C 0.273 176.971 176.600 0.164 0.000 0.996 327 E CA 1.158 57.701 56.400 0.238 0.000 0.840 327 E CB 0.184 29.971 29.700 0.146 0.000 0.772 327 E HN 0.406 nan 8.360 nan 0.000 0.491 328 K N 0.253 120.720 120.400 0.112 0.000 2.444 328 K HA 0.224 4.543 4.320 -0.000 0.000 0.193 328 K C 1.402 178.044 176.600 0.070 0.000 1.024 328 K CA 0.469 56.794 56.287 0.062 0.000 1.077 328 K CB 0.421 32.942 32.500 0.035 0.000 0.833 328 K HN 0.156 nan 8.250 nan 0.000 0.517 329 A N 0.623 123.531 122.820 0.146 0.000 2.238 329 A HA 0.007 4.327 4.320 -0.000 0.000 0.210 329 A C 1.753 179.348 177.584 0.018 0.000 1.179 329 A CA 0.130 52.269 52.037 0.170 0.000 0.827 329 A CB -0.016 19.168 19.000 0.306 0.000 0.856 329 A HN 0.172 nan 8.150 nan 0.000 0.488 330 L N 0.902 121.959 121.223 -0.276 0.000 2.046 330 L HA -0.125 4.214 4.340 -0.000 0.000 0.208 330 L C 2.677 179.339 176.870 -0.345 0.000 1.077 330 L CA 2.942 57.281 54.840 -0.835 0.000 0.747 330 L CB -1.030 40.437 42.059 -0.987 0.000 0.896 330 L HN 0.544 nan 8.230 nan 0.000 0.432 331 T N -4.059 110.398 114.554 -0.162 0.000 2.904 331 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 331 T C 1.898 176.615 174.700 0.027 0.000 1.059 331 T CA 0.728 62.793 62.100 -0.058 0.000 1.137 331 T CB -0.245 68.611 68.868 -0.021 0.000 0.879 331 T HN 0.170 nan 8.240 nan 0.000 0.467 332 K N 0.826 121.250 120.400 0.040 0.000 2.031 332 K HA 0.124 4.444 4.320 -0.000 0.000 0.205 332 K C 1.881 178.548 176.600 0.111 0.000 1.049 332 K CA 0.819 57.161 56.287 0.091 0.000 0.939 332 K CB -1.018 31.551 32.500 0.115 0.000 0.717 332 K HN 0.494 nan 8.250 nan 0.000 0.438 333 F N 2.090 122.024 119.950 -0.027 0.000 2.161 333 F HA -0.130 4.397 4.527 -0.001 0.000 0.300 333 F C 1.841 177.648 175.800 0.011 0.000 1.089 333 F CA 1.141 59.138 58.000 -0.005 0.000 1.282 333 F CB -0.317 38.608 39.000 -0.125 0.000 1.010 333 F HN -0.117 nan 8.300 nan 0.000 0.485 334 L N -0.026 121.051 121.223 -0.244 0.000 2.201 334 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 334 L C 2.393 179.288 176.870 0.042 0.000 1.105 334 L CA 1.148 55.895 54.840 -0.155 0.000 0.775 334 L CB -0.566 41.539 42.059 0.077 0.000 0.913 334 L HN 0.061 nan 8.230 nan 0.000 0.440 335 K N -0.643 119.774 120.400 0.029 0.000 2.063 335 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 335 K C 2.144 178.635 176.600 -0.182 0.000 1.048 335 K CA 1.701 57.954 56.287 -0.056 0.000 0.928 335 K CB -0.358 32.110 32.500 -0.053 0.000 0.713 335 K HN 0.359 nan 8.250 nan 0.000 0.442 336 C N 0.725 119.899 119.300 -0.210 0.000 2.419 336 C HA -0.022 4.437 4.460 -0.000 0.000 0.281 336 C C 1.093 175.830 174.990 -0.421 0.000 1.336 336 C CA -0.379 58.499 59.018 -0.234 0.000 1.770 336 C CB -0.592 27.116 27.740 -0.053 0.000 1.929 336 C HN 0.118 nan 8.230 nan 0.000 0.509 337 V N 2.995 122.525 119.914 -0.641 0.000 2.740 337 V HA 0.095 4.214 4.120 -0.000 0.000 0.303 337 V C 0.073 175.571 176.094 -0.993 0.000 1.054 337 V CA 0.309 62.030 62.300 -0.966 0.000 1.106 337 V CB 0.235 31.083 31.823 -1.624 0.000 0.957 337 V HN 0.705 nan 8.190 nan 0.000 0.486 338 N N 2.270 120.488 118.700 -0.803 0.000 2.476 338 N HA 0.302 5.041 4.740 -0.000 0.000 0.257 338 N C -0.176 175.063 175.510 -0.451 0.000 0.970 338 N CA -0.816 51.894 53.050 -0.567 0.000 0.938 338 N CB 0.830 39.134 38.487 -0.304 0.000 1.144 338 N HN 0.620 nan 8.380 nan 0.000 0.500 339 W N 0.945 122.198 121.300 -0.077 0.000 2.519 339 W HA 0.054 4.715 4.660 0.001 0.000 0.266 339 W C 0.873 177.371 176.519 -0.035 0.000 1.253 339 W CA -0.134 57.183 57.345 -0.046 0.000 1.274 339 W CB 0.152 29.591 29.460 -0.035 0.000 1.114 339 W HN 0.499 nan 8.180 nan 0.000 0.596 340 D N 0.299 120.781 120.400 0.136 0.000 2.264 340 D HA -0.051 4.589 4.640 -0.000 0.000 0.208 340 D C 0.607 176.924 176.300 0.029 0.000 0.966 340 D CA 0.749 54.793 54.000 0.073 0.000 0.864 340 D CB -0.226 40.598 40.800 0.040 0.000 0.933 340 D HN 0.061 nan 8.370 nan 0.000 0.499 341 L N 2.627 123.842 121.223 -0.014 0.000 2.315 341 L HA 0.159 4.498 4.340 -0.000 0.000 0.283 341 L C -1.617 175.257 176.870 0.006 0.000 1.089 341 L CA -1.190 53.633 54.840 -0.030 0.000 0.833 341 L CB 1.194 43.198 42.059 -0.091 0.000 1.170 341 L HN -0.232 nan 8.230 nan 0.000 0.442 342 P HA -0.115 nan 4.420 nan 0.000 0.219 342 P C 1.004 178.343 177.300 0.065 0.000 1.154 342 P CA 0.762 63.901 63.100 0.064 0.000 0.826 342 P CB 0.225 31.959 31.700 0.057 0.000 0.795 343 Q N 0.777 120.603 119.800 0.044 0.000 2.028 343 Q HA -0.238 4.102 4.340 -0.000 0.000 0.213 343 Q C 2.191 178.242 176.000 0.085 0.000 1.017 343 Q CA 2.576 58.413 55.803 0.056 0.000 0.875 343 Q CB -0.610 28.149 28.738 0.035 0.000 0.962 343 Q HN 0.591 nan 8.270 nan 0.000 0.413 344 E N -0.439 119.788 120.200 0.044 0.000 2.299 344 E HA 0.049 4.399 4.350 -0.000 0.000 0.193 344 E C 1.934 178.585 176.600 0.085 0.000 0.998 344 E CA 0.685 57.133 56.400 0.080 0.000 0.851 344 E CB -0.132 29.484 29.700 -0.141 0.000 0.795 344 E HN 0.252 nan 8.360 nan 0.000 0.492 345 A N 2.790 125.643 122.820 0.056 0.000 1.873 345 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 345 A C 2.278 180.009 177.584 0.246 0.000 1.193 345 A CA 2.055 54.211 52.037 0.199 0.000 0.629 345 A CB -0.703 18.460 19.000 0.272 0.000 0.826 345 A HN 0.268 nan 8.150 nan 0.000 0.447 346 K N -0.560 119.950 120.400 0.182 0.000 2.063 346 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 346 K C 2.220 178.928 176.600 0.181 0.000 1.048 346 K CA 1.907 58.291 56.287 0.163 0.000 0.928 346 K CB -0.261 32.314 32.500 0.125 0.000 0.713 346 K HN 0.681 nan 8.250 nan 0.000 0.442 347 Q N -0.229 119.697 119.800 0.210 0.000 2.046 347 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 347 Q C 2.204 178.365 176.000 0.268 0.000 0.975 347 Q CA 1.299 57.242 55.803 0.233 0.000 0.836 347 Q CB -0.179 28.747 28.738 0.313 0.000 0.896 347 Q HN 0.437 nan 8.270 nan 0.000 0.428 348 A N 1.367 124.399 122.820 0.354 0.000 1.903 348 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 348 A C 2.089 179.883 177.584 0.351 0.000 1.191 348 A CA 1.502 53.789 52.037 0.417 0.000 0.638 348 A CB -0.941 18.194 19.000 0.226 0.000 0.823 348 A HN 0.322 nan 8.150 nan 0.000 0.451 349 L N -1.230 120.162 121.223 0.283 0.000 2.083 349 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 349 L C 2.584 179.538 176.870 0.140 0.000 1.083 349 L CA 1.708 56.660 54.840 0.187 0.000 0.752 349 L CB -0.766 41.391 42.059 0.162 0.000 0.899 349 L HN 0.493 nan 8.230 nan 0.000 0.433 350 E N 0.324 120.608 120.200 0.139 0.000 2.058 350 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 350 E C 2.276 178.915 176.600 0.066 0.000 0.997 350 E CA 1.261 57.719 56.400 0.097 0.000 0.801 350 E CB -0.103 29.653 29.700 0.093 0.000 0.746 350 E HN 0.341 nan 8.360 nan 0.000 0.450 351 L N 0.222 121.481 121.223 0.060 0.000 2.109 351 L HA -0.143 4.196 4.340 -0.000 0.000 0.207 351 L C 2.249 179.246 176.870 0.212 0.000 1.086 351 L CA 0.419 55.274 54.840 0.024 0.000 0.760 351 L CB -0.279 41.714 42.059 -0.109 0.000 0.910 351 L HN 0.179 nan 8.230 nan 0.000 0.437 352 L N 0.087 121.416 121.223 0.176 0.000 2.013 352 L HA -0.169 4.170 4.340 -0.000 0.000 0.212 352 L C 2.311 179.219 176.870 0.063 0.000 1.073 352 L CA 2.269 57.117 54.840 0.013 0.000 0.753 352 L CB -1.323 40.641 42.059 -0.159 0.000 0.890 352 L HN 0.234 nan 8.230 nan 0.000 0.432 353 G N -1.428 107.427 108.800 0.092 0.000 2.471 353 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.219 353 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.219 353 G C 1.466 176.432 174.900 0.111 0.000 1.125 353 G CA 0.472 45.643 45.100 0.119 0.000 0.775 353 G HN 0.296 nan 8.290 nan 0.000 0.548 354 K N -0.878 119.576 120.400 0.089 0.000 2.361 354 K HA 0.114 4.433 4.320 -0.000 0.000 0.194 354 K C 0.538 177.151 176.600 0.021 0.000 1.032 354 K CA -0.678 55.624 56.287 0.026 0.000 1.048 354 K CB 0.116 32.586 32.500 -0.050 0.000 0.842 354 K HN 0.320 nan 8.250 nan 0.000 0.526 355 W N 2.899 124.164 121.300 -0.059 0.000 2.202 355 W HA 0.118 4.777 4.660 -0.001 0.000 0.332 355 W C 0.371 176.888 176.519 -0.003 0.000 1.263 355 W CA -0.423 56.884 57.345 -0.064 0.000 1.223 355 W CB 0.469 29.881 29.460 -0.081 0.000 1.128 355 W HN -0.141 nan 8.180 nan 0.000 0.573 356 K N 6.488 127.012 120.400 0.206 0.000 2.419 356 K HA 0.119 4.439 4.320 -0.000 0.000 0.282 356 K C -2.262 174.509 176.600 0.284 0.000 1.056 356 K CA -1.078 55.316 56.287 0.178 0.000 1.035 356 K CB -1.286 31.268 32.500 0.091 0.000 0.921 356 K HN 0.206 nan 8.250 nan 0.000 0.472 357 P HA -0.120 nan 4.420 nan 0.000 0.263 357 P C 0.108 177.500 177.300 0.154 0.000 1.162 357 P CA 0.408 63.621 63.100 0.188 0.000 0.758 357 P CB 0.196 31.941 31.700 0.076 0.000 0.773 358 M N 1.394 121.087 119.600 0.156 0.000 2.291 358 M HA 0.340 4.820 4.480 -0.000 0.000 0.324 358 M C -0.217 176.105 176.300 0.036 0.000 1.148 358 M CA -0.341 55.017 55.300 0.096 0.000 1.104 358 M CB 0.670 33.321 32.600 0.084 0.000 1.483 358 M HN 0.069 nan 8.290 nan 0.000 0.467 359 D N 2.104 122.520 120.400 0.028 0.000 2.443 359 D HA 0.018 4.658 4.640 -0.000 0.000 0.239 359 D C 1.351 177.647 176.300 -0.007 0.000 1.136 359 D CA -0.044 53.965 54.000 0.015 0.000 0.879 359 D CB 1.405 42.219 40.800 0.023 0.000 1.195 359 D HN 0.571 nan 8.370 nan 0.000 0.443 360 V N 2.706 122.617 119.914 -0.005 0.000 2.231 360 V HA -0.322 3.798 4.120 -0.000 0.000 0.250 360 V C 2.495 178.560 176.094 -0.050 0.000 1.058 360 V CA 2.348 64.639 62.300 -0.015 0.000 1.022 360 V CB -0.606 31.244 31.823 0.046 0.000 0.640 360 V HN 0.750 nan 8.190 nan 0.000 0.445 361 E N 0.226 120.405 120.200 -0.034 0.000 2.113 361 E HA -0.370 3.979 4.350 -0.000 0.000 0.210 361 E C 1.789 178.330 176.600 -0.098 0.000 1.040 361 E CA 2.349 58.694 56.400 -0.092 0.000 0.847 361 E CB -0.392 29.303 29.700 -0.008 0.000 0.755 361 E HN 0.679 nan 8.360 nan 0.000 0.459 362 D N -0.268 120.102 120.400 -0.051 0.000 2.347 362 D HA -0.065 4.574 4.640 -0.000 0.000 0.215 362 D C 2.004 178.266 176.300 -0.062 0.000 0.976 362 D CA 1.091 55.065 54.000 -0.043 0.000 0.884 362 D CB 0.097 40.884 40.800 -0.020 0.000 0.915 362 D HN 0.279 nan 8.370 nan 0.000 0.526 363 S N 0.053 115.707 115.700 -0.077 0.000 2.470 363 S HA -0.001 4.469 4.470 -0.000 0.000 0.225 363 S C 2.143 176.679 174.600 -0.106 0.000 1.006 363 S CA -0.023 58.123 58.200 -0.090 0.000 0.934 363 S CB -0.273 62.866 63.200 -0.101 0.000 0.778 363 S HN 0.173 nan 8.310 nan 0.000 0.517 364 L N 1.352 122.500 121.223 -0.125 0.000 2.187 364 L HA -0.087 4.253 4.340 -0.000 0.000 0.213 364 L C 2.902 179.740 176.870 -0.053 0.000 1.100 364 L CA 1.828 56.598 54.840 -0.117 0.000 0.765 364 L CB -0.518 41.417 42.059 -0.207 0.000 0.904 364 L HN 0.483 nan 8.230 nan 0.000 0.437 365 E N 0.085 120.258 120.200 -0.046 0.000 2.153 365 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 365 E C 1.898 178.504 176.600 0.010 0.000 0.988 365 E CA 0.809 57.220 56.400 0.018 0.000 0.811 365 E CB 0.183 29.894 29.700 0.019 0.000 0.746 365 E HN 0.283 nan 8.360 nan 0.000 0.466 366 L N 0.381 121.504 121.223 -0.167 0.000 2.492 366 L HA 0.006 4.346 4.340 -0.000 0.000 0.223 366 L C 1.676 178.470 176.870 -0.128 0.000 1.132 366 L CA 0.979 55.584 54.840 -0.391 0.000 0.850 366 L CB -0.170 41.649 42.059 -0.400 0.000 0.966 366 L HN 0.209 nan 8.230 nan 0.000 0.454 367 L N -1.386 119.827 121.223 -0.016 0.000 2.607 367 L HA 0.134 4.473 4.340 -0.000 0.000 0.228 367 L C 1.186 178.130 176.870 0.122 0.000 1.123 367 L CA -0.190 54.685 54.840 0.058 0.000 0.890 367 L CB -0.220 41.874 42.059 0.058 0.000 1.103 367 L HN 0.193 nan 8.230 nan 0.000 0.468 368 S N -1.213 114.528 115.700 0.067 0.000 2.624 368 S HA 0.071 4.541 4.470 -0.000 0.000 0.263 368 S C 1.496 175.848 174.600 -0.415 0.000 1.287 368 S CA -0.114 57.993 58.200 -0.154 0.000 0.990 368 S CB 1.296 64.470 63.200 -0.044 0.000 0.950 368 S HN 0.284 nan 8.310 nan 0.000 0.561 369 S N 0.133 115.181 115.700 -1.086 0.000 2.440 369 S HA -0.243 4.227 4.470 -0.000 0.000 0.240 369 S C 1.426 175.741 174.600 -0.475 0.000 1.014 369 S CA 1.286 58.959 58.200 -0.877 0.000 0.980 369 S CB -1.079 61.548 63.200 -0.954 0.000 0.775 369 S HN 0.825 nan 8.310 nan 0.000 0.499 370 H N 0.122 119.031 119.070 -0.269 0.000 2.457 370 H HA 0.113 4.668 4.556 -0.000 0.000 0.294 370 H C -0.216 174.850 175.328 -0.436 0.000 1.064 370 H CA 0.863 56.711 56.048 -0.334 0.000 1.330 370 H CB -0.239 29.286 29.762 -0.396 0.000 1.395 370 H HN 0.562 nan 8.280 nan 0.000 0.541 371 Y N 0.338 120.602 120.300 -0.060 0.000 2.335 371 Y HA 0.210 4.761 4.550 0.000 0.000 0.338 371 Y C 1.192 176.976 175.900 -0.193 0.000 0.977 371 Y CA -0.422 57.589 58.100 -0.148 0.000 1.114 371 Y CB 1.790 40.158 38.460 -0.155 0.000 1.182 371 Y HN -0.046 nan 8.280 nan 0.000 0.463 372 T N -2.551 111.923 114.554 -0.134 0.000 2.986 372 T HA 0.075 4.425 4.350 -0.000 0.000 0.264 372 T C 0.343 174.922 174.700 -0.201 0.000 0.964 372 T CA -0.408 61.614 62.100 -0.129 0.000 0.895 372 T CB -0.033 68.774 68.868 -0.101 0.000 1.163 372 T HN 0.488 nan 8.240 nan 0.000 0.517 373 N N 3.528 121.989 118.700 -0.398 0.000 2.365 373 N HA 0.040 4.779 4.740 -0.000 0.000 0.265 373 N C -1.758 173.595 175.510 -0.260 0.000 1.288 373 N CA -0.839 51.940 53.050 -0.451 0.000 0.869 373 N CB 1.464 39.366 38.487 -0.974 0.000 1.071 373 N HN 0.087 nan 8.380 nan 0.000 0.480 374 P HA -0.088 nan 4.420 nan 0.000 0.215 374 P C 1.013 178.268 177.300 -0.074 0.000 1.153 374 P CA 1.579 64.628 63.100 -0.085 0.000 0.853 374 P CB 0.163 31.835 31.700 -0.047 0.000 0.788 375 T N -1.100 113.408 114.554 -0.077 0.000 2.867 375 T HA -0.074 4.275 4.350 -0.000 0.000 0.268 375 T C 1.858 176.529 174.700 -0.048 0.000 1.057 375 T CA 0.901 62.980 62.100 -0.035 0.000 1.136 375 T CB -0.974 67.891 68.868 -0.005 0.000 0.874 375 T HN -0.101 nan 8.240 nan 0.000 0.466 376 V N 1.877 121.698 119.914 -0.155 0.000 2.358 376 V HA -0.154 3.966 4.120 -0.000 0.000 0.246 376 V C 2.744 178.771 176.094 -0.112 0.000 1.047 376 V CA 1.426 63.614 62.300 -0.186 0.000 1.035 376 V CB -0.429 31.180 31.823 -0.357 0.000 0.658 376 V HN 0.383 nan 8.190 nan 0.000 0.452 377 R N 0.237 120.670 120.500 -0.112 0.000 2.080 377 R HA -0.145 4.195 4.340 -0.000 0.000 0.236 377 R C 2.344 178.620 176.300 -0.040 0.000 1.137 377 R CA 1.521 57.580 56.100 -0.069 0.000 0.943 377 R CB -0.773 29.502 30.300 -0.041 0.000 0.846 377 R HN 0.452 nan 8.270 nan 0.000 0.431 378 R N -0.219 120.267 120.500 -0.022 0.000 2.091 378 R HA -0.177 4.162 4.340 -0.000 0.000 0.238 378 R C 2.284 178.571 176.300 -0.022 0.000 1.136 378 R CA 1.602 57.690 56.100 -0.020 0.000 0.959 378 R CB -0.544 29.756 30.300 -0.000 0.000 0.856 378 R HN 0.246 nan 8.270 nan 0.000 0.437 379 Y N 1.077 121.316 120.300 -0.100 0.000 2.114 379 Y HA -0.338 4.212 4.550 0.001 0.000 0.282 379 Y C 2.274 178.093 175.900 -0.135 0.000 1.165 379 Y CA 1.688 59.727 58.100 -0.103 0.000 1.148 379 Y CB -0.441 37.962 38.460 -0.094 0.000 0.972 379 Y HN 0.111 nan 8.280 nan 0.000 0.504 380 A N -0.664 122.157 122.820 0.001 0.000 1.892 380 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 380 A C 2.281 179.735 177.584 -0.217 0.000 1.188 380 A CA 2.338 54.314 52.037 -0.103 0.000 0.631 380 A CB -1.385 17.560 19.000 -0.090 0.000 0.822 380 A HN 0.354 nan 8.150 nan 0.000 0.447 381 V N -0.627 119.152 119.914 -0.225 0.000 2.809 381 V HA -0.115 4.005 4.120 -0.000 0.000 0.256 381 V C 2.801 178.594 176.094 -0.500 0.000 1.080 381 V CA 1.556 63.634 62.300 -0.371 0.000 1.102 381 V CB -0.817 30.858 31.823 -0.247 0.000 0.705 381 V HN 0.628 nan 8.190 nan 0.000 0.475 382 A N -0.159 122.436 122.820 -0.374 0.000 1.975 382 A HA -0.031 4.289 4.320 -0.000 0.000 0.215 382 A C 2.337 179.701 177.584 -0.366 0.000 1.170 382 A CA 0.677 52.506 52.037 -0.348 0.000 0.656 382 A CB -0.184 18.631 19.000 -0.308 0.000 0.821 382 A HN 0.410 nan 8.150 nan 0.000 0.449 383 R N -0.619 119.630 120.500 -0.418 0.000 2.173 383 R HA 0.197 4.537 4.340 -0.000 0.000 0.208 383 R C 1.892 178.054 176.300 -0.231 0.000 1.035 383 R CA 0.301 56.203 56.100 -0.330 0.000 1.004 383 R CB -0.621 29.456 30.300 -0.371 0.000 0.917 383 R HN 0.488 nan 8.270 nan 0.000 0.462 384 L N 0.933 121.985 121.223 -0.285 0.000 2.083 384 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 384 L C 2.710 179.451 176.870 -0.215 0.000 1.083 384 L CA 1.188 55.891 54.840 -0.227 0.000 0.752 384 L CB -0.228 41.643 42.059 -0.314 0.000 0.899 384 L HN 0.131 nan 8.230 nan 0.000 0.433 385 R N -0.645 119.604 120.500 -0.417 0.000 2.152 385 R HA -0.180 4.160 4.340 -0.000 0.000 0.232 385 R C 2.130 178.433 176.300 0.004 0.000 1.117 385 R CA 1.082 57.067 56.100 -0.192 0.000 0.981 385 R CB 0.111 30.280 30.300 -0.218 0.000 0.870 385 R HN 0.469 nan 8.270 nan 0.000 0.451 386 Q N -0.001 119.769 119.800 -0.051 0.000 2.123 386 Q HA 0.068 4.407 4.340 -0.000 0.000 0.199 386 Q C 0.719 176.731 176.000 0.020 0.000 0.966 386 Q CA 0.818 56.611 55.803 -0.016 0.000 0.845 386 Q CB -0.308 28.404 28.738 -0.043 0.000 0.907 386 Q HN 0.271 nan 8.270 nan 0.000 0.439 387 A N 3.253 126.096 122.820 0.038 0.000 2.555 387 A HA 0.014 4.334 4.320 -0.000 0.000 0.233 387 A C 0.444 178.070 177.584 0.069 0.000 1.060 387 A CA 0.200 52.279 52.037 0.069 0.000 0.759 387 A CB -0.033 19.044 19.000 0.128 0.000 0.995 387 A HN 0.348 nan 8.150 nan 0.000 0.506 388 D N 0.585 121.006 120.400 0.034 0.000 2.466 388 D HA 0.120 4.760 4.640 -0.000 0.000 