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 2h1l_1_L DATA FIRST_RESID 265 DATA SEQUENCE TKQVSWKLVT EYAMETKCDD VLLLLGMYLE FQYSFEMCLK CIKKEQPSHY DATA SEQUENCE KYHEKHYANA AIFADSKNQK TICQQAVDTV LAKKRVDSLQ LTREQMLTNR DATA SEQUENCE FNDLLDRMDI MFGSTGSADI EEWMAGVAWL HCLLPKMDSV VYDFLKCMVY DATA SEQUENCE NIPKKRYWLF KGPIDSGKTT LAAALLELCG GKALNVNLPL DRLNFELGVA DATA SEQUENCE IDQFLVVFED VKGTGGESRD LPSGQGINNL DNLRDYLDGS VKVNLEKKHL DATA SEQUENCE NKRTQIFPPG IVTMNEYSVP KTLQARFVKQ IDFRPKDYLK HCLERSEFLL DATA SEQUENCE EKRIIQSGIA LLLMLIWYRP VAEFAQSIQS RIVEWKERLD KEFSLSVYQK DATA SEQUENCE MKFNVAMGIG VLD 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 265 T HA 0.000 nan 4.350 nan 0.000 0.228 265 T C 0.000 174.722 174.700 0.036 0.000 1.109 265 T CA 0.000 62.118 62.100 0.030 0.000 1.349 265 T CB 0.000 68.884 68.868 0.027 0.000 0.612 266 K N 0.497 120.916 120.400 0.031 0.000 2.574 266 K HA 0.081 4.401 4.320 -0.000 0.000 0.193 266 K C 0.679 177.304 176.600 0.042 0.000 1.035 266 K CA 0.485 56.790 56.287 0.031 0.000 0.982 266 K CB -0.448 32.065 32.500 0.023 0.000 0.795 266 K HN 0.604 nan 8.250 nan 0.000 0.491 267 Q N 0.422 120.257 119.800 0.058 0.000 2.199 267 Q HA 0.294 4.634 4.340 -0.000 0.000 0.232 267 Q C 0.192 176.265 176.000 0.121 0.000 0.969 267 Q CA -0.772 55.084 55.803 0.090 0.000 0.925 267 Q CB 1.555 30.356 28.738 0.105 0.000 1.198 267 Q HN 0.011 nan 8.270 nan 0.000 0.494 268 V N -1.411 118.605 119.914 0.168 0.000 2.953 268 V HA 0.312 4.432 4.120 -0.000 0.000 0.304 268 V C 0.081 176.340 176.094 0.274 0.000 1.073 268 V CA -0.693 61.730 62.300 0.205 0.000 1.064 268 V CB 1.549 33.500 31.823 0.213 0.000 1.047 268 V HN 0.722 nan 8.190 nan 0.000 0.478 269 S N 2.606 118.448 115.700 0.237 0.000 2.464 269 S HA 0.243 4.712 4.470 -0.000 0.000 0.313 269 S C 0.412 175.184 174.600 0.287 0.000 1.078 269 S CA -0.567 57.777 58.200 0.239 0.000 1.096 269 S CB -0.413 62.877 63.200 0.149 0.000 1.032 269 S HN 0.756 nan 8.310 nan 0.000 0.498 270 W N 4.029 125.357 121.300 0.047 0.000 2.325 270 W HA -0.082 4.578 4.660 -0.000 0.000 0.299 270 W C 2.329 178.853 176.519 0.008 0.000 1.215 270 W CA 1.013 58.376 57.345 0.029 0.000 1.244 270 W CB -0.257 29.215 29.460 0.021 0.000 1.140 270 W HN 0.600 nan 8.180 nan 0.000 0.523 271 K N 0.121 120.675 120.400 0.256 0.000 2.147 271 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 271 K C 1.835 178.507 176.600 0.120 0.000 1.049 271 K CA 1.126 57.504 56.287 0.150 0.000 0.936 271 K CB -0.385 32.182 32.500 0.111 0.000 0.722 271 K HN 0.201 nan 8.250 nan 0.000 0.446 272 L N 0.215 121.515 121.223 0.128 0.000 2.131 272 L HA -0.101 4.239 4.340 -0.000 0.000 0.206 272 L C 2.204 179.198 176.870 0.206 0.000 1.087 272 L CA 0.523 55.463 54.840 0.166 0.000 0.767 272 L CB -0.138 41.991 42.059 0.118 0.000 0.917 272 L HN 0.008 nan 8.230 nan 0.000 0.441 273 V N -0.486 119.403 119.914 -0.041 0.000 2.594 273 V HA -0.240 3.879 4.120 -0.000 0.000 0.253 273 V C 2.477 178.445 176.094 -0.210 0.000 1.069 273 V CA 2.006 64.043 62.300 -0.439 0.000 1.082 273 V CB -0.668 30.752 31.823 -0.671 0.000 0.680 273 V HN 0.465 nan 8.190 nan 0.000 0.469 274 T N -0.712 113.806 114.554 -0.060 0.000 2.732 274 T HA -0.172 4.178 4.350 -0.000 0.000 0.261 274 T C 1.886 176.582 174.700 -0.007 0.000 1.040 274 T CA 1.465 63.544 62.100 -0.035 0.000 1.145 274 T CB -0.166 68.717 68.868 0.025 0.000 0.866 274 T HN 0.555 nan 8.240 nan 0.000 0.427 275 E N -0.183 120.060 120.200 0.072 0.000 2.130 275 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 275 E C 1.932 178.594 176.600 0.103 0.000 0.998 275 E CA 1.219 57.684 56.400 0.108 0.000 0.806 275 E CB -0.168 29.637 29.700 0.174 0.000 0.738 275 E HN 0.601 nan 8.360 nan 0.000 0.459 276 Y N 0.289 120.579 120.300 -0.016 0.000 2.220 276 Y HA -0.066 4.484 4.550 -0.000 0.000 0.291 276 Y C 1.951 177.686 175.900 -0.275 0.000 1.129 276 Y CA 1.391 59.363 58.100 -0.213 0.000 1.161 276 Y CB -0.617 37.598 38.460 -0.408 0.000 0.997 276 Y HN 0.067 nan 8.280 nan 0.000 0.522 277 A N -0.104 122.495 122.820 -0.368 0.000 1.972 277 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 277 A C 2.155 179.544 177.584 -0.325 0.000 1.169 277 A CA 1.916 53.702 52.037 -0.420 0.000 0.635 277 A CB -0.750 18.102 19.000 -0.247 0.000 0.810 277 A HN 0.538 nan 8.150 nan 0.000 0.446 278 M N -0.280 119.193 119.600 -0.211 0.000 2.077 278 M HA -0.065 4.415 4.480 -0.000 0.000 0.261 278 M C 1.918 178.127 176.300 -0.152 0.000 1.070 278 M CA 1.463 56.682 55.300 -0.135 0.000 1.125 278 M CB -0.566 32.000 32.600 -0.057 0.000 1.339 278 M HN 0.395 nan 8.290 nan 0.000 0.409 279 E N -0.432 119.663 120.200 -0.175 0.000 2.023 279 E HA -0.183 4.167 4.350 -0.000 0.000 0.196 279 E C 1.898 178.370 176.600 -0.213 0.000 1.003 279 E CA 2.201 58.524 56.400 -0.129 0.000 0.809 279 E CB -1.215 28.431 29.700 -0.090 0.000 0.755 279 E HN 0.650 nan 8.360 nan 0.000 0.449 280 T N -0.531 113.753 114.554 -0.449 0.000 3.113 280 T HA -0.027 4.323 4.350 -0.000 0.000 0.263 280 T C 0.772 175.320 174.700 -0.253 0.000 1.143 280 T CA 0.351 62.218 62.100 -0.389 0.000 1.090 280 T CB -0.019 68.472 68.868 -0.628 0.000 0.922 280 T HN -0.004 nan 8.240 nan 0.000 0.521 281 K N -0.228 120.039 120.400 -0.223 0.000 3.071 281 K HA -0.160 4.160 4.320 -0.000 0.000 0.265 281 K C 0.109 176.615 176.600 -0.157 0.000 1.060 281 K CA 0.454 56.650 56.287 -0.152 0.000 0.767 281 K CB -2.614 29.825 32.500 -0.102 0.000 1.241 281 K HN 0.664 nan 8.250 nan 0.000 0.486 282 C N 2.414 121.586 119.300 -0.214 0.000 2.482 282 C HA 0.207 4.667 4.460 -0.000 0.000 0.378 282 C C 0.862 175.767 174.990 -0.143 0.000 1.284 282 C CA 0.057 58.962 59.018 -0.188 0.000 1.826 282 C CB -0.436 27.150 27.740 -0.257 0.000 2.473 282 C HN 0.492 nan 8.230 nan 0.000 0.562 283 D N 2.595 122.932 120.400 -0.106 0.000 2.772 283 D HA 0.218 4.858 4.640 -0.000 0.000 0.272 283 D C -0.532 175.723 176.300 -0.075 0.000 1.314 283 D CA -0.016 53.932 54.000 -0.085 0.000 0.835 283 D CB -0.019 40.740 40.800 -0.068 0.000 1.080 283 D HN 0.495 nan 8.370 nan 0.000 0.482 284 D N 0.607 120.958 120.400 -0.081 0.000 2.473 284 D HA 0.081 4.721 4.640 -0.000 0.000 0.253 284 D C 1.243 177.501 176.300 -0.070 0.000 1.233 284 D CA -0.612 53.347 54.000 -0.068 0.000 0.908 284 D CB 2.236 43.000 40.800 -0.060 0.000 1.170 284 D HN -0.121 nan 8.370 nan 0.000 0.558 285 V N 4.324 124.200 119.914 -0.063 0.000 2.231 285 V HA -0.287 3.833 4.120 -0.000 0.000 0.250 285 V C 2.658 178.721 176.094 -0.051 0.000 1.058 285 V CA 1.572 63.836 62.300 -0.061 0.000 1.022 285 V CB -0.537 31.256 31.823 -0.051 0.000 0.640 285 V HN 0.633 nan 8.190 nan 0.000 0.445 286 L N -1.061 120.138 121.223 -0.041 0.000 1.971 286 L HA -0.255 4.084 4.340 -0.000 0.000 0.215 286 L C 2.526 179.376 176.870 -0.033 0.000 1.072 286 L CA 1.881 56.702 54.840 -0.030 0.000 0.758 286 L CB -0.741 41.302 42.059 -0.026 0.000 0.889 286 L HN 0.376 nan 8.230 nan 0.000 0.433 287 L N -0.087 121.113 121.223 -0.039 0.000 1.990 287 L HA -0.257 4.083 4.340 -0.000 0.000 0.213 287 L C 2.406 179.246 176.870 -0.049 0.000 1.072 287 L CA 1.759 56.575 54.840 -0.040 0.000 0.755 287 L CB -0.775 41.257 42.059 -0.045 0.000 0.889 287 L HN 0.151 nan 8.230 nan 0.000 0.432 288 L N -1.024 120.157 121.223 -0.071 0.000 2.081 288 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 288 L C 2.301 179.116 176.870 -0.093 0.000 1.080 288 L CA 2.000 56.788 54.840 -0.087 0.000 0.754 288 L CB -0.948 41.031 42.059 -0.133 0.000 0.893 288 L HN 0.455 nan 8.230 nan 0.000 0.433 289 L N -0.208 120.976 121.223 -0.065 0.000 1.937 289 L HA 0.019 4.359 4.340 -0.000 0.000 0.213 289 L C 2.468 179.320 176.870 -0.030 0.000 1.077 289 L CA 2.259 57.089 54.840 -0.017 0.000 0.758 289 L CB -1.583 40.492 42.059 0.026 0.000 0.888 289 L HN 0.289 nan 8.230 nan 0.000 0.433 290 G N -0.440 108.347 108.800 -0.023 0.000 2.547 290 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.221 290 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.221 290 G C 1.536 176.394 174.900 -0.070 0.000 1.140 290 G CA 1.388 46.471 45.100 -0.027 0.000 0.760 290 G HN 0.375 nan 8.290 nan 0.000 0.583 291 M N -0.920 118.632 119.600 -0.081 0.000 2.086 291 M HA -0.006 4.473 4.480 -0.000 0.000 0.261 291 M C 2.336 178.353 176.300 -0.471 0.000 1.067 291 M CA 0.968 56.194 55.300 -0.123 0.000 1.116 291 M CB -1.050 31.552 32.600 0.004 0.000 1.348 291 M HN 0.372 nan 8.290 nan 0.000 0.407 292 Y N 0.536 120.421 120.300 -0.691 0.000 2.373 292 Y HA -0.047 4.502 4.550 -0.000 0.000 0.293 292 Y C 2.035 177.443 175.900 -0.820 0.000 1.129 292 Y CA 1.106 58.515 58.100 -1.151 0.000 1.226 292 Y CB -0.249 37.590 38.460 -1.035 0.000 1.000 292 Y HN 0.111 nan 8.280 nan 0.000 0.549 293 L N -0.143 120.870 121.223 -0.351 0.000 2.551 293 L HA -0.111 4.229 4.340 -0.000 0.000 0.228 293 L C 1.510 178.221 176.870 -0.266 0.000 1.153 293 L CA 0.908 55.617 54.840 -0.219 0.000 0.851 293 L CB -0.297 41.730 42.059 -0.054 0.000 0.959 293 L HN 0.269 nan 8.230 nan 0.000 0.451 294 E N -0.467 119.608 120.200 -0.208 0.000 2.481 294 E HA -0.048 4.301 4.350 -0.000 0.000 0.195 294 E C 1.139 177.803 176.600 0.107 0.000 1.047 294 E CA 0.369 56.797 56.400 0.046 0.000 0.867 294 E CB 0.218 30.001 29.700 0.138 0.000 0.858 294 E HN 0.402 nan 8.360 nan 0.000 0.513 295 F N 1.184 120.817 119.950 -0.530 0.000 2.765 295 F HA 0.072 4.599 4.527 -0.000 0.000 0.302 295 F C 2.203 177.898 175.800 -0.175 0.000 1.111 295 F CA 0.119 57.694 58.000 -0.708 0.000 1.359 295 F CB -0.433 38.158 39.000 -0.682 0.000 1.097 295 F HN 0.068 nan 8.300 nan 0.000 0.577 296 Q N -0.806 118.913 119.800 -0.134 0.000 2.378 296 Q HA -0.092 4.247 4.340 -0.000 0.000 0.205 296 Q C -0.168 175.852 176.000 0.033 0.000 0.954 296 Q CA 0.990 56.686 55.803 -0.179 0.000 0.901 296 Q CB -0.314 28.202 28.738 -0.370 0.000 0.981 296 Q HN 0.226 nan 8.270 nan 0.000 0.483 297 Y N 1.453 121.994 120.300 0.402 0.000 2.408 297 Y HA 0.314 4.864 4.550 -0.000 0.000 0.324 297 Y C 0.722 176.985 175.900 0.605 0.000 1.302 297 Y CA -1.797 56.562 58.100 0.432 0.000 1.384 297 Y CB 0.675 39.319 38.460 0.307 0.000 1.367 297 Y HN -0.085 nan 8.280 nan 0.000 0.525 298 S N 1.680 117.697 115.700 0.528 0.000 2.563 298 S HA -0.083 4.387 4.470 -0.000 0.000 0.294 298 S C 0.745 175.323 174.600 -0.036 0.000 1.279 298 S CA -0.335 57.942 58.200 0.128 0.000 1.069 298 S CB -0.112 63.125 63.200 0.061 0.000 0.828 298 S HN 0.609 nan 8.310 nan 0.000 0.497 299 F N 3.402 122.987 119.950 -0.607 0.000 2.234 299 F HA -0.015 4.511 4.527 -0.000 0.000 0.296 299 F C 1.894 177.481 175.800 -0.356 0.000 1.089 299 F CA 1.104 58.691 58.000 -0.689 0.000 1.343 299 F CB -0.364 38.180 39.000 -0.759 0.000 1.040 299 F HN 0.584 nan 8.300 nan 0.000 0.498 300 E N 0.704 120.599 120.200 -0.509 0.000 2.007 300 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 300 E C 2.248 178.658 176.600 -0.318 0.000 0.999 300 E CA 1.813 57.921 56.400 -0.487 0.000 0.811 300 E CB -1.024 28.505 29.700 -0.286 0.000 0.762 300 E HN 0.442 nan 8.360 nan 0.000 0.450 301 M N 0.819 120.313 119.600 -0.176 0.000 2.700 301 M HA -0.017 4.463 4.480 -0.000 0.000 0.249 301 M C 0.983 177.253 176.300 -0.050 0.000 1.082 301 M CA 0.036 55.278 55.300 -0.097 0.000 1.077 301 M CB -0.338 32.232 32.600 -0.051 0.000 1.477 301 M HN 0.014 nan 8.290 nan 0.000 0.529 302 C N 2.609 121.887 119.300 -0.037 0.000 2.616 302 C HA -0.027 4.433 4.460 -0.000 0.000 0.402 302 C C 1.770 176.798 174.990 0.062 0.000 1.436 302 C CA -0.437 58.644 59.018 0.103 0.000 1.521 302 C CB -0.646 27.230 27.740 0.226 0.000 2.413 302 C HN 0.434 nan 8.230 nan 0.000 0.617 303 L N 5.319 126.583 121.223 0.069 0.000 2.341 303 L HA 0.068 4.408 4.340 -0.000 0.000 0.214 303 L C 2.441 179.357 176.870 0.075 0.000 1.115 303 L CA 1.398 56.260 54.840 0.037 0.000 0.820 303 L CB -0.927 41.141 42.059 0.014 0.000 0.944 303 L HN 0.743 nan 8.230 nan 0.000 0.452 304 K N -1.255 119.235 120.400 0.151 0.000 2.442 304 K HA -0.073 4.246 4.320 -0.000 0.000 0.198 304 K C 1.911 178.701 176.600 0.317 0.000 1.042 304 K CA 0.587 56.995 56.287 0.202 0.000 0.958 304 K CB 0.139 32.720 32.500 0.135 0.000 0.766 304 K HN 0.350 nan 8.250 nan 0.000 0.474 305 C N -0.356 119.089 119.300 0.241 0.000 2.480 305 C HA 0.178 4.638 4.460 -0.000 0.000 0.304 305 C C 2.296 177.284 174.990 -0.003 0.000 1.399 305 C CA -0.360 58.762 59.018 0.173 0.000 1.900 305 C CB -0.427 27.417 27.740 0.174 0.000 2.194 305 C HN 0.354 nan 8.230 nan 0.000 0.550 306 I N 1.761 122.314 120.570 -0.028 0.000 2.145 306 I HA -0.300 3.870 4.170 -0.000 0.000 0.244 306 I C 2.447 178.515 176.117 -0.082 0.000 1.075 306 I CA 1.782 63.039 61.300 -0.073 0.000 1.332 306 I CB -0.514 37.446 38.000 -0.067 0.000 1.033 306 I HN 0.424 nan 8.210 nan 0.000 0.410 307 K N 0.851 121.222 120.400 -0.049 0.000 2.097 307 K HA -0.059 4.261 4.320 -0.000 0.000 0.205 307 K C 0.108 176.644 176.600 -0.107 0.000 1.050 307 K CA 0.497 56.752 56.287 -0.053 0.000 0.938 307 K CB -0.058 32.436 32.500 -0.011 0.000 0.718 307 K HN 0.211 nan 8.250 nan 0.000 0.442 308 K N 1.137 121.440 