0.262 388 D C -0.339 175.961 176.300 -0.000 0.000 1.177 388 D CA -0.431 53.580 54.000 0.019 0.000 1.035 388 D CB 0.535 41.335 40.800 -0.001 0.000 1.105 388 D HN 0.424 nan 8.370 nan 0.000 0.551 389 D N 0.023 120.415 120.400 -0.012 0.000 2.092 389 D HA -0.201 4.439 4.640 -0.000 0.000 0.193 389 D C 1.646 177.903 176.300 -0.071 0.000 0.994 389 D CA 1.354 55.334 54.000 -0.033 0.000 0.828 389 D CB -0.217 40.565 40.800 -0.029 0.000 0.963 389 D HN 0.666 nan 8.370 nan 0.000 0.450 390 E N 0.353 120.507 120.200 -0.076 0.000 2.070 390 E HA -0.202 4.148 4.350 -0.000 0.000 0.197 390 E C 1.483 177.974 176.600 -0.182 0.000 1.004 390 E CA 1.390 57.725 56.400 -0.109 0.000 0.805 390 E CB 0.197 29.844 29.700 -0.088 0.000 0.744 390 E HN 0.151 nan 8.360 nan 0.000 0.451 391 D N 0.099 120.383 120.400 -0.195 0.000 2.103 391 D HA -0.134 4.505 4.640 -0.000 0.000 0.199 391 D C 2.046 178.020 176.300 -0.543 0.000 0.978 391 D CA 0.498 54.283 54.000 -0.358 0.000 0.829 391 D CB -0.300 40.373 40.800 -0.211 0.000 0.981 391 D HN 0.150 nan 8.370 nan 0.000 0.464 392 L N 1.162 122.246 121.223 -0.231 0.000 2.089 392 L HA -0.166 4.173 4.340 -0.000 0.000 0.213 392 L C 2.320 179.103 176.870 -0.145 0.000 1.079 392 L CA 1.196 55.983 54.840 -0.089 0.000 0.758 392 L CB -0.563 41.519 42.059 0.038 0.000 0.891 392 L HN 0.060 nan 8.230 nan 0.000 0.433 393 L N -1.656 119.455 121.223 -0.187 0.000 2.093 393 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 393 L C 2.410 179.142 176.870 -0.230 0.000 1.085 393 L CA 1.295 56.028 54.840 -0.179 0.000 0.755 393 L CB -0.115 41.832 42.059 -0.187 0.000 0.904 393 L HN 0.342 nan 8.230 nan 0.000 0.435 394 M N -1.726 117.655 119.600 -0.365 0.000 2.279 394 M HA -0.203 4.277 4.480 -0.000 0.000 0.264 394 M C 1.087 177.277 176.300 -0.183 0.000 1.062 394 M CA 1.554 56.645 55.300 -0.348 0.000 1.099 394 M CB -0.264 32.052 32.600 -0.473 0.000 1.394 394 M HN 0.180 nan 8.290 nan 0.000 0.426 395 Y N -1.112 119.157 120.300 -0.051 0.000 2.458 395 Y HA 0.190 4.740 4.550 -0.001 0.000 0.256 395 Y C 1.644 177.532 175.900 -0.020 0.000 1.159 395 Y CA -0.674 57.400 58.100 -0.042 0.000 1.261 395 Y CB -0.695 37.756 38.460 -0.015 0.000 1.119 395 Y HN 0.064 nan 8.280 nan 0.000 0.524 396 L N 0.068 121.358 121.223 0.111 0.000 2.046 396 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 396 L C 2.149 179.054 176.870 0.058 0.000 1.077 396 L CA 1.371 56.301 54.840 0.150 0.000 0.747 396 L CB -0.888 41.317 42.059 0.242 0.000 0.896 396 L HN 0.254 nan 8.230 nan 0.000 0.432 397 L N -0.540 120.591 121.223 -0.153 0.000 1.971 397 L HA -0.288 4.052 4.340 -0.000 0.000 0.215 397 L C 2.530 179.243 176.870 -0.261 0.000 1.072 397 L CA 1.946 56.444 54.840 -0.569 0.000 0.758 397 L CB -0.959 40.761 42.059 -0.565 0.000 0.889 397 L HN 0.365 nan 8.230 nan 0.000 0.433 398 Q N -0.926 118.796 119.800 -0.130 0.000 2.170 398 Q HA -0.137 4.203 4.340 -0.000 0.000 0.203 398 Q C 2.248 178.252 176.000 0.006 0.000 0.976 398 Q CA 1.582 57.350 55.803 -0.058 0.000 0.858 398 Q CB -0.322 28.391 28.738 -0.041 0.000 0.907 398 Q HN 0.507 nan 8.270 nan 0.000 0.433 399 L N -0.736 120.513 121.223 0.042 0.000 2.156 399 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 399 L C 1.957 178.873 176.870 0.077 0.000 1.095 399 L CA 0.488 55.378 54.840 0.083 0.000 0.770 399 L CB -0.210 41.929 42.059 0.132 0.000 0.914 399 L HN 0.128 nan 8.230 nan 0.000 0.439 400 V N -0.641 119.311 119.914 0.063 0.000 2.427 400 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 400 V C 2.413 178.585 176.094 0.130 0.000 1.051 400 V CA 1.401 63.764 62.300 0.106 0.000 1.048 400 V CB -0.377 31.498 31.823 0.088 0.000 0.666 400 V HN 0.489 nan 8.190 nan 0.000 0.456 401 Q N -0.344 119.479 119.800 0.039 0.000 2.245 401 Q HA 0.060 4.400 4.340 -0.000 0.000 0.201 401 Q C 2.373 178.332 176.000 -0.068 0.000 0.955 401 Q CA 1.328 57.140 55.803 0.015 0.000 0.870 401 Q CB -0.345 28.381 28.738 -0.019 0.000 0.945 401 Q HN 0.638 nan 8.270 nan 0.000 0.461 402 A N 0.966 123.788 122.820 0.004 0.000 2.067 402 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 402 A C 2.138 179.684 177.584 -0.063 0.000 1.158 402 A CA 0.625 52.688 52.037 0.042 0.000 0.661 402 A CB -0.604 18.484 19.000 0.147 0.000 0.801 402 A HN 0.290 nan 8.150 nan 0.000 0.452 403 L N -0.520 120.671 121.223 -0.053 0.000 2.187 403 L HA -0.222 4.117 4.340 -0.000 0.000 0.213 403 L C 2.283 179.042 176.870 -0.185 0.000 1.100 403 L CA 1.413 56.188 54.840 -0.109 0.000 0.765 403 L CB -0.387 41.571 42.059 -0.169 0.000 0.904 403 L HN 0.369 nan 8.230 nan 0.000 0.437 404 K N -0.603 119.622 120.400 -0.292 0.000 2.360 404 K HA -0.169 4.150 4.320 -0.000 0.000 0.201 404 K C 1.065 177.565 176.600 -0.166 0.000 1.046 404 K CA 1.204 57.334 56.287 -0.261 0.000 0.940 404 K CB -0.076 32.151 32.500 -0.454 0.000 0.748 404 K HN 0.354 nan 8.250 nan 0.000 0.465 405 Y N 0.789 121.157 120.300 0.113 0.000 2.467 405 Y HA 0.211 4.761 4.550 -0.001 0.000 0.250 405 Y C 0.637 176.569 175.900 0.053 0.000 1.155 405 Y CA -0.497 57.635 58.100 0.053 0.000 1.249 405 Y CB 0.087 38.557 38.460 0.016 0.000 1.146 405 Y HN -0.121 nan 8.280 nan 0.000 0.524 406 E N 0.916 121.230 120.200 0.189 0.000 2.351 406 E HA 0.024 4.374 4.350 -0.000 0.000 0.255 406 E C -0.185 176.532 176.600 0.194 0.000 1.188 406 E CA -0.468 56.020 56.400 0.147 0.000 0.940 406 E CB 0.670 30.425 29.700 0.091 0.000 1.094 406 E HN 0.088 nan 8.360 nan 0.000 0.474 407 N N 1.477 120.256 118.700 0.132 0.000 2.420 407 N HA -0.023 4.716 4.740 -0.000 0.000 0.262 407 N C 0.363 176.021 175.510 0.247 0.000 1.144 407 N CA 0.007 53.130 53.050 0.122 0.000 0.952 407 N CB 0.185 38.703 38.487 0.052 0.000 1.081 407 N HN 0.212 nan 8.380 nan 0.000 0.480 408 F N 1.851 121.774 119.950 -0.046 0.000 2.293 408 F HA -0.053 4.474 4.527 0.000 0.000 0.300 408 F C 1.858 177.632 175.800 -0.044 0.000 1.086 408 F CA 0.468 58.432 58.000 -0.060 0.000 1.375 408 F CB -0.157 38.808 39.000 -0.057 0.000 1.045 408 F HN 0.487 nan 8.300 nan 0.000 0.516 409 D N -0.082 120.418 120.400 0.168 0.000 2.224 409 D HA -0.116 4.524 4.640 -0.000 0.000 0.205 409 D C 1.664 177.996 176.300 0.053 0.000 0.965 409 D CA 0.977 55.027 54.000 0.085 0.000 0.852 409 D CB -0.164 40.670 40.800 0.057 0.000 0.947 409 D HN 0.223 nan 8.370 nan 0.000 0.494 410 D N 0.491 120.925 120.400 0.057 0.000 2.120 410 D HA -0.005 4.635 4.640 -0.000 0.000 0.202 410 D C 2.289 178.599 176.300 0.017 0.000 0.972 410 D CA 0.247 54.268 54.000 0.035 0.000 0.837 410 D CB -0.170 40.652 40.800 0.037 0.000 0.989 410 D HN 0.221 nan 8.370 nan 0.000 0.469 411 I N 0.815 121.389 120.570 0.006 0.000 2.335 411 I HA -0.251 3.919 4.170 -0.000 0.000 0.251 411 I C 2.321 178.407 176.117 -0.052 0.000 1.129 411 I CA 1.045 62.316 61.300 -0.047 0.000 1.402 411 I CB -0.117 37.803 38.000 -0.134 0.000 1.069 411 I HN -0.001 nan 8.210 nan 0.000 0.424 412 K N 0.661 121.040 120.400 -0.035 0.000 2.186 412 K HA -0.088 4.232 4.320 -0.000 0.000 0.202 412 K C 1.650 178.245 176.600 -0.008 0.000 1.052 412 K CA 1.157 57.427 56.287 -0.028 0.000 0.965 412 K CB 0.211 32.703 32.500 -0.014 0.000 0.746 412 K HN 0.262 nan 8.250 nan 0.000 0.457 413 N N -0.543 118.159 118.700 0.003 0.000 2.571 413 N HA 0.122 4.862 4.740 -0.000 0.000 0.195 413 N C 0.842 176.358 175.510 0.010 0.000 1.040 413 N CA 1.074 54.128 53.050 0.008 0.000 0.890 413 N CB 0.768 39.263 38.487 0.014 0.000 1.233 413 N HN 0.357 nan 8.380 nan 0.000 0.435 414 G N 1.352 110.160 108.800 0.012 0.000 2.484 414 G HA2 -0.127 3.832 3.960 -0.000 0.000 0.225 414 G HA3 -0.127 3.832 3.960 -0.000 0.000 0.225 414 G C -0.329 174.582 174.900 0.018 0.000 1.250 414 G CA -0.206 44.903 45.100 0.016 0.000 0.926 414 G HN 0.637 nan 8.290 nan 0.000 0.581 472 E N -0.498 119.706 120.200 0.007 0.000 2.548 472 E HA 0.219 4.568 4.350 -0.000 0.000 0.206 472 E C 0.018 176.633 176.600 0.025 0.000 1.005 472 E CA -0.213 56.197 56.400 0.017 0.000 0.951 472 E CB 1.040 30.752 29.700 0.020 0.000 1.035 472 E HN 0.435 nan 8.360 nan 0.000 0.470 473 Q N 1.768 121.581 119.800 0.021 0.000 2.372 473 Q HA 0.225 4.564 4.340 -0.000 0.000 0.273 473 Q C -1.192 174.827 176.000 0.032 0.000 1.078 473 Q CA -0.814 55.016 55.803 0.045 0.000 0.806 473 Q CB 2.187 30.975 28.738 0.083 0.000 1.332 473 Q HN 0.159 nan 8.270 nan 0.000 0.435 474 D N 0.593 121.025 120.400 0.053 0.000 2.494 474 D HA 0.113 4.753 4.640 -0.000 0.000 0.259 474 D C 0.764 177.117 176.300 0.089 0.000 1.109 474 D CA -0.786 53.241 54.000 0.045 0.000 1.040 474 D CB 0.818 41.640 40.800 0.036 0.000 1.175 474 D HN 0.382 nan 8.370 nan 0.000 0.584 475 L N 0.105 121.376 121.223 0.081 0.000 2.127 475 L HA -0.113 4.227 4.340 -0.000 0.000 0.211 475 L C 2.042 179.004 176.870 0.153 0.000 1.089 475 L CA 1.699 56.621 54.840 0.137 0.000 0.757 475 L CB -0.506 41.611 42.059 0.097 0.000 0.899 475 L HN 0.745 nan 8.230 nan 0.000 0.434 476 C N -1.809 117.537 119.300 0.077 0.000 2.519 476 C HA -0.028 4.432 4.460 -0.000 0.000 0.281 476 C C 2.668 177.675 174.990 0.028 0.000 1.331 476 C CA 0.943 59.977 59.018 0.026 0.000 1.725 476 C CB -0.829 26.903 27.740 -0.014 0.000 2.079 476 C HN 0.624 nan 8.230 nan 0.000 0.496 477 T N 1.124 115.713 114.554 0.059 0.000 2.684 477 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 477 T C 1.404 176.151 174.700 0.078 0.000 1.036 477 T CA 2.110 64.247 62.100 0.062 0.000 1.148 477 T CB -0.642 68.269 68.868 0.072 0.000 0.863 477 T HN 0.641 nan 8.240 nan 0.000 0.436 478 F N 1.813 121.755 119.950 -0.013 0.000 2.069 478 F HA -0.080 4.446 4.527 -0.002 0.000 0.298 478 F C 1.972 177.759 175.800 -0.022 0.000 1.113 478 F CA 1.200 59.192 58.000 -0.014 0.000 1.214 478 F CB -0.704 38.288 39.000 -0.014 0.000 0.978 478 F HN 0.055 nan 8.300 nan 0.000 0.474 479 L N -0.097 120.934 121.223 -0.321 0.000 2.046 479 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 479 L C 2.557 179.210 176.870 -0.362 0.000 1.077 479 L CA 1.426 56.009 54.840 -0.428 0.000 0.747 479 L CB -0.601 41.351 42.059 -0.177 0.000 0.896 479 L HN 0.236 nan 8.230 nan 0.000 0.432 480 I N -1.389 119.037 120.570 -0.240 0.000 2.252 480 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 480 I C 2.795 178.854 176.117 -0.096 0.000 1.102 480 I CA 1.102 62.298 61.300 -0.173 0.000 1.385 480 I CB -0.234 37.748 38.000 -0.029 0.000 1.064 480 I HN 0.181 nan 8.210 nan 0.000 0.414 481 S N 0.574 116.210 115.700 -0.106 0.000 2.356 481 S HA -0.165 4.305 4.470 -0.000 0.000 0.223 481 S C 2.264 176.799 174.600 -0.108 0.000 1.032 481 S CA 1.299 59.459 58.200 -0.066 0.000 1.005 481 S CB -0.097 63.087 63.200 -0.026 0.000 0.867 481 S HN 0.253 nan 8.310 nan 0.000 0.449 482 R N 0.941 121.293 120.500 -0.246 0.000 2.075 482 R HA 0.094 4.434 4.340 -0.000 0.000 0.232 482 R C 2.468 178.679 176.300 -0.148 0.000 1.126 482 R CA 1.242 57.200 56.100 -0.235 0.000 0.963 482 R CB -1.289 28.745 30.300 -0.443 0.000 0.858 482 R HN 0.502 nan 8.270 nan 0.000 0.435 483 A N 0.190 122.913 122.820 -0.162 0.000 2.070 483 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 483 A C 2.437 180.043 177.584 0.035 0.000 1.159 483 A CA 1.288 53.278 52.037 -0.077 0.000 0.656 483 A CB -0.661 18.233 19.000 -0.178 0.000 0.800 483 A HN 0.381 nan 8.150 nan 0.000 0.453 484 C N -0.724 118.598 119.300 0.037 0.000 2.448 484 C HA 0.033 4.493 4.460 -0.000 0.000 0.280 484 C C 2.325 177.324 174.990 0.014 0.000 1.398 484 C CA 0.988 60.038 59.018 0.052 0.000 1.774 484 C CB -0.836 26.931 27.740 0.044 0.000 1.888 484 C HN 0.563 nan 8.230 nan 0.000 0.519 485 K N 0.300 120.696 120.400 -0.006 0.000 2.374 485 K HA 0.077 4.396 4.320 -0.000 0.000 0.196 485 K C 0.181 176.774 176.600 -0.012 0.000 1.023 485 K CA 0.262 56.542 56.287 -0.011 0.000 1.103 485 K CB 0.102 32.593 32.500 -0.015 0.000 0.848 485 K HN 0.300 nan 8.250 nan 0.000 0.528 486 N N 0.231 118.925 118.700 -0.010 0.000 2.629 486 N HA -0.010 4.730 4.740 -0.000 0.000 0.277 486 N C 0.254 175.766 175.510 0.003 0.000 1.188 486 N CA -0.050 52.994 53.050 -0.010 0.000 0.835 486 N CB 1.458 39.933 38.487 -0.020 0.000 1.420 486 N HN -0.056 nan 8.380 nan 0.000 0.542 487 S N 1.324 117.023 115.700 -0.002 0.000 2.419 487 S HA -0.114 4.355 4.470 -0.000 0.000 0.233 487 S C 1.426 176.029 174.600 0.004 0.000 1.016 487 S CA 1.539 59.737 58.200 -0.004 0.000 0.974 487 S CB -0.216 62.968 63.200 -0.027 0.000 0.786 487 S HN 0.484 nan 8.310 nan 0.000 0.492 488 T N 2.561 117.126 114.554 0.018 0.000 2.812 488 T HA 0.188 4.538 4.350 -0.000 0.000 0.264 488 T C 1.688 176.464 174.700 0.127 0.000 1.042 488 T CA 1.120 63.260 62.100 0.066 0.000 1.140 488 T CB -0.432 68.481 68.868 0.076 0.000 0.870 488 T HN 0.284 nan 8.240 nan 0.000 0.445 489 L N 0.778 122.044 121.223 0.072 0.000 2.012 489 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 489 L C 3.020 179.916 176.870 0.044 0.000 1.073 489 L CA 1.368 56.241 54.840 0.054 0.000 0.748 489 L CB -0.676 41.369 42.059 -0.024 0.000 0.891 489 L HN 0.263 nan 8.230 nan 0.000 0.431 490 A N -0.029 122.823 122.820 0.052 0.000 1.948 490 A HA -0.304 4.016 4.320 -0.000 0.000 0.220 490 A C 1.968 179.642 177.584 0.150 0.000 1.177 490 A CA 2.437 54.563 52.037 0.148 0.000 0.636 490 A CB -0.796 18.326 19.000 0.204 0.000 0.815 490 A HN 0.506 nan 8.150 nan 0.000 0.449 491 N N -1.839 116.890 118.700 0.048 0.000 2.080 491 N HA -0.137 4.603 4.740 -0.000 0.000 0.189 491 N C 1.548 177.023 175.510 -0.058 0.000 1.036 491 N CA 1.771 54.804 53.050 -0.029 0.000 0.846 491 N CB -0.339 38.053 38.487 -0.158 0.000 1.015 491 N HN 0.530 nan 8.380 nan 0.000 0.423 492 Y N 0.169 120.449 120.300 -0.033 0.000 2.242 492 Y HA -0.062 4.487 4.550 -0.002 0.000 0.291 492 Y C 1.954 177.662 175.900 -0.320 0.000 1.137 492 Y CA 0.566 58.490 58.100 -0.294 0.000 1.181 492 Y CB -0.563 37.700 38.460 -0.328 0.000 0.989 492 Y HN 0.121 nan 8.280 nan 0.000 0.527 493 L N -0.593 120.639 121.223 0.015 0.000 1.956 493 L HA -0.288 4.052 4.340 -0.000 0.000 0.216 493 L C 2.308 179.177 176.870 -0.002 0.000 1.073 493 L CA 1.960 56.777 54.840 -0.039 0.000 0.762 493 L CB -1.323 40.562 42.059 -0.289 0.000 0.889 493 L HN 0.341 nan 8.230 nan 0.000 0.433 494 Y N -1.273 119.016 120.300 -0.018 0.000 2.114 494 Y HA -0.345 4.204 4.550 -0.001 0.000 0.282 494 Y C 2.141 177.948 175.900 -0.156 0.000 1.165 494 Y CA 2.284 60.387 58.100 0.006 0.000 1.148 494 Y CB -0.704 37.716 38.460 -0.067 0.000 0.972 494 Y HN 0.305 nan 8.280 nan 0.000 0.504 495 W N -1.616 119.679 121.300 -0.009 0.000 2.388 495 W HA -0.206 4.455 4.660 0.002 0.000 0.294 495 W C 2.068 178.562 176.519 -0.041 0.000 1.212 495 W CA 0.929 58.222 57.345 -0.086 0.000 1.271 495 W CB -0.540 28.859 29.460 -0.103 0.000 1.126 495 W HN 0.083 nan 8.180 nan 0.000 0.535 496 Y N -0.645 119.775 120.300 0.200 0.000 2.242 496 Y HA -0.157 4.393 4.550 -0.000 0.000 0.291 496 Y C 2.256 178.122 175.900 -0.056 0.000 1.137 496 Y CA 0.480 58.628 58.100 0.081 0.000 1.181 496 Y CB -1.371 37.137 38.460 0.079 0.000 0.989 496 Y HN -0.218 nan 8.280 nan 0.000 0.527 497 V N -0.736 119.206 119.914 0.046 0.000 2.649 497 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 497 V C 2.297 178.294 176.094 -0.161 0.000 1.054 497 V CA 0.743 62.999 62.300 -0.073 0.000 1.073 497 V CB -0.380 31.438 31.823 -0.008 0.000 0.699 497 V HN 0.238 nan 8.190 nan 0.000 0.463 498 I N 0.074 120.502 120.570 -0.236 0.000 2.163 498 I HA -0.165 4.004 4.170 -0.000 0.000 0.240 498 I C 2.514 178.597 176.117 -0.056 0.000 1.081 498 I CA 1.543 62.704 61.300 -0.231 0.000 1.353 498 I CB -0.835 36.920 38.000 -0.408 0.000 1.054 498 I HN 0.144 nan 8.210 nan 0.000 0.407 499 V N 1.072 121.006 119.914 0.033 0.000 2.453 499 V HA -0.260 3.859 4.120 -0.000 0.000 0.252 499 V C 2.522 178.582 176.094 -0.056 0.000 1.068 499 V CA 1.622 63.945 62.300 0.038 0.000 1.070 499 V CB -0.624 31.260 31.823 0.102 0.000 0.664 499 V HN 0.403 nan 8.190 nan 0.000 0.461 500 E N -0.836 119.259 120.200 -0.176 0.000 2.107 500 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 500 E C 2.257 178.772 176.600 -0.142 0.000 0.982 500 E CA 1.558 57.753 56.400 -0.341 0.000 0.809 500 E CB -0.592 28.515 29.700 -0.988 0.000 0.756 500 E HN 0.638 nan 8.360 nan 0.000 0.459 501 C N 1.171 120.429 119.300 -0.071 0.000 2.432 501 C HA -0.036 4.424 4.460 -0.000 0.000 0.280 501 C C 2.035 177.132 174.990 0.180 0.000 1.353 501 C CA 0.297 59.364 59.018 0.081 0.000 1.766 501 C CB -0.669 27.070 27.740 -0.000 0.000 1.924 501 C HN 0.411 nan 8.230 nan 0.000 0.509 502 E N 0.383 120.632 120.200 0.081 0.000 2.476 502 E HA -0.026 4.324 4.350 -0.000 0.000 0.191 502 E C -0.240 176.384 176.600 0.039 0.000 1.064 502 E CA 0.090 56.536 56.400 0.077 0.000 0.866 502 E CB -0.089 29.655 29.700 0.074 0.000 0.952 502 E HN 0.515 nan 8.360 nan 0.000 0.492 503 D N 1.206 121.623 120.400 0.028 0.000 2.441 503 D HA 0.031 4.671 4.640 -0.000 0.000 0.221 503 D C 0.743 177.020 176.300 -0.038 0.000 1.156 503 D CA 0.059 54.056 54.000 -0.004 0.000 0.896 503 D CB 0.698 41.490 40.800 -0.012 0.000 1.028 503 D HN -0.079 nan 8.370 nan 0.000 0.509 504 Q N 1.812 121.585 119.800 -0.045 0.000 2.364 504 Q HA -0.142 4.198 4.340 -0.000 0.000 0.209 504 Q C 0.790 176.755 176.000 -0.058 0.000 0.977 504 Q CA 0.794 56.553 55.803 -0.073 0.000 0.885 504 Q CB 0.269 28.981 28.738 -0.043 0.000 0.941 504 Q HN 0.505 nan 8.270 nan 0.000 0.464 505 D N -0.369 120.012 120.400 -0.032 0.000 2.097 505 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 505 D C 1.599 177.893 176.300 -0.009 0.000 0.984 505 D CA 1.603 55.593 54.000 -0.017 0.000 0.826 505 D CB 0.139 40.935 40.800 -0.006 0.000 0.973 505 D HN 0.122 nan 8.370 nan 0.000 0.460 506 T N -0.207 114.347 114.554 -0.000 0.000 2.737 506 T HA -0.181 4.169 4.350 -0.000 0.000 0.265 506 T C 1.832 176.543 174.700 0.018 0.000 1.038 506 T CA 1.211 63.336 62.100 0.042 0.000 1.144 506 T CB -0.407 68.519 68.868 0.097 0.000 0.866 506 T HN 0.233 nan 8.240 nan 0.000 0.434 507 Q N 0.767 120.503 119.800 -0.106 0.000 2.062 507 Q HA -0.267 4.073 4.340 -0.000 0.000 0.209 507 Q C 2.457 178.392 176.000 -0.108 0.000 0.996 507 Q CA 1.885 57.519 55.803 -0.283 0.000 0.859 507 Q CB -0.115 28.308 28.738 -0.524 0.000 0.920 507 Q HN 0.556 nan 8.270 nan 0.000 0.415 508 Q N -0.580 119.176 119.800 -0.074 0.000 1.994 508 Q HA -0.102 4.238 4.340 -0.000 0.000 0.198 508 Q C 2.207 178.208 176.000 0.001 0.000 0.976 508 Q CA 1.585 57.371 55.803 -0.029 0.000 0.828 508 Q CB 0.102 28.825 28.738 -0.025 0.000 0.894 508 Q HN 0.263 nan 8.270 nan 0.000 0.432 509 R N -0.168 120.338 120.500 0.009 0.000 2.062 509 R HA -0.023 4.317 4.340 -0.000 0.000 0.229 509 R C 0.080 176.405 176.300 0.042 0.000 1.128 509 R CA 1.069 57.183 56.100 0.024 0.000 0.960 509 R CB 0.192 30.505 30.300 0.022 0.000 0.855 509 R HN 0.070 nan 8.270 nan 0.000 0.432 510 D N -0.616 119.822 120.400 0.063 0.000 2.440 510 D HA 0.182 4.821 4.640 -0.000 0.000 0.252 510 D C -2.104 174.270 176.300 0.124 0.000 1.180 510 D CA -2.554 51.500 54.000 0.092 0.000 0.894 510 D CB 1.724 42.590 40.800 0.111 0.000 1.111 510 D HN -0.214 nan 8.370 nan 0.000 0.544 511 P HA -0.097 nan 4.420 nan 0.000 0.217 511 P C 0.967 178.376 177.300 0.181 0.000 1.150 511 P CA 1.070 64.254 63.100 0.140 0.000 0.832 511 P CB 0.407 32.168 31.700 0.102 0.000 0.787 512 K N -1.286 119.222 120.400 0.180 0.000 2.211 512 K HA -0.028 4.292 4.320 -0.000 0.000 0.203 512 K C 1.998 178.729 176.600 0.219 0.000 1.050 512 K CA 1.287 57.707 56.287 0.223 0.000 0.945 512 K CB -0.545 32.125 32.500 0.283 0.000 0.732 512 K HN 0.100 nan 8.250 nan 0.000 0.451 513 T N -0.137 114.570 114.554 0.255 0.000 2.812 513 T HA -0.154 4.196 4.350 -0.000 0.000 0.264 513 T C 1.597 176.344 174.700 0.078 0.000 1.042 513 T CA 0.912 63.080 62.100 0.114 0.000 1.140 513 T CB -0.235 68.775 68.868 0.237 0.000 0.870 513 T HN 0.377 nan 8.240 nan 0.000 0.445 514 H N 1.277 120.402 119.070 0.091 0.000 2.352 514 H HA -0.084 4.472 4.556 0.001 0.000 0.299 514 H C 2.048 177.401 175.328 0.042 0.000 1.097 514 H CA 1.785 57.895 56.048 0.102 0.000 1.311 514 H CB 0.073 29.877 29.762 0.071 0.000 1.377 514 H HN 0.467 nan 8.280 nan 0.000 0.504 515 E N 0.109 120.252 120.200 -0.094 0.000 2.110 515 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 515 E C 2.476 178.927 176.600 -0.247 0.000 0.988 515 E CA 0.893 57.193 56.400 -0.166 0.000 0.804 515 E CB -0.074 29.600 29.700 -0.043 0.000 0.745 515 E HN 0.394 nan 8.360 nan 0.000 0.458 516 M N 0.027 119.391 119.600 -0.393 0.000 2.159 516 M HA -0.193 4.286 4.480 -0.000 0.000 0.263 516 M C 1.477 177.475 176.300 -0.503 0.000 1.063 516 M CA 1.753 56.671 55.300 -0.637 0.000 1.110 516 M CB -0.310 31.485 32.600 -1.343 0.000 1.374 516 M HN 0.133 nan 8.290 nan 0.000 0.411 517 Y N 0.500 120.622 120.300 -0.297 0.000 2.263 517 Y HA -0.072 4.477 4.550 -0.001 0.000 0.292 517 Y C 2.355 178.136 175.900 -0.199 0.000 1.130 517 Y CA 1.243 59.213 58.100 -0.217 0.000 1.179 517 Y CB -0.651 37.708 38.460 -0.168 0.000 0.998 517 Y HN 0.196 nan 8.280 nan 0.000 0.532 518 L N -0.248 120.903 121.223 -0.121 0.000 2.131 518 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 518 L C 1.848 178.669 176.870 -0.081 0.000 1.092 518 L CA 1.093 55.856 54.840 -0.128 0.000 0.759 518 L CB -0.433 41.505 42.059 -0.202 0.000 0.903 518 L HN 0.266 nan 8.230 nan 0.000 0.435 519 N N -0.496 118.136 118.700 -0.113 0.000 2.270 519 N HA -0.111 4.629 4.740 -0.000 0.000 0.181 519 N C 1.873 177.351 175.510 -0.053 0.000 1.016 519 N CA 0.903 53.900 53.050 -0.088 0.000 0.870 519 N CB -0.200 38.212 38.487 -0.126 0.000 0.979 519 N HN 0.098 nan 8.380 nan 0.000 0.431 520 V N 1.435 121.312 119.914 -0.061 0.000 2.237 520 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 520 V C 2.416 178.560 176.094 0.084 0.000 1.046 520 V CA 1.528 63.824 62.300 -0.006 0.000 1.007 520 V CB -0.449 31.375 31.823 0.000 0.000 0.638 520 V HN 0.197 nan 8.190 nan 0.000 0.445 521 M N -0.011 119.640 119.600 0.084 0.000 2.144 521 M HA -0.211 4.269 4.480 -0.000 0.000 0.260 521 M C 2.168 178.533 176.300 0.108 0.000 1.067 521 M CA 2.009 57.387 55.300 0.130 0.000 1.095 521 M CB -0.648 31.975 32.600 0.039 0.000 1.365 521 M HN 0.246 nan 8.290 nan 0.000 0.406 522 R N -0.782 119.746 120.500 0.048 0.000 2.062 522 R HA -0.099 4.241 4.340 -0.000 0.000 0.231 522 R C 2.253 178.579 176.300 0.042 0.000 1.136 522 R CA 1.305 57.419 56.100 0.023 0.000 0.948 522 R CB -0.210 30.090 30.300 -0.001 0.000 0.845 522 R HN 0.253 nan 8.270 nan 0.000 0.430 523 R N 0.055 120.588 120.500 0.055 0.000 2.119 523 R HA -0.198 4.141 4.340 -0.000 0.000 0.246 523 R C 2.167 178.552 176.300 0.143 0.000 1.146 523 R CA 1.543 57.684 56.100 0.069 0.000 0.962 523 R CB -0.932 29.398 30.300 0.051 0.000 0.863 523 R HN 0.297 nan 8.270 nan 0.000 0.442 524 F N 1.428 121.369 119.950 -0.016 0.000 2.060 524 F HA -0.170 4.354 4.527 -0.005 0.000 0.295 524 F C 2.662 178.456 175.800 -0.010 0.000 1.120 524 F CA 1.666 59.660 58.000 -0.009 0.000 1.205 524 F CB -1.114 37.889 39.000 0.005 0.000 0.986 524 F HN -0.018 nan 8.300 nan 0.000 0.470 525 S N 0.106 115.713 115.700 -0.154 0.000 2.374 525 S HA -0.289 4.181 4.470 -0.000 0.000 0.227 525 S C 2.064 176.576 174.600 -0.147 0.000 1.037 525 S CA 1.833 59.874 58.200 -0.264 0.000 1.024 525 S CB -0.750 62.360 63.200 -0.151 0.000 0.861 525 S HN 0.754 nan 8.310 nan 0.000 0.456 526 Q N -0.234 119.532 119.800 -0.056 0.000 2.389 526 Q HA 0.215 4.555 4.340 -0.000 0.000 0.204 526 Q C 2.096 178.086 176.000 -0.017 0.000 0.944 526 Q CA 0.941 56.723 55.803 -0.035 0.000 0.908 526 Q CB -0.377 28.351 28.738 -0.016 0.000 1.002 526 Q HN 0.588 nan 8.270 nan 0.000 0.493 527 A N 1.898 124.725 122.820 0.013 0.000 1.872 527 A HA -0.028 4.292 4.320 -0.000 0.000 0.214 527 A C 2.155 179.741 177.584 0.003 0.000 1.187 527 A CA 0.839 52.896 52.037 0.034 0.000 0.614 527 A CB -0.648 18.412 19.000 0.101 0.000 0.826 527 A HN 0.363 nan 8.150 nan 0.000 0.442 528 L N -1.048 120.150 121.223 -0.042 0.000 2.187 528 L HA -0.140 4.200 4.340 -0.000 0.000 0.213 528 L C 2.108 178.930 176.870 -0.080 0.000 1.100 528 L CA 0.547 55.336 54.840 -0.085 0.000 0.765 528 L CB -0.296 41.630 42.059 -0.222 0.000 0.904 528 L HN 0.326 nan 8.230 nan 0.000 0.437 529 L N -0.785 120.392 121.223 -0.077 0.000 2.592 529 L HA 0.006 4.346 4.340 -0.000 0.000 0.227 529 L C 1.985 178.830 176.870 -0.041 0.000 1.127 529 L CA 1.207 56.008 54.840 -0.066 0.000 0.884 529 L CB -0.414 41.603 42.059 -0.070 0.000 1.065 529 L HN 0.056 nan 8.230 nan 0.000 0.457 530 K N -1.196 119.186 120.400 -0.029 0.000 2.361 530 K HA 0.179 4.499 4.320 -0.000 0.000 0.196 530 K C 1.130 177.721 176.600 -0.016 0.000 1.039 530 K CA 0.364 56.641 56.287 -0.017 0.000 1.001 530 K CB 0.121 32.617 32.500 -0.007 0.000 0.795 530 K HN 0.361 nan 8.250 nan 0.000 0.495 531 G N 0.841 109.628 108.800 -0.020 0.000 2.563 531 G HA2 0.021 3.981 3.960 -0.000 0.000 0.283 531 G HA3 0.021 3.981 3.960 -0.000 0.000 0.283 531 G C -0.606 174.281 174.900 -0.022 0.000 1.309 531 G CA -0.507 44.582 45.100 -0.018 0.000 1.022 531 G HN 0.336 nan 8.290 nan 0.000 0.501 532 D N -1.208 119.180 120.400 -0.020 0.000 2.387 532 D HA 0.098 4.738 4.640 -0.000 0.000 0.251 532 D C 1.347 177.630 176.300 -0.028 0.000 1.141 532 D CA -0.665 53.322 54.000 -0.022 0.000 0.987 532 D CB 1.209 41.999 40.800 -0.017 0.000 1.116 532 D HN 0.286 nan 8.370 nan 0.000 0.491 533 K N 0.615 120.998 120.400 -0.028 0.000 2.108 533 K HA -0.331 3.989 4.320 -0.000 0.000 0.219 533 K C 1.887 178.464 176.600 -0.037 0.000 1.054 533 K CA 3.032 59.300 56.287 -0.032 0.000 0.945 533 K CB -0.844 31.640 32.500 -0.027 0.000 0.728 533 K HN 0.501 nan 8.250 nan 0.000 0.462 534 S N -0.947 114.733 115.700 -0.034 0.000 2.428 534 S HA -0.063 4.407 4.470 -0.000 0.000 0.230 534 S C 2.042 176.616 174.600 -0.043 0.000 1.014 534 S CA 1.054 59.231 58.200 -0.038 0.000 0.957 534 S CB -0.397 62.784 63.200 -0.031 0.000 0.784 534 S HN 0.119 nan 8.310 nan 0.000 0.499 535 V N 2.310 122.200 119.914 -0.040 0.000 2.453 535 V HA -0.074 4.046 4.120 -0.000 0.000 0.247 535 V C 2.892 178.944 176.094 -0.070 0.000 1.048 535 V CA 1.706 63.979 62.300 -0.045 0.000 1.049 535 V CB -0.707 31.097 31.823 -0.031 0.000 0.672 535 V HN 0.463 nan 8.190 nan 0.000 0.457 536 R N -0.343 120.117 120.500 -0.067 0.000 2.066 536 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 536 R C 2.271 178.517 176.300 -0.089 0.000 1.131 536 R CA 1.394 57.447 56.100 -0.080 0.000 0.955 536 R CB -0.639 29.624 30.300 -0.063 0.000 0.851 536 R HN 0.375 nan 8.270 nan 0.000 0.432 537 V N 1.797 121.666 119.914 -0.075 0.000 2.407 537 V HA -0.271 3.848 4.120 -0.000 0.000 0.248 537 V C 2.433 178.471 176.094 -0.094 0.000 1.055 537 V CA 1.779 64.033 62.300 -0.076 0.000 1.049 537 V CB -0.404 31.382 31.823 -0.060 0.000 0.662 537 V HN 0.373 nan 8.190 nan 0.000 0.455 538 M N 0.200 119.743 119.600 -0.095 0.000 2.108 538 M HA -0.255 4.225 4.480 -0.000 0.000 0.261 538 M C 2.357 178.561 176.300 -0.161 0.000 1.066 538 M CA 2.252 57.485 55.300 -0.112 0.000 1.107 538 M CB -0.286 32.261 32.600 -0.088 0.000 1.356 538 M HN 0.226 nan 8.290 nan 0.000 0.406 539 R N 0.255 120.650 120.500 -0.176 0.000 2.096 539 R HA -0.185 4.155 4.340 -0.000 0.000 0.240 539 R C 2.151 178.302 176.300 -0.247 0.000 1.139 539 R CA 2.475 58.426 56.100 -0.247 0.000 0.952 539 R CB -0.481 29.682 30.300 -0.228 0.000 0.854 539 R HN 0.652 nan 8.270 nan 0.000 0.436 540 S N 0.029 115.621 115.700 -0.179 0.000 2.436 540 S HA -0.031 4.438 4.470 -0.000 0.000 0.228 540 S C 2.051 176.556 174.600 -0.158 0.000 1.014 540 S CA 0.669 58.776 58.200 -0.155 0.000 0.950 540 S CB -0.275 62.860 63.200 -0.108 0.000 0.784 540 S HN 0.370 nan 8.310 nan 0.000 0.504 541 L N 0.618 121.746 121.223 -0.158 0.000 2.131 541 L HA -0.006 4.333 4.340 -0.000 0.000 0.210 541 L C 2.486 179.229 176.870 -0.211 0.000 1.092 541 L CA 0.961 55.709 54.840 -0.152 0.000 0.759 541 L CB -0.585 41.393 42.059 -0.135 0.000 0.903 541 L HN 0.343 nan 8.230 nan 0.000 0.435 542 L N -0.543 120.488 121.223 -0.320 0.000 2.056 542 L HA -0.171 4.168 4.340 -0.000 0.000 0.207 542 L C 2.907 179.467 176.870 -0.517 0.000 1.078 542 L CA 1.124 55.630 54.840 -0.556 0.000 0.749 542 L CB -0.719 40.835 42.059 -0.842 0.000 0.901 542 L HN 0.224 nan 8.230 nan 0.000 0.433 543 A N 0.182 122.788 122.820 -0.357 0.000 1.908 543 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 543 A C 2.543 180.064 177.584 -0.104 0.000 1.181 543 A CA 1.880 53.791 52.037 -0.210 0.000 0.627 543 A CB -0.749 18.164 19.000 -0.145 0.000 0.818 543 A HN 0.416 nan 8.150 nan 0.000 0.445 544 A N -0.658 122.107 122.820 -0.092 0.000 1.883 544 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 544 A C 2.126 179.747 177.584 0.062 0.000 1.186 544 A CA 1.828 53.858 52.037 -0.013 0.000 0.624 544 A CB -0.671 18.308 19.000 -0.034 0.000 0.822 544 A HN 0.664 nan 8.150 nan 0.000 0.444 545 Q N -1.379 118.436 119.800 0.025 0.000 2.096 545 Q HA -0.269 4.071 4.340 -0.000 0.000 0.204 545 Q C 2.319 178.516 176.000 0.328 0.000 0.982 545 Q CA 1.747 57.647 55.803 0.161 0.000 0.850 545 Q CB -0.212 28.630 28.738 0.174 0.000 0.901 545 Q HN 0.733 nan 8.270 nan 0.000 0.422 546 Q N 0.257 120.170 119.800 0.188 0.000 2.135 546 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 546 Q C 1.702 177.860 176.000 0.263 0.000 0.981 546 Q CA 2.133 58.088 55.803 0.254 0.000 0.856 546 Q CB -0.215 28.577 28.738 0.091 0.000 0.902 546 Q HN 0.350 nan 8.270 nan 0.000 0.425 547 T N -0.198 114.467 114.554 0.185 0.000 2.851 547 T HA -0.045 4.304 4.350 -0.000 0.000 0.262 547 T C 1.298 176.100 174.700 0.171 0.000 1.043 547 T CA 0.898 63.086 62.100 0.146 0.000 1.140 547 T CB -0.496 68.425 68.868 0.089 0.000 0.872 547 T HN 0.326 nan 8.240 nan 0.000 0.446 548 F N 2.155 122.165 119.950 0.099 0.000 2.126 548 F HA -0.149 4.378 4.527 -0.000 0.000 0.299 548 F C 2.206 178.077 175.800 0.118 0.000 1.096 548 F CA 0.915 58.973 58.000 0.097 0.000 1.255 548 F CB -0.477 38.588 39.000 0.109 0.000 0.997 548 F HN -0.093 nan 8.300 nan 0.000 0.479 549 V N 0.104 120.283 119.914 0.442 0.000 2.307 549 V HA -0.285 3.835 4.120 -0.000 0.000 0.245 549 V C 2.085 178.281 176.094 0.170 0.000 1.045 549 V CA 2.111 64.626 62.300 0.358 0.000 1.024 549 V CB -0.736 31.433 31.823 0.576 0.000 0.651 549 V HN 0.231 nan 8.190 nan 0.000 0.449 550 D N 0.060 120.581 120.400 0.201 0.000 2.116 550 D HA -0.163 4.477 4.640 -0.000 0.000 0.193 550 D C 2.432 178.742 176.300 0.017 0.000 0.998 550 D CA 1.325 55.397 54.000 0.121 0.000 0.836 550 D CB -0.278 40.605 40.800 0.139 0.000 0.951 550 D HN 0.355 nan 8.370 nan 0.000 0.449 551 R N -0.258 120.211 120.500 -0.051 0.000 2.096 551 R HA -0.100 4.239 4.340 -0.000 0.000 0.235 551 R C 2.175 178.368 176.300 -0.178 0.000 1.127 551 R CA 0.402 56.415 56.100 -0.146 0.000 0.968 551 R CB -0.389 29.763 30.300 -0.248 0.000 0.861 551 R HN 0.156 nan 8.270 nan 0.000 0.440 552 L N 0.667 121.740 121.223 -0.250 0.000 2.046 552 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 552 L C 2.166 178.913 176.870 -0.205 0.000 1.077 552 L CA 1.472 56.128 54.840 -0.306 0.000 0.747 552 L CB -0.427 41.332 42.059 -0.499 0.000 0.896 552 L HN -0.086 nan 8.230 nan 0.000 0.432 553 V N -1.022 118.782 119.914 -0.183 0.000 2.343 553 V HA -0.362 3.758 4.120 -0.000 0.000 0.247 553 V C 2.475 178.422 176.094 -0.244 0.000 1.051 553 V CA 2.046 64.164 62.300 -0.304 0.000 1.036 553 V CB -0.800 30.797 31.823 -0.376 0.000 0.654 553 V HN 0.652 nan 8.190 nan 0.000 0.451 554 H N -0.622 118.339 119.070 -0.182 0.000 2.352 554 H HA -0.202 4.354 4.556 -0.000 0.000 0.299 554 H C 2.160 177.416 175.328 -0.120 0.000 1.097 554 H CA 2.124 58.100 56.048 -0.120 0.000 1.311 554 H CB 0.029 29.738 29.762 -0.088 0.000 1.377 554 H HN 0.340 nan 8.280 nan 0.000 0.504 555 L N -0.600 120.654 121.223 0.051 0.000 2.109 555 L HA -0.146 4.193 4.340 -0.000 0.000 0.207 555 L C 1.915 178.771 176.870 -0.024 0.000 1.086 555 L CA 0.973 55.821 54.840 0.013 0.000 0.760 555 L CB -0.079 41.946 42.059 -0.057 0.000 0.910 555 L HN 0.386 nan 8.230 nan 0.000 0.437 556 M N -0.872 118.683 119.600 -0.075 0.000 2.236 556 M HA -0.139 4.341 4.480 -0.000 0.000 0.266 556 M C 2.176 178.440 176.300 -0.060 0.000 1.070 556 M CA 1.378 56.645 55.300 -0.056 0.000 1.137 556 M CB -0.829 31.736 32.600 -0.058 0.000 1.378 556 M HN 0.169 nan 8.290 nan 0.000 0.426 557 K N 0.363 120.666 120.400 -0.162 0.000 2.074 557 K HA -0.163 4.156 4.320 -0.000 0.000 0.209 557 K C 2.056 178.632 176.600 -0.041 0.000 1.048 557 K CA 1.781 58.040 56.287 -0.047 0.000 0.926 557 K CB -0.248 32.187 32.500 -0.107 0.000 0.713 557 K HN 0.303 nan 8.250 nan 0.000 0.444 558 A N 0.855 123.635 122.820 -0.067 0.000 1.855 558 A HA -0.098 4.221 4.320 -0.000 0.000 0.215 558 A C 2.402 179.984 177.584 -0.004 0.000 1.191 558 A CA 1.288 53.303 52.037 -0.037 0.000 0.613 558 A CB -0.638 18.357 19.000 -0.008 0.000 0.829 558 A HN 0.072 nan 8.150 nan 0.000 0.442 559 V N 0.159 120.077 119.914 0.007 0.000 2.295 559 V HA -0.311 3.808 4.120 -0.000 0.000 0.246 559 V C 2.649 178.759 176.094 0.027 0.000 1.049 559 V CA 2.305 64.616 62.300 0.018 0.000 1.024 559 V CB -0.879 30.958 31.823 0.024 0.000 0.648 559 V HN 0.635 nan 8.190 nan 0.000 0.447 560 Q N -0.412 119.412 119.800 0.041 0.000 2.224 560 Q HA -0.097 4.242 4.340 -0.000 0.000 0.203 560 Q C 1.735 177.757 176.000 0.036 0.000 0.970 560 Q CA 1.067 56.903 55.803 0.053 0.000 0.865 560 Q CB -0.016 28.780 28.738 0.096 0.000 0.922 560 Q HN 0.580 nan 8.270 nan 0.000 0.445 561 R N 0.443 120.958 120.500 0.025 0.000 2.586 561 R HA 0.156 4.495 4.340 -0.000 0.000 0.336 561 R C -0.239 176.065 176.300 0.006 0.000 1.060 561 R CA -0.096 56.013 56.100 0.013 0.000 1.079 561 R CB 0.564 30.869 30.300 0.008 0.000 1.317 561 R HN 0.054 nan 8.270 nan 0.000 0.568 562 E N 2.312 122.517 120.200 0.008 0.000 2.115 562 E HA 0.091 4.441 4.350 -0.000 0.000 0.282 562 E C -0.533 176.071 176.600 0.007 0.000 0.987 562 E CA -0.236 56.167 56.400 0.006 0.000 0.797 562 E CB 1.179 30.882 29.700 0.006 0.000 1.086 562 E HN 0.123 nan 8.360 nan 0.000 0.397 563 S N 3.081 118.784 115.700 0.005 0.000 2.572 563 S HA 0.576 5.046 4.470 -0.000 0.000 0.279 563 S C 0.317 174.920 174.600 0.005 0.000 1.341 563 S CA 0.505 58.709 58.200 0.006 0.000 1.043 563 S CB 1.016 64.219 63.200 0.004 0.000 0.887 563 S HN 0.796 nan 8.310 nan 0.000 0.516 564 G N 2.158 110.962 108.800 0.006 0.000 2.347 564 G HA2 0.208 4.168 3.960 -0.000 0.000 0.321 564 G HA3 0.208 4.168 3.960 -0.000 0.000 0.321 564 G C -0.977 173.927 174.900 0.006 0.000 1.412 564 G CA -0.538 44.565 45.100 0.005 0.000 0.990 564 G HN 1.233 nan 8.290 nan 0.000 0.637 565 N N -0.609 118.094 118.700 0.005 0.000 2.354 565 N HA 0.330 5.070 4.740 -0.000 0.000 0.246 565 N C 1.329 176.843 175.510 0.007 0.000 1.285 565 N CA -0.204 52.850 53.050 0.006 0.000 0.925 565 N CB 0.738 