120.400 -0.162 0.000 4.868 308 K HA -0.189 4.131 4.320 -0.000 0.000 0.324 308 K C -0.062 176.482 176.600 -0.093 0.000 0.971 308 K CA 0.874 56.906 56.287 -0.425 0.000 1.034 308 K CB -1.175 30.864 32.500 -0.767 0.000 1.672 308 K HN 0.561 nan 8.250 nan 0.000 0.426 309 E N 0.219 120.498 120.200 0.132 0.000 2.572 309 E HA 0.040 4.390 4.350 -0.000 0.000 0.220 309 E C -0.192 176.549 176.600 0.235 0.000 0.945 309 E CA -0.328 56.161 56.400 0.149 0.000 1.070 309 E CB 0.584 30.337 29.700 0.088 0.000 1.090 309 E HN 0.269 nan 8.360 nan 0.000 0.506 310 Q N 0.730 120.771 119.800 0.401 0.000 2.650 310 Q HA 0.220 4.560 4.340 -0.000 0.000 0.239 310 Q C -2.402 173.752 176.000 0.257 0.000 0.893 310 Q CA -1.741 54.247 55.803 0.309 0.000 0.755 310 Q CB 2.002 30.878 28.738 0.230 0.000 1.349 310 Q HN -0.052 nan 8.270 nan 0.000 0.461 311 P HA -0.224 nan 4.420 nan 0.000 0.216 311 P C 1.293 178.443 177.300 -0.250 0.000 1.154 311 P CA 1.742 64.470 63.100 -0.621 0.000 0.865 311 P CB 0.217 31.785 31.700 -0.221 0.000 0.789 312 S N -2.736 113.002 115.700 0.063 0.000 2.584 312 S HA -0.186 4.284 4.470 -0.000 0.000 0.240 312 S C 1.677 176.555 174.600 0.463 0.000 0.975 312 S CA 1.350 59.691 58.200 0.236 0.000 0.949 312 S CB -1.082 62.202 63.200 0.141 0.000 0.761 312 S HN 0.335 nan 8.310 nan 0.000 0.536 313 H N 0.514 119.725 119.070 0.234 0.000 2.179 313 H HA 0.154 4.710 4.556 -0.000 0.000 0.246 313 H C 1.561 176.947 175.328 0.097 0.000 0.904 313 H CA 0.405 56.621 56.048 0.280 0.000 1.113 313 H CB -0.667 29.265 29.762 0.284 0.000 1.396 313 H HN 0.375 nan 8.280 nan 0.000 0.484 314 Y N 0.881 121.210 120.300 0.049 0.000 2.716 314 Y HA 0.202 4.751 4.550 -0.000 0.000 0.302 314 Y C 1.164 176.991 175.900 -0.122 0.000 1.160 314 Y CA 0.563 58.622 58.100 -0.069 0.000 1.362 314 Y CB -0.290 38.233 38.460 0.105 0.000 0.988 314 Y HN 0.089 nan 8.280 nan 0.000 0.546 315 K N -1.108 119.099 120.400 -0.322 0.000 2.353 315 K HA 0.150 4.470 4.320 -0.000 0.000 0.195 315 K C -0.362 175.836 176.600 -0.670 0.000 1.031 315 K CA 0.186 56.184 56.287 -0.482 0.000 1.079 315 K CB 0.221 32.273 32.500 -0.746 0.000 0.857 315 K HN 0.408 nan 8.250 nan 0.000 0.535 316 Y N -2.155 118.000 120.300 -0.242 0.000 2.610 316 Y HA 0.147 4.697 4.550 -0.000 0.000 0.254 316 Y C 1.552 177.080 175.900 -0.621 0.000 1.110 316 Y CA -0.489 57.483 58.100 -0.214 0.000 1.238 316 Y CB -0.092 38.420 38.460 0.087 0.000 1.322 316 Y HN 0.133 nan 8.280 nan 0.000 0.547 317 H N 1.043 119.524 119.070 -0.981 0.000 2.299 317 H HA -0.165 4.391 4.556 -0.000 0.000 0.302 317 H C 2.232 177.167 175.328 -0.654 0.000 1.078 317 H CA 1.780 57.145 56.048 -1.138 0.000 1.323 317 H CB 0.403 29.625 29.762 -0.899 0.000 1.381 317 H HN 0.469 nan 8.280 nan 0.000 0.498 318 E N 0.912 120.611 120.200 -0.835 0.000 2.033 318 E HA -0.263 4.087 4.350 -0.000 0.000 0.199 318 E C 2.354 178.670 176.600 -0.472 0.000 1.011 318 E CA 1.619 57.280 56.400 -1.232 0.000 0.815 318 E CB -0.108 28.612 29.700 -1.632 0.000 0.755 318 E HN 0.353 nan 8.360 nan 0.000 0.451 319 K N -0.546 119.688 120.400 -0.277 0.000 2.152 319 K HA -0.190 4.129 4.320 -0.000 0.000 0.206 319 K C 1.532 178.071 176.600 -0.103 0.000 1.048 319 K CA 1.554 57.770 56.287 -0.119 0.000 0.933 319 K CB -0.114 32.382 32.500 -0.007 0.000 0.721 319 K HN 0.395 nan 8.250 nan 0.000 0.447 320 H N -1.349 117.717 119.070 -0.006 0.000 2.549 320 H HA -0.034 4.522 4.556 -0.000 0.000 0.279 320 H C 1.041 176.403 175.328 0.057 0.000 1.018 320 H CA 0.034 56.125 56.048 0.071 0.000 1.175 320 H CB 0.351 30.212 29.762 0.166 0.000 1.485 320 H HN 0.267 nan 8.280 nan 0.000 0.543 321 Y N 2.245 122.566 120.300 0.036 0.000 2.053 321 Y HA -0.304 4.245 4.550 -0.000 0.000 0.277 321 Y C 2.520 178.453 175.900 0.056 0.000 1.159 321 Y CA 1.867 60.011 58.100 0.073 0.000 1.125 321 Y CB -0.493 37.952 38.460 -0.025 0.000 0.969 321 Y HN 0.147 nan 8.280 nan 0.000 0.492 322 A N 0.395 123.146 122.820 -0.114 0.000 1.849 322 A HA -0.331 3.989 4.320 -0.000 0.000 0.217 322 A C 2.213 179.729 177.584 -0.113 0.000 1.202 322 A CA 2.368 54.304 52.037 -0.167 0.000 0.629 322 A CB -1.394 17.598 19.000 -0.014 0.000 0.834 322 A HN 0.643 nan 8.150 nan 0.000 0.447 323 N N -0.172 118.521 118.700 -0.013 0.000 2.166 323 N HA -0.064 4.676 4.740 -0.000 0.000 0.186 323 N C 1.618 177.205 175.510 0.128 0.000 1.019 323 N CA 1.799 54.901 53.050 0.087 0.000 0.856 323 N CB -0.337 38.245 38.487 0.158 0.000 0.993 323 N HN 0.400 nan 8.380 nan 0.000 0.426 324 A N -0.246 122.576 122.820 0.002 0.000 2.066 324 A HA 0.205 4.525 4.320 -0.000 0.000 0.218 324 A C 2.185 179.736 177.584 -0.055 0.000 1.157 324 A CA 1.383 53.356 52.037 -0.105 0.000 0.670 324 A CB -0.766 17.944 19.000 -0.483 0.000 0.804 324 A HN 0.388 nan 8.150 nan 0.000 0.453 325 A N -0.157 122.559 122.820 -0.174 0.000 2.014 325 A HA 0.047 4.367 4.320 -0.000 0.000 0.218 325 A C 1.818 179.358 177.584 -0.073 0.000 1.163 325 A CA 1.390 53.304 52.037 -0.205 0.000 0.652 325 A CB -0.308 18.442 19.000 -0.415 0.000 0.808 325 A HN 0.398 nan 8.150 nan 0.000 0.449 326 I N -1.910 118.654 120.570 -0.010 0.000 2.480 326 I HA -0.023 4.147 4.170 -0.000 0.000 0.251 326 I C 2.121 178.272 176.117 0.058 0.000 1.124 326 I CA 0.446 61.762 61.300 0.026 0.000 1.444 326 I CB -1.646 36.384 38.000 0.050 0.000 1.098 326 I HN 0.387 nan 8.210 nan 0.000 0.428 327 F N 2.541 122.484 119.950 -0.012 0.000 2.192 327 F HA -0.219 4.308 4.527 -0.000 0.000 0.301 327 F C 2.404 178.179 175.800 -0.042 0.000 1.079 327 F CA 1.487 59.485 58.000 -0.002 0.000 1.303 327 F CB -0.066 39.001 39.000 0.111 0.000 1.024 327 F HN 0.055 nan 8.300 nan 0.000 0.494 328 A N -0.932 121.898 122.820 0.017 0.000 2.066 328 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 328 A C 1.073 178.595 177.584 -0.104 0.000 1.157 328 A CA 1.539 53.542 52.037 -0.058 0.000 0.670 328 A CB -0.588 18.386 19.000 -0.043 0.000 0.804 328 A HN 0.376 nan 8.150 nan 0.000 0.453 329 D N -0.439 119.907 120.400 -0.090 0.000 2.722 329 D HA 0.298 4.938 4.640 -0.000 0.000 0.239 329 D C -0.035 176.203 176.300 -0.103 0.000 1.249 329 D CA 0.175 54.130 54.000 -0.075 0.000 0.830 329 D CB 0.392 41.170 40.800 -0.036 0.000 1.025 329 D HN 0.206 nan 8.370 nan 0.000 0.486 330 S N -0.233 115.352 115.700 -0.192 0.000 2.689 330 S HA 0.451 4.921 4.470 -0.000 0.000 0.306 330 S C 0.320 174.801 174.600 -0.198 0.000 1.104 330 S CA -0.714 57.360 58.200 -0.209 0.000 0.973 330 S CB 1.065 64.050 63.200 -0.358 0.000 1.121 330 S HN 0.011 nan 8.310 nan 0.000 0.523 331 K N 1.287 121.602 120.400 -0.142 0.000 2.506 331 K HA 0.335 4.655 4.320 -0.000 0.000 0.204 331 K C -0.473 176.063 176.600 -0.106 0.000 1.045 331 K CA -0.201 56.021 56.287 -0.109 0.000 1.074 331 K CB 0.307 32.774 32.500 -0.055 0.000 0.842 331 K HN 0.372 nan 8.250 nan 0.000 0.514 332 N N 1.251 119.855 118.700 -0.161 0.000 2.517 332 N HA 0.062 4.802 4.740 -0.000 0.000 0.285 332 N C 0.518 175.862 175.510 -0.278 0.000 1.528 332 N CA -0.034 52.934 53.050 -0.137 0.000 0.892 332 N CB 0.874 39.355 38.487 -0.010 0.000 1.356 332 N HN 0.149 nan 8.380 nan 0.000 0.495 333 Q N 1.193 120.784 119.800 -0.347 0.000 2.029 333 Q HA -0.199 4.141 4.340 -0.000 0.000 0.209 333 Q C 1.844 177.751 176.000 -0.156 0.000 0.999 333 Q CA 1.773 57.324 55.803 -0.421 0.000 0.857 333 Q CB 0.034 28.539 28.738 -0.388 0.000 0.926 333 Q HN 0.306 nan 8.270 nan 0.000 0.415 334 K N -0.172 120.162 120.400 -0.110 0.000 2.097 334 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 334 K C 2.026 178.572 176.600 -0.090 0.000 1.049 334 K CA 1.639 57.886 56.287 -0.067 0.000 0.933 334 K CB 0.045 32.515 32.500 -0.050 0.000 0.717 334 K HN 0.157 nan 8.250 nan 0.000 0.442 335 T N 1.555 116.042 114.554 -0.111 0.000 2.674 335 T HA -0.117 4.233 4.350 -0.000 0.000 0.265 335 T C 1.834 176.390 174.700 -0.241 0.000 1.039 335 T CA 1.593 63.642 62.100 -0.085 0.000 1.150 335 T CB -0.189 68.681 68.868 0.003 0.000 0.864 335 T HN 0.184 nan 8.240 nan 0.000 0.427 336 I N 0.776 120.999 120.570 -0.579 0.000 2.208 336 I HA -0.214 3.955 4.170 -0.000 0.000 0.245 336 I C 2.703 178.569 176.117 -0.417 0.000 1.097 336 I CA 0.888 61.575 61.300 -1.023 0.000 1.363 336 I CB -0.522 36.842 38.000 -1.060 0.000 1.051 336 I HN 0.347 nan 8.210 nan 0.000 0.413 337 C N -0.079 119.089 119.300 -0.219 0.000 2.429 337 C HA -0.143 4.317 4.460 -0.000 0.000 0.277 337 C C 2.870 177.790 174.990 -0.117 0.000 1.262 337 C CA 0.553 59.477 59.018 -0.157 0.000 1.733 337 C CB -0.914 26.773 27.740 -0.087 0.000 2.010 337 C HN 0.513 nan 8.230 nan 0.000 0.483 338 Q N 0.632 120.382 119.800 -0.084 0.000 2.045 338 Q HA -0.265 4.075 4.340 -0.000 0.000 0.206 338 Q C 2.152 178.142 176.000 -0.016 0.000 0.991 338 Q CA 2.005 57.783 55.803 -0.042 0.000 0.851 338 Q CB -0.723 28.005 28.738 -0.017 0.000 0.911 338 Q HN 0.816 nan 8.270 nan 0.000 0.418 339 Q N -0.414 119.399 119.800 0.020 0.000 2.152 339 Q HA -0.175 4.164 4.340 -0.000 0.000 0.206 339 Q C 1.815 177.836 176.000 0.036 0.000 0.985 339 Q CA 1.990 57.846 55.803 0.087 0.000 0.863 339 Q CB -0.180 28.715 28.738 0.261 0.000 0.904 339 Q HN 0.366 nan 8.270 nan 0.000 0.422 340 A N -0.376 122.431 122.820 -0.021 0.000 1.873 340 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 340 A C 2.246 179.791 177.584 -0.064 0.000 1.186 340 A CA 1.444 53.448 52.037 -0.055 0.000 0.616 340 A CB -0.771 18.152 19.000 -0.129 0.000 0.823 340 A HN 0.300 nan 8.150 nan 0.000 0.442 341 V N 0.852 120.723 119.914 -0.072 0.000 2.332 341 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 341 V C 2.107 178.174 176.094 -0.046 0.000 1.055 341 V CA 2.302 64.560 62.300 -0.070 0.000 1.038 341 V CB -0.810 30.972 31.823 -0.068 0.000 0.651 341 V HN 0.509 nan 8.190 nan 0.000 0.450 342 D N -0.262 120.123 120.400 -0.025 0.000 2.221 342 D HA -0.135 4.505 4.640 -0.000 0.000 0.204 342 D C 2.218 178.511 176.300 -0.012 0.000 0.982 342 D CA 1.762 55.754 54.000 -0.013 0.000 0.857 342 D CB -0.165 40.638 40.800 0.005 0.000 0.934 342 D HN 0.439 nan 8.370 nan 0.000 0.475 343 T N 0.471 115.017 114.554 -0.012 0.000 2.701 343 T HA -0.080 4.270 4.350 -0.000 0.000 0.263 343 T C 2.328 177.012 174.700 -0.027 0.000 1.040 343 T CA 0.649 62.742 62.100 -0.012 0.000 1.147 343 T CB -0.357 68.506 68.868 -0.008 0.000 0.865 343 T HN -0.042 nan 8.240 nan 0.000 0.426 344 V N 1.781 121.667 119.914 -0.046 0.000 2.324 344 V HA -0.168 3.952 4.120 -0.000 0.000 0.250 344 V C 2.516 178.584 176.094 -0.044 0.000 1.060 344 V CA 1.579 63.845 62.300 -0.057 0.000 1.042 344 V CB -0.716 31.056 31.823 -0.083 0.000 0.650 344 V HN 0.435 nan 8.190 nan 0.000 0.450 345 L N -0.504 120.695 121.223 -0.039 0.000 2.083 345 L HA -0.152 4.187 4.340 -0.000 0.000 0.209 345 L C 2.689 179.546 176.870 -0.021 0.000 1.083 345 L CA 1.385 56.207 54.840 -0.031 0.000 0.752 345 L CB -0.782 41.260 42.059 -0.028 0.000 0.899 345 L HN 0.391 nan 8.230 nan 0.000 0.433 346 A N 0.655 123.464 122.820 -0.017 0.000 1.828 346 A HA -0.285 4.035 4.320 -0.000 0.000 0.215 346 A C 2.260 179.838 177.584 -0.011 0.000 1.203 346 A CA 2.126 54.157 52.037 -0.010 0.000 0.614 346 A CB -0.611 18.385 19.000 -0.006 0.000 0.844 346 A HN 0.250 nan 8.150 nan 0.000 0.445 347 K N 0.384 120.775 120.400 -0.014 0.000 2.127 347 K HA -0.244 4.076 4.320 -0.000 0.000 0.208 347 K C 1.851 178.442 176.600 -0.015 0.000 1.047 347 K CA 2.408 58.687 56.287 -0.013 0.000 0.927 347 K CB -0.321 32.169 32.500 -0.017 0.000 0.716 347 K HN 0.403 nan 8.250 nan 0.000 0.450 348 K N 0.369 120.757 120.400 -0.019 0.000 1.985 348 K HA -0.143 4.177 4.320 -0.000 0.000 0.210 348 K C 2.183 178.776 176.600 -0.013 0.000 1.047 348 K CA 1.724 57.999 56.287 -0.019 0.000 0.932 348 K CB -0.462 32.023 32.500 -0.024 0.000 0.716 348 K HN 0.079 nan 8.250 nan 0.000 0.439 349 R N 0.487 120.980 120.500 -0.012 0.000 2.094 349 R HA -0.097 4.242 4.340 -0.000 0.000 0.239 349 R C 2.062 178.359 176.300 -0.006 0.000 1.137 349 R CA 1.977 58.072 56.100 -0.008 0.000 0.943 349 R CB -1.073 29.223 30.300 -0.006 0.000 0.850 349 R HN 0.190 nan 8.270 nan 0.000 0.433 350 V N 1.309 121.220 119.914 -0.006 0.000 2.380 350 V HA -0.276 3.844 4.120 -0.000 0.000 0.251 350 V C 1.724 177.816 176.094 -0.003 0.000 1.063 350 V CA 2.339 64.637 62.300 -0.004 0.000 1.055 350 V CB -0.613 31.208 31.823 -0.003 0.000 0.657 350 V HN 0.357 nan 8.190 nan 0.000 0.455 351 D N -0.263 120.134 120.400 -0.004 0.000 2.178 351 D HA -0.084 4.556 4.640 -0.000 0.000 0.202 351 D C 2.377 178.678 176.300 0.001 0.000 0.974 351 D CA 1.322 55.321 54.000 -0.003 0.000 0.841 351 D CB -0.160 40.637 40.800 -0.006 0.000 0.953 351 D HN 0.375 nan 8.370 nan 0.000 0.478 352 S N -0.007 115.692 115.700 -0.000 0.000 2.507 352 S HA -0.037 4.433 4.470 -0.000 0.000 0.235 352 S C 1.571 176.168 174.600 -0.005 0.000 0.988 352 S CA 0.394 58.593 58.200 -0.000 0.000 0.944 352 S CB 0.293 63.489 63.200 -0.007 0.000 0.762 352 S HN 0.169 nan 8.310 nan 0.000 0.526 353 L N 0.522 121.743 121.223 -0.004 0.000 2.433 353 L HA 0.258 4.597 4.340 -0.000 0.000 0.200 353 L C 2.229 179.098 176.870 -0.002 0.000 1.059 353 L CA 