39.227 38.487 0.004 0.000 1.174 565 N HN 0.629 nan 8.380 nan 0.000 0.478 566 R N -0.197 120.309 120.500 0.009 0.000 2.152 566 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 566 R C 1.663 177.965 176.300 0.003 0.000 1.117 566 R CA 1.164 57.270 56.100 0.010 0.000 0.981 566 R CB -0.249 30.059 30.300 0.013 0.000 0.870 566 R HN 0.709 nan 8.270 nan 0.000 0.451 567 K N 0.902 121.302 120.400 0.000 0.000 2.063 567 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 567 K C 1.467 178.064 176.600 -0.004 0.000 1.048 567 K CA 1.429 57.714 56.287 -0.004 0.000 0.928 567 K CB 0.203 32.701 32.500 -0.004 0.000 0.713 567 K HN -0.067 nan 8.250 nan 0.000 0.442 568 K N 0.599 120.999 120.400 -0.001 0.000 2.305 568 K HA -0.024 4.296 4.320 -0.000 0.000 0.199 568 K C 1.837 178.438 176.600 0.002 0.000 1.047 568 K CA 0.893 57.180 56.287 -0.000 0.000 0.976 568 K CB 0.089 32.590 32.500 0.001 0.000 0.765 568 K HN 0.173 nan 8.250 nan 0.000 0.474 569 K N 1.036 121.439 120.400 0.005 0.000 2.007 569 K HA -0.032 4.287 4.320 -0.000 0.000 0.206 569 K C 1.858 178.461 176.600 0.006 0.000 1.047 569 K CA 1.016 57.308 56.287 0.009 0.000 0.937 569 K CB -0.089 32.421 32.500 0.016 0.000 0.718 569 K HN -0.045 nan 8.250 nan 0.000 0.438 570 N N 1.286 119.987 118.700 0.002 0.000 2.091 570 N HA -0.209 4.531 4.740 -0.000 0.000 0.193 570 N C 1.500 177.004 175.510 -0.009 0.000 1.021 570 N CA 1.431 54.478 53.050 -0.006 0.000 0.862 570 N CB -0.080 38.399 38.487 -0.014 0.000 1.018 570 N HN 0.270 nan 8.380 nan 0.000 0.429 571 E N -0.342 119.853 120.200 -0.008 0.000 2.072 571 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 571 E C 2.025 178.620 176.600 -0.009 0.000 0.985 571 E CA 0.757 57.151 56.400 -0.010 0.000 0.801 571 E CB 0.021 29.716 29.700 -0.009 0.000 0.750 571 E HN 0.169 nan 8.360 nan 0.000 0.452 572 R N 0.683 121.180 120.500 -0.005 0.000 2.092 572 R HA -0.116 4.223 4.340 -0.000 0.000 0.231 572 R C 2.205 178.501 176.300 -0.005 0.000 1.119 572 R CA 0.652 56.750 56.100 -0.003 0.000 0.970 572 R CB -0.427 29.874 30.300 0.001 0.000 0.864 572 R HN 0.128 nan 8.270 nan 0.000 0.440 573 L N 0.835 122.056 121.223 -0.003 0.000 2.043 573 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 573 L C 1.847 178.707 176.870 -0.017 0.000 1.075 573 L CA 1.975 56.812 54.840 -0.005 0.000 0.752 573 L CB -0.308 41.752 42.059 0.002 0.000 0.891 573 L HN 0.365 nan 8.230 nan 0.000 0.432 574 Q N -1.253 118.536 119.800 -0.019 0.000 2.204 574 Q HA 0.042 4.382 4.340 -0.000 0.000 0.198 574 Q C 2.288 178.273 176.000 -0.025 0.000 0.946 574 Q CA 0.941 56.729 55.803 -0.025 0.000 0.859 574 Q CB -0.411 28.311 28.738 -0.026 0.000 0.946 574 Q HN 0.595 nan 8.270 nan 0.000 0.474 575 A N 1.485 124.293 122.820 -0.020 0.000 1.917 575 A HA -0.208 4.111 4.320 -0.000 0.000 0.219 575 A C 2.105 179.675 177.584 -0.023 0.000 1.182 575 A CA 1.466 53.492 52.037 -0.019 0.000 0.633 575 A CB -0.608 18.384 19.000 -0.014 0.000 0.819 575 A HN 0.238 nan 8.150 nan 0.000 0.448 576 L N -0.796 120.412 121.223 -0.024 0.000 2.023 576 L HA -0.050 4.289 4.340 -0.000 0.000 0.205 576 L C 2.516 179.357 176.870 -0.049 0.000 1.073 576 L CA 1.156 55.977 54.840 -0.032 0.000 0.745 576 L CB -0.481 41.564 42.059 -0.024 0.000 0.900 576 L HN 0.353 nan 8.230 nan 0.000 0.435 577 L N -0.751 120.441 121.223 -0.052 0.000 2.081 577 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 577 L C 2.300 179.140 176.870 -0.050 0.000 1.080 577 L CA 1.415 56.217 54.840 -0.064 0.000 0.754 577 L CB -1.083 40.939 42.059 -0.062 0.000 0.893 577 L HN 0.443 nan 8.230 nan 0.000 0.433 578 G N -1.934 106.842 108.800 -0.039 0.000 2.813 578 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.209 578 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.209 578 G C 0.641 175.523 174.900 -0.030 0.000 1.150 578 G CA -0.088 44.993 45.100 -0.031 0.000 0.785 578 G HN 0.196 nan 8.290 nan 0.000 0.535 579 D N 0.876 121.256 120.400 -0.035 0.000 2.741 579 D HA 0.055 4.695 4.640 -0.000 0.000 0.233 579 D C 1.249 177.523 176.300 -0.044 0.000 1.160 579 D CA -0.349 53.630 54.000 -0.035 0.000 1.003 579 D CB -0.192 40.587 40.800 -0.034 0.000 1.064 579 D HN 0.051 nan 8.370 nan 0.000 0.503 580 N N 1.664 120.342 118.700 -0.036 0.000 2.272 580 N HA -0.208 4.532 4.740 -0.000 0.000 0.185 580 N C 1.739 177.227 175.510 -0.037 0.000 1.014 580 N CA 1.192 54.221 53.050 -0.035 0.000 0.870 580 N CB 0.221 38.697 38.487 -0.018 0.000 0.975 580 N HN 0.426 nan 8.380 nan 0.000 0.433 581 E N 0.923 121.104 120.200 -0.033 0.000 2.051 581 E HA -0.264 4.086 4.350 -0.000 0.000 0.192 581 E C 1.627 178.202 176.600 -0.043 0.000 0.991 581 E CA 1.514 57.895 56.400 -0.031 0.000 0.799 581 E CB -0.432 29.253 29.700 -0.024 0.000 0.748 581 E HN 0.677 nan 8.360 nan 0.000 0.449 582 K N -0.586 119.782 120.400 -0.052 0.000 2.242 582 K HA 0.106 4.426 4.320 -0.000 0.000 0.200 582 K C 2.142 178.678 176.600 -0.107 0.000 1.050 582 K CA 0.508 56.753 56.287 -0.071 0.000 0.981 582 K CB 0.131 32.594 32.500 -0.063 0.000 0.795 582 K HN -0.014 nan 8.250 nan 0.000 0.477 583 M N 0.701 120.236 119.600 -0.108 0.000 2.552 583 M HA 0.112 4.591 4.480 -0.000 0.000 0.264 583 M C -0.137 176.070 176.300 -0.155 0.000 1.159 583 M CA 0.671 55.881 55.300 -0.151 0.000 1.176 583 M CB -0.656 31.861 32.600 -0.139 0.000 1.327 583 M HN 0.190 nan 8.290 nan 0.000 0.481 584 N N 0.602 119.238 118.700 -0.107 0.000 2.725 584 N HA -0.184 4.555 4.740 -0.000 0.000 0.249 584 N C -0.015 175.425 175.510 -0.118 0.000 1.103 584 N CA 0.184 53.189 53.050 -0.076 0.000 0.707 584 N CB -1.482 36.973 38.487 -0.052 0.000 1.043 584 N HN 0.273 nan 8.380 nan 0.000 0.553 585 L N -1.654 119.465 121.223 -0.173 0.000 2.818 585 L HA 0.253 4.593 4.340 -0.000 0.000 0.243 585 L C 1.440 178.303 176.870 -0.013 0.000 1.185 585 L CA 0.119 54.791 54.840 -0.281 0.000 0.988 585 L CB 0.583 42.400 42.059 -0.404 0.000 1.292 585 L HN 0.228 nan 8.230 nan 0.000 0.519 586 S N -1.360 114.360 115.700 0.035 0.000 2.727 586 S HA 0.185 4.655 4.470 -0.000 0.000 0.249 586 S C -0.020 174.620 174.600 0.068 0.000 1.079 586 S CA -0.078 58.145 58.200 0.039 0.000 0.912 586 S CB 0.615 63.812 63.200 -0.005 0.000 0.861 586 S HN 0.232 nan 8.310 nan 0.000 0.484 587 D N 1.924 122.369 120.400 0.075 0.000 2.328 587 D HA 0.351 4.990 4.640 -0.000 0.000 0.243 587 D C -0.673 175.676 176.300 0.082 0.000 1.324 587 D CA -0.046 53.995 54.000 0.068 0.000 0.966 587 D CB 1.720 42.541 40.800 0.035 0.000 1.324 587 D HN 0.291 nan 8.370 nan 0.000 0.549 588 V N -1.187 118.796 119.914 0.114 0.000 3.103 588 V HA 0.613 4.733 4.120 -0.000 0.000 0.318 588 V C 0.317 176.443 176.094 0.053 0.000 1.114 588 V CA -0.848 61.517 62.300 0.108 0.000 1.020 588 V CB 2.554 34.501 31.823 0.206 0.000 1.085 588 V HN 0.026 nan 8.190 nan 0.000 0.446 589 E N 1.311 121.531 120.200 0.034 0.000 2.354 589 E HA 0.367 4.717 4.350 -0.000 0.000 0.269 589 E C -0.603 175.986 176.600 -0.019 0.000 1.036 589 E CA -0.328 56.074 56.400 0.004 0.000 0.876 589 E CB 1.092 30.790 29.700 -0.004 0.000 1.009 589 E HN 0.598 nan 8.360 nan 0.000 0.416 590 L N 3.984 125.187 121.223 -0.034 0.000 2.615 590 L HA 0.014 4.354 4.340 -0.000 0.000 0.284 590 L C 0.664 177.481 176.870 -0.089 0.000 1.237 590 L CA 1.020 55.823 54.840 -0.062 0.000 0.905 590 L CB -0.657 41.367 42.059 -0.057 0.000 1.149 590 L HN 0.350 nan 8.230 nan 0.000 0.499 591 I N 0.030 120.519 120.570 -0.134 0.000 2.913 591 I HA 0.603 4.773 4.170 -0.000 0.000 0.302 591 I C -2.752 173.239 176.117 -0.209 0.000 1.246 591 I CA -2.689 58.516 61.300 -0.159 0.000 1.010 591 I CB 2.299 40.204 38.000 -0.157 0.000 1.259 591 I HN 0.243 nan 8.210 nan 0.000 0.434 592 P HA 0.105 nan 4.420 nan 0.000 0.264 592 P C -0.513 176.594 177.300 -0.321 0.000 1.193 592 P CA -0.090 62.873 63.100 -0.229 0.000 0.763 592 P CB 0.462 32.055 31.700 -0.178 0.000 0.810 593 L N 7.860 128.825 121.223 -0.431 0.000 2.500 593 L HA 0.171 4.511 4.340 -0.000 0.000 0.272 593 L C -1.659 174.885 176.870 -0.544 0.000 1.149 593 L CA -1.363 53.105 54.840 -0.621 0.000 0.897 593 L CB 0.241 41.847 42.059 -0.754 0.000 1.178 593 L HN 0.324 nan 8.230 nan 0.000 0.473 594 P HA -0.201 nan 4.420 nan 0.000 0.216 594 P C 1.618 178.586 177.300 -0.554 0.000 1.150 594 P CA 1.026 63.802 63.100 -0.540 0.000 0.837 594 P CB 0.105 31.346 31.700 -0.765 0.000 0.786 595 L N -0.686 120.213 121.223 -0.539 0.000 2.201 595 L HA -0.030 4.310 4.340 -0.000 0.000 0.212 595 L C 0.576 177.397 176.870 -0.082 0.000 1.105 595 L CA 1.712 56.417 54.840 -0.225 0.000 0.775 595 L CB -0.235 41.737 42.059 -0.145 0.000 0.913 595 L HN 0.059 nan 8.230 nan 0.000 0.440 596 E N -1.088 118.987 120.200 -0.208 0.000 2.738 596 E HA 0.182 4.531 4.350 -0.000 0.000 0.347 596 E C -2.166 174.296 176.600 -0.229 0.000 1.077 596 E CA -1.121 55.206 56.400 -0.121 0.000 0.755 596 E CB 1.165 30.819 29.700 -0.077 0.000 1.576 596 E HN -0.081 nan 8.360 nan 0.000 0.379 597 P HA -0.190 nan 4.420 nan 0.000 0.218 597 P C 0.886 178.091 177.300 -0.158 0.000 1.148 597 P CA 1.058 64.039 63.100 -0.199 0.000 0.822 597 P CB 0.308 31.911 31.700 -0.161 0.000 0.784 598 Q N -0.754 118.980 119.800 -0.110 0.000 2.112 598 Q HA -0.097 4.242 4.340 -0.000 0.000 0.206 598 Q C 0.519 176.436 176.000 -0.139 0.000 0.987 598 Q CA 0.890 56.636 55.803 -0.095 0.000 0.858 598 Q CB -1.094 27.609 28.738 -0.058 0.000 0.905 598 Q HN 0.129 nan 8.270 nan 0.000 0.420 599 V N 2.402 122.186 119.914 -0.215 0.000 2.427 599 V HA 0.084 4.204 4.120 -0.000 0.000 0.268 599 V C 0.101 176.018 176.094 -0.296 0.000 1.046 599 V CA -0.384 61.746 62.300 -0.282 0.000 0.970 599 V CB 0.779 32.306 31.823 -0.493 0.000 1.001 599 V HN 0.131 nan 8.190 nan 0.000 0.476 600 K N 5.414 125.687 120.400 -0.212 0.000 2.143 600 K HA 0.664 4.983 4.320 -0.000 0.000 0.272 600 K C -0.520 175.973 176.600 -0.178 0.000 1.001 600 K CA -0.456 55.715 56.287 -0.192 0.000 0.915 600 K CB 2.282 34.704 32.500 -0.130 0.000 1.047 600 K HN 0.667 nan 8.250 nan 0.000 0.458 601 I N -1.815 118.643 120.570 -0.186 0.000 2.828 601 I HA 0.428 4.598 4.170 -0.000 0.000 0.302 601 I C 0.417 176.498 176.117 -0.060 0.000 1.101 601 I CA -0.684 60.554 61.300 -0.105 0.000 1.031 601 I CB 2.110 40.044 38.000 -0.110 0.000 1.231 601 I HN 0.471 nan 8.210 nan 0.000 0.427 602 R N 3.109 123.622 120.500 0.022 0.000 2.334 602 R HA 0.677 5.016 4.340 -0.000 0.000 0.212 602 R C 0.487 176.843 176.300 0.094 0.000 0.897 602 R CA 0.104 56.226 56.100 0.037 0.000 1.056 602 R CB 0.512 30.837 30.300 0.041 0.000 1.046 602 R HN 1.053 nan 8.270 nan 0.000 0.513 603 G N 1.093 109.984 108.800 0.153 0.000 2.359 603 G HA2 0.063 4.023 3.960 -0.000 0.000 0.303 603 G HA3 0.063 4.023 3.960 -0.000 0.000 0.303 603 G C -1.446 173.504 174.900 0.083 0.000 1.293 603 G CA -1.102 44.132 45.100 0.224 0.000 0.964 603 G HN 0.008 nan 8.290 nan 0.000 0.531 604 I N 0.614 121.166 120.570 -0.030 0.000 2.392 604 I HA 0.410 4.579 4.170 -0.000 0.000 0.295 604 I C 0.566 176.643 176.117 -0.066 0.000 0.985 604 I CA -0.789 60.384 61.300 -0.212 0.000 1.221 604 I CB 1.677 39.477 38.000 -0.333 0.000 1.366 604 I HN 0.349 nan 8.210 nan 0.000 0.467 605 I N 8.197 128.750 120.570 -0.027 0.000 2.505 605 I HA 0.050 4.220 4.170 -0.000 0.000 0.287 605 I C -1.414 174.687 176.117 -0.027 0.000 1.104 605 I CA -1.135 60.159 61.300 -0.011 0.000 1.387 605 I CB 0.564 38.562 38.000 -0.002 0.000 1.404 605 I HN 0.451 nan 8.210 nan 0.000 0.528 606 P HA -0.152 nan 4.420 nan 0.000 0.217 606 P C 0.961 178.238 177.300 -0.038 0.000 1.154 606 P CA 0.970 64.047 63.100 -0.037 0.000 0.841 606 P CB 0.040 31.719 31.700 -0.036 0.000 0.788 607 E N 0.053 120.225 120.200 -0.047 0.000 2.526 607 E HA -0.052 4.297 4.350 -0.000 0.000 0.198 607 E C 0.698 177.252 176.600 -0.077 0.000 1.091 607 E CA 1.234 57.601 56.400 -0.056 0.000 0.880 607 E CB -1.209 28.458 29.700 -0.055 0.000 0.873 607 E HN 0.345 nan 8.360 nan 0.000 0.527 608 T N -3.312 111.192 114.554 -0.083 0.000 3.043 608 T HA 0.507 4.857 4.350 -0.000 0.000 0.272 608 T C 0.775 175.469 174.700 -0.009 0.000 0.990 608 T CA 0.038 62.071 62.100 -0.112 0.000 0.897 608 T CB 0.334 69.024 68.868 -0.296 0.000 1.111 608 T HN 0.239 nan 8.240 nan 0.000 0.529 609 A N 1.392 124.218 122.820 0.009 0.000 2.440 609 A HA 0.613 4.933 4.320 -0.000 0.000 0.251 609 A C 0.295 177.874 177.584 -0.008 0.000 1.089 609 A CA -0.057 51.996 52.037 0.028 0.000 0.779 609 A CB 0.173 19.176 19.000 0.004 0.000 1.022 609 A HN 0.416 nan 8.150 nan 0.000 0.492 610 T N 2.313 116.852 114.554 -0.024 0.000 2.932 610 T HA 0.487 4.836 4.350 -0.000 0.000 0.318 610 T C -0.761 173.892 174.700 -0.078 0.000 1.265 610 T CA -0.619 61.440 62.100 -0.067 0.000 1.036 610 T CB 0.385 69.184 68.868 -0.114 0.000 1.209 610 T HN 0.546 nan 8.240 nan 0.000 0.484 611 L N 3.996 125.196 121.223 -0.038 0.000 2.417 611 L HA 0.466 4.806 4.340 -0.000 0.000 0.268 611 L C 0.133 176.984 176.870 -0.031 0.000 1.158 611 L CA -0.649 54.204 54.840 0.022 0.000 0.819 611 L CB 0.377 42.469 42.059 0.055 0.000 1.112 611 L HN 0.621 nan 8.230 nan 0.000 0.458 612 F N 0.989 120.964 119.950 0.042 0.000 2.406 612 F HA 0.128 4.655 4.527 -0.001 0.000 0.327 612 F C 1.563 177.382 175.800 0.032 0.000 1.153 612 F CA 0.292 58.318 58.000 0.044 0.000 1.218 612 F CB 0.694 39.725 39.000 0.050 0.000 1.215 612 F HN 0.598 nan 8.300 nan 0.000 0.570 613 K N 1.276 121.808 120.400 0.220 0.000 2.283 613 K HA -0.042 4.278 4.320 -0.000 0.000 0.202 613 K C 1.207 177.874 176.600 0.112 0.000 1.048 613 K CA 1.067 57.429 56.287 0.125 0.000 0.948 613 K CB -0.816 31.744 32.500 0.099 0.000 0.742 613 K HN 0.583 nan 8.250 nan 0.000 0.458 614 S N -0.416 115.365 115.700 0.136 0.000 2.550 614 S HA 0.280 4.750 4.470 -0.000 0.000 0.285 614 S C 1.556 176.192 174.600 0.061 0.000 1.326 614 S CA 0.169 58.416 58.200 0.078 0.000 1.037 614 S CB 0.705 63.935 63.200 0.051 0.000 0.838 614 S HN 0.780 nan 8.310 nan 0.000 0.519 615 A N 3.903 126.745 122.820 0.036 0.000 2.119 615 A HA 0.124 4.443 4.320 -0.000 0.000 0.217 615 A C 1.910 179.507 177.584 0.022 0.000 1.153 615 A CA 0.796 52.849 52.037 0.026 0.000 0.692 615 A CB -0.487 18.522 19.000 0.015 0.000 0.799 615 A HN 0.826 nan 8.150 nan 0.000 0.458 616 L N -1.801 119.433 121.223 0.019 0.000 2.341 616 L HA 0.122 4.461 4.340 -0.000 0.000 0.214 616 L C 0.470 177.358 176.870 0.029 0.000 1.115 616 L CA 0.237 55.081 54.840 0.008 0.000 0.820 616 L CB -0.344 41.707 42.059 -0.014 0.000 0.944 616 L HN 0.410 nan 8.230 nan 0.000 0.452 617 M N -0.480 119.157 119.600 0.062 0.000 2.399 617 M HA -0.128 4.352 4.480 -0.000 0.000 0.191 617 M C -2.295 174.071 176.300 0.110 0.000 0.732 617 M CA -0.294 55.063 55.300 0.095 0.000 0.512 617 M CB -1.804 30.841 32.600 0.074 0.000 1.191 617 M HN 0.002 nan 8.290 nan 0.000 0.894 618 P HA 0.562 nan 4.420 nan 0.000 0.276 618 P C -0.559 176.909 177.300 0.279 0.000 1.261 618 P CA -0.254 62.925 63.100 0.132 0.000 0.800 618 P CB 1.050 32.779 31.700 0.049 0.000 1.066 619 A N 0.868 123.849 122.820 0.269 0.000 2.340 619 A HA 0.426 4.746 4.320 -0.000 0.000 0.331 619 A C -0.264 177.512 177.584 0.321 0.000 1.140 619 A CA -0.706 51.485 52.037 0.257 0.000 0.801 619 A CB 0.795 19.904 19.000 0.182 0.000 1.234 619 A HN 0.575 nan 8.150 nan 0.000 0.469 620 Q N 2.081 121.989 119.800 0.181 0.000 2.349 620 Q HA 0.563 4.903 4.340 -0.000 0.000 0.254 620 Q C -1.648 174.367 176.000 0.025 0.000 0.980 620 Q CA -0.174 55.676 55.803 0.079 0.000 0.924 620 Q CB 0.282 28.901 28.738 -0.198 0.000 1.209 620 Q HN 0.670 nan 8.270 nan 0.000 0.445 621 L N 4.388 125.644 121.223 0.055 0.000 2.313 621 L HA 0.482 4.821 4.340 -0.000 0.000 0.283 621 L C -0.777 176.088 176.870 -0.009 0.000 1.013 621 L CA -0.822 54.038 54.840 0.034 0.000 0.816 621 L CB 0.970 43.030 42.059 0.002 0.000 1.236 621 L HN 0.630 nan 8.230 nan 0.000 0.419 622 F N 2.588 122.512 119.950 -0.043 0.000 2.390 622 F HA 0.357 4.884 4.527 -0.000 0.000 0.361 622 F C 0.124 175.933 175.800 0.016 0.000 1.124 622 F CA -0.078 57.939 58.000 0.027 0.000 1.149 622 F CB 0.580 39.570 39.000 -0.017 0.000 1.160 622 F HN 0.203 nan 8.300 nan 0.000 0.501 623 F N 3.078 123.173 119.950 0.241 0.000 2.410 623 F HA 0.292 4.819 4.527 0.000 0.000 0.348 623 F C 0.572 176.472 175.800 0.167 0.000 1.106 623 F CA -0.717 57.396 58.000 0.188 0.000 1.163 623 F CB 0.802 39.889 39.000 0.144 0.000 1.129 623 F HN 0.252 nan 8.300 nan 0.000 0.516 624 K N 2.686 123.238 120.400 0.253 0.000 2.363 624 K HA 0.170 4.490 4.320 -0.000 0.000 0.289 624 K C 0.401 177.090 176.600 0.149 0.000 1.063 624 K CA -0.298 56.092 56.287 0.172 0.000 0.967 624 K CB 0.199 32.763 32.500 0.107 0.000 0.987 624 K HN 0.689 nan 8.250 nan 0.000 0.473 625 T N -1.264 113.365 114.554 0.124 0.000 2.824 625 T HA 0.088 4.438 4.350 -0.000 0.000 0.277 625 T C 1.259 175.973 174.700 0.024 0.000 0.975 625 T CA -0.741 61.390 62.100 0.052 0.000 0.966 625 T CB 1.343 70.239 68.868 0.046 0.000 1.054 625 T HN 0.641 nan 8.240 nan 0.000 0.533 626 E N 0.667 120.860 120.200 -0.012 0.000 2.012 626 E HA -0.200 4.149 4.350 -0.000 0.000 0.197 626 E C 0.642 177.242 176.600 0.001 0.000 1.007 626 E CA 1.676 58.066 56.400 -0.016 0.000 0.816 626 E CB -0.219 29.460 29.700 -0.035 0.000 0.762 626 E HN 0.859 nan 8.360 nan 0.000 0.451 627 D N -0.871 119.532 120.400 0.006 0.000 3.038 627 D HA 0.122 4.762 4.640 -0.000 0.000 0.243 627 D C 0.497 176.812 176.300 0.025 0.000 1.245 627 D CA 0.468 54.475 54.000 0.013 0.000 0.871 627 D CB -0.162 40.645 40.800 0.011 0.000 1.089 627 D HN 0.352 nan 8.370 nan 0.000 0.464 628 G N -0.496 108.322 108.800 0.030 0.000 2.273 628 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.280 628 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.280 628 G C 0.561 175.494 174.900 0.054 0.000 1.047 628 G CA -0.021 45.101 45.100 0.038 0.000 0.869 628 G HN 0.803 nan 8.290 nan 0.000 0.502 629 G N -1.061 107.782 108.800 0.072 0.000 2.568 629 G HA2 0.715 4.674 3.960 -0.000 0.000 0.293 629 G HA3 0.715 4.674 3.960 -0.000 0.000 0.293 629 G C -0.288 174.701 174.900 0.148 0.000 1.347 629 G CA -0.818 44.345 45.100 0.105 0.000 1.039 629 G HN 0.441 nan 8.290 nan 0.000 0.523 630 K N -0.252 120.271 120.400 0.204 0.000 2.637 630 K HA 0.213 4.533 4.320 -0.000 0.000 0.248 630 K C -2.126 174.696 176.600 0.370 0.000 0.971 630 K CA -0.494 55.968 56.287 0.292 0.000 0.858 630 K CB 2.359 35.015 32.500 0.260 0.000 1.170 630 K HN 0.504 nan 8.250 nan 0.000 0.443 631 Y N 5.112 125.550 120.300 0.231 0.000 2.388 631 Y HA 0.312 4.863 4.550 0.001 0.000 0.328 631 Y C -2.522 173.428 175.900 0.084 0.000 0.963 631 Y CA -2.191 55.997 58.100 0.148 0.000 1.240 631 Y CB 1.330 39.853 38.460 0.105 0.000 1.118 631 Y HN 0.375 nan 8.280 nan 0.000 0.484 632 P HA 0.218 nan 4.420 nan 0.000 0.286 632 P C -1.041 176.090 177.300 -0.282 0.000 1.269 632 P CA -0.018 62.679 63.100 -0.672 0.000 0.787 632 P CB 1.797 32.802 31.700 -1.158 0.000 0.920 633 V N 1.826 121.751 119.914 0.018 0.000 3.001 633 V HA 0.618 4.737 4.120 -0.000 0.000 0.314 633 V C -0.349 175.914 176.094 0.282 0.000 1.099 633 V CA -1.315 61.146 62.300 0.268 0.000 0.989 633 V CB 1.970 34.139 31.823 0.577 0.000 1.040 633 V HN 0.261 nan 8.190 nan 0.000 0.434 634 I N 3.046 123.819 120.570 0.339 0.000 2.321 634 I HA 0.418 4.588 4.170 -0.000 0.000 0.291 634 I C -0.872 175.413 176.117 0.280 0.000 0.998 634 I CA -0.152 61.330 61.300 0.304 0.000 1.227 634 I CB 1.318 39.429 38.000 0.186 0.000 1.368 634 I HN 0.669 nan 8.210 nan 0.000 0.466 635 F N 7.613 127.592 119.950 0.048 0.000 2.411 635 F HA 0.500 5.026 4.527 -0.000 0.000 0.352 635 F C -0.312 175.459 175.800 -0.049 0.000 1.123 635 F CA -0.658 57.233 58.000 -0.180 0.000 1.044 635 F CB 0.694 39.512 39.000 -0.303 0.000 1.135 635 F HN 0.312 nan 8.300 nan 0.000 0.461 636 K N 4.198 124.207 120.400 -0.653 0.000 2.156 636 K HA 0.438 4.758 4.320 -0.000 0.000 0.254 636 K C -1.585 174.617 176.600 -0.663 0.000 0.950 636 K CA -0.977 55.032 56.287 -0.463 0.000 0.849 636 K CB 1.823 34.179 32.500 -0.240 0.000 1.100 636 K HN 0.695 nan 8.250 nan 0.000 0.434 637 H N -0.654 118.167 119.070 -0.415 0.000 3.083 637 H HA 0.394 4.949 4.556 -0.001 0.000 0.339 637 H C 0.115 175.376 175.328 -0.111 0.000 1.020 637 H CA 0.590 56.478 56.048 -0.266 0.000 1.360 637 H CB 1.356 30.988 29.762 -0.217 0.000 1.811 637 H HN 0.675 nan 8.280 nan 0.000 0.493 638 G N 4.169 112.699 108.800 -0.451 0.000 3.033 638 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.196 638 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.196 638 G C -0.027 174.765 174.900 -0.179 0.000 1.078 638 G CA 0.146 45.059 45.100 -0.312 0.000 0.805 638 G HN 0.886 nan 8.290 nan 0.000 0.472 639 D N 0.088 120.408 120.400 -0.133 0.000 2.494 639 D HA 0.565 5.205 4.640 -0.000 0.000 0.259 639 D C -0.989 175.269 176.300 -0.071 0.000 1.109 639 D CA -0.591 53.359 54.000 -0.085 0.000 1.040 639 D CB 1.599 42.363 40.800 -0.060 0.000 1.175 639 D HN -0.033 nan 8.370 nan 0.000 0.584 640 D N 0.400 120.772 120.400 -0.046 0.000 2.392 640 D HA 0.159 4.799 4.640 -0.000 0.000 0.228 640 D C 0.476 176.770 176.300 -0.010 0.000 1.074 640 D CA -0.401 53.579 54.000 -0.032 0.000 0.838 640 D CB 1.428 42.210 40.800 -0.029 0.000 1.067 640 D HN 0.461 nan 8.370 nan 0.000 0.511 641 L N 3.431 124.653 121.223 -0.001 0.000 2.509 641 L HA 0.124 4.463 4.340 -0.000 0.000 0.222 641 L C 2.355 179.255 176.870 0.050 0.000 1.123 641 L CA -0.037 54.824 54.840 0.035 0.000 0.856 641 L CB 0.100 42.185 42.059 0.043 0.000 0.985 641 L HN 0.235 nan 8.230 nan 0.000 0.456 642 R N 0.256 120.773 120.500 0.028 0.000 2.117 642 R HA -0.266 4.074 4.340 -0.000 0.000 0.243 642 R C 2.213 178.525 176.300 0.020 0.000 1.143 642 R CA 1.782 57.894 56.100 0.020 0.000 0.968 642 R CB -0.270 30.029 30.300 -0.002 0.000 0.863 642 R HN 0.397 nan 8.270 nan 0.000 0.444 643 Q N 0.686 120.505 119.800 0.032 0.000 2.046 643 Q HA -0.181 4.159 4.340 -0.000 0.000 0.200 643 Q C 1.111 177.160 176.000 0.081 0.000 0.975 643 Q CA 1.903 57.735 55.803 0.048 0.000 0.836 643 Q CB 0.096 28.863 28.738 0.049 0.000 0.896 643 Q HN 0.222 nan 8.270 nan 0.000 0.428 644 D N -0.148 120.328 120.400 0.126 0.000 2.178 644 D HA -0.180 4.460 4.640 -0.000 0.000 0.201 644 D C 1.669 178.022 176.300 0.087 0.000 0.980 644 D CA 0.949 55.063 54.000 0.191 0.000 0.842 644 D CB -0.019 40.937 40.800 0.260 0.000 0.948 644 D HN 0.324 nan 8.370 nan 0.000 0.472 645 Q N -0.324 119.515 119.800 0.065 0.000 2.050 645 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 645 Q C 1.999 177.979 176.000 -0.034 0.000 0.980 645 Q CA 0.801 56.627 55.803 0.039 0.000 0.840 645 Q CB -0.091 28.685 28.738 0.063 0.000 0.898 645 Q HN 0.227 nan 8.270 nan 0.000 0.424 646 L N 0.773 121.965 121.223 -0.053 0.000 1.994 646 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 646 L C 2.093 178.878 176.870 -0.141 0.000 1.071 646 L CA 1.603 56.381 54.840 -0.104 0.000 0.745 646 L CB -0.831 41.182 42.059 -0.077 0.000 0.892 646 L HN 0.291 nan 8.230 nan 0.000 0.431 647 I N -0.502 119.982 120.570 -0.142 0.000 2.127 647 I HA -0.300 3.870 4.170 -0.000 0.000 0.241 647 I C 2.573 178.491 176.117 -0.332 0.000 1.075 647 I CA 1.208 62.342 61.300 -0.277 0.000 1.334 647 I CB -1.290 36.416 38.000 -0.491 0.000 1.040 647 I HN 0.271 nan 8.210 nan 0.000 0.405 648 L N 0.723 121.767 121.223 -0.299 0.000 2.079 648 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 648 L C 2.641 179.383 176.870 -0.213 0.000 1.081 648 L CA 2.061 56.718 54.840 -0.305 0.000 0.752 648 L CB -1.210 40.665 42.059 -0.306 0.000 0.896 648 L HN 0.521 nan 8.230 nan 0.000 0.433 649 Q N -1.079 118.624 119.800 -0.161 0.000 2.245 649 Q HA -0.093 4.247 4.340 -0.000 0.000 0.201 649 Q C 1.915 177.824 176.000 -0.152 0.000 0.955 649 Q CA 1.107 56.827 55.803 -0.139 0.000 0.870 649 Q CB -0.160 28.511 28.738 -0.112 0.000 0.945 649 Q HN 0.301 nan 8.270 nan 0.000 0.461 650 I N 0.754 121.218 120.570 -0.176 0.000 2.233 650 I HA -0.172 3.997 4.170 -0.000 0.000 0.243 650 I C 2.341 178.380 176.117 -0.131 0.000 1.093 650 I CA 1.104 62.307 61.300 -0.161 0.000 1.380 650 I CB -0.759 37.131 38.000 -0.184 0.000 1.067 650 I HN 0.294 nan 8.210 nan 0.000 0.413 651 I N 0.481 120.950 120.570 -0.168 0.000 2.208 651 I HA -0.334 3.835 4.170 -0.000 0.000 0.245 651 I C 2.843 178.876 176.117 -0.140 0.000 1.097 651 I CA 1.546 62.747 61.300 -0.165 0.000 1.363 651 I CB -0.361 37.515 38.000 -0.206 0.000 1.051 651 I HN 0.212 nan 8.210 nan 0.000 0.413 652 S N 0.818 116.432 115.700 -0.143 0.000 2.370 652 S HA -0.198 4.272 4.470 -0.000 0.000 0.226 652 S C 1.998 176.528 174.600 -0.116 0.000 1.033 652 S CA 1.354 59.481 58.200 -0.121 0.000 1.011 652 S CB -0.298 62.829 63.200 -0.122 0.000 0.852 652 S HN 0.304 nan 8.310 nan 0.000 0.457 653 L N 1.306 122.458 121.223 -0.118 0.000 2.017 653 L HA 0.057 4.397 4.340 -0.000 0.000 0.208 653 L C 2.385 179.182 176.870 -0.123 0.000 1.073 653 L CA 1.953 56.723 54.840 -0.116 0.000 0.745 653 L CB -0.615 41.392 42.059 -0.087 0.000 0.894 653 L HN 0.382 nan 8.230 nan 0.000 0.432 654 M N -1.000 118.544 119.600 -0.093 0.000 2.159 654 M HA -0.213 4.266 4.480 -0.000 0.000 0.263 654 M C 1.930 178.182 176.300 -0.080 0.000 1.063 654 M CA 1.928 57.188 55.300 -0.066 0.000 1.110 654 M CB -0.536 32.052 32.600 -0.021 0.000 1.374 654 M HN 0.301 nan 8.290 nan 0.000 0.411 655 D N 0.688 121.033 120.400 -0.091 0.000 2.092 655 D HA -0.169 4.471 4.640 -0.000 0.000 0.193 655 D C 1.854 178.105 176.300 -0.083 0.000 0.994 655 D CA 1.533 55.485 54.000 -0.080 0.000 0.828 655 D CB 0.065 40.820 40.800 -0.074 0.000 0.963 655 D HN 0.163 nan 8.370 nan 0.000 0.450 656 K N -0.378 119.961 120.400 -0.101 0.000 2.097 656 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 656 K C 2.394 178.917 176.600 -0.127 0.000 1.050 656 K CA 0.489 56.713 56.287 -0.105 0.000 0.938 656 K CB -0.169 32.262 32.500 -0.116 0.000 0.718 656 K HN 0.277 nan 8.250 nan 0.000 0.442 657 L N 0.896 122.006 121.223 -0.190 0.000 1.994 657 L HA -0.207 4.132 4.340 -0.000 0.000 0.208 657 L C 2.402 179.209 176.870 -0.104 0.000 1.071 657 L CA 1.149 55.812 54.840 -0.295 0.000 0.745 657 L CB -0.490 41.153 42.059 -0.693 0.000 0.892 657 L HN 0.129 nan 8.230 nan 0.000 0.431 658 L N -0.690 120.499 121.223 -0.057 0.000 2.013 658 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 658 L C 2.793 179.616 176.870 -0.078 0.000 1.073 658 L CA 1.456 56.267 54.840 -0.049 0.000 0.753 658 L CB -0.589 41.448 42.059 -0.037 0.000 0.890 658 L HN 0.202 nan 8.230 nan 0.000 0.432 659 R N -0.068 120.394 120.500 -0.064 0.000 2.159 659 R HA -0.201 4.139 4.340 -0.000 0.000 0.237 659 R C 2.305 178.577 176.300 -0.045 0.000 1.131 659 R CA 1.260 57.329 56.100 -0.052 0.000 0.982 659 R CB -0.230 30.043 30.300 -0.045 0.000 0.868 659 R HN 0.280 nan 8.270 nan 0.000 0.453 660 K N 1.111 121.484 120.400 -0.044 0.000 2.057 660 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 660 K C 0.884 177.474 176.600 -0.016 0.000 1.049 660 K CA 1.204 57.478 56.287 -0.022 0.000 0.931 660 K CB 0.216 32.710 32.500 -0.010 0.000 0.714 660 K HN 0.117 nan 8.250 nan 0.000 0.440 661 E N 1.414 121.591 120.200 -0.039 0.000 2.301 661 E HA -0.034 4.315 4.350 -0.000 0.000 0.195 661 E C -0.604 175.917 176.600 -0.133 0.000 1.171 661 E CA -0.104 56.237 56.400 -0.099 0.000 1.142 661 E CB -0.409 29.147 29.700 -0.240 0.000 1.218 661 E HN 0.264 nan 8.360 nan 0.000 0.448 662 N N 1.170 119.830 118.700 -0.067 0.000 2.712 662 N HA -0.213 4.527 4.740 -0.000 0.000 0.263 662 N C -1.260 174.214 175.510 -0.060 0.000 0.954 662 N CA 0.465 53.487 53.050 -0.047 0.000 0.812 662 N CB -0.568 37.908 38.487 -0.018 0.000 0.912 662 N HN 0.149 nan 8.380 nan 0.000 0.551 663 L N 0.531 121.700 121.223 -0.090 0.000 2.345 663 L HA 0.447 4.786 4.340 -0.000 0.000 0.274 663 L C -0.899 175.946 176.870 -0.042 0.000 0.999 663 L CA -0.857 53.941 54.840 -0.071 0.000 0.849 663 L CB 1.560 43.541 42.059 -0.130 0.000 1.220 663 L HN 0.035 nan 8.230 nan 0.000 0.422 664 D N 4.507 124.898 120.400 -0.016 0.000 2.460 664 D HA 0.262 4.902 4.640 -0.000 0.000 0.232 664 D C 0.277 176.586 176.300 0.015 0.000 1.079 664 D CA -0.112 53.887 54.000 -0.003 0.000 0.864 664 D CB 0.735 41.538 40.800 0.004 0.000 1.048 664 D HN 0.593 nan 8.370 nan 0.000 0.523 665 L N 3.336 124.569 121.223 0.016 0.000 2.672 665 L HA 0.124 4.464 4.340 -0.000 0.000 0.236 665 L C 0.398 177.313 176.870 0.075 0.000 1.186 665 L CA -0.249 54.614 54.840 0.038 0.000 0.977 665 L CB -0.394 41.679 42.059 0.022 0.000 1.203 665 L HN 0.234 nan 8.230 nan 0.000 0.448 666 K N 0.271 120.712 120.400 0.069 0.000 3.419 666 K HA -0.164 4.156 4.320 -0.000 0.000 0.272 666 K C -0.418 176.274 176.600 0.153 0.000 0.973 666 K CA 0.776 57.121 56.287 0.097 0.000 0.749 666 K CB -2.203 30.364 32.500 0.112 0.000 1.403 666 K HN 0.356 nan 8.250 nan 0.000 0.456 667 L N -0.227 121.068 121.223 0.120 0.000 2.454 667 L HA 0.371 4.711 4.340 -0.000 0.000 0.256 667 L C 0.906 177.864 176.870 0.146 0.000 1.136 667 L CA -0.527 54.426 54.840 0.190 0.000 0.804 667 L CB 0.970 43.044 42.059 0.025 0.000 1.181 667 L HN 0.085 nan 8.230 nan 0.000 0.469 668 T N 1.460 116.147 114.554 0.221 0.000 3.327 668 T HA 0.251 4.601 4.350 -0.000 0.000 0.373 668 T C -2.481 172.292 174.700 0.121 0.000 1.589 668 T CA -0.821 61.294 62.100 0.024 0.000 1.497 668 T CB 0.568 69.173 68.868 -0.438 0.000 1.032 668 T HN 0.338 nan 8.240 nan 0.000 0.640 669 P HA 0.188 nan 4.420 nan 0.000 0.247 669 P C -0.387 176.880 177.300 -0.055 0.000 1.756 669 P CA -0.574 62.483 63.100 -0.072 0.000 1.117 669 P CB -0.700 30.953 31.700 -0.078 0.000 1.869 670 Y N 0.131 120.448 120.300 0.029 0.000 2.480 670 Y HA 0.325 4.875 4.550 -0.000 0.000 0.338 670 Y C 0.575 176.515 175.900 0.067 0.000 1.220 670 Y CA -1.051 57.063 58.100 0.023 0.000 1.430 670 Y CB 0.290 38.760 38.460 0.016 0.000 1.311 670 Y HN -0.001 nan 8.280 nan 0.000 0.575 671 K N 2.044 122.588 120.400 0.239 0.000 2.326 671 K HA 0.528 4.848 4.320 -0.000 0.000 0.275 671 K C -1.307 175.460 176.600 0.278 0.000 1.018 671 K CA -0.413 55.990 56.287 0.193 0.000 0.962 671 K CB 1.012 33.625 32.500 0.189 0.000 0.953 671 K HN 0.614 nan 8.250 nan 0.000 0.475 672 V N 4.278 124.319 119.914 0.212 0.000 2.612 672 V HA 0.304 4.424 4.120 -0.000 0.000 0.301 672 V C -1.448 174.776 176.094 0.217 0.000 1.059 672 V CA -0.866 61.575 62.300 0.235 0.000 0.886 672 V CB 1.527 33.472 31.823 0.204 0.000 1.007 672 V HN 0.494 nan 8.190 nan 0.000 0.426 673 L N 4.570 125.927 121.223 0.223 0.000 2.372 673 L HA 0.862 5.202 4.340 -0.000 0.000 0.273 673 L C 0.468 177.425 176.870 0.145 0.000 0.989 673 L CA -0.203 54.750 54.840 0.187 0.000 0.841 673 L CB 1.487 43.595 42.059 0.081 0.000 1.225 673 L HN 0.790 nan 8.230 nan 0.000 0.414 674 A N 2.635 125.543 122.820 0.147 0.000 2.484 674 A HA 0.414 4.733 4.320 -0.000 0.000 0.268 674 A C 1.117 178.735 177.584 0.057 0.000 1.114 674 A CA 0.476 52.567 52.037 0.090 0.000 0.780 674 A CB -0.179 18.878 19.000 0.095 0.000 1.061 674 A HN 0.886 nan 8.150 nan 0.000 0.505 675 T N -0.548 113.992 114.554 -0.024 0.000 3.044 675 T HA 0.374 4.724 4.350 -0.000 0.000 0.250 675 T C 0.708 175.439 174.700 0.051 0.000 1.081 675 T CA 0.652 62.714 62.100 -0.063 0.000 1.040 675 T CB -0.067 68.725 68.868 -0.127 0.000 0.962 675 T HN 0.767 nan 8.240 nan 0.000 0.506 676 S N -0.083 115.485 115.700 -0.221 0.000 2.727 676 S HA 0.438 4.908 4.470 -0.000 0.000 0.278 676 S C 1.040 175.548 174.600 -0.153 0.000 1.186 676 S CA 0.170 58.225 58.200 -0.241 0.000 0.836 676 S CB 0.972 63.806 63.200 -0.609 0.000 1.186 676 S HN 0.347 nan 8.310 nan 0.000 0.499 677 T N 0.199 114.701 114.554 -0.085 0.000 2.951 677 T HA 0.150 4.500 4.350 -0.000 0.000 0.268 677 T C 0.964 175.629 174.700 -0.059 0.000 1.073 677 T CA 0.797 62.867 62.100 -0.050 0.000 1.134 677 T CB -0.163 68.691 68.868 -0.022 0.000 0.884 677 T HN 0.331 nan 8.240 nan 0.000 0.479 678 K N 0.870 121.233 120.400 -0.062 0.000 2.360 678 K HA 0.241 4.561 4.320 -0.000 0.000 0.196 678 K C 0.038 176.656 176.600 0.030 0.000 1.049 678 K CA 0.180 56.458 56.287 -0.016 0.000 1.049 678 K CB 0.354 32.881 32.500 0.044 0.000 0.881 678 K HN 0.865 nan 8.250 nan 0.000 0.542 679 H N -2.848 116.227 119.070 0.009 0.000 2.961 679 H HA 0.762 5.318 4.556 -0.001 0.000 0.371 679 H C -0.076 175.208 175.328 -0.073 0.000 1.190 679 H CA -1.194 54.810 56.048 -0.074 0.000 1.138 679 H CB 1.970 31.800 29.762 0.112 0.000 1.816 679 H HN 0.030 nan 8.280 nan 0.000 0.551 680 G N 0.276 108.963 108.800 -0.188 0.000 2.523 680 G HA2 0.421 4.381 3.960 -0.000 0.000 0.291 680 G HA3 0.421 4.381 3.960 -0.000 0.000 0.291 680 G C -2.032 172.835 174.900 -0.055 0.000 1.450 680 G CA -1.054 44.032 45.100 -0.024 0.000 0.790 680 G HN 0.384 nan 8.290 nan 0.000 0.496 681 F N 0.193 120.266 119.950 0.205 0.000 2.397 681 F HA 0.828 5.356 4.527 0.001 0.000 0.331 681 F C 0.645 176.548 175.800 0.171 0.000 1.090 681 F CA -0.431 57.717 58.000 0.247 0.000 1.065 681 F CB 2.246 41.344 39.000 0.163 0.000 1.184 681 F HN 0.382 nan 8.300 nan 0.000 0.499 682 M N 2.640 122.470 119.600 0.383 0.000 2.371 682 M HA 0.233 4.712 4.480 -0.000 0.000 0.287 682 M C -1.277 175.196 176.300 0.287 0.000 1.149 682 M CA -0.519 54.960 55.300 0.298 0.000 0.929 682 M CB 1.978 34.699 32.600 0.202 0.000 1.683 682 M HN 0.588 nan 8.290 nan 0.000 0.470 683 Q N 2.659 122.629 119.800 0.282 0.000 2.332 683 Q HA 0.196 4.536 4.340 -0.000 0.000 0.263 683 Q C -1.549 174.521 176.000 0.117 0.000 0.979 683 Q CA 0.125 56.055 55.803 0.212 0.000 0.885 683 Q CB 0.813 29.684 28.738 0.222 0.000 1.218 683 Q HN 0.661 nan 8.270 nan 0.000 0.405 684 F N 5.135 125.059 119.950 -0.042 0.000 2.396 684 F HA 0.355 4.882 4.527 -0.001 0.000 0.343 684 F C -0.690 175.070 175.800 -0.067 0.000 1.104 684 F CA -0.637 57.326 58.000 -0.061 0.000 1.161 684 F CB 0.574 39.531 39.000 -0.073 0.000 1.146 684 F HN 0.347 nan 8.300 nan 0.000 0.522 685 I N 5.630 125.690 120.570 -0.850 0.000 2.465 685 I HA 0.207 4.377 4.170 -0.000 0.000 0.291 685 I C -0.377 175.291 176.117 -0.749 0.000 1.014 685 I CA -0.815 60.145 61.300 -0.567 0.000 1.093 685 I CB 1.531 39.339 38.000 -0.320 0.000 1.267 685 I HN 0.569 nan 8.210 nan 0.000 0.431 686 Q N 5.449 125.071 119.800 -0.296 0.000 2.281 686 Q HA 0.377 4.717 4.340 -0.000 0.000 0.267 686 Q C -0.883 175.115 176.000 -0.004 0.000 1.053 686 Q CA 0.213 55.977 55.803 -0.064 0.000 0.905 686 Q CB 0.725 29.536 28.738 0.122 0.000 1.195 686 Q HN 0.861 nan 8.270 nan 0.000 0.398 687 S N 1.577 117.276 115.700 -0.001 0.000 2.552 687 S HA 0.515 4.985 4.470 -0.000 0.000 0.272 687 S C -1.070 173.521 174.600 -0.014 0.000 1.150 687 S CA -0.950 57.272 58.200 0.036 0.000 0.849 687 S CB 1.319 64.567 63.200 0.080 0.000 1.113 687 S HN 0.313 nan 8.310 nan 0.000 0.458 688 V N 1.988 121.867 119.914 -0.059 0.000 2.417 688 V HA 0.604 4.724 4.120 -0.000 0.000 0.291 688 V C -2.398 