1.212 56.050 54.840 -0.004 0.000 0.835 353 L CB -1.561 40.496 42.059 -0.004 0.000 1.076 353 L HN 0.237 nan 8.230 nan 0.000 0.481 354 Q N -0.321 119.479 119.800 -0.000 0.000 2.062 354 Q HA 0.049 4.388 4.340 -0.000 0.000 0.196 354 Q C 0.759 176.761 176.000 0.003 0.000 0.967 354 Q CA 0.362 56.166 55.803 0.001 0.000 0.832 354 Q CB 0.245 28.984 28.738 0.001 0.000 0.899 354 Q HN 0.281 nan 8.270 nan 0.000 0.442 355 L N 1.742 122.967 121.223 0.003 0.000 2.479 355 L HA 0.031 4.371 4.340 -0.000 0.000 0.270 355 L C 0.639 177.514 176.870 0.008 0.000 1.236 355 L CA -0.005 54.837 54.840 0.004 0.000 0.823 355 L CB 0.238 42.298 42.059 0.002 0.000 1.098 355 L HN 0.277 nan 8.230 nan 0.000 0.500 356 T N -2.092 112.467 114.554 0.009 0.000 2.943 356 T HA 0.329 4.679 4.350 -0.000 0.000 0.284 356 T C 1.113 175.830 174.700 0.028 0.000 1.015 356 T CA -0.943 61.165 62.100 0.014 0.000 1.042 356 T CB 1.613 70.488 68.868 0.012 0.000 1.055 356 T HN 0.452 nan 8.240 nan 0.000 0.500 357 R N 0.706 121.229 120.500 0.038 0.000 2.113 357 R HA -0.198 4.142 4.340 -0.000 0.000 0.244 357 R C 2.227 178.582 176.300 0.092 0.000 1.142 357 R CA 2.188 58.352 56.100 0.106 0.000 0.953 357 R CB -0.542 29.776 30.300 0.031 0.000 0.860 357 R HN 0.918 nan 8.270 nan 0.000 0.438 358 E N 1.029 121.228 120.200 -0.002 0.000 2.051 358 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 358 E C 2.036 178.579 176.600 -0.094 0.000 0.991 358 E CA 1.180 57.535 56.400 -0.073 0.000 0.799 358 E CB 0.082 29.740 29.700 -0.069 0.000 0.748 358 E HN 0.376 nan 8.360 nan 0.000 0.449 359 Q N -0.258 119.513 119.800 -0.049 0.000 2.135 359 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 359 Q C 2.269 178.220 176.000 -0.081 0.000 0.981 359 Q CA 1.831 57.604 55.803 -0.050 0.000 0.856 359 Q CB -0.111 28.615 28.738 -0.020 0.000 0.902 359 Q HN 0.437 nan 8.270 nan 0.000 0.425 360 M N 0.073 119.633 119.600 -0.067 0.000 2.067 360 M HA -0.182 4.298 4.480 -0.000 0.000 0.260 360 M C 2.257 178.390 176.300 -0.280 0.000 1.069 360 M CA 1.346 56.587 55.300 -0.098 0.000 1.117 360 M CB -0.364 32.258 32.600 0.038 0.000 1.334 360 M HN 0.265 nan 8.290 nan 0.000 0.407 361 L N -0.113 120.849 121.223 -0.435 0.000 2.046 361 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 361 L C 2.410 178.917 176.870 -0.605 0.000 1.077 361 L CA 1.500 55.908 54.840 -0.721 0.000 0.747 361 L CB -0.470 41.122 42.059 -0.778 0.000 0.896 361 L HN 0.374 nan 8.230 nan 0.000 0.432 362 T N -0.093 114.232 114.554 -0.382 0.000 2.635 362 T HA -0.200 4.149 4.350 -0.000 0.000 0.267 362 T C 1.598 176.237 174.700 -0.101 0.000 1.040 362 T CA 1.778 63.753 62.100 -0.208 0.000 1.156 362 T CB -0.348 68.467 68.868 -0.087 0.000 0.863 362 T HN 0.348 nan 8.240 nan 0.000 0.430 363 N N 0.683 119.323 118.700 -0.101 0.000 2.061 363 N HA -0.102 4.637 4.740 -0.000 0.000 0.193 363 N C 1.942 177.431 175.510 -0.034 0.000 1.030 363 N CA 1.082 54.101 53.050 -0.051 0.000 0.856 363 N CB -0.386 38.066 38.487 -0.059 0.000 1.023 363 N HN 0.190 nan 8.380 nan 0.000 0.424 364 R N 0.330 120.772 120.500 -0.097 0.000 2.091 364 R HA -0.005 4.335 4.340 -0.000 0.000 0.238 364 R C 1.802 178.187 176.300 0.141 0.000 1.136 364 R CA 1.115 57.191 56.100 -0.041 0.000 0.959 364 R CB -0.934 29.272 30.300 -0.157 0.000 0.856 364 R HN 0.110 nan 8.270 nan 0.000 0.437 365 F N 1.216 121.116 119.950 -0.083 0.000 2.126 365 F HA -0.130 4.396 4.527 -0.000 0.000 0.299 365 F C 2.042 177.810 175.800 -0.053 0.000 1.096 365 F CA 1.173 59.142 58.000 -0.050 0.000 1.255 365 F CB -0.935 38.064 39.000 -0.000 0.000 0.997 365 F HN 0.155 nan 8.300 nan 0.000 0.479 366 N N 0.479 119.281 118.700 0.170 0.000 2.120 366 N HA -0.169 4.571 4.740 -0.000 0.000 0.188 366 N C 1.440 176.976 175.510 0.044 0.000 1.024 366 N CA 1.559 54.659 53.050 0.084 0.000 0.852 366 N CB -0.469 38.057 38.487 0.065 0.000 1.003 366 N HN 0.244 nan 8.380 nan 0.000 0.424 367 D N 1.217 121.639 120.400 0.037 0.000 2.092 367 D HA -0.100 4.539 4.640 -0.000 0.000 0.193 367 D C 2.228 178.521 176.300 -0.011 0.000 0.994 367 D CA 0.604 54.611 54.000 0.011 0.000 0.828 367 D CB -0.500 40.301 40.800 0.002 0.000 0.963 367 D HN 0.222 nan 8.370 nan 0.000 0.450 368 L N 0.244 121.456 121.223 -0.018 0.000 2.079 368 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 368 L C 2.532 179.315 176.870 -0.145 0.000 1.081 368 L CA 0.620 55.411 54.840 -0.083 0.000 0.752 368 L CB -0.321 41.678 42.059 -0.099 0.000 0.896 368 L HN 0.080 nan 8.230 nan 0.000 0.433 369 L N -0.722 120.422 121.223 -0.133 0.000 2.093 369 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 369 L C 2.200 179.057 176.870 -0.022 0.000 1.085 369 L CA 0.982 55.716 54.840 -0.176 0.000 0.755 369 L CB -0.632 41.362 42.059 -0.108 0.000 0.904 369 L HN 0.274 nan 8.230 nan 0.000 0.435 370 D N -0.100 120.309 120.400 0.014 0.000 2.149 370 D HA -0.195 4.445 4.640 -0.000 0.000 0.198 370 D C 2.237 178.556 176.300 0.031 0.000 0.990 370 D CA 1.048 55.078 54.000 0.049 0.000 0.839 370 D CB -0.066 40.756 40.800 0.037 0.000 0.948 370 D HN 0.187 nan 8.370 nan 0.000 0.460 371 R N -0.131 120.355 120.500 -0.023 0.000 2.075 371 R HA -0.013 4.327 4.340 -0.000 0.000 0.232 371 R C 2.370 178.617 176.300 -0.088 0.000 1.126 371 R CA 0.788 56.853 56.100 -0.059 0.000 0.963 371 R CB -0.085 30.160 30.300 -0.091 0.000 0.858 371 R HN 0.129 nan 8.270 nan 0.000 0.435 372 M N 0.576 120.114 119.600 -0.103 0.000 2.108 372 M HA -0.196 4.284 4.480 -0.000 0.000 0.261 372 M C 1.574 178.041 176.300 0.278 0.000 1.066 372 M CA 1.598 56.867 55.300 -0.051 0.000 1.107 372 M CB -0.266 32.145 32.600 -0.317 0.000 1.356 372 M HN 0.078 nan 8.290 nan 0.000 0.406 373 D N 0.554 121.160 120.400 0.344 0.000 2.158 373 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 373 D C 1.828 178.262 176.300 0.224 0.000 0.995 373 D CA 1.377 55.617 54.000 0.399 0.000 0.846 373 D CB -0.165 40.803 40.800 0.278 0.000 0.941 373 D HN 0.402 nan 8.370 nan 0.000 0.456 374 I N 0.767 121.409 120.570 0.119 0.000 2.339 374 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 374 I C 2.484 178.600 176.117 -0.001 0.000 1.096 374 I CA 0.482 61.826 61.300 0.073 0.000 1.408 374 I CB -0.210 37.829 38.000 0.066 0.000 1.092 374 I HN 0.006 nan 8.210 nan 0.000 0.423 375 M N -0.744 118.768 119.600 -0.148 0.000 2.460 375 M HA -0.083 4.397 4.480 -0.000 0.000 0.263 375 M C 0.614 176.634 176.300 -0.467 0.000 1.071 375 M CA 1.880 56.951 55.300 -0.381 0.000 1.096 375 M CB -0.352 31.835 32.600 -0.689 0.000 1.408 375 M HN 0.017 nan 8.290 nan 0.000 0.463 376 F N 1.181 121.145 119.950 0.023 0.000 2.735 376 F HA 0.555 5.082 4.527 -0.000 0.000 0.304 376 F C 1.240 177.064 175.800 0.040 0.000 1.119 376 F CA -0.797 57.233 58.000 0.049 0.000 1.280 376 F CB 0.021 39.108 39.000 0.146 0.000 0.994 376 F HN 0.093 nan 8.300 nan 0.000 0.520 377 G N -0.242 108.649 108.800 0.153 0.000 2.557 377 G HA2 0.327 4.287 3.960 -0.000 0.000 0.302 377 G HA3 0.327 4.287 3.960 -0.000 0.000 0.302 377 G C 0.924 175.857 174.900 0.056 0.000 1.311 377 G CA 0.104 45.260 45.100 0.093 0.000 1.030 377 G HN 0.144 nan 8.290 nan 0.000 0.509 378 S N -1.626 114.091 115.700 0.028 0.000 2.419 378 S HA -0.176 4.293 4.470 -0.000 0.000 0.233 378 S C 2.017 176.617 174.600 0.000 0.000 1.016 378 S CA 2.071 60.276 58.200 0.009 0.000 0.974 378 S CB -0.587 62.609 63.200 -0.007 0.000 0.786 378 S HN 0.970 nan 8.310 nan 0.000 0.492 379 T N -1.244 113.310 114.554 0.001 0.000 3.107 379 T HA 0.410 4.760 4.350 -0.000 0.000 0.249 379 T C 0.975 175.678 174.700 0.006 0.000 1.096 379 T CA 0.157 62.246 62.100 -0.018 0.000 1.012 379 T CB -0.339 68.499 68.868 -0.051 0.000 0.977 379 T HN 0.439 nan 8.240 nan 0.000 0.527 380 G N 0.263 109.072 108.800 0.016 0.000 2.611 380 G HA2 0.446 4.406 3.960 -0.000 0.000 0.273 380 G HA3 0.446 4.406 3.960 -0.000 0.000 0.273 380 G C 0.237 175.136 174.900 -0.002 0.000 1.305 380 G CA -0.325 44.773 45.100 -0.003 0.000 1.010 380 G HN 0.311 nan 8.290 nan 0.000 0.509 381 S N -0.938 114.749 115.700 -0.021 0.000 2.817 381 S HA 0.465 4.935 4.470 -0.000 0.000 0.262 381 S C 0.636 175.253 174.600 0.029 0.000 1.051 381 S CA 0.238 58.444 58.200 0.010 0.000 1.185 381 S CB 0.737 63.947 63.200 0.018 0.000 1.152 381 S HN 0.969 nan 8.310 nan 0.000 0.653 382 A N 1.608 124.412 122.820 -0.026 0.000 2.295 382 A HA 0.651 4.971 4.320 -0.000 0.000 0.318 382 A C -0.779 176.928 177.584 0.204 0.000 1.134 382 A CA -0.310 51.749 52.037 0.037 0.000 0.827 382 A CB 0.509 19.291 19.000 -0.363 0.000 1.136 382 A HN 0.122 nan 8.150 nan 0.000 0.493 383 D N 1.576 122.200 120.400 0.373 0.000 2.392 383 D HA 0.269 4.909 4.640 -0.000 0.000 0.228 383 D C 0.683 177.330 176.300 0.578 0.000 1.074 383 D CA -0.483 53.737 54.000 0.366 0.000 0.838 383 D CB 0.910 41.827 40.800 0.194 0.000 1.067 383 D HN 0.243 nan 8.370 nan 0.000 0.511 384 I N 3.755 124.615 120.570 0.483 0.000 2.530 384 I HA -0.146 4.024 4.170 -0.000 0.000 0.257 384 I C 1.724 178.111 176.117 0.451 0.000 1.179 384 I CA 1.424 62.906 61.300 0.304 0.000 1.440 384 I CB -0.099 37.868 38.000 -0.054 0.000 1.087 384 I HN 0.612 nan 8.210 nan 0.000 0.440 385 E N 0.238 120.683 120.200 0.409 0.000 2.033 385 E HA -0.194 4.155 4.350 -0.000 0.000 0.189 385 E C 2.006 178.757 176.600 0.250 0.000 0.979 385 E CA 0.995 57.637 56.400 0.403 0.000 0.802 385 E CB -0.145 29.718 29.700 0.271 0.000 0.763 385 E HN 0.570 nan 8.360 nan 0.000 0.449 386 E N -0.214 120.093 120.200 0.179 0.000 2.097 386 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 386 E C 1.820 178.585 176.600 0.276 0.000 1.000 386 E CA 1.357 57.818 56.400 0.100 0.000 0.804 386 E CB -0.243 29.388 29.700 -0.115 0.000 0.740 386 E HN 0.452 nan 8.360 nan 0.000 0.454 387 W N 0.376 121.820 121.300 0.240 0.000 2.418 387 W HA -0.064 4.596 4.660 -0.000 0.000 0.292 387 W C 2.354 178.939 176.519 0.110 0.000 1.213 387 W CA 0.479 57.957 57.345 0.222 0.000 1.283 387 W CB -0.343 29.319 29.460 0.337 0.000 1.119 387 W HN 0.088 nan 8.180 nan 0.000 0.542 388 M N 0.596 120.330 119.600 0.224 0.000 2.296 388 M HA 0.006 4.486 4.480 -0.000 0.000 0.265 388 M C 2.024 178.304 176.300 -0.034 0.000 1.064 388 M CA 1.873 57.104 55.300 -0.115 0.000 1.109 388 M CB -0.725 31.484 32.600 -0.652 0.000 1.396 388 M HN -0.042 nan 8.290 nan 0.000 0.430 389 A N -0.782 122.089 122.820 0.085 0.000 1.930 389 A HA 0.104 4.424 4.320 -0.000 0.000 0.217 389 A C 2.306 179.991 177.584 0.168 0.000 1.175 389 A CA 1.462 53.587 52.037 0.146 0.000 0.627 389 A CB -1.624 17.551 19.000 0.291 0.000 0.815 389 A HN 0.559 nan 8.150 nan 0.000 0.443 390 G N -0.507 108.374 108.800 0.136 0.000 2.432 390 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.219 390 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.219 390 G C 1.433 176.458 174.900 0.207 0.000 1.135 390 G CA 1.234 46.383 45.100 0.082 0.000 0.767 390 G HN 0.317 nan 8.290 nan 0.000 0.550 391 V N 1.363 121.397 119.914 0.200 0.000 2.358 391 V HA -0.082 4.038 4.120 -0.000 0.000 0.246 391 V C 3.287 179.581 176.094 0.334 0.000 1.047 391 V CA 1.828 64.273 62.300 0.242 0.000 1.035 391 V CB -0.787 31.112 31.823 0.127 0.000 0.658 391 V HN 0.459 nan 8.190 nan 0.000 0.452 392 A N -0.770 122.227 122.820 0.296 0.000 1.883 392 A HA -0.298 4.022 4.320 -0.000 0.000 0.217 392 A C 1.978 179.708 177.584 0.243 0.000 1.186 392 A CA 2.143 54.297 52.037 0.195 0.000 0.624 392 A CB -0.958 18.036 19.000 -0.010 0.000 0.822 392 A HN 0.723 nan 8.150 nan 0.000 0.444 393 W N 0.476 121.822 121.300 0.077 0.000 2.354 393 W HA -0.140 4.520 4.660 -0.000 0.000 0.315 393 W C 1.789 178.364 176.519 0.095 0.000 1.206 393 W CA 1.880 59.260 57.345 0.057 0.000 1.290 393 W CB -0.315 29.137 29.460 -0.013 0.000 1.152 393 W HN 0.246 nan 8.180 nan 0.000 0.489 394 L N -0.278 121.256 121.223 0.519 0.000 2.187 394 L HA -0.252 4.088 4.340 -0.000 0.000 0.213 394 L C 2.087 179.070 176.870 0.189 0.000 1.100 394 L CA 1.464 56.530 54.840 0.377 0.000 0.765 394 L CB -0.900 41.392 42.059 0.388 0.000 0.904 394 L HN 0.076 nan 8.230 nan 0.000 0.437 395 H N -1.841 117.295 119.070 0.109 0.000 2.556 395 H HA 0.017 4.573 4.556 -0.000 0.000 0.268 395 H C 1.608 176.928 175.328 -0.012 0.000 0.996 395 H CA 0.359 56.458 56.048 0.085 0.000 1.157 395 H CB 0.084 29.985 29.762 0.233 0.000 1.355 395 H HN 0.278 nan 8.280 nan 0.000 0.597 396 C N -0.604 118.640 119.300 -0.093 0.000 3.038 396 C HA 0.182 4.642 4.460 -0.000 0.000 0.279 396 C C 2.245 177.082 174.990 -0.255 0.000 1.276 396 C CA -0.409 58.507 59.018 -0.170 0.000 1.697 396 C CB -0.780 26.857 27.740 -0.172 0.000 2.032 396 C HN 0.495 nan 8.230 nan 0.000 0.636 397 L N 0.445 121.486 121.223 -0.303 0.000 2.095 397 L HA 0.302 4.641 4.340 -0.000 0.000 0.204 397 L C 0.423 177.196 176.870 -0.161 0.000 1.080 397 L CA 2.070 56.746 54.840 -0.274 0.000 0.759 397 L CB -0.003 41.953 42.059 -0.173 0.000 0.914 397 L HN 0.203 nan 8.230 nan 0.000 0.439 398 L N -1.119 120.015 121.223 -0.149 0.000 2.434 398 L HA 0.433 4.773 4.340 -0.000 0.000 0.260 398 L C -2.389 174.370 176.870 -0.185 0.000 0.983 398 L CA -1.939 52.801 54.840 -0.168 0.000 0.820 398 L CB 1.704 43.665 42.059 -0.162 0.000 1.361 398 L HN -0.234 nan 8.230 nan 0.000 0.410 399 P HA 0.128 nan 4.420 nan 0.000 0.271 399 P C -0.899 176.311 177.300 -0.150 0.000 1.220 399 P CA -0.123 62.880 63.100 -0.162 0.000 0.768 399 P CB 0.374 32.002 31.700 -0.120 0.000 0.848 400 K N 1.289 121.575 120.400 -0.189 0.000 3.244 400 K HA -0.227 4.092 4.320 -0.000 0.000 0.270 400 K C 0.720 177.275 176.600 -0.074 0.000 1.016 400 K CA -0.036 56.178 56.287 -0.121 0.000 0.754 400 K CB -1.240 31.234 32.500 -0.044 0.000 1.326 400 K HN 0.372 nan 8.250 nan 0.000 0.465 401 M N 1.968 121.476 119.600 -0.155 0.000 2.086 401 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 401 M C 1.857 178.235 176.300 0.131 0.000 1.067 401 M CA 2.486 57.794 55.300 0.014 0.000 1.116 401 M CB -0.184 32.452 32.600 0.060 0.000 1.348 401 M HN 0.409 nan 8.290 nan 0.000 0.407 402 D N -1.614 118.864 120.400 0.130 0.000 2.221 402 D HA -0.126 4.514 4.640 -0.000 0.000 0.204 402 D C 1.525 177.915 176.300 0.150 0.000 0.982 402 D CA 1.639 55.699 54.000 0.099 0.000 0.857 402 D CB -0.558 40.154 40.800 -0.146 0.000 0.934 402 D HN 0.407 nan 8.370 nan 0.000 0.475 403 S N -0.058 115.717 115.700 0.124 0.000 2.371 403 S HA -0.016 4.454 4.470 -0.000 0.000 0.221 403 S C 2.356 177.122 174.600 0.276 0.000 1.036 403 S CA 0.459 58.766 58.200 0.178 0.000 0.965 403 S CB -0.109 63.155 63.200 0.107 0.000 0.845 403 S HN 0.151 nan 8.310 nan 0.000 0.475 404 V N 2.087 122.143 119.914 0.238 0.000 2.324 404 V HA -0.179 3.941 4.120 -0.000 0.000 0.250 404 V C 2.315 178.681 176.094 0.453 0.000 1.060 404 V CA 1.617 64.126 62.300 0.347 0.000 1.042 404 V CB -0.858 31.116 31.823 0.252 0.000 0.650 404 V HN 0.330 nan 8.190 nan 0.000 0.450 405 V N -1.180 118.936 119.914 0.337 0.000 2.343 405 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 405 V C 2.163 178.451 176.094 0.323 0.000 1.051 405 V CA 2.381 64.866 62.300 0.309 0.000 1.036 405 V CB -0.818 31.159 31.823 0.256 0.000 0.654 405 V HN 0.636 nan 8.190 nan 0.000 0.451 406 Y N 1.305 121.721 120.300 0.193 0.000 2.163 406 Y HA -0.226 4.324 4.550 -0.000 0.000 0.288 406 Y C 2.366 178.352 175.900 0.143 0.000 1.136 406 Y CA 1.986 60.161 58.100 0.126 0.000 1.147 406 Y CB -0.351 38.155 38.460 0.076 0.000 0.987 406 Y HN 0.282 nan 8.280 nan 0.000 0.509 407 D N -0.220 120.381 120.400 0.335 0.000 2.116 407 D HA -0.250 4.390 4.640 -0.000 0.000 0.193 407 D C 2.021 178.450 176.300 0.214 0.000 0.998 407 D CA 1.686 55.888 54.000 0.337 0.000 0.836 407 D CB -0.793 40.331 40.800 0.540 0.000 0.951 407 D HN 0.414 nan 8.370 nan 0.000 0.449 408 F N 1.182 121.112 119.950 -0.034 0.000 2.065 408 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 408 F C 2.169 177.706 175.800 -0.439 0.000 1.112 408 F CA 1.360 58.916 58.000 -0.739 0.000 1.212 408 F CB -0.474 38.052 39.000 -0.789 0.000 0.975 408 F HN -0.070 nan 8.300 nan 0.000 0.476 409 L N 0.102 121.176 121.223 -0.249 0.000 2.013 409 L HA -0.297 4.043 4.340 -0.000 0.000 0.212 409 L C 2.682 179.275 176.870 -0.462 0.000 1.073 409 L CA 1.486 56.128 54.840 -0.329 0.000 0.753 409 L CB -0.864 41.061 42.059 -0.224 0.000 0.890 409 L HN 0.091 nan 8.230 nan 0.000 0.432 410 K N -0.280 119.815 120.400 -0.508 0.000 1.987 410 K HA -0.261 4.058 4.320 -0.000 0.000 0.216 410 K C 2.224 178.585 176.600 -0.399 0.000 1.051 410 K CA 1.872 57.839 56.287 -0.533 0.000 0.942 410 K CB -1.360 30.900 32.500 -0.401 0.000 0.722 410 K HN 0.427 nan 8.250 nan 0.000 0.444 411 C N 1.649 120.811 119.300 -0.230 0.000 2.363 411 C HA -0.201 4.258 4.460 -0.000 0.000 0.274 411 C C 2.747 177.556 174.990 -0.302 0.000 1.183 411 C CA 1.342 60.279 59.018 -0.134 0.000 1.771 411 C CB -0.814 26.884 27.740 -0.070 0.000 2.059 411 C HN 0.419 nan 8.230 nan 0.000 0.455 412 M N 0.289 119.537 119.600 -0.586 0.000 2.213 412 M HA -0.066 4.414 4.480 -0.000 0.000 0.263 412 M C 2.081 178.135 176.300 -0.411 0.000 1.062 412 M CA 1.416 56.359 55.300 -0.594 0.000 1.105 412 M CB -1.349 30.837 32.600 -0.691 0.000 1.385 412 M HN 0.406 nan 8.290 nan 0.000 0.417 413 V N -1.248 118.493 119.914 -0.287 0.000 2.407 413 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 413 V C 2.172 178.183 176.094 -0.139 0.000 1.041 413 V CA 1.271 63.457 62.300 -0.191 0.000 1.040 413 V CB -0.866 30.796 31.823 -0.268 0.000 0.671 413 V HN 0.220 nan 8.190 nan 0.000 0.455 414 Y N 0.079 120.299 120.300 -0.132 0.000 2.242 414 Y HA -0.013 4.537 4.550 -0.000 0.000 0.291 414 Y C 1.615 177.453 175.900 -0.104 0.000 1.137 414 Y CA 0.518 58.563 58.100 -0.092 0.000 1.181 414 Y CB -0.859 37.564 38.460 -0.061 0.000 0.989 414 Y HN 0.427 nan 8.280 nan 0.000 0.527 415 N N 0.405 119.116 118.700 0.019 0.000 2.696 415 N HA -0.224 4.516 4.740 -0.000 0.000 0.256 415 N C -0.910 174.606 175.510 0.010 0.000 1.031 415 N CA -0.250 52.770 53.050 -0.051 0.000 0.730 415 N CB -1.064 37.352 38.487 -0.118 0.000 0.894 415 N HN 0.204 nan 8.380 nan 0.000 0.544 416 I N 1.313 121.909 120.570 0.043 0.000 2.496 416 I HA 0.173 4.343 4.170 -0.000 0.000 0.285 416 I C -1.790 174.354 176.117 0.046 0.000 1.080 416 I CA -1.813 59.507 61.300 0.032 0.000 1.404 416 I CB 0.813 38.830 38.000 0.028 0.000 1.403 416 I HN 0.111 nan 8.210 nan 0.000 0.539 417 P HA -0.054 nan 4.420 nan 0.000 0.261 417 P C -0.452 176.879 177.300 0.052 0.000 1.183 417 P CA 0.281 63.407 63.100 0.042 0.000 0.761 417 P CB 0.202 31.915 31.700 0.021 0.000 0.785 418 K N 1.079 121.521 120.400 0.070 0.000 3.209 418 K HA -0.225 4.095 4.320 -0.000 0.000 0.289 418 K C -0.225 176.431 176.600 0.093 0.000 1.191 418 K CA 0.976 57.300 56.287 0.063 0.000 0.851 418 K CB -1.536 30.980 32.500 0.028 0.000 1.242 418 K HN 0.562 nan 8.250 nan 0.000 0.480 419 K N 0.067 120.545 120.400 0.130 0.000 3.481 419 K HA 0.150 4.470 4.320 -0.000 0.000 0.166 419 K C -0.004 176.710 176.600 0.189 0.000 1.032 419 K CA -0.290 56.094 56.287 0.162 0.000 0.776 419 K CB 0.607 33.177 32.500 0.117 0.000 0.797 419 K HN 0.195 nan 8.250 nan 0.000 0.516 420 R N -0.632 120.016 120.500 0.245 0.000 2.539 420 R HA 0.213 4.553 4.340 -0.000 0.000 0.342 420 R C -0.460 175.922 176.300 0.138 0.000 0.941 420 R CA -0.406 55.785 56.100 0.151 0.000 1.146 420 R CB 0.411 30.766 30.300 0.092 0.000 1.541 420 R HN -0.014 nan 8.270 nan 0.000 0.525 421 Y N 0.048 120.559 120.300 0.351 0.000 2.409 421 Y HA 0.405 4.955 4.550 -0.000 0.000 0.343 421 Y C -0.650 175.705 175.900 0.758 0.000 0.973 421 Y CA -1.095 57.310 58.100 0.509 0.000 1.064 421 Y CB 1.311 40.123 38.460 0.588 0.000 1.207 421 Y HN -0.073 nan 8.280 nan 0.000 0.452 422 W N 4.318 125.839 121.300 0.368 0.000 2.570 422 W HA 0.567 5.227 4.660 0.000 0.000 0.337 422 W C -1.183 175.386 176.519 0.084 0.000 1.067 422 W CA -1.368 56.149 57.345 0.287 0.000 1.229 422 W CB 1.424 31.084 29.460 0.333 0.000 1.355 422 W HN 0.233 nan 8.180 nan 0.000 0.555 423 L N 4.513 125.814 121.223 0.130 0.000 2.294 423 L HA 0.526 4.866 4.340 -0.000 0.000 0.283 423 L C -1.424 175.607 176.870 0.267 0.000 1.015 423 L CA -0.514 54.195 54.840 -0.219 0.000 0.831 423 L CB -0.088 41.578 42.059 -0.655 0.000 1.217 423 L HN 0.054 nan 8.230 nan 0.000 0.420 424 F N 4.542 124.548 119.950 0.094 0.000 2.404 424 F HA 0.530 5.057 4.527 -0.000 0.000 0.358 424 F C 0.326 176.223 175.800 0.160 0.000 1.120 424 F CA -0.799 57.354 58.000 0.254 0.000 1.144 424 F CB 1.060 40.175 39.000 0.191 0.000 1.133 424 F HN 0.444 nan 8.300 nan 0.000 0.495 425 K N 1.609 122.238 120.400 0.382 0.000 2.427 425 K HA 0.789 5.109 4.320 -0.000 0.000 0.252 425 K C -0.432 176.303 176.600 0.225 0.000 0.931 425 K CA -0.541 55.879 56.287 0.222 0.000 0.793 425 K CB 2.237 34.814 32.500 0.128 0.000 1.211 425 K HN 0.825 nan 8.250 nan 0.000 0.426 426 G N 2.801 111.688 108.800 0.144 0.000 2.349 426 G HA2 0.272 4.232 3.960 -0.000 0.000 0.294 426 G HA3 0.272 4.232 3.960 -0.000 0.000 0.294 426 G C -3.225 171.700 174.900 0.041 0.000 1.380 426 G CA -0.940 44.226 45.100 0.109 0.000 0.811 426 G HN 0.376 nan 8.290 nan 0.000 0.519 427 P HA 0.363 nan 4.420 nan 0.000 0.306 427 P C 0.040 177.331 177.300 -0.014 0.000 1.301 427 P CA -0.460 62.632 63.100 -0.014 0.000 0.744 427 P CB 0.504 32.195 31.700 -0.016 0.000 1.400 428 I N 0.675 121.231 120.570 -0.023 0.000 2.395 428 I HA 0.057 4.227 4.170 -0.000 0.000 0.289 428 I C 0.358 176.459 176.117 -0.025 0.000 1.023 428 I CA 0.409 61.696 61.300 -0.022 0.000 1.350 428 I CB -0.112 37.875 38.000 -0.022 0.000 1.409 428 I HN 0.462 nan 8.210 nan 0.000 0.507 429 D N 3.930 124.313 120.400 -0.029 0.000 2.809 429 D HA -0.128 4.512 4.640 -0.000 0.000 0.234 429 D C 0.803 177.086 176.300 -0.028 0.000 1.111 429 D CA 1.041 55.021 54.000 -0.033 0.000 0.726 429 D CB -0.447 40.331 40.800 -0.037 0.000 1.089 429 D HN 0.736 nan 8.370 nan 0.000 0.436 430 S N -1.366 114.318 115.700 -0.028 0.000 2.556 430 S HA 0.400 4.870 4.470 -0.000 0.000 0.216 430 S C 1.686 176.276 174.600 -0.017 0.000 0.970 430 S CA 0.612 58.813 58.200 0.001 0.000 0.912 430 S CB 1.254 64.484 63.200 0.050 0.000 0.790 430 S HN 0.711 nan 8.310 nan 0.000 0.504 431 G N 2.985 111.746 108.800 -0.066 0.000 2.162 431 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.260 431 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.260 431 G C 0.809 175.495 174.900 -0.357 0.000 0.976 431 G CA 0.584 45.641 45.100 -0.071 0.000 0.655 431 G HN 0.701 nan 8.290 nan 0.000 0.533 432 K N -0.510 119.517 120.400 -0.622 0.000 2.217 432 K HA 0.017 4.337 4.320 -0.000 0.000 0.202 432 K C 2.074 178.495 176.600 -0.298 0.000 1.051 432 K CA 1.727 57.392 56.287 -1.036 0.000 0.952 432 K CB -0.422 31.525 32.500 -0.922 0.000 0.736 432 K HN 0.314 nan 8.250 nan 0.000 0.453 433 T N 1.056 115.520 114.554 -0.150 0.000 2.770 433 T HA -0.081 4.268 4.350 -0.000 0.000 0.263 433 T C 1.945 176.634 174.700 -0.018 0.000 1.039 433 T CA 1.646 63.724 62.100 -0.036 0.000 1.142 433 T CB -0.535 68.313 68.868 -0.033 0.000 0.868 433 T HN 0.262 nan 8.240 nan 0.000 0.435 434 T N 2.479 117.011 114.554 -0.037 0.000 2.699 434 T HA -0.066 4.283 4.350 -0.000 0.000 0.268 434 T C 1.864 176.588 174.700 0.040 0.000 1.036 434 T CA 0.964 63.060 62.100 -0.005 0.000 1.147 434 T CB -0.470 68.402 68.868 0.006 0.000 0.862 434 T HN 0.093 nan 8.240 nan 0.000 0.446 435 L N 1.028 122.276 121.223 0.042 0.000 2.056 435 L HA 0.181 4.521 4.340 -0.000 0.000 0.207 435 L C 2.551 179.529 176.870 0.180 0.000 1.078 435 L CA 1.699 56.609 54.840 0.117 0.000 0.749 435 L CB -1.035 41.066 42.059 0.070 0.000 0.901 435 L HN 0.204 nan 8.230 nan 0.000 0.433 436 A N -0.407 122.549 122.820 0.227 0.000 1.858 436 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 436 A C 2.449 180.032 177.584 -0.001 0.000 1.190 436 A CA 1.776 53.860 52.037 0.079 0.000 0.617 436 A CB -1.262 17.746 19.000 0.014 0.000 0.827 436 A HN 0.525 nan 8.150 nan 0.000 0.443 437 A N -0.246 122.584 122.820 0.016 0.000 1.978 437 A HA 0.126 4.446 4.320 -0.000 0.000 0.220 437 A C 2.448 180.043 177.584 0.017 0.000 1.170 437 A CA 2.167 54.209 52.037 0.007 0.000 0.636 437 A CB -0.903 18.099 19.000 0.004 0.000 0.810 437 A HN 1.034 nan 8.150 nan 0.000 0.448 438 A N -0.261 122.578 122.820 0.031 0.000 1.873 438 A HA 0.011 4.331 4.320 -0.000 0.000 0.215 438 A C 2.157 179.761 177.584 0.034 0.000 1.186 438 A CA 1.412 53.478 52.037 0.049 0.000 0.616 438 A CB -0.586 18.459 19.000 0.076 0.000 0.823 438 A HN 0.458 nan 8.150 nan 0.000 0.442 439 L N -0.758 120.453 121.223 -0.021 0.000 2.046 439 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 439 L C 2.605 179.476 176.870 0.002 0.000 1.077 439 L CA 1.276 56.062 54.840 -0.091 0.000 0.747 439 L CB -0.524 41.254 42.059 -0.469 0.000 0.896 439 L HN 0.515 nan 8.230 nan 0.000 0.432 440 L N 0.000 121.214 121.223 -0.015 0.000 1.990 440 L HA -0.295 4.045 4.340 -0.000 0.000 0.213 440 L C 2.621 179.516 176.870 0.041 0.000 1.072 440 L CA 1.878 56.730 54.840 0.020 0.000 0.755 440 L CB -0.210 41.847 42.059 -0.004 0.000 0.889 440 L HN 0.320 nan 8.230 nan 0.000 0.432 441 E N -0.585 119.637 120.200 0.038 0.000 2.152 441 E HA -0.254 4.096 4.350 -0.000 0.000 0.192 441 E C 2.175 178.811 176.600 0.060 0.000 0.983 441 E CA 0.982 57.408 56.400 0.042 0.000 0.818 441 E CB -0.056 29.672 29.700 0.046 0.000 0.758 441 E HN 0.476 nan 8.360 nan 0.000 0.467 442 L N 0.314 121.588 121.223 0.085 0.000 2.046 442 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 442 L C 1.989 178.956 176.870 0.162 0.000 1.077 442 L CA 1.765 56.687 54.840 0.137 0.000 0.747 442 L CB -0.336 41.821 42.059 0.164 0.000 0.896 442 L HN 0.290 nan 8.230 nan 0.000 0.432 443 C N -0.065 119.290 119.300 0.091 0.000 2.611 443 C HA 0.640 5.100 4.460 -0.000 0.000 0.282 443 C C 1.209 176.137 174.990 -0.103 0.000 1.321 443 C CA -0.101 58.868 59.018 -0.082 0.000 1.747 443 C CB -1.378 26.392 27.740 0.050 0.000 2.124 443 C HN 0.814 nan 8.230 nan 0.000 0.531 444 G N -0.111 108.693 108.800 0.007 0.000 3.172 444 G HA2 0.456 4.416 3.960 -0.000 0.000 0.686 444 G HA3 0.456 4.416 3.960 -0.000 0.000 0.686 444 G C -0.219 174.705 174.900 0.041 0.000 1.009 444 G CA -0.267 44.836 45.100 0.006 0.000 0.787 444 G HN 1.102 nan 8.290 nan 0.000 0.559 445 G N 1.414 110.226 108.800 0.019 0.000 2.565 445 G HA2 0.780 4.740 3.960 -0.000 0.000 0.142 445 G HA3 0.780 4.740 3.960 -0.000 0.000 0.142 445 G C -1.268 173.615 174.900 -0.027 0.000 1.181 445 G CA 0.214 45.316 45.100 0.003 0.000 1.066 445 G HN 0.928 nan 8.290 nan 0.000 0.530 446 K N -0.592 119.775 120.400 -0.055 0.000 2.556 446 K HA 0.732 5.051 4.320 -0.000 0.000 0.274 446 K C -1.367 175.184 176.600 -0.082 0.000 0.966 446 K CA -0.424 55.828 56.287 -0.058 0.000 0.865 446 K CB 2.314 34.778 32.500 -0.061 0.000 1.444 446 K HN 1.065 nan 8.250 nan 0.000 0.433 447 A N 3.229 126.014 122.820 -0.058 0.000 2.293 447 A HA 0.589 4.909 4.320 -0.000 0.000 0.312 447 A C -0.381 177.178 177.584 -0.042 0.000 1.309 447 A CA -0.708 51.291 52.037 -0.064 0.000 0.839 447 A CB 0.083 19.068 19.000 -0.024 0.000 1.155 447 A HN 0.524 nan 8.150 nan 0.000 0.501 448 L N 1.773 122.943 121.223 -0.089 0.000 2.399 448 L HA 0.500 4.839 4.340 -0.000 0.000 0.265 448 L C 0.435 177.379 176.870 0.123 0.000 1.089 448 L CA -0.930 53.919 54.840 0.015 0.000 0.802 448 L CB 0.840 42.910 42.059 0.020 0.000 1.180 448 L HN 0.694 nan 8.230 nan 0.000 0.454 449 N N 1.250 120.038 118.700 0.146 0.000 2.518 449 N HA 0.238 4.978 4.740 -0.000 0.000 0.254 449 N C -0.296 175.308 175.510 0.156 0.000 0.979 449 N CA -0.346 52.794 53.050 0.150 0.000 0.930 449 N CB 2.043 40.587 38.487 0.095 0.000 1.152 449 N HN 0.517 nan 8.380 nan 0.000 0.505 450 V N 1.127 121.148 119.914 0.177 0.000 3.170 450 V HA 0.357 4.477 4.120 -0.000 0.000 0.354 450 V C 0.762 176.867 176.094 0.019 0.000 1.350 450 V CA -0.425 61.929 62.300 0.091 0.000 1.244 450 V CB -0.352 31.498 31.823 0.046 0.000 1.222 450 V HN 0.439 nan 8.190 nan 0.000 0.478 451 N N 0.809 119.527 118.700 0.030 0.000 2.405 451 N HA 0.273 5.013 4.740 -0.000 0.000 0.175 451 N C 0.700 176.208 175.510 -0.005 0.000 1.051 451 N CA 0.282 53.331 53.050 -0.002 0.000 0.899 451 N CB 0.359 38.852 38.487 0.010 0.000 1.000 451 N HN 0.477 nan 8.380 nan 0.000 0.451 452 L N 1.563 122.794 121.223 0.012 0.000 2.472 452 L HA 0.193 4.533 4.340 -0.000 0.000 0.260 452 L C -1.760 175.105 176.870 -0.008 0.000 1.209 452 L CA -1.430 53.415 54.840 0.008 0.000 0.817 452 L CB -0.280 41.794 42.059 0.025 0.000 1.106 452 L HN -0.130 nan 8.230 nan 0.000 0.479 453 P HA -0.001 nan 4.420 nan 0.000 0.271 453 P C 0.248 177.527 177.300 -0.034 0.000 1.238 453 P CA -0.242 62.842 63.100 -0.027 0.000 0.794 453 P CB 0.425 32.111 31.700 -0.024 0.000 0.959 454 L N -0.216 120.977 121.223 -0.049 0.000 2.418 454 L HA -0.026 4.314 4.340 -0.000 0.000 0.218 454 L C 1.540 178.367 176.870 -0.070 0.000 1.125 454 L CA 1.360 56.163 54.840 -0.062 0.000 0.835 454 L CB -1.132 40.883 42.059 -0.072 0.000 0.953 454 L HN 0.239 nan 8.230 nan 0.000 0.454 455 D N 0.614 120.975 120.400 -0.066 0.000 2.108 455 D HA -0.189 4.451 4.640 -0.000 0.000 0.190 455 D C 1.634 177.859 176.300 -0.125 0.000 0.995 455 D CA 1.480 55.429 54.000 -0.086 0.000 0.834 455 D CB -0.052 40.710 40.800 -0.063 0.000 0.967 455 D HN 0.027 nan 8.370 nan 0.000 0.446 456 R N -0.148 120.299 120.500 -0.088 0.000 2.721 456 R HA 0.259 4.598 4.340 -0.000 0.000 0.296 456 R C 0.890 177.181 176.300 -0.015 0.000 1.174 456 R CA -0.086 55.962 56.100 -0.087 0.000 1.129 456 R CB -0.182 30.117 30.300 -0.001 0.000 1.316 456 R HN 0.149 nan 8.270 nan 0.000 0.571 457 L N -0.704 120.498 121.223 -0.035 0.000 2.249 457 L HA 0.155 4.495 4.340 -0.000 0.000 0.207 457 L C 1.045 177.934 176.870 0.033 0.000 1.090 457 L CA 1.348 56.191 54.840 0.005 0.000 0.802 457 L CB 0.023 42.063 42.059 -0.033 0.000 0.947 457 L HN 0.122 nan 8.230 nan 0.000 0.453 458 N N -0.660 118.032 118.700 -0.014 0.000 2.166 458 N HA -0.148 4.592 4.740 -0.000 0.000 0.186 458 N C 1.726 177.369 175.510 0.222 0.000 1.019 458 N CA 1.718 54.797 53.050 0.048 0.000 0.856 458 N CB -0.302 38.163 38.487 -0.036 0.000 0.993 458 N HN 0.371 nan 8.380 nan 0.000 0.426 459 F N 0.801 120.795 119.950 0.073 0.000 2.186 459 F HA -0.102 4.425 4.527 -0.000 0.000 0.299 459 F C 2.357 178.204 175.800 0.078 0.000 1.090 459 F CA 0.294 58.339 58.000 0.074 0.000 1.307 459 F CB 0.135 39.172 39.000 0.060 0.000 1.019 459 F HN 0.076 nan 8.300 nan 0.000 0.489 460 E N 0.876 121.242 120.200 0.276 0.000 2.038 460 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 460 E C 2.303 179.028 176.600 0.208 0.000 1.000 460 E CA 1.184 57.701 56.400 0.195 0.000 0.803 460 E CB -0.587 29.209 29.700 0.160 0.000 0.750 460 E HN 0.416 nan 8.360 nan 0.000 0.448 461 L N -0.133 121.234 121.223 0.239 0.000 2.079 461 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 461 L C 2.518 179.586 176.870 0.330 0.000 1.081 461 L CA 1.181 56.220 54.840 0.331 0.000 0.752 461 L CB -0.838 41.397 42.059 0.294 0.000 0.896 461 L HN 0.182 nan 8.230 nan 0.000 0.433 462 G N -0.329 108.633 108.800 0.270 0.000 2.450 462 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 462 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 462 G C 1.621 176.605 174.900 0.141 0.000 1.130 462 G CA 0.752 45.982 45.100 0.216 0.000 0.760 462 G HN 0.205 nan 8.290 nan 0.000 0.557 463 V N 1.069 121.057 119.914 0.123 0.000 2.688 463 V HA -0.013 4.107 4.120 -0.000 0.000 0.256 463 V C 2.660 178.774 176.094 0.033 0.000 1.084 463 V CA 1.555 63.890 62.300 0.058 0.000 1.103 463 V CB -0.344 31.509 31.823 0.051 0.000 0.688 463 V HN 0.438 nan 8.190 nan 0.000 0.480 464 A N -0.359 122.499 122.820 0.063 0.000 2.648 464 A HA 0.352 4.672 4.320 -0.000 0.000 0.269 464 A C 0.469 178.020 177.584 -0.054 0.000 1.392 464 A CA -0.025 51.987 52.037 -0.041 0.000 1.019 464 A CB -0.618 18.329 19.000 -0.088 0.000 1.009 464 A HN 0.475 nan 8.150 nan 0.000 0.565 465 I N 0.104 120.668 120.570 -0.010 0.000 2.359 465 I HA 0.212 4.381 4.170 -0.000 0.000 0.294 465 I C -0.232 175.868 176.117 -0.029 0.000 0.987 465 I CA -0.392 60.904 61.300 -0.006 0.000 1.225 465 I CB 1.189 39.203 38.000 0.024 0.000 1.366 465 I HN 0.219 nan 8.210 nan 0.000 0.466 466 D N 3.523 123.900 120.400 -0.037 0.000 2.870 466 D HA -0.147 4.493 4.640 -0.000 0.000 0.228 466 D C -0.292 175.988 176.300 -0.034 0.000 1.147 466 D CA 0.934 54.916 54.000 -0.031 0.000 0.757 466 D CB -0.504 40.285 40.800 -0.019 0.000 1.091 466 D HN 0.399 nan 8.370 nan 0.000 0.429 467 Q N -0.876 118.884 119.800 -0.067 0.000 2.274 467 Q HA 0.342 4.682 4.340 -0.000 0.000 0.260 467 Q C 0.959 176.929 176.000 -0.050 0.000 0.974 467 Q CA -0.626 55.144 55.803 -0.055 0.000 0.876 467 Q CB 1.104 29.778 28.738 -0.106 0.000 1.297 467 Q HN 0.137 nan 8.270 nan 0.000 0.446 468 F N 2.553 122.426 119.950 -0.129 0.000 2.084 468 F HA -0.155 4.372 4.527 -0.000 0.000 0.296 468 F C 0.386 176.082 175.800 -0.174 0.000 1.111 468 F CA 1.104 59.020 58.000 -0.139 0.000 1.224 468 F CB 0.370 39.296 39.000 -0.122 0.000 0.991 468 F HN 0.524 nan 8.300 nan 0.000 0.471 469 L N -2.318 118.894 121.223 -0.019 0.000 2.301 469 L HA 0.797 5.137 4.340 -0.000 0.000 0.249 469 L C -1.192 175.573 176.870 -0.174 0.000 1.069 469 L CA -1.750 52.986 54.840 -0.174 0.000 0.865 469 L CB 1.222 43.251 42.059 -0.050 0.000 1.467 469 L HN -0.350 nan 8.230 nan 0.000 0.419 470 V N -0.050 119.741 119.914 -0.205 0.000 2.932 470 V HA 0.714 4.834 4.120 -0.000 0.000 0.307 470 V C -1.134 174.857 176.094 -0.172 0.000 1.147 470 V CA -0.517 61.647 62.300 -0.227 0.000 0.951 470 V CB 2.548 34.154 31.823 -0.362 0.000 1.031 470 V HN 0.643 nan 8.190 nan 0.000 0.426 471 V N 4.676 124.478 119.914 -0.186 0.000 2.448 471 V HA 0.500 4.619 4.120 -0.000 0.000 0.295 471 V C -0.891 175.134 176.094 -0.115 0.000 1.025 471 V CA -0.450 61.798 62.300 -0.087 0.000 0.859 471 V CB 1.680 33.471 31.823 -0.054 0.000 0.988 471 V HN 0.700 nan 8.190 nan 0.000 0.431 472 F N 3.010 123.056 119.950 0.160 0.000 2.384 472 F HA 0.415 4.942 4.527 -0.000 0.000 0.359 472 F C 0.655 176.506 175.800 0.085 0.000 1.143 472 F CA -0.556 57.528 58.000 0.140 0.000 1.216 472 F CB 0.657 39.763 39.000 0.176 0.000 1.512 472 F HN 0.503 nan 8.300 nan 0.000 0.573 473 E N 2.373 122.684 120.200 0.185 0.000 2.360 473 E HA -0.006 4.344 4.350 -0.000 0.000 0.269 473 E C 0.151 176.829 176.600 0.130 0.000 1.022 473 E CA 0.006 56.479 56.400 0.122 0.000 0.887 473 E CB 0.330 30.073 29.700 0.071 0.000 0.990 473 E HN 0.374 nan 8.360 nan 0.000 0.426 474 D N 2.812 123.280 120.400 0.113 0.000 2.971 474 D HA -0.168 4.472 4.640 -0.000 0.000 0.212 474 D C -0.644 175.727 176.300 0.118 0.000 1.243 474 D CA 0.957 55.025 54.000 0.114 0.000 0.781 474 D CB -0.744 40.110 40.800 0.090 0.000 0.894 474 D HN 0.315 nan 8.370 nan 0.000 0.392 475 V N -0.206 119.781 119.914 0.121 0.000 2.649 475 V HA 0.433 4.552 4.120 -0.000 0.000 0.292 475 V C 0.596 176.701 176.094 0.018 0.000 1.055 475 V CA -0.420 61.919 62.300 0.065 0.000 1.023 475 V CB 1.519 33.366 31.823 0.040 0.000 0.992 475 V HN 0.172 nan 8.190 nan 0.000 0.480 476 K N 3.089 123.424 120.400 -0.108 0.000 2.138 476 K HA 0.748 5.068 4.320 -0.000 0.000 0.263 476 K C 0.324 176.537 176.600 -0.645 0.000 0.965 476 K CA 0.130 56.186 56.287 -0.385 0.000 0.868 476 K CB 1.862 34.237 32.500 -0.208 0.000 1.083 476 K HN 1.091 nan 8.250 nan 0.000 0.443 477 G N 0.181 108.130 108.800 -1.419 0.000 3.251 477 G HA2 0.473 4.433 3.960 -0.000 0.000 0.248 477 G HA3 0.473 4.433 3.960 -0.000 0.000 0.248 477 G C -0.795 173.802 174.900 -0.506 0.000 1.320 477 G CA -0.527 44.118 45.100 -0.758 0.000 0.982 477 G HN 0.568 nan 8.290 nan 0.000 0.575 478 T N -2.861 111.589 114.554 -0.174 0.000 2.949 478 T HA 0.721 5.071 4.350 -0.000 0.000 0.287 478 T C 0.904 175.661 174.700 0.095 0.000 1.034 478 T CA 0.508 62.591 62.100 -0.028 0.000 1.018 478 T CB 1.197 70.047 68.868 -0.030 0.000 1.135 478 T HN 2.357 nan 8.240 nan 0.000 0.532 479 G N 0.408 109.261 108.800 0.089 0.000 2.539 479 G HA2 0.214 4.173 3.960 -0.000 0.000 0.256 479 G HA3 0.214 4.173 3.960 -0.000 0.000 0.256 479 G C 0.851 175.838 174.900 0.145 0.000 1.233 479 G CA 0.372 45.530 45.100 0.097 0.000 0.936 479 G HN 2.403 nan 8.290 nan 0.000 0.571 480 G N -0.628 108.235 108.800 0.105 0.000 2.449 480 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.304 480 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.304 480 G C 0.643 175.569 174.900 0.044 0.000 0.962 480 G CA 1.714 46.848 45.100 0.057 0.000 0.943 480 G HN 1.149 nan 8.290 nan 0.000 0.514 481 E N -0.758 119.473 120.200 0.052 0.000 2.479 481 E HA 0.156 4.506 4.350 -0.000 0.000 0.193 481 E C 1.852 178.463 176.600 0.018 0.000 1.049 481 E CA 0.340 56.766 56.400 0.042 0.000 0.870 481 E CB 0.216 29.944 29.700 0.046 0.000 0.944 481 E HN 0.410 nan 8.360 nan 0.000 0.492 482 S N 0.038 115.743 115.700 0.008 0.000 2.556 482 S HA 0.170 4.639 4.470 -0.000 0.000 0.216 482 S C 1.124 175.717 174.600 -0.012 0.000 0.970 482 S CA -0.060 58.140 58.200 0.000 0.000 0.912 482 S CB 0.268 63.469 63.200 0.002 0.000 0.790 482 S HN 0.153 nan 8.310 nan 0.000 0.504 483 R N 1.075 121.561 120.500 -0.023 0.000 2.543 483 R HA 0.154 4.493 4.340 -0.000 0.000 0.323 483 R C -0.571 175.702 176.300 -0.044 0.000 1.002 483 R CA 0.021 56.095 56.100 -0.043 0.000 1.106 483 R CB 0.301 30.556 30.300 -0.075 0.000 1.280 483 R HN 0.068 nan 8.270 nan 0.000 0.549 484 D N 1.179 121.565 120.400 -0.022 0.000 2.835 484 D HA -0.167 4.472 4.640 -0.000 0.000 0.230 484 D C -1.048 175.245 176.300 -0.013 0.000 1.130 484 D CA 0.762 54.756 54.000 -0.011 0.000 0.738 484 D CB -0.863 39.928 40.800 -0.014 0.000 1.090 484 D HN 0.252 nan 8.370 nan 0.000 0.433 485 L N 0.589 121.804 121.223 -0.014 0.000 2.298 485 L HA 0.456 4.796 4.340 -0.000 0.000 0.284 485 L C -1.975 174.982 176.870 0.146 0.000 1.013 485 L CA -1.749 53.092 54.840 0.001 0.000 0.824 485 L CB 1.635 43.555 42.059 -0.230 0.000 1.221 485 L HN -0.207 nan 8.230 nan 0.000 0.418 486 P HA 0.024 nan 4.420 nan 0.000 0.267 486 P C -0.469 176.937 177.300 0.177 0.000 1.205 486 P CA -0.108 63.075 63.100 0.140 0.000 0.765 486 P CB 0.689 32.450 31.700 0.101 0.000 0.828 487 S N 1.685 117.441 115.700 0.094 0.000 2.580 487 S HA 0.691 5.161 4.470 -0.000 0.000 0.274 487 S C 0.413 174.977 174.600 -0.060 0.000 1.329 487 S CA -0.397 57.811 58.200 0.013 0.000 1.036 487 S CB 1.039 64.248 63.200 0.014 0.000 0.919 487 S HN 0.573 nan 8.310 nan 0.000 0.515 488 G N 0.390 109.094 108.800 -0.160 0.000 2.694 488 G HA2 0.485 4.445 3.960 -0.000 0.000 0.290 488 G HA3 0.485 4.445 3.960 -0.000 0.000 0.290 488 G C -0.430 174.383 174.900 -0.146 0.000 1.386 488 G CA -0.722 44.296 45.100 -0.136 0.000 0.872 488 G HN 0.503 nan 8.290 nan 0.000 0.475 489 Q N 0.378 120.114 119.800 -0.106 0.000 2.247 489 Q HA 0.150 4.490 4.340 -0.000 0.000 0.205 489 Q C 1.902 177.832 176.000 -0.116 0.000 0.896 489 Q CA 0.409 56.151 55.803 -0.103 0.000 0.950 489 Q CB 0.652 29.343 28.738 -0.077 0.000 1.054 489 Q HN 0.686 nan 8.270 nan 0.000 0.482 490 G N 1.333 110.054 108.800 -0.132 0.000 2.484 490 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.215 490 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.215 490 