173.547 176.094 -0.247 0.000 1.024 688 V CA -2.125 60.103 62.300 -0.121 0.000 0.861 688 V CB 1.230 32.985 31.823 -0.113 0.000 0.985 688 V HN 0.832 nan 8.190 nan 0.000 0.436 689 P HA 0.139 nan 4.420 nan 0.000 0.271 689 P C 0.972 178.102 177.300 -0.283 0.000 1.218 689 P CA 0.072 63.001 63.100 -0.285 0.000 0.780 689 P CB 1.306 32.873 31.700 -0.222 0.000 0.901 690 V N 2.706 122.433 119.914 -0.312 0.000 2.407 690 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 690 V C 2.570 178.537 176.094 -0.211 0.000 1.055 690 V CA 2.524 64.651 62.300 -0.289 0.000 1.049 690 V CB -1.597 30.065 31.823 -0.269 0.000 0.662 690 V HN 0.666 nan 8.190 nan 0.000 0.455 691 A N 0.190 122.907 122.820 -0.173 0.000 1.894 691 A HA -0.401 3.918 4.320 -0.000 0.000 0.220 691 A C 2.284 179.809 177.584 -0.099 0.000 1.237 691 A CA 2.752 54.722 52.037 -0.110 0.000 0.660 691 A CB -0.733 18.220 19.000 -0.079 0.000 0.835 691 A HN 0.665 nan 8.150 nan 0.000 0.461 692 E N -0.652 119.486 120.200 -0.104 0.000 2.051 692 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 692 E C 1.910 178.462 176.600 -0.080 0.000 0.991 692 E CA 1.472 57.830 56.400 -0.070 0.000 0.799 692 E CB -0.233 29.436 29.700 -0.052 0.000 0.748 692 E HN 0.296 nan 8.360 nan 0.000 0.449 693 V N 1.074 120.889 119.914 -0.165 0.000 2.278 693 V HA -0.299 3.821 4.120 -0.000 0.000 0.251 693 V C 2.459 178.482 176.094 -0.118 0.000 1.062 693 V CA 1.557 63.730 62.300 -0.211 0.000 1.038 693 V CB -0.560 30.953 31.823 -0.518 0.000 0.646 693 V HN 0.322 nan 8.190 nan 0.000 0.447 694 L N -0.038 121.107 121.223 -0.130 0.000 2.027 694 L HA -0.153 4.187 4.340 -0.000 0.000 0.206 694 L C 2.180 179.022 176.870 -0.048 0.000 1.074 694 L CA 2.195 56.983 54.840 -0.087 0.000 0.745 694 L CB -1.074 40.931 42.059 -0.090 0.000 0.898 694 L HN 0.380 nan 8.230 nan 0.000 0.433 695 D N -1.604 118.771 120.400 -0.041 0.000 2.144 695 D HA -0.156 4.484 4.640 -0.000 0.000 0.199 695 D C 2.106 178.404 176.300 -0.003 0.000 0.984 695 D CA 1.602 55.590 54.000 -0.021 0.000 0.834 695 D CB 0.236 41.025 40.800 -0.018 0.000 0.955 695 D HN 0.472 nan 8.370 nan 0.000 0.465 696 T N -2.234 112.326 114.554 0.010 0.000 2.781 696 T HA 0.010 4.359 4.350 -0.000 0.000 0.252 696 T C 1.486 176.209 174.700 0.039 0.000 1.039 696 T CA 0.550 62.672 62.100 0.036 0.000 1.147 696 T CB -0.155 68.757 68.868 0.073 0.000 0.865 696 T HN -0.051 nan 8.240 nan 0.000 0.423 697 E N 0.829 121.061 120.200 0.054 0.000 2.476 697 E HA 0.314 4.664 4.350 -0.000 0.000 0.199 697 E C 1.696 178.304 176.600 0.013 0.000 1.021 697 E CA 0.640 57.070 56.400 0.049 0.000 0.907 697 E CB 0.455 30.227 29.700 0.121 0.000 0.974 697 E HN 0.747 nan 8.360 nan 0.000 0.489 698 G N 1.848 110.644 108.800 -0.007 0.000 2.268 698 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.240 698 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.240 698 G C 0.413 175.288 174.900 -0.041 0.000 1.010 698 G CA 0.528 45.614 45.100 -0.023 0.000 0.618 698 G HN 0.637 nan 8.290 nan 0.000 0.516 699 S N -1.368 114.301 115.700 -0.052 0.000 2.565 699 S HA 0.618 5.088 4.470 -0.000 0.000 0.274 699 S C 0.839 175.358 174.600 -0.135 0.000 1.144 699 S CA -0.068 58.082 58.200 -0.083 0.000 0.849 699 S CB 0.633 63.797 63.200 -0.060 0.000 1.103 699 S HN 0.540 nan 8.310 nan 0.000 0.455 700 I N 1.442 121.883 120.570 -0.215 0.000 2.248 700 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 700 I C 2.688 178.549 176.117 -0.426 0.000 1.107 700 I CA 1.594 62.642 61.300 -0.420 0.000 1.373 700 I CB -0.430 37.291 38.000 -0.466 0.000 1.055 700 I HN 0.734 nan 8.210 nan 0.000 0.418 701 Q N 0.260 119.945 119.800 -0.191 0.000 2.230 701 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 701 Q C 1.894 177.904 176.000 0.016 0.000 0.963 701 Q CA 0.955 56.736 55.803 -0.038 0.000 0.866 701 Q CB -0.123 28.620 28.738 0.008 0.000 0.931 701 Q HN 0.595 nan 8.270 nan 0.000 0.452 702 N N 0.631 119.325 118.700 -0.010 0.000 2.171 702 N HA -0.127 4.612 4.740 -0.000 0.000 0.184 702 N C 1.572 177.095 175.510 0.022 0.000 1.021 702 N CA 0.781 53.833 53.050 0.003 0.000 0.854 702 N CB -0.473 38.010 38.487 -0.007 0.000 0.994 702 N HN 0.184 nan 8.380 nan 0.000 0.426 703 F N 1.544 121.419 119.950 -0.124 0.000 2.091 703 F HA -0.241 4.286 4.527 -0.001 0.000 0.299 703 F C 1.901 177.753 175.800 0.087 0.000 1.103 703 F CA 1.485 59.453 58.000 -0.055 0.000 1.228 703 F CB -0.315 38.591 39.000 -0.156 0.000 0.984 703 F HN -0.160 nan 8.300 nan 0.000 0.477 704 F N 0.690 120.762 119.950 0.202 0.000 2.134 704 F HA -0.079 4.447 4.527 -0.001 0.000 0.299 704 F C 2.671 178.448 175.800 -0.039 0.000 1.097 704 F CA 1.490 59.527 58.000 0.062 0.000 1.264 704 F CB -1.343 37.692 39.000 0.059 0.000 1.001 704 F HN -0.063 nan 8.300 nan 0.000 0.479 705 R N 0.400 120.979 120.500 0.131 0.000 2.152 705 R HA -0.154 4.186 4.340 -0.000 0.000 0.232 705 R C 2.179 178.428 176.300 -0.084 0.000 1.117 705 R CA 1.174 57.288 56.100 0.024 0.000 0.981 705 R CB -0.143 30.162 30.300 0.008 0.000 0.870 705 R HN 0.205 nan 8.270 nan 0.000 0.451 706 K N -1.125 119.149 120.400 -0.210 0.000 2.365 706 K HA -0.082 4.237 4.320 -0.000 0.000 0.197 706 K C 0.411 176.631 176.600 -0.634 0.000 1.042 706 K CA 0.957 56.964 56.287 -0.468 0.000 0.987 706 K CB 0.378 32.468 32.500 -0.683 0.000 0.779 706 K HN 0.228 nan 8.250 nan 0.000 0.484 707 Y N -1.745 118.460 120.300 -0.159 0.000 2.448 707 Y HA 0.370 4.920 4.550 -0.000 0.000 0.257 707 Y C 0.273 176.132 175.900 -0.067 0.000 1.089 707 Y CA -0.415 57.596 58.100 -0.149 0.000 1.245 707 Y CB 1.533 39.825 38.460 -0.281 0.000 1.282 707 Y HN 0.029 nan 8.280 nan 0.000 0.529 708 A N 1.492 124.369 122.820 0.095 0.000 3.355 708 A HA 0.409 4.729 4.320 -0.000 0.000 0.290 708 A C -2.960 174.640 177.584 0.027 0.000 0.973 708 A CA -1.255 50.815 52.037 0.055 0.000 0.933 708 A CB -0.225 18.796 19.000 0.035 0.000 1.138 708 A HN -0.126 nan 8.150 nan 0.000 0.490 709 P HA 0.260 nan 4.420 nan 0.000 0.276 709 P C -0.254 177.048 177.300 0.003 0.000 1.235 709 P CA 0.302 63.403 63.100 0.001 0.000 0.772 709 P CB 1.609 33.299 31.700 -0.018 0.000 0.871 710 S N 2.082 117.785 115.700 0.005 0.000 2.779 710 S HA 0.196 4.665 4.470 -0.000 0.000 0.293 710 S C 0.867 175.470 174.600 0.006 0.000 1.150 710 S CA -0.560 57.643 58.200 0.005 0.000 1.057 710 S CB 0.599 63.801 63.200 0.005 0.000 1.021 710 S HN 0.301 nan 8.310 nan 0.000 0.485 711 E N 3.286 123.488 120.200 0.004 0.000 2.160 711 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 711 E C 1.398 178.002 176.600 0.008 0.000 0.991 711 E CA 1.112 57.515 56.400 0.005 0.000 0.810 711 E CB -0.057 29.645 29.700 0.003 0.000 0.742 711 E HN 0.571 nan 8.360 nan 0.000 0.466 712 N N 0.529 119.234 118.700 0.008 0.000 2.028 712 N HA -0.075 4.664 4.740 -0.000 0.000 0.194 712 N C 0.966 176.484 175.510 0.014 0.000 1.050 712 N CA 1.347 54.404 53.050 0.011 0.000 0.848 712 N CB -0.648 37.846 38.487 0.010 0.000 1.038 712 N HN 0.162 nan 8.380 nan 0.000 0.423 713 G N 0.411 109.220 108.800 0.014 0.000 2.553 713 G HA2 0.266 4.226 3.960 -0.000 0.000 0.278 713 G HA3 0.266 4.226 3.960 -0.000 0.000 0.278 713 G C -2.432 172.481 174.900 0.021 0.000 1.349 713 G CA -0.628 44.482 45.100 0.017 0.000 1.037 713 G HN 0.134 nan 8.290 nan 0.000 0.508 714 P HA 0.102 nan 4.420 nan 0.000 0.271 714 P C -0.296 177.026 177.300 0.036 0.000 1.220 714 P CA -0.130 62.991 63.100 0.035 0.000 0.768 714 P CB 0.762 32.489 31.700 0.045 0.000 0.848 715 N N 2.533 121.253 118.700 0.034 0.000 2.713 715 N HA -0.212 4.527 4.740 -0.000 0.000 0.251 715 N C 0.998 176.525 175.510 0.030 0.000 1.117 715 N CA 1.839 54.909 53.050 0.033 0.000 0.770 715 N CB -1.746 36.767 38.487 0.043 0.000 1.137 715 N HN 0.899 nan 8.380 nan 0.000 0.566 716 G N -0.881 107.933 108.800 0.024 0.000 2.143 716 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.248 716 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.248 716 G C 0.059 174.973 174.900 0.023 0.000 0.991 716 G CA 0.528 45.639 45.100 0.018 0.000 0.689 716 G HN 0.511 nan 8.290 nan 0.000 0.522 717 I N 0.528 121.116 120.570 0.030 0.000 2.562 717 I HA 0.481 4.651 4.170 -0.000 0.000 0.301 717 I C 1.014 177.130 176.117 -0.002 0.000 1.003 717 I CA -0.884 60.433 61.300 0.029 0.000 1.127 717 I CB 1.912 39.945 38.000 0.054 0.000 1.304 717 I HN 0.135 nan 8.210 nan 0.000 0.446 718 S N 3.159 118.846 115.700 -0.023 0.000 2.552 718 S HA 0.106 4.576 4.470 -0.000 0.000 0.289 718 S C 1.166 175.744 174.600 -0.036 0.000 1.304 718 S CA 0.276 58.459 58.200 -0.027 0.000 1.063 718 S CB 0.993 64.173 63.200 -0.032 0.000 0.848 718 S HN 0.712 nan 8.310 nan 0.000 0.499 719 A N 4.167 126.980 122.820 -0.012 0.000 1.873 719 A HA -0.071 4.248 4.320 -0.000 0.000 0.215 719 A C 2.090 179.670 177.584 -0.005 0.000 1.186 719 A CA 1.611 53.647 52.037 -0.001 0.000 0.616 719 A CB -0.898 18.108 19.000 0.011 0.000 0.823 719 A HN 0.990 nan 8.150 nan 0.000 0.442 720 E N -0.065 120.130 120.200 -0.008 0.000 2.058 720 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 720 E C 1.994 178.579 176.600 -0.024 0.000 0.997 720 E CA 1.702 58.100 56.400 -0.004 0.000 0.801 720 E CB -0.159 29.541 29.700 0.001 0.000 0.746 720 E HN 0.322 nan 8.360 nan 0.000 0.450 721 V N 1.084 120.955 119.914 -0.071 0.000 2.255 721 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 721 V C 2.532 178.511 176.094 -0.192 0.000 1.051 721 V CA 2.039 64.243 62.300 -0.161 0.000 1.018 721 V CB -0.495 31.159 31.823 -0.282 0.000 0.641 721 V HN 0.368 nan 8.190 nan 0.000 0.445 722 M N 0.098 119.597 119.600 -0.168 0.000 2.202 722 M HA -0.174 4.306 4.480 -0.000 0.000 0.262 722 M C 1.829 178.174 176.300 0.076 0.000 1.063 722 M CA 1.681 56.950 55.300 -0.052 0.000 1.097 722 M CB -0.873 31.721 32.600 -0.009 0.000 1.382 722 M HN 0.416 nan 8.290 nan 0.000 0.413 723 D N -1.451 118.976 120.400 0.046 0.000 2.097 723 D HA -0.154 4.486 4.640 -0.000 0.000 0.195 723 D C 1.492 177.843 176.300 0.085 0.000 0.989 723 D CA 1.816 55.856 54.000 0.067 0.000 0.827 723 D CB 0.131 40.957 40.800 0.043 0.000 0.966 723 D HN 0.343 nan 8.370 nan 0.000 0.456 724 T N -0.384 114.215 114.554 0.074 0.000 2.684 724 T HA -0.210 4.139 4.350 -0.000 0.000 0.267 724 T C 1.753 176.548 174.700 0.159 0.000 1.036 724 T CA 1.253 63.414 62.100 0.101 0.000 1.148 724 T CB -0.637 68.282 68.868 0.084 0.000 0.863 724 T HN 0.290 nan 8.240 nan 0.000 0.436 725 Y N 1.292 121.618 120.300 0.043 0.000 2.165 725 Y HA -0.183 4.367 4.550 -0.000 0.000 0.286 725 Y C 2.280 178.281 175.900 0.170 0.000 1.155 725 Y CA 0.996 59.169 58.100 0.122 0.000 1.164 725 Y CB -0.350 38.170 38.460 0.100 0.000 0.978 725 Y HN -0.028 nan 8.280 nan 0.000 0.513 726 V N 0.375 120.388 119.914 0.164 0.000 2.307 726 V HA -0.289 3.831 4.120 -0.000 0.000 0.245 726 V C 2.223 178.421 176.094 0.174 0.000 1.045 726 V CA 2.270 64.670 62.300 0.167 0.000 1.024 726 V CB -0.537 31.411 31.823 0.209 0.000 0.651 726 V HN 0.296 nan 8.190 nan 0.000 0.449 727 K N 0.628 121.103 120.400 0.125 0.000 2.103 727 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 727 K C 2.384 179.057 176.600 0.120 0.000 1.048 727 K CA 1.828 58.174 56.287 0.097 0.000 0.930 727 K CB -0.270 32.277 32.500 0.077 0.000 0.716 727 K HN 0.659 nan 8.250 nan 0.000 0.444 728 S N 0.235 116.024 115.700 0.148 0.000 2.362 728 S HA -0.134 4.335 4.470 -0.000 0.000 0.221 728 S C 2.325 177.109 174.600 0.307 0.000 1.032 728 S CA 0.903 59.254 58.200 0.250 0.000 0.973 728 S CB -0.752 62.616 63.200 0.279 0.000 0.849 728 S HN 0.307 nan 8.310 nan 0.000 0.465 729 C N 2.481 121.865 119.300 0.140 0.000 2.385 729 C HA -0.056 4.404 4.460 -0.000 0.000 0.275 729 C C 3.335 178.559 174.990 0.391 0.000 1.207 729 C CA 0.977 60.109 59.018 0.191 0.000 1.760 729 C CB -1.774 25.946 27.740 -0.032 0.000 2.051 729 C HN 0.754 nan 8.230 nan 0.000 0.467 730 A N 0.319 123.332 122.820 0.321 0.000 1.883 730 A HA 0.010 4.330 4.320 -0.000 0.000 0.217 730 A C 2.415 180.007 177.584 0.013 0.000 1.186 730 A CA 2.253 54.297 52.037 0.010 0.000 0.624 730 A CB -1.262 17.665 19.000 -0.121 0.000 0.822 730 A HN 0.582 nan 8.150 nan 0.000 0.444 731 G N -2.339 106.500 108.800 0.065 0.000 2.403 731 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.216 731 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.216 731 G C 1.464 176.321 174.900 -0.073 0.000 1.154 731 G CA 1.057 46.149 45.100 -0.014 0.000 0.784 731 G HN 0.532 nan 8.290 nan 0.000 0.538 732 Y N 0.005 120.368 120.300 0.104 0.000 2.337 732 Y HA -0.019 4.531 4.550 -0.000 0.000 0.293 732 Y C 3.058 178.975 175.900 0.028 0.000 1.123 732 Y CA 0.432 58.581 58.100 0.082 0.000 1.201 732 Y CB -0.422 38.159 38.460 0.203 0.000 1.011 732 Y HN 0.214 nan 8.280 nan 0.000 0.545 733 C N -0.896 118.530 119.300 0.210 0.000 2.413 733 C HA -0.183 4.277 4.460 -0.000 0.000 0.277 733 C C 2.750 177.785 174.990 0.074 0.000 1.228 733 C CA 1.378 60.476 59.018 0.133 0.000 1.731 733 C CB -1.094 26.720 27.740 0.123 0.000 2.042 733 C HN 0.354 nan 8.230 nan 0.000 0.468 734 V N 0.617 120.555 119.914 0.039 0.000 2.358 734 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 734 V C 2.080 178.260 176.094 0.144 0.000 1.047 734 V CA 1.954 64.307 62.300 0.088 0.000 1.035 734 V CB -0.553 31.337 31.823 0.111 0.000 0.658 734 V HN 0.524 nan 8.190 nan 0.000 0.452 735 I N 1.098 121.696 120.570 0.047 0.000 2.202 735 I HA -0.215 3.954 4.170 -0.000 0.000 0.242 735 I C 2.799 178.922 176.117 0.009 0.000 1.091 735 I CA 2.018 63.315 61.300 -0.006 0.000 1.368 735 I CB -0.735 37.178 38.000 -0.145 0.000 1.058 735 I HN 0.502 nan 8.210 nan 0.000 0.410 736 T N -1.356 113.215 114.554 0.028 0.000 2.915 736 T HA -0.263 4.087 4.350 -0.000 0.000 0.269 736 T C 1.874 176.616 174.700 0.070 0.000 1.071 736 T CA 1.095 63.217 62.100 0.038 0.000 1.132 736 T CB -0.663 68.175 68.868 -0.050 0.000 0.878 736 T HN 0.436 nan 8.240 nan 0.000 0.479 737 Y N 1.816 122.096 120.300 -0.034 0.000 2.133 737 Y HA 0.106 4.655 4.550 -0.000 0.000 0.287 737 Y C 2.054 177.913 175.900 -0.069 0.000 1.134 737 Y CA 0.731 58.799 58.100 -0.052 0.000 1.133 737 Y CB -0.480 37.924 38.460 -0.092 0.000 0.987 737 Y HN 0.205 nan 8.280 nan 0.000 0.502 738 I N 0.113 120.539 120.570 -0.240 0.000 2.142 738 I HA -0.335 3.835 4.170 -0.000 0.000 0.240 738 I C 2.154 178.057 176.117 -0.357 0.000 1.078 738 I CA 1.609 62.650 61.300 -0.433 0.000 1.343 738 I CB -0.467 37.357 38.000 -0.294 0.000 1.046 738 I HN 0.236 nan 8.210 nan 0.000 0.405 739 L N 0.699 121.817 121.223 -0.176 0.000 2.551 739 L HA 0.040 4.379 4.340 -0.000 0.000 0.228 739 L C 1.363 178.172 176.870 -0.101 0.000 1.153 739 L CA 0.542 55.316 54.840 -0.110 0.000 0.851 739 L CB -0.968 41.081 42.059 -0.016 0.000 0.959 739 L HN 0.549 nan 8.230 nan 0.000 0.451 740 G N 0.889 109.613 108.800 -0.126 0.000 2.295 740 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.287 740 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.287 740 G C 0.110 175.027 174.900 0.028 0.000 1.055 740 G CA 0.078 45.130 45.100 -0.080 0.000 0.922 740 G HN 0.124 nan 8.290 nan 0.000 0.503 741 V N 0.275 120.237 119.914 0.080 0.000 2.521 741 V HA 0.578 4.697 4.120 -0.000 0.000 0.286 741 V C 1.359 177.549 176.094 0.159 0.000 1.034 741 V CA 0.628 63.035 62.300 0.177 0.000 1.045 741 V CB 1.048 33.036 31.823 0.275 0.000 0.974 741 V HN 0.761 nan 8.190 nan 0.000 0.480 742 G N 2.207 111.121 108.800 0.190 0.000 2.820 742 G HA2 0.544 4.503 3.960 -0.000 0.000 0.291 742 G HA3 0.544 4.503 3.960 -0.000 0.000 0.291 742 G C -0.031 174.919 174.900 0.084 0.000 1.323 742 G CA -0.116 45.056 45.100 0.119 0.000 1.055 742 G HN 0.734 nan 8.290 nan 0.000 0.520 743 D N -1.523 118.829 120.400 -0.079 0.000 2.907 743 D HA -0.137 4.503 4.640 -0.000 0.000 0.226 743 D C 0.271 176.611 176.300 0.068 0.000 1.141 743 D CA 0.378 54.299 54.000 -0.131 0.000 0.779 743 D CB -0.517 40.132 40.800 -0.252 0.000 1.095 743 D HN 0.256 nan 8.370 nan 0.000 0.430 744 R N 1.653 122.191 120.500 0.063 0.000 2.272 744 R HA 0.214 4.554 4.340 -0.000 0.000 0.334 744 R C 0.732 177.071 176.300 0.065 0.000 1.117 744 R CA -0.076 56.063 56.100 0.065 0.000 0.966 744 R CB 0.063 30.428 30.300 0.107 0.000 1.049 744 R HN 0.523 nan 8.270 nan 0.000 0.477 745 H N 0.356 119.376 119.070 -0.083 0.000 2.754 745 H HA 0.282 4.838 4.556 -0.000 0.000 0.352 745 H C 0.664 175.915 175.328 -0.129 0.000 1.213 745 H CA -1.032 54.959 56.048 -0.096 0.000 1.244 745 H CB 1.030 30.736 29.762 -0.093 0.000 1.843 745 H HN 0.286 nan 8.280 nan 0.000 0.587 746 L N -0.038 121.095 121.223 -0.149 0.000 2.622 746 L HA -0.029 4.311 4.340 -0.000 0.000 0.233 746 L C 0.404 177.087 176.870 -0.312 0.000 1.156 746 L CA 0.629 55.332 54.840 -0.228 0.000 0.866 746 L CB -0.201 41.781 42.059 -0.128 0.000 0.980 746 L HN 0.525 nan 8.230 nan 0.000 0.448 747 D N -0.267 119.839 120.400 -0.489 0.000 2.368 747 D HA 0.044 4.683 4.640 -0.000 0.000 0.218 747 D C 0.838 176.796 176.300 -0.570 0.000 1.112 747 D CA 0.190 53.936 54.000 -0.423 0.000 0.834 747 D CB 0.417 41.143 40.800 -0.123 0.000 0.953 747 D HN 0.351 nan 8.370 nan 0.000 0.505 748 N N 0.080 118.351 118.700 -0.715 0.000 2.197 748 N HA 0.059 4.798 4.740 -0.000 0.000 0.201 748 N C 0.014 175.175 175.510 -0.581 0.000 1.148 748 N CA -0.101 52.619 53.050 -0.550 0.000 0.883 748 N CB 1.243 39.449 38.487 -0.469 0.000 1.012 748 N HN 0.049 nan 8.380 nan 0.000 0.507 749 L N 1.784 122.654 121.223 -0.588 0.000 2.255 749 L HA 0.332 