G C 1.354 176.166 174.900 -0.147 0.000 1.219 490 G CA 0.349 45.374 45.100 -0.124 0.000 0.791 490 G HN 0.303 nan 8.290 nan 0.000 0.550 491 I N 1.887 122.367 120.570 -0.150 0.000 2.194 491 I HA -0.189 3.981 4.170 -0.000 0.000 0.246 491 I C 2.435 178.475 176.117 -0.129 0.000 1.093 491 I CA 1.008 62.236 61.300 -0.121 0.000 1.355 491 I CB -0.430 37.515 38.000 -0.092 0.000 1.046 491 I HN 0.090 nan 8.210 nan 0.000 0.413 492 N N 0.653 119.279 118.700 -0.124 0.000 2.120 492 N HA -0.169 4.571 4.740 -0.000 0.000 0.188 492 N C 1.631 177.056 175.510 -0.142 0.000 1.024 492 N CA 1.252 54.232 53.050 -0.116 0.000 0.852 492 N CB -0.639 37.789 38.487 -0.098 0.000 1.003 492 N HN 0.412 nan 8.380 nan 0.000 0.424 493 N N 1.332 119.939 118.700 -0.155 0.000 2.058 493 N HA -0.075 4.665 4.740 -0.000 0.000 0.191 493 N C 2.010 177.367 175.510 -0.255 0.000 1.037 493 N CA 0.548 53.486 53.050 -0.186 0.000 0.848 493 N CB -0.670 37.717 38.487 -0.168 0.000 1.021 493 N HN 0.232 nan 8.380 nan 0.000 0.422 494 L N 0.829 121.876 121.223 -0.293 0.000 2.043 494 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 494 L C 1.879 178.563 176.870 -0.311 0.000 1.075 494 L CA 1.464 56.069 54.840 -0.391 0.000 0.752 494 L CB -0.472 41.346 42.059 -0.403 0.000 0.891 494 L HN 0.153 nan 8.230 nan 0.000 0.432 495 D N -0.393 119.872 120.400 -0.225 0.000 2.309 495 D HA -0.169 4.471 4.640 -0.000 0.000 0.212 495 D C 1.724 177.924 176.300 -0.168 0.000 0.968 495 D CA 1.038 54.931 54.000 -0.179 0.000 0.882 495 D CB 0.059 40.781 40.800 -0.130 0.000 0.918 495 D HN 0.374 nan 8.370 nan 0.000 0.503 496 N N -0.911 117.674 118.700 -0.191 0.000 2.409 496 N HA 0.059 4.799 4.740 -0.000 0.000 0.174 496 N C 0.285 175.672 175.510 -0.204 0.000 1.037 496 N CA 0.061 53.008 53.050 -0.171 0.000 0.898 496 N CB 0.392 38.779 38.487 -0.167 0.000 1.010 496 N HN 0.195 nan 8.380 nan 0.000 0.445 497 L N 1.687 122.722 121.223 -0.313 0.000 2.998 497 L HA 0.249 4.589 4.340 -0.000 0.000 0.234 497 L C 1.339 178.108 176.870 -0.169 0.000 1.350 497 L CA -0.162 54.433 54.840 -0.408 0.000 1.202 497 L CB -0.089 41.483 42.059 -0.811 0.000 1.583 497 L HN 0.070 nan 8.230 nan 0.000 0.456 498 R N 0.738 121.180 120.500 -0.096 0.000 2.066 498 R HA -0.134 4.206 4.340 -0.000 0.000 0.232 498 R C 1.626 177.923 176.300 -0.005 0.000 1.131 498 R CA 1.732 57.784 56.100 -0.080 0.000 0.955 498 R CB -0.186 30.069 30.300 -0.075 0.000 0.851 498 R HN 0.574 nan 8.270 nan 0.000 0.432 499 D N -0.253 120.184 120.400 0.061 0.000 2.378 499 D HA -0.177 4.463 4.640 -0.000 0.000 0.222 499 D C 1.072 177.388 176.300 0.027 0.000 0.980 499 D CA 1.027 55.051 54.000 0.041 0.000 0.907 499 D CB -0.127 40.684 40.800 0.020 0.000 0.899 499 D HN 0.285 nan 8.370 nan 0.000 0.527 500 Y N 0.871 121.087 120.300 -0.139 0.000 2.190 500 Y HA 0.178 4.727 4.550 -0.000 0.000 0.290 500 Y C 2.596 178.491 175.900 -0.008 0.000 1.115 500 Y CA 0.369 58.359 58.100 -0.184 0.000 1.107 500 Y CB -0.508 37.618 38.460 -0.556 0.000 1.033 500 Y HN -0.154 nan 8.280 nan 0.000 0.502 501 L N -0.285 120.968 121.223 0.050 0.000 2.191 501 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 501 L C 1.594 178.531 176.870 0.113 0.000 1.103 501 L CA 1.291 56.103 54.840 -0.046 0.000 0.769 501 L CB -0.445 41.381 42.059 -0.389 0.000 0.908 501 L HN 0.178 nan 8.230 nan 0.000 0.438 502 D N 0.361 120.797 120.400 0.060 0.000 2.117 502 D HA -0.067 4.573 4.640 -0.000 0.000 0.198 502 D C 1.802 178.158 176.300 0.093 0.000 0.982 502 D CA 1.540 55.573 54.000 0.056 0.000 0.828 502 D CB -0.116 40.692 40.800 0.014 0.000 0.967 502 D HN 0.321 nan 8.370 nan 0.000 0.464 503 G N -0.651 108.212 108.800 0.105 0.000 2.166 503 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.260 503 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.260 503 G C 1.371 176.295 174.900 0.039 0.000 0.986 503 G CA 1.031 46.188 45.100 0.094 0.000 0.683 503 G HN 0.351 nan 8.290 nan 0.000 0.527 504 S N -1.148 114.566 115.700 0.022 0.000 2.345 504 S HA 0.193 4.663 4.470 -0.000 0.000 0.219 504 S C 1.469 176.065 174.600 -0.006 0.000 1.031 504 S CA 1.295 59.499 58.200 0.006 0.000 0.984 504 S CB -0.146 63.055 63.200 0.002 0.000 0.874 504 S HN 1.419 nan 8.310 nan 0.000 0.451 505 V N 0.089 119.992 119.914 -0.018 0.000 2.966 505 V HA 0.510 4.630 4.120 -0.000 0.000 0.317 505 V C -0.489 175.576 176.094 -0.049 0.000 1.070 505 V CA -1.345 60.937 62.300 -0.030 0.000 1.008 505 V CB 1.075 32.877 31.823 -0.034 0.000 1.070 505 V HN 0.071 nan 8.190 nan 0.000 0.457 506 K N 1.645 122.015 120.400 -0.049 0.000 2.234 506 K HA 0.580 4.899 4.320 -0.000 0.000 0.282 506 K C -0.361 176.175 176.600 -0.107 0.000 1.039 506 K CA -0.467 55.783 56.287 -0.060 0.000 0.928 506 K CB 1.679 34.157 32.500 -0.036 0.000 1.039 506 K HN 0.782 nan 8.250 nan 0.000 0.470 507 V N -0.070 119.737 119.914 -0.177 0.000 2.837 507 V HA 0.350 4.470 4.120 -0.000 0.000 0.310 507 V C -0.309 175.709 176.094 -0.126 0.000 1.059 507 V CA -1.076 61.050 62.300 -0.289 0.000 1.004 507 V CB 1.435 32.762 31.823 -0.826 0.000 1.045 507 V HN 0.607 nan 8.190 nan 0.000 0.465 508 N N 3.680 122.342 118.700 -0.063 0.000 2.527 508 N HA 0.464 5.204 4.740 -0.000 0.000 0.236 508 N C -0.763 174.800 175.510 0.088 0.000 0.999 508 N CA -0.151 52.912 53.050 0.022 0.000 0.935 508 N CB 1.380 39.886 38.487 0.031 0.000 1.132 508 N HN 0.674 nan 8.380 nan 0.000 0.511 509 L N 0.829 122.120 121.223 0.113 0.000 2.312 509 L HA 0.368 4.708 4.340 -0.000 0.000 0.281 509 L C 0.857 177.821 176.870 0.157 0.000 1.070 509 L CA -0.563 54.384 54.840 0.180 0.000 0.805 509 L CB 1.100 43.277 42.059 0.197 0.000 1.174 509 L HN 0.399 nan 8.230 nan 0.000 0.434 510 E N 3.862 124.181 120.200 0.198 0.000 2.191 510 E HA 0.342 4.692 4.350 -0.000 0.000 0.278 510 E C -1.031 175.705 176.600 0.227 0.000 0.972 510 E CA -0.776 55.755 56.400 0.218 0.000 0.804 510 E CB 1.480 31.341 29.700 0.268 0.000 1.110 510 E HN 0.436 nan 8.360 nan 0.000 0.394 511 K N 4.062 124.552 120.400 0.150 0.000 2.668 511 K HA 0.137 4.456 4.320 -0.000 0.000 0.246 511 K C -1.433 175.136 176.600 -0.051 0.000 0.976 511 K CA -0.545 55.749 56.287 0.012 0.000 0.902 511 K CB 0.701 33.201 32.500 -0.000 0.000 1.172 511 K HN 0.608 nan 8.250 nan 0.000 0.452 512 K N 4.198 124.438 120.400 -0.266 0.000 3.510 512 K HA -0.174 4.146 4.320 -0.000 0.000 0.275 512 K C -0.825 175.851 176.600 0.127 0.000 1.094 512 K CA 1.155 57.310 56.287 -0.219 0.000 0.822 512 K CB -1.635 30.771 32.500 -0.157 0.000 1.351 512 K HN 1.150 nan 8.250 nan 0.000 0.458 513 H N -2.744 116.509 119.070 0.305 0.000 3.010 513 H HA -0.249 4.307 4.556 -0.000 0.000 0.272 513 H C -0.348 175.078 175.328 0.163 0.000 1.151 513 H CA 0.940 57.155 56.048 0.279 0.000 1.159 513 H CB -0.542 29.329 29.762 0.183 0.000 1.295 513 H HN 0.344 nan 8.280 nan 0.000 0.344 514 L N 0.319 121.698 121.223 0.260 0.000 2.466 514 L HA 0.373 4.713 4.340 -0.000 0.000 0.258 514 L C -0.362 176.589 176.870 0.136 0.000 0.973 514 L CA -0.638 54.294 54.840 0.153 0.000 0.826 514 L CB 1.620 43.745 42.059 0.109 0.000 1.372 514 L HN 0.007 nan 8.230 nan 0.000 0.409 515 N N 3.198 121.958 118.700 0.100 0.000 2.878 515 N HA 0.066 4.806 4.740 -0.000 0.000 0.282 515 N C 0.332 175.883 175.510 0.069 0.000 1.284 515 N CA -0.112 52.992 53.050 0.089 0.000 1.053 515 N CB 0.295 38.823 38.487 0.068 0.000 1.382 515 N HN 0.559 nan 8.380 nan 0.000 0.529 516 K N 0.336 120.779 120.400 0.070 0.000 2.385 516 K HA -0.159 4.161 4.320 -0.000 0.000 0.202 516 K C 0.629 177.253 176.600 0.041 0.000 1.044 516 K CA 1.010 57.327 56.287 0.049 0.000 0.933 516 K CB 0.119 32.644 32.500 0.042 0.000 0.744 516 K HN 0.324 nan 8.250 nan 0.000 0.479 517 R N -0.484 120.045 120.500 0.049 0.000 2.563 517 R HA 0.117 4.457 4.340 -0.000 0.000 0.262 517 R C -1.621 174.702 176.300 0.039 0.000 1.128 517 R CA -0.087 56.036 56.100 0.038 0.000 0.969 517 R CB 1.810 32.132 30.300 0.036 0.000 1.251 517 R HN -0.239 nan 8.270 nan 0.000 0.442 518 T N 4.396 118.963 114.554 0.023 0.000 2.772 518 T HA 0.392 4.742 4.350 -0.000 0.000 0.288 518 T C -1.034 173.668 174.700 0.003 0.000 0.994 518 T CA -0.423 61.684 62.100 0.011 0.000 0.951 518 T CB 1.132 70.003 68.868 0.004 0.000 0.933 518 T HN 0.624 nan 8.240 nan 0.000 0.447 519 Q N 2.252 122.052 119.800 0.000 0.000 2.814 519 Q HA 0.671 5.011 4.340 -0.000 0.000 0.322 519 Q C -1.528 174.467 176.000 -0.008 0.000 0.888 519 Q CA -1.181 54.620 55.803 -0.004 0.000 0.768 519 Q CB 0.798 29.536 28.738 0.000 0.000 1.443 519 Q HN 0.366 nan 8.270 nan 0.000 0.497 520 I N 1.393 121.960 120.570 -0.005 0.000 2.312 520 I HA 0.265 4.435 4.170 -0.000 0.000 0.291 520 I C -0.291 175.864 176.117 0.063 0.000 1.031 520 I CA -0.235 61.073 61.300 0.013 0.000 1.293 520 I CB -0.006 37.993 38.000 -0.001 0.000 1.403 520 I HN 0.471 nan 8.210 nan 0.000 0.484 521 F N 9.145 129.053 119.950 -0.069 0.000 2.642 521 F HA 0.127 4.653 4.527 -0.000 0.000 0.371 521 F C -1.695 174.140 175.800 0.058 0.000 1.120 521 F CA -1.011 57.002 58.000 0.021 0.000 1.331 521 F CB 0.092 39.150 39.000 0.096 0.000 1.044 521 F HN 0.388 nan 8.300 nan 0.000 0.594 522 P HA 0.214 nan 4.420 nan 0.000 0.277 522 P C -2.856 174.343 177.300 -0.169 0.000 1.240 522 P CA -1.536 61.360 63.100 -0.341 0.000 0.798 522 P CB 0.758 32.188 31.700 -0.450 0.000 0.979 523 P HA 0.394 nan 4.420 nan 0.000 0.276 523 P C -0.007 176.815 177.300 -0.796 0.000 1.252 523 P CA 0.207 62.985 63.100 -0.537 0.000 0.802 523 P CB 1.037 32.475 31.700 -0.435 0.000 1.035 524 G N -0.277 107.699 108.800 -1.373 0.000 2.435 524 G HA2 0.468 4.427 3.960 -0.000 0.000 0.296 524 G HA3 0.468 4.427 3.960 -0.000 0.000 0.296 524 G C -1.492 173.269 174.900 -0.233 0.000 1.240 524 G CA -0.706 44.039 45.100 -0.593 0.000 0.872 524 G HN 0.416 nan 8.290 nan 0.000 0.480 525 I N -0.530 120.072 120.570 0.054 0.000 2.863 525 I HA 0.686 4.855 4.170 -0.000 0.000 0.311 525 I C -0.577 175.690 176.117 0.250 0.000 1.026 525 I CA -1.289 60.044 61.300 0.055 0.000 1.077 525 I CB 2.245 40.018 38.000 -0.378 0.000 1.262 525 I HN 0.180 nan 8.210 nan 0.000 0.461 526 V N 1.770 121.761 119.914 0.127 0.000 2.498 526 V HA 0.205 4.325 4.120 -0.000 0.000 0.283 526 V C -0.055 176.067 176.094 0.047 0.000 1.015 526 V CA -0.595 61.821 62.300 0.194 0.000 0.867 526 V CB 1.558 33.502 31.823 0.202 0.000 1.025 526 V HN 0.921 nan 8.190 nan 0.000 0.441 527 T N 3.123 117.729 114.554 0.088 0.000 2.913 527 T HA 0.917 5.267 4.350 -0.000 0.000 0.287 527 T C -0.437 174.341 174.700 0.130 0.000 1.008 527 T CA -0.510 61.665 62.100 0.125 0.000 1.067 527 T CB 1.724 70.664 68.868 0.119 0.000 0.996 527 T HN 0.929 nan 8.240 nan 0.000 0.513 528 M N 0.156 119.841 119.600 0.141 0.000 2.724 528 M HA 0.439 4.919 4.480 -0.000 0.000 0.280 528 M C -1.513 174.876 176.300 0.148 0.000 1.090 528 M CA -1.003 54.399 55.300 0.170 0.000 0.838 528 M CB 0.817 33.534 32.600 0.195 0.000 1.729 528 M HN 0.534 nan 8.290 nan 0.000 0.530 529 N N 0.196 118.978 118.700 0.137 0.000 2.294 529 N HA 0.263 5.002 4.740 -0.000 0.000 0.248 529 N C -1.005 174.454 175.510 -0.086 0.000 1.300 529 N CA -0.599 52.434 53.050 -0.029 0.000 0.925 529 N CB 0.365 38.746 38.487 -0.176 0.000 1.188 529 N HN 0.666 nan 8.380 nan 0.000 0.512 530 E N 0.445 120.543 120.200 -0.171 0.000 1.800 530 E HA 0.034 4.384 4.350 -0.000 0.000 0.262 530 E C -1.148 175.345 176.600 -0.179 0.000 1.219 530 E CA 0.402 56.732 56.400 -0.117 0.000 1.051 530 E CB -0.283 29.365 29.700 -0.086 0.000 1.074 530 E HN 0.337 nan 8.360 nan 0.000 0.433 531 Y N -0.125 120.194 120.300 0.032 0.000 2.602 531 Y HA 0.348 4.898 4.550 -0.000 0.000 0.330 531 Y C 0.887 176.807 175.900 0.032 0.000 1.114 531 Y CA -1.215 56.901 58.100 0.028 0.000 1.182 531 Y CB 1.498 39.974 38.460 0.028 0.000 1.305 531 Y HN 0.075 nan 8.280 nan 0.000 0.502 532 S N 0.853 116.689 115.700 0.228 0.000 2.545 532 S HA 0.442 4.912 4.470 -0.000 0.000 0.275 532 S C -0.917 173.751 174.600 0.113 0.000 1.299 532 S CA -0.582 57.696 58.200 0.129 0.000 1.048 532 S CB 0.425 63.680 63.200 0.091 0.000 0.938 532 S HN 0.320 nan 8.310 nan 0.000 0.496 533 V N 6.464 126.439 119.914 0.102 0.000 2.444 533 V HA 0.358 4.478 4.120 -0.000 0.000 0.294 533 V C -2.207 173.927 176.094 0.067 0.000 1.022 533 V CA -1.898 60.463 62.300 0.102 0.000 0.850 533 V CB 1.363 33.286 31.823 0.166 0.000 0.992 533 V HN 0.680 nan 8.190 nan 0.000 0.426 534 P HA 0.132 nan 4.420 nan 0.000 0.269 534 P C 0.834 178.135 177.300 0.003 0.000 1.209 534 P CA -0.375 62.729 63.100 0.006 0.000 0.776 534 P CB 0.539 32.226 31.700 -0.021 0.000 0.876 535 K N 0.513 120.912 120.400 -0.001 0.000 2.211 535 K HA -0.170 4.150 4.320 -0.000 0.000 0.204 535 K C 1.266 177.848 176.600 -0.029 0.000 1.047 535 K CA 2.008 58.293 56.287 -0.004 0.000 0.935 535 K CB -1.081 31.417 32.500 -0.003 0.000 0.728 535 K HN 0.498 nan 8.250 nan 0.000 0.452 536 T N 0.195 114.721 114.554 -0.046 0.000 2.777 536 T HA -0.109 4.241 4.350 -0.000 0.000 0.266 536 T C 1.872 176.499 174.700 -0.122 0.000 1.040 536 T CA 0.913 62.970 62.100 -0.072 0.000 1.141 536 T CB -0.291 68.536 68.868 -0.068 0.000 0.868 536 T HN 0.208 nan 8.240 nan 0.000 0.444 537 L N 0.988 122.131 121.223 -0.134 0.000 2.131 537 L HA 0.220 4.560 4.340 -0.000 0.000 0.206 537 L C 2.630 179.291 176.870 -0.348 0.000 1.087 537 L CA 1.608 56.305 54.840 -0.237 0.000 0.767 537 L CB -0.991 40.976 42.059 -0.152 0.000 0.917 537 L HN 0.215 nan 8.230 nan 0.000 0.441 538 Q N 0.247 119.975 119.800 -0.119 0.000 2.170 538 Q HA -0.078 4.262 4.340 -0.000 0.000 0.203 538 Q C 1.881 177.837 176.000 -0.073 0.000 0.976 538 Q CA 1.624 57.432 55.803 0.009 0.000 0.858 538 Q CB -0.354 28.438 28.738 0.090 0.000 0.907 538 Q HN 0.590 nan 8.270 nan 0.000 0.433 539 A N -0.384 122.368 122.820 -0.113 0.000 2.255 539 A HA -0.011 4.309 4.320 -0.000 0.000 0.206 539 A C 1.171 178.679 177.584 -0.128 0.000 1.193 539 A CA 0.382 52.371 52.037 -0.080 0.000 0.794 539 A CB -0.106 18.857 19.000 -0.061 0.000 0.794 539 A HN 0.151 nan 8.150 nan 0.000 0.481 540 R N -1.330 118.981 120.500 -0.315 0.000 2.397 540 R HA 0.262 4.602 4.340 -0.000 0.000 0.241 540 R C -0.846 175.328 176.300 -0.210 0.000 0.914 540 R CA -0.057 55.852 56.100 -0.318 0.000 1.071 540 R CB -0.305 29.689 30.300 -0.509 0.000 1.116 540 R HN 0.535 nan 8.270 nan 0.000 0.524 541 F N 1.162 121.196 119.950 0.141 0.000 2.332 541 F HA 0.134 4.660 4.527 -0.000 0.000 0.368 541 F C 1.745 177.631 175.800 0.142 0.000 1.110 541 F CA -0.919 57.198 58.000 0.195 0.000 1.087 541 F CB 1.424 40.525 39.000 0.168 0.000 1.235 541 F HN -0.327 nan 8.300 nan 0.000 0.470 542 V N 0.213 120.333 119.914 0.343 0.000 2.427 542 V HA -0.087 4.033 4.120 -0.000 0.000 0.248 542 V C 0.679 176.812 176.094 0.064 0.000 1.051 542 V CA 1.139 63.556 62.300 0.196 0.000 1.048 542 V CB -0.627 31.334 31.823 0.230 0.000 0.666 542 V HN 0.659 nan 8.190 nan 0.000 0.456 543 K N 0.239 120.612 120.400 -0.045 0.000 2.426 543 K HA 0.550 4.870 4.320 -0.000 0.000 0.251 543 K C -1.203 175.300 176.600 -0.162 0.000 0.941 543 K CA -0.706 55.400 56.287 -0.302 0.000 0.808 543 K CB 2.320 34.252 32.500 -0.947 0.000 1.265 543 K HN 0.333 nan 8.250 nan 0.000 0.432 544 Q N 4.395 124.118 119.800 -0.129 0.000 2.285 544 Q HA 0.408 4.748 4.340 -0.000 0.000 0.269 544 Q C -1.664 174.288 176.000 -0.079 0.000 1.030 544 Q CA -0.636 55.149 55.803 -0.030 0.000 0.788 544 Q CB 1.422 30.169 28.738 0.015 0.000 1.266 544 Q HN 0.614 nan 8.270 nan 0.000 0.438 545 I N 3.288 123.843 120.570 -0.025 0.000 2.378 545 I HA 0.325 4.495 4.170 -0.000 0.000 0.291 545 I C -0.725 175.259 176.117 -0.222 0.000 0.992 545 I CA -0.710 60.450 61.300 -0.234 0.000 1.154 545 I CB 1.740 39.486 38.000 -0.424 0.000 1.315 545 I HN 0.550 nan 8.210 nan 0.000 0.448 546 D N 7.114 127.346 120.400 -0.280 0.000 2.373 546 D HA 0.307 4.947 4.640 -0.000 0.000 0.227 546 D C -0.704 175.453 176.300 -0.239 0.000 1.091 546 D CA -0.150 53.770 54.000 -0.134 0.000 0.840 546 D CB 1.318 42.069 40.800 -0.082 0.000 1.060 546 D HN 0.102 nan 8.370 nan 0.000 0.502 547 F N 2.106 121.999 119.950 -0.094 0.000 2.379 547 F HA 0.399 4.926 4.527 -0.000 0.000 0.332 547 F C 1.140 176.890 175.800 -0.083 0.000 1.096 547 F CA -0.470 57.464 58.000 -0.110 0.000 1.105 547 F CB 1.014 39.939 39.000 -0.125 0.000 1.189 547 F HN -0.076 nan 8.300 nan 0.000 0.515 548 R N 1.496 122.036 120.500 0.067 0.000 2.725 548 R HA 0.415 4.755 4.340 -0.000 0.000 0.277 548 R C -2.908 173.382 176.300 -0.018 0.000 0.987 548 R CA -2.376 53.730 56.100 0.010 0.000 0.901 548 R CB 1.489 31.772 30.300 -0.028 0.000 1.207 548 R HN 0.255 nan 8.270 nan 0.000 0.463 549 P HA 0.108 nan 4.420 nan 0.000 0.267 549 P C -0.798 176.432 177.300 -0.116 0.000 1.209 549 P CA 0.226 63.285 63.100 -0.070 0.000 0.763 549 P CB 0.482 32.148 31.700 -0.057 0.000 0.816 550 K N 3.013 123.287 120.400 -0.209 0.000 2.394 550 K HA 0.172 4.492 4.320 -0.000 0.000 0.260 550 K C 0.471 176.844 176.600 -0.378 0.000 0.967 550 K CA -0.618 55.456 56.287 -0.355 0.000 0.855 550 K CB 1.602 33.691 32.500 -0.684 0.000 1.101 550 K HN 0.343 nan 8.250 nan 0.000 0.433 551 D N 1.935 122.220 120.400 -0.191 0.000 2.103 551 D HA -0.236 4.404 4.640 -0.000 0.000 0.190 551 D C 1.807 178.064 176.300 -0.072 0.000 0.997 551 D CA 2.083 56.013 54.000 -0.117 0.000 0.833 551 D CB -0.111 40.756 40.800 0.112 0.000 0.961 551 D HN 0.673 nan 8.370 nan 0.000 0.447 552 Y N 0.674 121.015 120.300 0.069 0.000 2.165 552 Y HA -0.111 4.439 4.550 -0.000 0.000 0.286 552 Y C 2.437 178.369 175.900 0.054 0.000 1.155 552 Y CA 0.709 58.868 58.100 0.097 0.000 1.164 552 Y CB -1.023 37.441 38.460 0.007 0.000 0.978 552 Y HN -0.087 nan 8.280 nan 0.000 0.513 553 L N 0.484 121.422 121.223 -0.474 0.000 2.079 553 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 553 L C 2.812 179.779 176.870 0.162 0.000 1.081 553 L CA 2.025 56.760 54.840 -0.175 0.000 0.752 553 L CB -0.549 41.226 42.059 -0.472 0.000 0.896 553 L HN 0.317 nan 8.230 nan 0.000 0.433 554 K N -0.892 119.478 120.400 -0.048 0.000 2.007 554 K HA -0.161 4.158 4.320 -0.000 0.000 0.206 554 K C 2.258 178.829 176.600 -0.048 0.000 1.047 554 K CA 0.957 57.203 56.287 -0.069 0.000 0.937 554 K CB -0.024 32.348 32.500 -0.214 0.000 0.718 554 K HN 0.301 nan 8.250 nan 0.000 0.438 555 H N 0.330 119.430 119.070 0.051 0.000 2.319 555 H HA -0.201 4.355 4.556 -0.000 0.000 0.297 555 H C 2.478 177.847 175.328 0.067 0.000 1.097 555 H CA 1.521 57.600 56.048 0.051 0.000 1.285 555 H CB -0.898 28.899 29.762 0.058 0.000 1.368 555 H HN 0.407 nan 8.280 nan 0.000 0.495 556 C N 1.018 120.465 119.300 0.244 0.000 2.403 556 C HA -0.119 4.340 4.460 -0.000 0.000 0.279 556 C C 2.917 177.979 174.990 0.121 0.000 1.269 556 C CA 0.599 59.745 59.018 0.213 0.000 1.774 556 C CB -1.508 26.421 27.740 0.315 0.000 1.993 556 C HN 0.406 nan 8.230 nan 0.000 0.496 557 L N 0.219 121.491 121.223 0.082 0.000 2.072 557 L HA -0.073 4.267 4.340 -0.000 0.000 0.205 557 L C 2.720 179.533 176.870 -0.095 0.000 1.079 557 L CA 1.774 56.547 54.840 -0.112 0.000 0.752 557 L CB -0.709 41.242 42.059 -0.180 0.000 0.906 557 L HN 0.411 nan 8.230 nan 0.000 0.436 558 E N 0.088 120.276 120.200 -0.020 0.000 2.171 558 E HA -0.252 4.098 4.350 -0.000 0.000 0.197 558 E C 2.051 178.653 176.600 0.003 0.000 0.997 558 E CA 1.213 57.610 56.400 -0.005 0.000 0.810 558 E CB -0.027 29.701 29.700 0.047 0.000 0.738 558 E HN 0.355 nan 8.360 nan 0.000 0.467 559 R N -0.191 120.323 120.500 0.023 0.000 2.280 559 R HA 0.161 4.501 4.340 -0.000 0.000 0.195 559 R C 0.282 176.596 176.300 0.023 0.000 0.935 559 R CA 0.246 56.369 56.100 0.037 0.000 1.033 559 R CB 0.744 31.081 30.300 0.062 0.000 0.964 559 R HN -0.149 nan 8.270 nan 0.000 0.489 560 S N 1.207 116.865 115.700 -0.071 0.000 2.078 560 S HA 0.082 4.552 4.470 -0.000 0.000 0.168 560 S C 0.109 174.446 174.600 -0.439 0.000 1.542 560 S CA -0.541 57.519 58.200 -0.235 0.000 1.223 560 S CB 0.844 63.845 63.200 -0.331 0.000 1.152 560 S HN 0.196 nan 8.310 nan 0.000 0.452 561 E N 1.749 121.830 120.200 -0.199 0.000 2.110 561 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 561 E C 1.424 177.886 176.600 -0.230 0.000 0.988 561 E CA 1.202 57.493 56.400 -0.182 0.000 0.804 561 E CB -0.997 28.675 29.700 -0.047 0.000 0.745 561 E HN 0.723 nan 8.360 nan 0.000 0.458 562 F N 1.119 121.010 119.950 -0.098 0.000 2.192 562 F HA -0.107 4.420 4.527 -0.000 0.000 0.301 562 F C 1.807 177.488 175.800 -0.199 0.000 1.079 562 F CA 0.953 58.883 58.000 -0.117 0.000 1.303 562 F CB -0.791 38.160 39.000 -0.082 0.000 1.024 562 F HN -0.057 nan 8.300 nan 0.000 0.494 563 L N -0.199 120.491 121.223 -0.888 0.000 2.265 563 L HA -0.153 4.187 4.340 -0.000 0.000 0.215 563 L C 2.412 178.989 176.870 -0.488 0.000 1.117 563 L CA 0.933 55.360 54.840 -0.689 0.000 0.782 563 L CB -0.479 41.065 42.059 -0.858 0.000 0.914 563 L HN 0.367 nan 8.230 nan 0.000 0.441 564 L N -1.331 119.654 121.223 -0.397 0.000 2.262 564 L HA -0.025 4.314 4.340 -0.000 0.000 0.197 564 L C 2.447 179.206 176.870 -0.185 0.000 1.073 564 L CA 0.443 55.109 54.840 -0.290 0.000 0.800 564 L CB -0.171 41.732 42.059 -0.260 0.000 0.987 564 L HN 0.119 nan 8.230 nan 0.000 0.470 565 E N 0.741 120.860 120.200 -0.136 0.000 2.065 565 E HA -0.298 4.052 4.350 -0.000 0.000 0.201 565 E C 1.667 178.233 176.600 -0.056 0.000 1.016 565 E CA 1.526 57.884 56.400 -0.069 0.000 0.818 565 E CB -0.108 29.578 29.700 -0.023 0.000 0.749 565 E HN 0.369 nan 8.360 nan 0.000 0.453 566 K N 0.148 120.509 120.400 -0.065 0.000 2.487 566 K HA 0.104 4.424 4.320 -0.000 0.000 0.192 566 K C -0.141 176.394 176.600 -0.109 0.000 1.027 566 K CA -0.051 56.207 56.287 -0.048 0.000 1.054 566 K CB 0.208 32.693 32.500 -0.026 0.000 0.824 566 K HN 0.060 nan 8.250 nan 0.000 0.510 567 R N 0.239 120.644 120.500 -0.159 0.000 3.416 567 R HA -0.205 4.135 4.340 -0.000 0.000 0.263 567 R C 0.602 176.742 176.300 -0.266 0.000 1.053 567 R CA 0.292 56.291 56.100 -0.169 0.000 0.705 567 R CB -2.500 27.758 30.300 -0.071 0.000 1.124 567 R HN 0.315 nan 8.270 nan 0.000 0.444 568 I N 0.209 120.492 120.570 -0.478 0.000 2.333 568 I HA -0.208 3.962 4.170 -0.000 0.000 0.246 568 I C 2.402 178.266 176.117 -0.420 0.000 1.106 568 I CA 1.529 62.346 61.300 -0.806 0.000 1.411 568 I CB -0.176 37.212 38.000 -1.020 0.000 1.082 568 I HN 0.360 nan 8.210 nan 0.000 0.420 569 I N -1.498 118.862 120.570 -0.350 0.000 3.291 569 I HA -0.119 4.051 4.170 -0.000 0.000 0.279 569 I C 1.700 177.753 176.117 -0.106 0.000 1.294 569 I CA 1.113 62.280 61.300 -0.223 0.000 1.428 569 I CB -0.382 37.354 38.000 -0.440 0.000 1.070 569 I HN 0.275 nan 8.210 nan 0.000 0.478 570 Q N 0.980 120.713 119.800 -0.112 0.000 2.282 570 Q HA 0.218 4.558 4.340 -0.000 0.000 0.206 570 Q C 0.880 176.893 176.000 0.020 0.000 0.878 570 Q CA -0.147 55.633 55.803 -0.039 0.000 0.944 570 Q CB 0.674 29.377 28.738 -0.058 0.000 1.100 570 Q HN 0.528 nan 8.270 nan 0.000 0.509 571 S N -0.732 114.999 115.700 0.053 0.000 2.584 571 S HA 0.306 4.776 4.470 -0.000 0.000 0.273 571 S C 1.152 175.851 174.600 0.165 0.000 1.311 571 S CA -0.159 58.136 58.200 0.160 0.000 1.034 571 S CB 1.356 64.782 63.200 0.377 0.000 0.939 571 S HN 0.340 nan 8.310 nan 0.000 0.513 572 G N 3.491 112.369 108.800 0.131 0.000 2.572 572 G HA2 0.016 3.976 3.960 -0.000 0.000 0.216 572 G HA3 0.016 3.976 3.960 -0.000 0.000 0.216 572 G C 1.220 176.171 174.900 0.086 0.000 1.133 572 G CA 0.114 45.273 45.100 0.098 0.000 0.791 572 G HN 0.729 nan 8.290 nan 0.000 0.538 573 I N 1.611 122.256 120.570 0.124 0.000 2.315 573 I HA -0.127 4.043 4.170 -0.000 0.000 0.248 573 I C 3.144 179.354 176.117 0.156 0.000 1.117 573 I CA 1.194 62.525 61.300 0.052 0.000 1.404 573 I CB -0.982 36.991 38.000 -0.045 0.000 1.071 573 I HN 0.252 nan 8.210 nan 0.000 0.419 574 A N 1.529 124.547 122.820 0.331 0.000 1.858 574 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 574 A C 2.362 180.057 177.584 0.185 0.000 1.190 574 A CA 1.317 53.544 52.037 0.316 0.000 0.617 574 A CB -0.915 18.255 19.000 0.283 0.000 0.827 574 A HN 0.381 nan 8.150 nan 0.000 0.443 575 L N -1.095 120.220 121.223 0.154 0.000 2.127 575 L HA -0.183 4.157 4.340 -0.000 0.000 0.211 575 L C 2.578 179.501 176.870 0.088 0.000 1.089 575 L CA 1.117 56.041 54.840 0.140 0.000 0.757 575 L CB -0.573 41.566 42.059 0.133 0.000 0.899 575 L HN 0.455 nan 8.230 nan 0.000 0.434 576 L N -0.147 121.068 121.223 -0.015 0.000 2.027 576 L HA -0.186 4.154 4.340 -0.000 0.000 0.206 576 L C 2.372 179.203 176.870 -0.064 0.000 1.074 576 L CA 1.591 56.337 54.840 -0.157 0.000 0.745 576 L CB -0.336 41.510 42.059 -0.355 0.000 0.898 576 L HN 0.072 nan 8.230 nan 0.000 0.433 577 L N -1.197 120.001 121.223 -0.040 0.000 2.079 577 L HA -0.290 4.050 4.340 -0.000 0.000 0.210 577 L C 2.617 179.541 176.870 0.091 0.000 1.081 577 L CA 1.914 56.747 54.840 -0.013 0.000 0.752 577 L CB -0.392 41.667 42.059 0.001 0.000 0.896 577 L HN 0.462 nan 8.230 nan 0.000 0.433 578 M N -0.452 119.240 119.600 0.153 0.000 2.086 578 M HA -0.234 4.246 4.480 -0.000 0.000 0.261 578 M C 2.231 178.769 176.300 0.397 0.000 1.067 578 M CA 1.813 57.287 55.300 0.291 0.000 1.116 578 M CB -0.032 32.744 32.600 0.294 0.000 1.348 578 M HN 0.171 nan 8.290 nan 0.000 0.407 579 L N 0.052 121.463 121.223 0.314 0.000 2.131 579 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 579 L C 2.334 179.479 176.870 0.458 0.000 1.092 579 L CA 1.127 56.206 54.840 0.398 0.000 0.759 579 L CB -0.684 41.621 42.059 0.411 0.000 0.903 579 L HN 0.416 nan 8.230 nan 0.000 0.435 580 I N -1.473 119.274 120.570 0.295 0.000 2.315 580 I HA -0.313 3.856 4.170 -0.000 0.000 0.248 580 I C 2.405 178.660 176.117 0.230 0.000 1.117 580 I CA 1.385 62.789 61.300 0.174 0.000 1.404 580 I CB -0.329 37.702 38.000 0.051 0.000 1.071 580 I HN 0.520 nan 8.210 nan 0.000 0.419 581 W N 1.055 122.345 121.300 -0.016 0.000 2.408 581 W HA -0.232 4.428 4.660 -0.000 0.000 0.311 581 W C 2.166 178.574 176.519 -0.185 0.000 1.190 581 W CA 1.481 58.706 57.345 -0.201 0.000 1.321 581 W CB -0.170 29.026 29.460 -0.439 0.000 1.143 581 W HN 0.055 nan 8.180 nan 0.000 0.501 582 Y N 0.370 120.723 120.300 0.088 0.000 2.217 582 Y HA 0.098 4.648 4.550 -0.000 0.000 0.286 582 Y C 