4.672 4.340 -0.000 0.000 0.289 749 L C -0.588 175.928 176.870 -0.591 0.000 1.046 749 L CA -0.260 54.193 54.840 -0.646 0.000 0.816 749 L CB 0.753 42.507 42.059 -0.509 0.000 1.197 749 L HN -0.135 nan 8.230 nan 0.000 0.427 750 L N 4.506 125.257 121.223 -0.786 0.000 2.331 750 L HA 0.555 4.895 4.340 -0.000 0.000 0.275 750 L C -0.430 176.050 176.870 -0.650 0.000 1.022 750 L CA -0.254 54.090 54.840 -0.827 0.000 0.812 750 L CB 1.691 42.986 42.059 -1.274 0.000 1.257 750 L HN 0.387 nan 8.230 nan 0.000 0.435 751 L N 1.547 122.551 121.223 -0.364 0.000 2.356 751 L HA 0.519 4.859 4.340 -0.000 0.000 0.277 751 L C -0.114 176.814 176.870 0.097 0.000 0.996 751 L CA -0.516 54.264 54.840 -0.101 0.000 0.822 751 L CB 2.158 44.039 42.059 -0.297 0.000 1.256 751 L HN 0.756 nan 8.230 nan 0.000 0.413 752 T N -0.582 114.150 114.554 0.297 0.000 2.909 752 T HA 0.251 4.601 4.350 -0.000 0.000 0.289 752 T C 0.775 175.713 174.700 0.396 0.000 1.005 752 T CA -0.737 61.543 62.100 0.301 0.000 1.084 752 T CB 1.205 70.227 68.868 0.257 0.000 0.975 752 T HN 0.579 nan 8.240 nan 0.000 0.509 753 K N 1.068 121.662 120.400 0.324 0.000 2.574 753 K HA -0.030 4.289 4.320 -0.000 0.000 0.193 753 K C 1.906 178.639 176.600 0.221 0.000 1.035 753 K CA 1.074 57.526 56.287 0.276 0.000 0.982 753 K CB -0.317 32.144 32.500 -0.065 0.000 0.795 753 K HN 0.880 nan 8.250 nan 0.000 0.491 754 T N -3.814 110.861 114.554 0.201 0.000 3.057 754 T HA 0.172 4.521 4.350 -0.000 0.000 0.254 754 T C 1.440 176.201 174.700 0.102 0.000 1.094 754 T CA 0.624 62.799 62.100 0.124 0.000 1.088 754 T CB 0.576 69.503 68.868 0.098 0.000 0.934 754 T HN 0.303 nan 8.240 nan 0.000 0.497 755 G N 1.051 109.991 108.800 0.232 0.000 2.296 755 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.188 755 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.188 755 G C -0.068 175.075 174.900 0.406 0.000 1.000 755 G CA -0.568 44.651 45.100 0.199 0.000 0.672 755 G HN 0.533 nan 8.290 nan 0.000 0.483 756 K N 0.839 121.440 120.400 0.335 0.000 2.436 756 K HA 0.366 4.686 4.320 -0.000 0.000 0.282 756 K C -0.029 176.805 176.600 0.390 0.000 1.044 756 K CA -0.051 56.437 56.287 0.335 0.000 1.028 756 K CB 1.255 33.926 32.500 0.285 0.000 0.919 756 K HN 0.348 nan 8.250 nan 0.000 0.474 757 L N 5.864 127.265 121.223 0.296 0.000 2.264 757 L HA 0.455 4.795 4.340 -0.000 0.000 0.289 757 L C -0.916 175.989 176.870 0.058 0.000 1.044 757 L CA -0.620 54.291 54.840 0.117 0.000 0.807 757 L CB 0.166 42.209 42.059 -0.026 0.000 1.192 757 L HN 0.512 nan 8.230 nan 0.000 0.425 758 F N 1.906 121.673 119.950 -0.305 0.000 2.640 758 F HA 0.600 5.127 4.527 0.000 0.000 0.324 758 F C -0.957 174.541 175.800 -0.503 0.000 1.077 758 F CA -1.068 56.565 58.000 -0.612 0.000 0.965 758 F CB 1.080 39.969 39.000 -0.185 0.000 1.351 758 F HN 0.303 nan 8.300 nan 0.000 0.487 759 H N 1.837 120.698 119.070 -0.348 0.000 2.469 759 H HA 0.667 5.223 4.556 -0.000 0.000 0.342 759 H C -0.430 174.951 175.328 0.089 0.000 1.115 759 H CA -0.559 55.407 56.048 -0.136 0.000 1.204 759 H CB 2.567 32.388 29.762 0.099 0.000 1.492 759 H HN 0.789 nan 8.280 nan 0.000 0.499 760 I N -1.182 119.293 120.570 -0.159 0.000 3.133 760 I HA 0.417 4.586 4.170 -0.000 0.000 0.311 760 I C -0.448 175.301 176.117 -0.612 0.000 1.072 760 I CA -0.936 60.272 61.300 -0.153 0.000 1.015 760 I CB 1.992 39.900 38.000 -0.153 0.000 1.233 760 I HN 0.470 nan 8.210 nan 0.000 0.473 761 D N 1.822 121.989 120.400 -0.388 0.000 3.830 761 D HA -0.192 4.448 4.640 -0.000 0.000 0.247 761 D C -1.222 174.859 176.300 -0.366 0.000 1.073 761 D CA 0.647 54.490 54.000 -0.261 0.000 1.116 761 D CB -0.766 39.927 40.800 -0.178 0.000 0.909 761 D HN 0.549 nan 8.370 nan 0.000 0.418 762 F N 0.558 120.590 119.950 0.138 0.000 2.883 762 F HA 0.418 4.945 4.527 -0.000 0.000 0.312 762 F C 1.967 177.817 175.800 0.083 0.000 1.246 762 F CA -0.035 58.042 58.000 0.128 0.000 1.238 762 F CB 0.912 39.981 39.000 0.116 0.000 1.195 762 F HN 0.307 nan 8.300 nan 0.000 0.526 763 G N -0.791 108.101 108.800 0.154 0.000 2.650 763 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.214 763 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.214 763 G C -0.070 174.696 174.900 -0.223 0.000 1.136 763 G CA 0.449 45.537 45.100 -0.019 0.000 0.789 763 G HN 0.332 nan 8.290 nan 0.000 0.536 764 Y N 0.316 120.677 120.300 0.102 0.000 2.338 764 Y HA 0.549 5.099 4.550 -0.000 0.000 0.328 764 Y C 0.148 176.116 175.900 0.113 0.000 0.965 764 Y CA -1.303 56.849 58.100 0.086 0.000 1.208 764 Y CB 1.195 39.693 38.460 0.064 0.000 1.132 764 Y HN 0.137 nan 8.280 nan 0.000 0.469 765 I N -0.904 119.772 120.570 0.177 0.000 3.174 765 I HA 0.588 4.757 4.170 -0.000 0.000 0.313 765 I C -0.145 176.012 176.117 0.067 0.000 1.155 765 I CA -1.506 59.874 61.300 0.134 0.000 0.977 765 I CB 2.371 40.447 38.000 0.126 0.000 1.248 765 I HN 0.518 nan 8.210 nan 0.000 0.453 766 L N 2.448 123.678 121.223 0.012 0.000 3.843 766 L HA -0.256 4.084 4.340 -0.000 0.000 0.411 766 L C 1.001 177.854 176.870 -0.028 0.000 1.205 766 L CA 0.894 55.703 54.840 -0.051 0.000 0.945 766 L CB -2.083 39.935 42.059 -0.068 0.000 1.929 766 L HN 1.329 nan 8.230 nan 0.000 0.934 767 G N -1.455 107.347 108.800 0.004 0.000 2.316 767 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.203 767 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.203 767 G C 0.323 175.256 174.900 0.055 0.000 0.999 767 G CA -0.006 45.102 45.100 0.013 0.000 0.649 767 G HN 0.312 nan 8.290 nan 0.000 0.489 768 R N 1.204 121.763 120.500 0.098 0.000 2.490 768 R HA 0.536 4.876 4.340 -0.000 0.000 0.280 768 R C -1.034 175.396 176.300 0.217 0.000 1.077 768 R CA 0.143 56.349 56.100 0.177 0.000 1.065 768 R CB 0.801 31.241 30.300 0.233 0.000 1.003 768 R HN 0.292 nan 8.270 nan 0.000 0.470 769 D N 2.163 122.647 120.400 0.140 0.000 2.837 769 D HA 0.138 4.777 4.640 -0.000 0.000 0.220 769 D C -1.919 174.292 176.300 -0.147 0.000 1.236 769 D CA -1.686 52.267 54.000 -0.078 0.000 0.838 769 D CB 2.356 43.122 40.800 -0.057 0.000 1.647 769 D HN 0.190 nan 8.370 nan 0.000 0.486 770 P HA -0.109 nan 4.420 nan 0.000 0.215 770 P C 0.121 177.364 177.300 -0.096 0.000 1.153 770 P CA 0.986 63.960 63.100 -0.210 0.000 0.853 770 P CB 0.560 32.071 31.700 -0.315 0.000 0.788 771 K N 0.454 120.785 120.400 -0.115 0.000 2.154 771 K HA 0.313 4.632 4.320 -0.000 0.000 0.264 771 K C -2.239 174.339 176.600 -0.037 0.000 1.008 771 K CA -1.884 54.364 56.287 -0.066 0.000 0.937 771 K CB -0.093 32.365 32.500 -0.070 0.000 1.002 771 K HN 0.039 nan 8.250 nan 0.000 0.469 772 P HA 0.162 nan 4.420 nan 0.000 0.277 772 P C -0.810 176.486 177.300 -0.008 0.000 1.240 772 P CA -0.547 62.548 63.100 -0.008 0.000 0.798 772 P CB 0.412 32.109 31.700 -0.004 0.000 0.979 773 L N -0.442 120.781 121.223 0.000 0.000 3.521 773 L HA -0.153 4.187 4.340 -0.000 0.000 0.653 773 L C -1.976 174.893 176.870 -0.001 0.000 1.077 773 L CA -0.470 54.371 54.840 0.003 0.000 1.144 773 L CB -1.550 40.510 42.059 0.002 0.000 1.447 773 L HN 0.425 nan 8.230 nan 0.000 0.811 774 P HA 0.389 nan 4.420 nan 0.000 0.290 774 P C -2.347 174.963 177.300 0.017 0.000 1.276 774 P CA -1.557 61.545 63.100 0.003 0.000 0.808 774 P CB 0.537 32.241 31.700 0.007 0.000 0.966 775 P HA 0.098 nan 4.420 nan 0.000 0.263 775 P C -1.975 175.356 177.300 0.051 0.000 1.195 775 P CA -0.996 62.119 63.100 0.024 0.000 0.762 775 P CB -0.404 31.306 31.700 0.015 0.000 0.799 776 P HA -0.097 nan 4.420 nan 0.000 0.218 776 P C 0.536 177.950 177.300 0.190 0.000 1.146 776 P CA 1.560 64.737 63.100 0.129 0.000 0.813 776 P CB 0.086 31.867 31.700 0.135 0.000 0.778 777 M N -0.987 118.667 119.600 0.090 0.000 2.197 777 M HA 0.330 4.810 4.480 -0.000 0.000 0.301 777 M C -0.634 175.704 176.300 0.063 0.000 0.987 777 M CA -0.434 54.900 55.300 0.056 0.000 0.921 777 M CB 1.636 34.187 32.600 -0.081 0.000 1.569 777 M HN -0.466 nan 8.290 nan 0.000 0.431 778 K N 4.748 125.204 120.400 0.094 0.000 3.165 778 K HA 0.307 4.627 4.320 -0.000 0.000 0.259 778 K C -0.949 175.721 176.600 0.118 0.000 1.282 778 K CA -0.183 56.166 56.287 0.102 0.000 1.259 778 K CB -0.826 31.750 32.500 0.126 0.000 1.546 778 K HN 0.649 nan 8.250 nan 0.000 0.384 779 L N 0.642 121.922 121.223 0.094 0.000 2.357 779 L HA 0.378 4.718 4.340 -0.000 0.000 0.273 779 L C -0.168 176.732 176.870 0.050 0.000 1.080 779 L CA -0.072 54.828 54.840 0.100 0.000 0.803 779 L CB 0.984 43.124 42.059 0.136 0.000 1.174 779 L HN 0.336 nan 8.230 nan 0.000 0.443 780 N N 1.466 120.183 118.700 0.029 0.000 2.284 780 N HA 0.241 4.980 4.740 -0.000 0.000 0.289 780 N C 0.026 175.525 175.510 -0.018 0.000 1.179 780 N CA -0.562 52.488 53.050 -0.001 0.000 0.774 780 N CB 1.851 40.337 38.487 -0.002 0.000 1.548 780 N HN 0.581 nan 8.380 nan 0.000 0.473 781 K N 0.868 121.248 120.400 -0.033 0.000 2.002 781 K HA -0.152 4.167 4.320 -0.000 0.000 0.209 781 K C 1.419 178.000 176.600 -0.031 0.000 1.048 781 K CA 1.564 57.828 56.287 -0.038 0.000 0.930 781 K CB -0.027 32.445 32.500 -0.047 0.000 0.714 781 K HN 0.601 nan 8.250 nan 0.000 0.438 782 E N 1.102 121.281 120.200 -0.034 0.000 2.358 782 E HA -0.123 4.227 4.350 -0.000 0.000 0.195 782 E C 1.911 178.507 176.600 -0.006 0.000 1.010 782 E CA 0.697 57.075 56.400 -0.036 0.000 0.856 782 E CB -0.234 29.430 29.700 -0.060 0.000 0.795 782 E HN 0.361 nan 8.360 nan 0.000 0.504 783 M N 1.012 120.618 119.600 0.011 0.000 2.132 783 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 783 M C 2.084 178.431 176.300 0.078 0.000 1.065 783 M CA 1.198 56.541 55.300 0.071 0.000 1.122 783 M CB 0.134 32.736 32.600 0.003 0.000 1.365 783 M HN -0.024 nan 8.290 nan 0.000 0.411 784 V N -0.102 119.812 119.914 -0.000 0.000 2.548 784 V HA -0.210 3.909 4.120 -0.000 0.000 0.249 784 V C 1.802 177.902 176.094 0.009 0.000 1.055 784 V CA 1.682 63.968 62.300 -0.022 0.000 1.065 784 V CB -0.736 31.058 31.823 -0.048 0.000 0.681 784 V HN 0.484 nan 8.190 nan 0.000 0.462 785 E N 0.645 120.848 120.200 0.004 0.000 2.106 785 E HA -0.106 4.243 4.350 -0.000 0.000 0.192 785 E C 2.362 178.974 176.600 0.019 0.000 0.984 785 E CA 1.106 57.505 56.400 -0.002 0.000 0.806 785 E CB -0.520 29.167 29.700 -0.022 0.000 0.750 785 E HN 0.622 nan 8.360 nan 0.000 0.458 786 G N 1.067 109.888 108.800 0.035 0.000 2.469 786 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.219 786 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.219 786 G C 1.518 176.488 174.900 0.116 0.000 1.150 786 G CA 1.042 46.134 45.100 -0.014 0.000 0.763 786 G HN 0.155 nan 8.290 nan 0.000 0.561 787 M N -0.093 119.654 119.600 0.245 0.000 2.374 787 M HA 0.158 4.638 4.480 -0.000 0.000 0.264 787 M C 1.682 178.067 176.300 0.141 0.000 1.067 787 M CA 1.133 56.569 55.300 0.228 0.000 1.103 787 M CB 0.194 32.907 32.600 0.188 0.000 1.402 787 M HN 0.416 nan 8.290 nan 0.000 0.444 788 G N 0.763 109.614 108.800 0.085 0.000 2.226 788 G HA2 0.136 4.096 3.960 -0.000 0.000 0.176 788 G HA3 0.136 4.096 3.960 -0.000 0.000 0.176 788 G C 0.281 175.188 174.900 0.012 0.000 1.042 788 G CA -0.192 44.938 45.100 0.050 0.000 0.732 788 G HN 0.907 nan 8.290 nan 0.000 0.494 789 G N -1.307 107.478 108.800 -0.026 0.000 2.814 789 G HA2 0.239 4.199 3.960 -0.000 0.000 0.677 789 G HA3 0.239 4.199 3.960 -0.000 0.000 0.677 789 G C 1.090 175.847 174.900 -0.238 0.000 1.429 789 G CA 0.764 45.802 45.100 -0.103 0.000 0.868 789 G HN 2.026 nan 8.290 nan 0.000 0.553 790 T N -2.780 111.549 114.554 -0.375 0.000 3.139 790 T HA 0.024 4.374 4.350 -0.000 0.000 0.267 790 T C 1.432 175.819 174.700 -0.522 0.000 1.164 790 T CA 2.184 63.811 62.100 -0.789 0.000 1.075 790 T CB -0.121 68.446 68.868 -0.503 0.000 0.904 790 T HN 0.791 nan 8.240 nan 0.000 0.540 791 Q N 0.903 120.587 119.800 -0.194 0.000 2.127 791 Q HA 0.251 4.591 4.340 -0.000 0.000 0.222 791 Q C 0.494 176.522 176.000 0.047 0.000 0.794 791 Q CA -0.284 55.502 55.803 -0.030 0.000 1.010 791 Q CB 0.907 29.627 28.738 -0.030 0.000 1.170 791 Q HN 0.632 nan 8.270 nan 0.000 0.479 792 S N 0.717 116.461 115.700 0.073 0.000 2.655 792 S HA 0.070 4.539 4.470 -0.000 0.000 0.265 792 S C 0.955 175.650 174.600 0.158 0.000 1.240 792 S CA -0.375 57.889 58.200 0.107 0.000 0.986 792 S CB 1.227 64.493 63.200 0.109 0.000 0.985 792 S HN 0.404 nan 8.310 nan 0.000 0.562 793 E N -0.286 119.991 120.200 0.129 0.000 2.385 793 E HA -0.082 4.268 4.350 -0.000 0.000 0.194 793 E C 1.393 178.078 176.600 0.142 0.000 1.013 793 E CA 0.307 56.783 56.400 0.127 0.000 0.866 793 E CB -0.181 29.573 29.700 0.091 0.000 0.832 793 E HN 0.583 nan 8.360 nan 0.000 0.500 794 Q N 0.074 119.969 119.800 0.159 0.000 2.049 794 Q HA -0.121 4.219 4.340 -0.000 0.000 0.198 794 Q C 1.644 177.779 176.000 0.225 0.000 0.971 794 Q CA 1.595 57.501 55.803 0.172 0.000 0.833 794 Q CB -0.775 28.068 28.738 0.174 0.000 0.896 794 Q HN 0.472 nan 8.270 nan 0.000 0.434 795 Y N 1.368 121.741 120.300 0.122 0.000 2.228 795 Y HA -0.318 4.232 4.550 -0.000 0.000 0.285 795 Y C 1.838 177.872 175.900 0.224 0.000 1.178 795 Y CA 1.647 59.837 58.100 0.149 0.000 1.202 795 Y CB 0.103 38.615 38.460 0.086 0.000 0.974 795 Y HN 0.118 nan 8.280 nan 0.000 0.527 796 Q N 0.055 119.944 119.800 0.149 0.000 2.049 796 Q HA -0.205 4.135 4.340 -0.000 0.000 0.198 796 Q C 2.225 178.225 176.000 -0.001 0.000 0.971 796 Q CA 1.755 57.587 55.803 0.049 0.000 0.833 796 Q CB -0.555 28.249 28.738 0.110 0.000 0.896 796 Q HN 0.576 nan 8.270 nan 0.000 0.434 797 E N 0.664 120.893 120.200 0.048 0.000 2.118 797 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 797 E C 1.687 178.278 176.600 -0.015 0.000 0.992 797 E CA 0.884 57.294 56.400 0.016 0.000 0.804 797 E CB -0.425 29.310 29.700 0.058 0.000 0.741 797 E HN 0.269 nan 8.360 nan 0.000 0.458 798 F N 1.148 121.028 119.950 -0.116 0.000 2.069 798 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 798 F C 2.128 177.799 175.800 -0.215 0.000 1.113 798 F CA 2.021 59.934 58.000 -0.144 0.000 1.214 798 F CB -0.297 38.620 39.000 -0.138 0.000 0.978 798 F HN -0.076 nan 8.300 nan 0.000 0.474 799 R N 0.277 120.537 120.500 -0.402 0.000 2.096 799 R HA -0.158 4.181 4.340 -0.000 0.000 0.235 799 R C 2.396 178.427 176.300 -0.448 0.000 1.127 799 R CA 1.546 57.374 56.100 -0.453 0.000 0.968 799 R CB -0.422 29.723 30.300 -0.257 0.000 0.861 799 R HN 0.308 nan 8.270 nan 0.000 0.440 800 K N 0.452 120.591 120.400 -0.436 0.000 2.057 800 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 800 K C 2.094 178.215 176.600 -0.799 0.000 1.049 800 K CA 1.267 57.112 56.287 -0.735 0.000 0.931 800 K CB 0.183 32.480 32.500 -0.338 0.000 0.714 800 K HN 0.177 nan 8.250 nan 0.000 0.440 801 Q N -0.119 119.408 119.800 -0.455 0.000 2.172 801 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 801 Q C 2.374 178.195 176.000 -0.298 0.000 0.964 801 Q CA 0.848 56.471 55.803 -0.300 0.000 0.855 801 Q CB -0.363 28.269 28.738 -0.177 0.000 0.918 801 Q HN 0.403 nan 8.270 nan 0.000 0.444 802 C N 0.997 120.037 119.300 -0.434 0.000 2.413 802 C HA -0.201 4.259 4.460 -0.000 0.000 0.278 802 C C 2.766 177.690 174.990 -0.110 0.000 1.224 802 C CA 1.319 60.133 59.018 -0.340 0.000 1.732 802 C CB -1.367 26.064 27.740 -0.516 0.000 2.050 802 C HN 0.689 nan 8.230 nan 0.000 0.463 803 Y N 2.391 122.639 120.300 -0.088 0.000 2.314 803 Y HA -0.063 4.487 4.550 -0.000 0.000 0.293 803 Y C 2.421 178.369 175.900 0.080 0.000 1.129 803 Y CA 1.606 59.730 58.100 0.039 0.000 1.201 803 Y CB -1.921 36.546 38.460 0.012 0.000 0.999 803 Y HN 0.398 nan 8.280 nan 0.000 0.541 804 T N -1.186 113.331 114.554 -0.061 0.000 2.737 804 T HA -0.103 4.247 4.350 -0.000 0.000 0.265 804 T C 2.185 176.943 174.700 0.097 0.000 1.038 804 T CA 1.329 63.433 62.100 0.008 0.000 1.144 804 T CB -1.082 67.737 68.868 -0.081 0.000 0.866 804 T HN 0.457 nan 8.240 nan 0.000 0.434 805 A N 0.853 123.747 122.820 0.123 0.000 1.933 805 A HA 0.075 4.394 4.320 -0.000 0.000 0.218 805 A C 2.039 179.787 177.584 0.273 0.000 1.175 805 A CA 1.372 53.530 52.037 0.203 0.000 0.628 805 A CB -1.178 17.894 19.000 0.120 0.000 0.814 805 A HN 0.492 nan 8.150 nan 0.000 0.444 806 F N 0.523 120.535 119.950 0.104 0.000 2.269 806 F HA -0.063 4.464 4.527 -0.000 0.000 0.301 806 F C 1.765 177.663 175.800 0.164 0.000 1.082 806 F CA 1.172 59.266 58.000 0.157 0.000 1.360 806 F CB -0.203 38.880 39.000 0.138 0.000 1.041 806 F HN 0.148 nan 8.300 nan 0.000 0.512 807 L N -1.420 119.809 121.223 0.009 0.000 2.095 807 L HA -0.160 4.180 4.340 -0.000 0.000 0.204 807 L C 2.589 179.380 176.870 -0.132 0.000 1.080 807 L CA 0.792 55.544 54.840 -0.146 0.000 0.759 807 L CB -1.088 40.892 42.059 -0.130 0.000 0.914 807 L HN 0.062 nan 8.230 nan 0.000 0.439 808 H N 0.478 119.544 119.070 -0.006 0.000 2.352 808 H HA -0.106 4.450 4.556 -0.000 0.000 0.299 808 H C 2.364 177.705 175.328 0.022 0.000 1.097 808 H CA 1.538 57.585 56.048 -0.003 0.000 1.311 808 H CB -0.109 29.692 29.762 0.066 0.000 1.377 808 H HN 0.274 nan 8.280 nan 0.000 0.504 809 L N -0.054 121.311 121.223 0.236 0.000 2.072 809 L HA -0.115 4.224 4.340 -0.000 0.000 0.205 809 L C 2.800 179.719 176.870 0.082 0.000 1.079 809 L CA 0.792 55.805 54.840 0.287 0.000 0.752 809 L CB -0.301 41.989 42.059 0.385 0.000 0.906 809 L HN 0.080 nan 8.230 nan 0.000 0.436 810 R N -0.020 120.425 120.500 -0.091 0.000 2.154 810 R HA -0.201 4.139 4.340 -0.000 0.000 0.248 810 R C 2.382 178.440 176.300 -0.404 0.000 1.155 810 R CA 1.479 57.357 56.100 -0.371 0.000 0.979 810 R CB -0.245 29.822 30.300 -0.389 0.000 0.869 810 R HN 