1.436 177.348 175.900 0.020 0.000 1.117 582 Y CA 0.565 58.649 58.100 -0.026 0.000 1.113 582 Y CB -1.119 37.373 38.460 0.052 0.000 1.053 582 Y HN -0.496 nan 8.280 nan 0.000 0.501 583 R N 2.093 122.767 120.500 0.290 0.000 2.587 583 R HA -0.045 4.294 4.340 -0.000 0.000 0.268 583 R C -2.568 173.867 176.300 0.225 0.000 0.978 583 R CA -0.806 55.397 56.100 0.171 0.000 1.097 583 R CB -1.035 29.369 30.300 0.173 0.000 0.917 583 R HN 0.127 nan 8.270 nan 0.000 0.414 584 P HA 0.040 nan 4.420 nan 0.000 0.274 584 P C 0.868 178.340 177.300 0.287 0.000 1.237 584 P CA -0.382 62.799 63.100 0.136 0.000 0.793 584 P CB 0.576 32.302 31.700 0.044 0.000 0.977 585 V N 1.527 121.568 119.914 0.212 0.000 2.358 585 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 585 V C 2.294 178.575 176.094 0.310 0.000 1.047 585 V CA 2.660 65.114 62.300 0.257 0.000 1.035 585 V CB -1.590 30.304 31.823 0.118 0.000 0.658 585 V HN 0.667 nan 8.190 nan 0.000 0.452 586 A N -0.559 122.372 122.820 0.185 0.000 2.024 586 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 586 A C 2.043 179.719 177.584 0.153 0.000 1.164 586 A CA 1.633 53.758 52.037 0.147 0.000 0.643 586 A CB -0.467 18.587 19.000 0.089 0.000 0.806 586 A HN 0.656 nan 8.150 nan 0.000 0.451 587 E N -1.502 118.774 120.200 0.128 0.000 2.478 587 E HA -0.009 4.341 4.350 -0.000 0.000 0.198 587 E C -0.623 175.960 176.600 -0.027 0.000 1.046 587 E CA 0.034 56.446 56.400 0.019 0.000 0.870 587 E CB -0.052 29.520 29.700 -0.215 0.000 0.818 587 E HN 0.678 nan 8.360 nan 0.000 0.527 588 F N 0.368 120.420 119.950 0.169 0.000 2.450 588 F HA 0.432 4.959 4.527 -0.000 0.000 0.328 588 F C 0.585 176.448 175.800 0.106 0.000 1.068 588 F CA -1.304 56.796 58.000 0.167 0.000 1.007 588 F CB 0.661 39.771 39.000 0.182 0.000 1.251 588 F HN -0.253 nan 8.300 nan 0.000 0.492 589 A N 1.871 124.850 122.820 0.265 0.000 2.520 589 A HA 0.154 4.474 4.320 -0.000 0.000 0.245 589 A C 1.345 179.018 177.584 0.149 0.000 1.072 589 A CA -0.570 51.555 52.037 0.146 0.000 0.761 589 A CB 0.210 19.262 19.000 0.087 0.000 1.004 589 A HN 0.815 nan 8.150 nan 0.000 0.499 590 Q N 3.322 123.188 119.800 0.110 0.000 2.197 590 Q HA -0.251 4.089 4.340 -0.000 0.000 0.211 590 Q C 1.637 177.685 176.000 0.080 0.000 0.993 590 Q CA 2.508 58.365 55.803 0.091 0.000 0.883 590 Q CB -1.625 27.154 28.738 0.068 0.000 0.916 590 Q HN 0.727 nan 8.270 nan 0.000 0.418 591 S N 2.175 117.918 115.700 0.072 0.000 2.365 591 S HA -0.130 4.339 4.470 -0.000 0.000 0.225 591 S C 2.151 176.793 174.600 0.070 0.000 1.039 591 S CA 1.825 60.062 58.200 0.062 0.000 1.033 591 S CB -0.570 62.661 63.200 0.052 0.000 0.887 591 S HN 0.719 nan 8.310 nan 0.000 0.447 592 I N -0.851 119.775 120.570 0.093 0.000 3.956 592 I HA 0.195 4.365 4.170 -0.000 0.000 0.333 592 I C 1.758 177.911 176.117 0.060 0.000 1.302 592 I CA 0.036 61.388 61.300 0.087 0.000 1.122 592 I CB -0.488 37.581 38.000 0.115 0.000 1.013 592 I HN 0.105 nan 8.210 nan 0.000 0.405 593 Q N 2.273 122.122 119.800 0.081 0.000 2.217 593 Q HA -0.210 4.130 4.340 -0.000 0.000 0.209 593 Q C 2.508 178.520 176.000 0.020 0.000 0.988 593 Q CA 2.572 58.409 55.803 0.056 0.000 0.878 593 Q CB -0.200 28.595 28.738 0.094 0.000 0.909 593 Q HN 0.813 nan 8.270 nan 0.000 0.424 594 S N 0.375 116.095 115.700 0.033 0.000 2.356 594 S HA -0.196 4.274 4.470 -0.000 0.000 0.223 594 S C 1.889 176.506 174.600 0.027 0.000 1.032 594 S CA 1.024 59.239 58.200 0.026 0.000 1.005 594 S CB -0.286 62.932 63.200 0.029 0.000 0.867 594 S HN 0.279 nan 8.310 nan 0.000 0.449 595 R N 0.371 120.899 120.500 0.047 0.000 2.092 595 R HA 0.060 4.400 4.340 -0.000 0.000 0.231 595 R C 2.125 178.491 176.300 0.111 0.000 1.119 595 R CA 1.264 57.421 56.100 0.095 0.000 0.970 595 R CB -0.298 30.072 30.300 0.118 0.000 0.864 595 R HN 0.383 nan 8.270 nan 0.000 0.440 596 I N 0.362 120.922 120.570 -0.017 0.000 2.226 596 I HA -0.224 3.945 4.170 -0.000 0.000 0.245 596 I C 2.288 178.383 176.117 -0.036 0.000 1.100 596 I CA 1.124 62.342 61.300 -0.138 0.000 1.374 596 I CB -0.911 36.826 38.000 -0.439 0.000 1.057 596 I HN 0.047 nan 8.210 nan 0.000 0.413 597 V N 0.941 120.842 119.914 -0.023 0.000 2.287 597 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 597 V C 2.470 178.563 176.094 -0.002 0.000 1.053 597 V CA 1.780 64.075 62.300 -0.008 0.000 1.027 597 V CB -0.635 31.184 31.823 -0.007 0.000 0.646 597 V HN 0.422 nan 8.190 nan 0.000 0.447 598 E N -1.266 118.931 120.200 -0.005 0.000 2.070 598 E HA -0.285 4.065 4.350 -0.000 0.000 0.197 598 E C 1.960 178.470 176.600 -0.151 0.000 1.004 598 E CA 2.003 58.349 56.400 -0.089 0.000 0.805 598 E CB -0.233 29.399 29.700 -0.113 0.000 0.744 598 E HN 0.742 nan 8.360 nan 0.000 0.451 599 W N 0.831 122.095 121.300 -0.059 0.000 2.800 599 W HA 0.022 4.682 4.660 -0.000 0.000 0.249 599 W C 2.046 178.551 176.519 -0.024 0.000 1.294 599 W CA 0.336 57.649 57.345 -0.053 0.000 1.402 599 W CB 0.232 29.649 29.460 -0.072 0.000 1.126 599 W HN -0.061 nan 8.180 nan 0.000 0.652 600 K N 0.036 120.514 120.400 0.130 0.000 2.305 600 K HA -0.065 4.254 4.320 -0.000 0.000 0.199 600 K C 1.468 178.099 176.600 0.051 0.000 1.047 600 K CA 0.982 57.324 56.287 0.092 0.000 0.976 600 K CB 0.162 32.676 32.500 0.024 0.000 0.765 600 K HN 0.209 nan 8.250 nan 0.000 0.474 601 E N -0.059 120.141 120.200 0.000 0.000 2.099 601 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 601 E C 1.869 178.439 176.600 -0.049 0.000 0.962 601 E CA 0.330 56.713 56.400 -0.029 0.000 0.826 601 E CB 0.088 29.753 29.700 -0.058 0.000 0.788 601 E HN 0.020 nan 8.360 nan 0.000 0.461 602 R N 1.297 121.724 120.500 -0.122 0.000 2.103 602 R HA -0.160 4.180 4.340 -0.000 0.000 0.242 602 R C 1.872 178.118 176.300 -0.091 0.000 1.142 602 R CA 1.249 57.229 56.100 -0.200 0.000 0.960 602 R CB -0.583 29.442 30.300 -0.459 0.000 0.858 602 R HN 0.109 nan 8.270 nan 0.000 0.439 603 L N 0.818 122.075 121.223 0.056 0.000 2.395 603 L HA -0.006 4.334 4.340 -0.000 0.000 0.218 603 L C 1.659 178.710 176.870 0.301 0.000 1.130 603 L CA 1.652 56.621 54.840 0.215 0.000 0.826 603 L CB -0.594 41.690 42.059 0.374 0.000 0.941 603 L HN 0.299 nan 8.230 nan 0.000 0.451 604 D N -0.366 120.145 120.400 0.185 0.000 2.162 604 D HA -0.136 4.504 4.640 -0.000 0.000 0.203 604 D C 1.858 178.205 176.300 0.079 0.000 0.967 604 D CA 0.908 55.004 54.000 0.160 0.000 0.840 604 D CB 0.384 41.216 40.800 0.053 0.000 0.972 604 D HN 0.297 nan 8.370 nan 0.000 0.482 605 K N 0.243 120.638 120.400 -0.007 0.000 2.296 605 K HA -0.020 4.300 4.320 -0.000 0.000 0.200 605 K C 1.833 178.352 176.600 -0.135 0.000 1.048 605 K CA 0.439 56.690 56.287 -0.061 0.000 0.966 605 K CB 0.348 32.795 32.500 -0.087 0.000 0.754 605 K HN 0.038 nan 8.250 nan 0.000 0.466 606 E N 0.085 120.161 120.200 -0.206 0.000 2.112 606 E HA 0.057 4.407 4.350 -0.000 0.000 0.190 606 E C 0.051 176.164 176.600 -0.812 0.000 0.979 606 E CA 0.871 56.932 56.400 -0.564 0.000 0.814 606 E CB 0.245 29.503 29.700 -0.737 0.000 0.762 606 E HN 0.098 nan 8.360 nan 0.000 0.460 607 F N -0.427 119.554 119.950 0.051 0.000 2.599 607 F HA 0.260 4.786 4.527 -0.000 0.000 0.311 607 F C 0.185 176.093 175.800 0.181 0.000 1.076 607 F CA -1.219 56.833 58.000 0.087 0.000 0.937 607 F CB 1.579 40.583 39.000 0.006 0.000 1.282 607 F HN -0.338 nan 8.300 nan 0.000 0.460 608 S N 1.816 117.736 115.700 0.365 0.000 2.541 608 S HA 0.450 4.920 4.470 -0.000 0.000 0.283 608 S C 0.789 175.587 174.600 0.329 0.000 1.196 608 S CA -0.843 57.516 58.200 0.265 0.000 1.062 608 S CB 1.141 64.440 63.200 0.165 0.000 1.009 608 S HN 0.742 nan 8.310 nan 0.000 0.502 609 L N 1.998 123.374 121.223 0.256 0.000 2.197 609 L HA -0.178 4.161 4.340 -0.000 0.000 0.215 609 L C 2.865 179.903 176.870 0.278 0.000 1.095 609 L CA 1.770 56.772 54.840 0.270 0.000 0.764 609 L CB -1.074 41.053 42.059 0.113 0.000 0.897 609 L HN 0.987 nan 8.230 nan 0.000 0.436 610 S N -1.290 114.529 115.700 0.199 0.000 2.388 610 S HA -0.093 4.377 4.470 -0.000 0.000 0.223 610 S C 1.906 176.597 174.600 0.153 0.000 1.034 610 S CA 0.689 58.976 58.200 0.145 0.000 0.963 610 S CB -0.380 62.872 63.200 0.087 0.000 0.827 610 S HN 0.143 nan 8.310 nan 0.000 0.481 611 V N 0.823 120.851 119.914 0.190 0.000 2.469 611 V HA -0.119 4.001 4.120 -0.000 0.000 0.251 611 V C 2.140 178.341 176.094 0.179 0.000 1.064 611 V CA 2.062 64.474 62.300 0.187 0.000 1.066 611 V CB -0.766 31.204 31.823 0.245 0.000 0.667 611 V HN 0.738 nan 8.190 nan 0.000 0.461 612 Y N 0.249 120.609 120.300 0.102 0.000 2.314 612 Y HA -0.105 4.445 4.550 -0.000 0.000 0.294 612 Y C 2.523 178.478 175.900 0.090 0.000 1.119 612 Y CA 2.047 60.151 58.100 0.007 0.000 1.179 612 Y CB -0.248 38.229 38.460 0.028 0.000 1.025 612 Y HN 0.306 nan 8.280 nan 0.000 0.541 613 Q N 0.357 120.209 119.800 0.086 0.000 2.124 613 Q HA -0.268 4.072 4.340 -0.000 0.000 0.202 613 Q C 2.153 178.153 176.000 -0.001 0.000 0.977 613 Q CA 2.007 57.830 55.803 0.034 0.000 0.850 613 Q CB -0.085 28.727 28.738 0.123 0.000 0.901 613 Q HN 0.344 nan 8.270 nan 0.000 0.429 614 K N 0.318 120.728 120.400 0.018 0.000 2.026 614 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 614 K C 1.889 178.537 176.600 0.081 0.000 1.048 614 K CA 1.740 58.056 56.287 0.049 0.000 0.929 614 K CB -0.160 32.365 32.500 0.041 0.000 0.713 614 K HN 0.218 nan 8.250 nan 0.000 0.439 615 M N 0.401 119.984 119.600 -0.028 0.000 2.108 615 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 615 M C 2.077 178.347 176.300 -0.051 0.000 1.066 615 M CA 1.805 57.081 55.300 -0.040 0.000 1.107 615 M CB -0.291 32.234 32.600 -0.125 0.000 1.356 615 M HN 0.090 nan 8.290 nan 0.000 0.406 616 K N -0.379 119.923 120.400 -0.164 0.000 2.097 616 K HA -0.149 4.171 4.320 -0.000 0.000 0.205 616 K C 1.837 178.452 176.600 0.024 0.000 1.050 616 K CA 1.294 57.535 56.287 -0.076 0.000 0.938 616 K CB -0.333 32.117 32.500 -0.083 0.000 0.718 616 K HN 0.200 nan 8.250 nan 0.000 0.442 617 F N 3.129 123.039 119.950 -0.066 0.000 2.095 617 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 617 F C 1.699 177.481 175.800 -0.029 0.000 1.104 617 F CA 1.563 59.537 58.000 -0.043 0.000 1.232 617 F CB -0.216 38.767 39.000 -0.027 0.000 0.987 617 F HN 0.033 nan 8.300 nan 0.000 0.475 618 N N 0.472 119.240 118.700 0.112 0.000 2.223 618 N HA -0.149 4.591 4.740 -0.000 0.000 0.185 618 N C 2.029 177.523 175.510 -0.027 0.000 1.016 618 N CA 1.636 54.700 53.050 0.024 0.000 0.863 618 N CB -0.792 37.773 38.487 0.129 0.000 0.983 618 N HN 0.283 nan 8.380 nan 0.000 0.429 619 V N 1.413 121.331 119.914 0.008 0.000 2.343 619 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 619 V C 2.452 178.553 176.094 0.011 0.000 1.051 619 V CA 1.786 64.122 62.300 0.059 0.000 1.036 619 V CB -1.023 30.828 31.823 0.046 0.000 0.654 619 V HN 0.296 nan 8.190 nan 0.000 0.451 620 A N -0.511 122.202 122.820 -0.178 0.000 1.898 620 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 620 A C 2.149 179.487 177.584 -0.410 0.000 1.181 620 A CA 1.771 53.547 52.037 -0.434 0.000 0.620 620 A CB -0.463 18.260 19.000 -0.461 0.000 0.819 620 A HN 0.397 nan 8.150 nan 0.000 0.442 621 M N -1.121 118.240 119.600 -0.398 0.000 2.549 621 M HA 0.034 4.514 4.480 -0.000 0.000 0.260 621 M C 1.484 177.715 176.300 -0.116 0.000 1.076 621 M CA 0.974 56.076 55.300 -0.330 0.000 1.090 621 M CB -1.407 30.933 32.600 -0.434 0.000 1.418 621 M HN 0.830 nan 8.290 nan 0.000 0.486 622 G N 1.331 110.130 108.800 -0.002 0.000 2.198 622 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.257 622 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.257 622 G C 0.104 175.056 174.900 0.087 0.000 1.042 622 G CA 0.121 45.300 45.100 0.132 0.000 0.791 622 G HN 0.374 nan 8.290 nan 0.000 0.502 623 I N -0.529 120.074 120.570 0.054 0.000 3.573 623 I HA 0.707 4.877 4.170 -0.000 0.000 0.285 623 I C 1.371 177.542 176.117 0.091 0.000 1.203 623 I CA -0.884 60.452 61.300 0.061 0.000 1.033 623 I CB -0.014 38.015 38.000 0.048 0.000 1.348 623 I HN 0.174 nan 8.210 nan 0.000 0.525 624 G N 0.853 109.710 108.800 0.096 0.000 2.334 624 G HA2 0.347 4.307 3.960 -0.000 0.000 0.261 624 G HA3 0.347 4.307 3.960 -0.000 0.000 0.261 624 G C 1.157 176.142 174.900 0.142 0.000 1.257 624 G CA -0.007 45.165 45.100 0.120 0.000 0.935 624 G HN 0.645 nan 8.290 nan 0.000 0.480 625 V N 2.289 122.298 119.914 0.158 0.000 2.546 625 V HA -0.042 4.078 4.120 -0.000 0.000 0.254 625 V C 1.098 177.295 176.094 0.172 0.000 1.076 625 V CA 1.132 63.532 62.300 0.166 0.000 1.087 625 V CB -0.797 31.137 31.823 0.186 0.000 0.674 625 V HN 0.473 nan 8.190 nan 0.000 0.470 626 L N 2.217 123.565 121.223 0.209 0.000 2.272 626 L HA 0.516 4.856 4.340 -0.000 0.000 0.289 626 L C 0.174 177.121 176.870 0.128 0.000 1.032 626 L CA -0.094 54.843 54.840 0.162 0.000 0.810 626 L CB 0.779 42.928 42.059 0.149 0.000 1.205 626 L HN 0.406 nan 8.230 nan 0.000 0.422 627 D N 0.000 120.464 120.400 0.107 0.000 6.856 627 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 627 D CA 0.000 54.054 54.000 0.091 0.000 0.868 627 D CB 0.000 40.845 40.800 0.075 0.000 0.688 627 D HN 0.000 nan 8.370 nan 0.000 0.683