0.320 nan 8.270 nan 0.000 0.452 811 R N -0.977 119.321 120.500 -0.336 0.000 2.152 811 R HA -0.142 4.197 4.340 -0.000 0.000 0.232 811 R C 0.768 176.759 176.300 -0.516 0.000 1.117 811 R CA 1.158 56.995 56.100 -0.438 0.000 0.981 811 R CB 0.017 30.002 30.300 -0.526 0.000 0.870 811 R HN 0.330 nan 8.270 nan 0.000 0.451 812 Y N -0.212 120.003 120.300 -0.143 0.000 2.607 812 Y HA 0.105 4.655 4.550 -0.000 0.000 0.266 812 Y C 1.953 177.736 175.900 -0.196 0.000 1.178 812 Y CA -0.209 57.825 58.100 -0.111 0.000 1.226 812 Y CB 0.062 38.509 38.460 -0.022 0.000 1.144 812 Y HN 0.043 nan 8.280 nan 0.000 0.528 813 S N -0.275 115.196 115.700 -0.382 0.000 2.380 813 S HA -0.307 4.163 4.470 -0.000 0.000 0.229 813 S C 1.845 176.363 174.600 -0.138 0.000 1.043 813 S CA 1.922 59.770 58.200 -0.586 0.000 1.038 813 S CB -0.476 62.090 63.200 -1.057 0.000 0.872 813 S HN 0.456 nan 8.310 nan 0.000 0.456 814 N N 1.733 120.377 118.700 -0.094 0.000 2.037 814 N HA -0.078 4.661 4.740 -0.000 0.000 0.196 814 N C 1.633 177.157 175.510 0.024 0.000 1.034 814 N CA 1.442 54.483 53.050 -0.015 0.000 0.861 814 N CB -0.785 37.692 38.487 -0.016 0.000 1.039 814 N HN 0.395 nan 8.380 nan 0.000 0.427 815 L N 0.726 121.978 121.223 0.047 0.000 2.012 815 L HA -0.035 4.305 4.340 -0.000 0.000 0.210 815 L C 1.797 178.693 176.870 0.044 0.000 1.073 815 L CA 1.460 56.315 54.840 0.025 0.000 0.748 815 L CB -0.622 41.471 42.059 0.058 0.000 0.891 815 L HN 0.229 nan 8.230 nan 0.000 0.431 816 I N -1.023 119.622 120.570 0.125 0.000 2.179 816 I HA -0.325 3.845 4.170 -0.000 0.000 0.242 816 I C 2.365 178.659 176.117 0.295 0.000 1.088 816 I CA 1.347 62.775 61.300 0.213 0.000 1.357 816 I CB -0.389 37.852 38.000 0.401 0.000 1.051 816 I HN 0.234 nan 8.210 nan 0.000 0.409 817 L N 0.355 121.741 121.223 0.271 0.000 2.131 817 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 817 L C 2.177 179.164 176.870 0.196 0.000 1.092 817 L CA 1.105 56.105 54.840 0.268 0.000 0.759 817 L CB -0.799 41.365 42.059 0.175 0.000 0.903 817 L HN 0.329 nan 8.230 nan 0.000 0.435 818 N N 0.214 118.978 118.700 0.108 0.000 2.188 818 N HA -0.098 4.641 4.740 -0.000 0.000 0.184 818 N C 1.960 177.486 175.510 0.027 0.000 1.018 818 N CA 1.039 54.121 53.050 0.054 0.000 0.858 818 N CB -0.251 38.229 38.487 -0.012 0.000 0.989 818 N HN 0.262 nan 8.380 nan 0.000 0.426 819 L N -0.652 120.560 121.223 -0.018 0.000 2.046 819 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 819 L C 1.874 178.681 176.870 -0.105 0.000 1.077 819 L CA 0.981 55.759 54.840 -0.102 0.000 0.747 819 L CB -0.401 41.550 42.059 -0.180 0.000 0.896 819 L HN 0.032 nan 8.230 nan 0.000 0.432 820 F N 0.070 120.040 119.950 0.033 0.000 2.102 820 F HA -0.227 4.300 4.527 0.001 0.000 0.298 820 F C 2.820 178.648 175.800 0.047 0.000 1.105 820 F CA 1.575 59.597 58.000 0.036 0.000 1.239 820 F CB -0.819 38.205 39.000 0.040 0.000 0.991 820 F HN -0.046 nan 8.300 nan 0.000 0.474 821 S N 0.393 116.239 115.700 0.244 0.000 2.372 821 S HA -0.227 4.243 4.470 -0.000 0.000 0.227 821 S C 2.024 176.708 174.600 0.139 0.000 1.044 821 S CA 1.316 59.615 58.200 0.166 0.000 1.050 821 S CB -0.761 62.528 63.200 0.148 0.000 0.901 821 S HN 0.283 nan 8.310 nan 0.000 0.447 822 L N -0.154 121.147 121.223 0.130 0.000 2.642 822 L HA 0.040 4.380 4.340 -0.000 0.000 0.236 822 L C 1.787 178.761 176.870 0.175 0.000 1.169 822 L CA 0.544 55.492 54.840 0.181 0.000 0.851 822 L CB -0.250 41.880 42.059 0.118 0.000 0.968 822 L HN 0.303 nan 8.230 nan 0.000 0.453 823 M N -1.667 118.018 119.600 0.142 0.000 2.306 823 M HA 0.042 4.522 4.480 -0.000 0.000 0.292 823 M C 1.585 177.968 176.300 0.139 0.000 1.018 823 M CA 0.238 55.606 55.300 0.114 0.000 1.007 823 M CB 0.600 33.248 32.600 0.081 0.000 1.510 823 M HN 0.085 nan 8.290 nan 0.000 0.537 824 V N -2.267 117.743 119.914 0.160 0.000 2.867 824 V HA -0.114 4.005 4.120 -0.000 0.000 0.260 824 V C 0.293 176.457 176.094 0.117 0.000 1.099 824 V CA 2.185 64.561 62.300 0.127 0.000 1.122 824 V CB -0.712 31.167 31.823 0.095 0.000 0.708 824 V HN 0.403 nan 8.190 nan 0.000 0.490 825 D N 0.544 121.032 120.400 0.147 0.000 2.469 825 D HA 0.553 5.192 4.640 -0.000 0.000 0.215 825 D C 0.869 177.214 176.300 0.075 0.000 1.154 825 D CA 0.627 54.698 54.000 0.119 0.000 0.832 825 D CB 0.580 41.482 40.800 0.169 0.000 1.008 825 D HN 0.692 nan 8.370 nan 0.000 0.506 826 A N 0.563 123.420 122.820 0.063 0.000 2.386 826 A HA 0.183 4.502 4.320 -0.000 0.000 0.248 826 A C 0.458 178.056 177.584 0.024 0.000 1.082 826 A CA -0.314 51.740 52.037 0.028 0.000 0.789 826 A CB 0.264 19.271 19.000 0.011 0.000 1.025 826 A HN 0.155 nan 8.150 nan 0.000 0.490 827 N N 1.211 119.915 118.700 0.006 0.000 2.819 827 N HA 0.225 4.964 4.740 -0.000 0.000 0.284 827 N C -1.167 174.342 175.510 -0.000 0.000 1.196 827 N CA 0.411 53.463 53.050 0.003 0.000 1.114 827 N CB -0.174 38.309 38.487 -0.006 0.000 1.437 827 N HN 0.461 nan 8.380 nan 0.000 0.518 828 I N 2.293 122.869 120.570 0.009 0.000 2.497 828 I HA 0.208 4.378 4.170 -0.000 0.000 0.284 828 I C -1.799 174.322 176.117 0.007 0.000 1.060 828 I CA -2.073 59.232 61.300 0.009 0.000 1.071 828 I CB 2.362 40.375 38.000 0.022 0.000 1.216 828 I HN 0.018 nan 8.210 nan 0.000 0.442 829 P HA -0.222 nan 4.420 nan 0.000 0.218 829 P C 0.684 177.975 177.300 -0.015 0.000 1.165 829 P CA 1.663 64.750 63.100 -0.021 0.000 0.922 829 P CB 0.215 31.885 31.700 -0.050 0.000 0.794 830 D N -1.879 118.512 120.400 -0.015 0.000 2.371 830 D HA -0.015 4.625 4.640 -0.000 0.000 0.221 830 D C 1.825 178.132 176.300 0.011 0.000 0.986 830 D CA 0.605 54.602 54.000 -0.005 0.000 0.899 830 D CB -0.397 40.402 40.800 -0.002 0.000 0.902 830 D HN 0.277 nan 8.370 nan 0.000 0.530 831 I N 0.337 120.922 120.570 0.025 0.000 2.512 831 I HA -0.033 4.136 4.170 -0.000 0.000 0.247 831 I C 2.314 178.448 176.117 0.028 0.000 1.094 831 I CA 0.379 61.701 61.300 0.036 0.000 1.427 831 I CB -0.139 37.901 38.000 0.066 0.000 1.149 831 I HN -0.104 nan 8.210 nan 0.000 0.438 832 A N 0.938 123.772 122.820 0.024 0.000 2.024 832 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 832 A C 2.192 179.785 177.584 0.014 0.000 1.164 832 A CA 1.375 53.424 52.037 0.021 0.000 0.643 832 A CB -0.662 18.347 19.000 0.015 0.000 0.806 832 A HN 0.327 nan 8.150 nan 0.000 0.451 833 L N -0.764 120.464 121.223 0.008 0.000 2.012 833 L HA -0.075 4.264 4.340 -0.000 0.000 0.210 833 L C 0.627 177.501 176.870 0.008 0.000 1.073 833 L CA 1.915 56.758 54.840 0.006 0.000 0.748 833 L CB -0.339 41.721 42.059 0.003 0.000 0.891 833 L HN 0.509 nan 8.230 nan 0.000 0.431 834 E N -2.265 117.940 120.200 0.008 0.000 3.284 834 E HA 0.131 4.481 4.350 -0.000 0.000 0.277 834 E C -1.967 174.639 176.600 0.010 0.000 1.218 834 E CA -0.995 55.409 56.400 0.006 0.000 0.925 834 E CB 1.042 30.742 29.700 -0.000 0.000 1.409 834 E HN 0.054 nan 8.360 nan 0.000 0.388 835 P HA -0.235 nan 4.420 nan 0.000 0.217 835 P C 0.709 178.024 177.300 0.026 0.000 1.162 835 P CA 1.352 64.470 63.100 0.030 0.000 0.901 835 P CB 0.306 32.026 31.700 0.035 0.000 0.793 836 D N -1.057 119.354 120.400 0.018 0.000 2.178 836 D HA -0.121 4.519 4.640 -0.000 0.000 0.201 836 D C 1.510 177.814 176.300 0.006 0.000 0.980 836 D CA 1.168 55.178 54.000 0.017 0.000 0.842 836 D CB -0.403 40.403 40.800 0.011 0.000 0.948 836 D HN 0.270 nan 8.370 nan 0.000 0.472 837 K N -0.598 119.800 120.400 -0.004 0.000 2.404 837 K HA 0.117 4.436 4.320 -0.000 0.000 0.194 837 K C 1.618 178.195 176.600 -0.037 0.000 1.023 837 K CA 0.237 56.513 56.287 -0.019 0.000 1.094 837 K CB 0.471 32.959 32.500 -0.020 0.000 0.841 837 K HN -0.030 nan 8.250 nan 0.000 0.523 838 T N 0.757 115.293 114.554 -0.030 0.000 2.770 838 T HA -0.086 4.264 4.350 -0.000 0.000 0.263 838 T C 1.924 176.547 174.700 -0.128 0.000 1.039 838 T CA 1.016 63.076 62.100 -0.066 0.000 1.142 838 T CB -0.001 68.858 68.868 -0.015 0.000 0.868 838 T HN -0.061 nan 8.240 nan 0.000 0.435 839 V N 1.276 121.158 119.914 -0.053 0.000 2.490 839 V HA -0.116 4.004 4.120 -0.000 0.000 0.250 839 V C 2.428 178.484 176.094 -0.063 0.000 1.061 839 V CA 1.468 63.745 62.300 -0.039 0.000 1.064 839 V CB -0.445 31.410 31.823 0.054 0.000 0.670 839 V HN 0.290 nan 8.190 nan 0.000 0.461 840 K N 0.336 120.704 120.400 -0.054 0.000 2.155 840 K HA -0.110 4.210 4.320 -0.000 0.000 0.203 840 K C 2.045 178.597 176.600 -0.081 0.000 1.052 840 K CA 1.164 57.422 56.287 -0.048 0.000 0.948 840 K CB -0.154 32.324 32.500 -0.037 0.000 0.728 840 K HN 0.323 nan 8.250 nan 0.000 0.448 841 K N -0.530 119.795 120.400 -0.125 0.000 2.026 841 K HA -0.084 4.235 4.320 -0.000 0.000 0.208 841 K C 1.802 178.269 176.600 -0.223 0.000 1.048 841 K CA 1.415 57.607 56.287 -0.159 0.000 0.929 841 K CB -0.163 32.234 32.500 -0.172 0.000 0.713 841 K HN -0.081 nan 8.250 nan 0.000 0.439 842 V N 1.098 120.832 119.914 -0.301 0.000 2.270 842 V HA -0.283 3.837 4.120 -0.000 0.000 0.245 842 V C 2.465 178.463 176.094 -0.160 0.000 1.043 842 V CA 1.935 64.029 62.300 -0.343 0.000 1.014 842 V CB -0.586 30.945 31.823 -0.487 0.000 0.645 842 V HN 0.421 nan 8.190 nan 0.000 0.447 843 Q N -0.105 119.702 119.800 0.013 0.000 2.133 843 Q HA -0.318 4.021 4.340 -0.000 0.000 0.208 843 Q C 1.912 177.996 176.000 0.140 0.000 0.991 843 Q CA 2.431 58.340 55.803 0.177 0.000 0.867 843 Q CB -0.197 28.599 28.738 0.097 0.000 0.911 843 Q HN 0.651 nan 8.270 nan 0.000 0.417 844 D N 0.024 120.438 120.400 0.023 0.000 2.144 844 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 844 D C 1.714 178.037 176.300 0.039 0.000 0.978 844 D CA 0.924 54.937 54.000 0.021 0.000 0.833 844 D CB -0.031 40.758 40.800 -0.018 0.000 0.961 844 D HN 0.183 nan 8.370 nan 0.000 0.470 845 K N 0.037 120.396 120.400 -0.068 0.000 2.211 845 K HA -0.071 4.249 4.320 -0.000 0.000 0.203 845 K C 1.859 178.583 176.600 0.206 0.000 1.050 845 K CA 0.331 56.551 56.287 -0.111 0.000 0.945 845 K CB -0.358 31.789 32.500 -0.588 0.000 0.732 845 K HN 0.221 nan 8.250 nan 0.000 0.451 846 F N 1.489 121.566 119.950 0.211 0.000 2.293 846 F HA -0.041 4.486 4.527 -0.001 0.000 0.300 846 F C 0.593 176.521 175.800 0.214 0.000 1.086 846 F CA 0.558 58.696 58.000 0.229 0.000 1.375 846 F CB -0.109 38.925 39.000 0.056 0.000 1.045 846 F HN -0.051 nan 8.300 nan 0.000 0.516 847 R N 0.364 121.054 120.500 0.317 0.000 3.264 847 R HA -0.212 4.128 4.340 -0.000 0.000 0.251 847 R C 0.844 177.205 176.300 0.100 0.000 0.971 847 R CA 0.211 56.394 56.100 0.138 0.000 0.658 847 R CB -2.520 27.823 30.300 0.072 0.000 1.095 847 R HN 0.376 nan 8.270 nan 0.000 0.443 848 L N 0.379 121.658 121.223 0.093 0.000 2.456 848 L HA -0.141 4.199 4.340 -0.000 0.000 0.224 848 L C 2.197 179.077 176.870 0.016 0.000 1.148 848 L CA 1.596 56.451 54.840 0.025 0.000 0.825 848 L CB -0.230 41.838 42.059 0.015 0.000 0.937 848 L HN 0.355 nan 8.230 nan 0.000 0.450 849 D N -0.046 120.366 120.400 0.020 0.000 2.312 849 D HA -0.085 4.555 4.640 -0.000 0.000 0.211 849 D C 1.049 177.352 176.300 0.005 0.000 0.964 849 D CA 0.435 54.443 54.000 0.013 0.000 0.877 849 D CB 0.120 40.922 40.800 0.002 0.000 0.924 849 D HN 0.281 nan 8.370 nan 0.000 0.515 850 L N 0.481 121.707 121.223 0.005 0.000 2.642 850 L HA 0.173 4.513 4.340 -0.000 0.000 0.229 850 L C 1.544 178.419 176.870 0.009 0.000 1.179 850 L CA -0.260 54.589 54.840 0.015 0.000 0.834 850 L CB 0.843 42.926 42.059 0.040 0.000 1.515 850 L HN -0.023 nan 8.230 nan 0.000 0.512 851 S N -2.656 113.052 115.700 0.014 0.000 2.549 851 S HA 0.085 4.554 4.470 -0.000 0.000 0.225 851 S C 0.494 175.083 174.600 -0.017 0.000 1.039 851 S CA 0.145 58.342 58.200 -0.006 0.000 0.942 851 S CB 0.762 63.958 63.200 -0.007 0.000 0.881 851 S HN 0.824 nan 8.310 nan 0.000 0.503 852 D N 0.485 120.884 120.400 -0.003 0.000 2.010 852 D HA -0.163 4.477 4.640 -0.000 0.000 0.171 852 D C 0.894 177.188 176.300 -0.009 0.000 1.074 852 D CA 1.477 55.467 54.000 -0.017 0.000 1.063 852 D CB -1.278 39.495 40.800 -0.045 0.000 1.181 852 D HN 0.392 nan 8.370 nan 0.000 0.551 853 E N 1.039 121.236 120.200 -0.006 0.000 2.276 853 E HA 0.111 4.461 4.350 -0.000 0.000 0.193 853 E C 1.611 178.216 176.600 0.008 0.000 0.983 853 E CA 1.398 57.788 56.400 -0.016 0.000 0.861 853 E CB 0.183 29.869 29.700 -0.024 0.000 0.817 853 E HN 0.491 nan 8.360 nan 0.000 0.485 854 E N -1.030 119.197 120.200 0.046 0.000 2.434 854 E HA 0.262 4.611 4.350 -0.000 0.000 0.207 854 E C 1.675 178.388 176.600 0.187 0.000 0.929 854 E CA 0.423 56.886 56.400 0.104 0.000 1.001 854 E CB 0.445 30.188 29.700 0.072 0.000 1.016 854 E HN 0.227 nan 8.360 nan 0.000 0.502 855 A N 1.151 124.075 122.820 0.173 0.000 1.898 855 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 855 A C 2.385 180.169 177.584 0.334 0.000 1.181 855 A CA 1.006 53.231 52.037 0.313 0.000 0.620 855 A CB -0.627 18.501 19.000 0.212 0.000 0.819 855 A HN 0.098 nan 8.150 nan 0.000 0.442 856 V N -0.281 119.726 119.914 0.156 0.000 2.407 856 V HA -0.271 3.848 4.120 -0.000 0.000 0.248 856 V C 2.483 178.545 176.094 -0.054 0.000 1.055 856 V CA 2.193 64.481 62.300 -0.021 0.000 1.049 856 V CB -0.912 30.750 31.823 -0.268 0.000 0.662 856 V HN 0.790 nan 8.190 nan 0.000 0.455 857 H N -1.693 117.349 119.070 -0.047 0.000 2.436 857 H HA -0.157 4.399 4.556 -0.000 0.000 0.294 857 H C 2.241 177.592 175.328 0.039 0.000 1.048 857 H CA 1.762 57.792 56.048 -0.029 0.000 1.353 857 H CB 0.167 29.923 29.762 -0.009 0.000 1.414 857 H HN 0.539 nan 8.280 nan 0.000 0.536 858 Y N 0.882 121.176 120.300 -0.011 0.000 2.242 858 Y HA -0.195 4.354 4.550 -0.001 0.000 0.291 858 Y C 2.570 178.380 175.900 -0.150 0.000 1.137 858 Y CA 1.702 59.768 58.100 -0.057 0.000 1.181 858 Y CB -0.324 38.173 38.460 0.061 0.000 0.989 858 Y HN 0.177 nan 8.280 nan 0.000 0.527 859 M N 0.802 120.254 119.600 -0.246 0.000 2.086 859 M HA -0.230 4.250 4.480 -0.000 0.000 0.261 859 M C 2.004 178.081 176.300 -0.371 0.000 1.067 859 M CA 1.940 56.975 55.300 -0.442 0.000 1.116 859 M CB -0.688 31.803 32.600 -0.182 0.000 1.348 859 M HN 0.383 nan 8.290 nan 0.000 0.407 860 Q N -0.771 118.894 119.800 -0.225 0.000 2.124 860 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 860 Q C 2.005 177.870 176.000 -0.226 0.000 0.977 860 Q CA 1.945 57.644 55.803 -0.173 0.000 0.850 860 Q CB -0.236 28.428 28.738 -0.123 0.000 0.901 860 Q HN 0.596 nan 8.270 nan 0.000 0.429 861 S N 1.002 116.502 115.700 -0.333 0.000 2.382 861 S HA -0.124 4.346 4.470 -0.000 0.000 0.228 861 S C 1.881 176.312 174.600 -0.280 0.000 1.027 861 S CA 0.834 58.854 58.200 -0.300 0.000 0.991 861 S CB -0.172 62.840 63.200 -0.314 0.000 0.823 861 S HN 0.291 nan 8.310 nan 0.000 0.469 862 L N 0.746 121.716 121.223 -0.422 0.000 2.056 862 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 862 L C 2.158 178.894 176.870 -0.223 0.000 1.078 862 L CA 1.078 55.679 54.840 -0.398 0.000 0.749 862 L CB -0.363 41.305 42.059 -0.651 0.000 0.901 862 L HN 0.311 nan 8.230 nan 0.000 0.433 863 I N -0.597 119.864 120.570 -0.181 0.000 2.142 863 I HA -0.325 3.845 4.170 -0.000 0.000 0.240 863 I C 2.188 178.341 176.117 0.061 0.000 1.078 863 I CA 1.266 62.548 61.300 -0.031 0.000 1.343 863 I CB -0.468 37.524 38.000 -0.014 0.000 1.046 863 I HN 0.274 nan 8.210 nan 0.000 0.405 864 D N 0.920 121.347 120.400 0.045 0.000 2.127 864 D HA -0.240 4.400 4.640 -0.000 0.000 0.190 864 D C 2.047 178.391 176.300 0.074 0.000 1.000 864 D CA 1.641 55.693 54.000 0.088 0.000 0.839 864 D CB -0.347 40.475 40.800 0.038 0.000 0.955 864 D HN 0.397 nan 8.370 nan 0.000 0.446 865 E N 0.242 120.438 120.200 -0.007 0.000 2.114 865 E HA -0.176 4.174 4.350 -0.000 0.000 0.199 865 E C 2.241 178.856 176.600 0.025 0.000 1.008 865 E CA 1.247 57.639 56.400 -0.014 0.000 0.810 865 E CB -0.025 29.638 29.700 -0.061 0.000 0.739 865 E HN 0.062 nan 8.360 nan 0.000 0.456 866 S N -0.334 115.378 115.700 0.020 0.000 2.345 866 S HA -0.094 4.376 4.470 -0.000 0.000 0.219 866 S C 2.131 176.763 174.600 0.054 0.000 1.031 866 S CA 0.779 58.996 58.200 0.028 0.000 0.984 866 S CB -0.003 63.212 63.200 0.025 0.000 0.874 866 S HN 0.052 nan 8.310 nan 0.000 0.451 867 V N 2.179 122.155 119.914 0.105 0.000 2.220 867 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 867 V C 2.368 178.527 176.094 0.108 0.000 1.049 867 V CA 2.094 64.459 62.300 0.109 0.000 1.003 867 V CB -0.972 30.957 31.823 0.177 0.000 0.634 867 V HN 0.587 nan 8.190 nan 0.000 0.444 868 H N 0.616 119.731 119.070 0.075 0.000 2.394 868 H HA -0.242 4.314 4.556 -0.000 0.000 0.297 868 H C 2.234 177.634 175.328 0.120 0.000 1.113 868 H CA 2.170 58.296 56.048 0.129 0.000 1.277 868 H CB -0.156 29.668 29.762 0.105 0.000 1.370 868 H HN 0.414 nan 8.280 nan 0.000 0.506 869 A N 0.792 123.708 122.820 0.160 0.000 1.865 869 A HA -0.140 4.179 4.320 -0.000 0.000 0.217 869 A C 2.927 180.250 177.584 -0.435 0.000 1.191 869 A CA 1.631 53.643 52.037 -0.042 0.000 0.623 869 A CB -0.924 18.053 19.000 -0.038 0.000 0.826 869 A HN 0.408 nan 8.150 nan 0.000 0.444 870 L N -2.509 118.523 121.223 -0.320 0.000 2.056 870 L HA 0.038 4.378 4.340 -0.000 0.000 0.207 870 L C 0.379 176.905 176.870 -0.573 0.000 1.078 870 L CA 0.359 54.955 54.840 -0.407 0.000 0.749 870 L CB -0.577 41.385 42.059 -0.161 0.000 0.901 870 L HN 0.423 nan 8.230 nan 0.000 0.433 871 F N 0.000 119.910 119.950 -0.067 0.000 2.286 871 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 871 F CA 0.000 57.936 58.000 -0.107 0.000 1.383 871 F CB 0.000 38.941 39.000 -0.099 0.000 1.145 871 F HN 0.000 nan 8.300 nan 0.000 0.574