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 1l5u_1_A DATA FIRST_RESID 297 DATA SEQUENCE AKMAFTLADR VTEEMLADKA ALVVEVVEEN YHDAPIVGIA VVNEHGRFFL DATA SEQUENCE RPETALADPQ FVAWLGDETK KKSMFDSKRA AVALKWKGIE LCGVSFDLLL DATA SEQUENCE AAYLLDPAQG VDDVAAAAKM KQYEAVRPDE AVYGKGAKRA VPDEPVLAEH DATA SEQUENCE LVRKAAAIWE LERPFLDELR RNEQDRLLVE LEQPLSSILA EMEFAGVKVD DATA SEQUENCE TKRLEQMGKE LAEQLGTVEQ RIYELAGQEF NINSPKQLGV ILFEKLQLPV DATA SEQUENCE LKKTKTGYST SADVLEKLAP YHEIVENILH YRQLGKLQST YIEGLLKVVR DATA SEQUENCE PDTKKVHTIF NQALTQTGRL SSTEPNLQNI PIRLEEGRKI RQAFVPSESD DATA SEQUENCE WLIFAADYSQ IELRVLAHIA EDDNLMEAFR RDLDIHTKTA MDIFQVSEDE DATA SEQUENCE VTPNMRRQAK AVNFGIVYGI SDYGLAQNLN ISRKEAAEFI ERYFESFPGV DATA SEQUENCE KRYMENIVQE AKQKGYVTTL LHRRRYLPDI TSRNFNVRSF AERMAMNTPI DATA SEQUENCE QGSAADIIKK AMIDLNARLK EERLQAHLLL QVHDELILEA PKEEMERLCR DATA SEQUENCE LVPEVMEQAV TLRVPLKVDY HYGSTWYDAK 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 297 A HA 0.000 nan 4.320 nan 0.000 0.244 297 A C 0.000 177.587 177.584 0.005 0.000 1.274 297 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 297 A CB 0.000 18.994 19.000 -0.009 0.000 0.831 298 K N 0.280 120.684 120.400 0.008 0.000 2.494 298 K HA 0.487 4.805 4.320 -0.003 0.000 0.273 298 K C 0.076 176.701 176.600 0.042 0.000 0.970 298 K CA 1.099 57.401 56.287 0.026 0.000 0.963 298 K CB -0.173 32.334 32.500 0.012 0.000 0.913 298 K HN 0.836 nan 8.250 nan 0.000 0.502 299 M N 1.963 121.618 119.600 0.091 0.000 2.209 299 M HA 0.534 5.013 4.480 -0.003 0.000 0.355 299 M C 0.231 176.630 176.300 0.164 0.000 1.171 299 M CA -0.486 54.885 55.300 0.118 0.000 1.069 299 M CB 1.461 34.144 32.600 0.138 0.000 1.622 299 M HN 0.816 nan 8.290 nan 0.000 0.459 300 A N 4.949 127.816 122.820 0.079 0.000 2.388 300 A HA 0.683 5.001 4.320 -0.003 0.000 0.257 300 A C -0.888 176.756 177.584 0.101 0.000 1.095 300 A CA -0.225 51.808 52.037 -0.006 0.000 0.791 300 A CB -0.097 18.873 19.000 -0.050 0.000 1.029 300 A HN 0.919 nan 8.150 nan 0.000 0.489 301 F N -1.515 118.373 119.950 -0.104 0.000 2.799 301 F HA 0.569 5.093 4.527 -0.005 0.000 0.316 301 F C -0.699 175.028 175.800 -0.121 0.000 1.155 301 F CA -0.796 57.114 58.000 -0.150 0.000 0.916 301 F CB 0.750 39.691 39.000 -0.098 0.000 1.294 301 F HN 0.329 nan 8.300 nan 0.000 0.447 302 T N 3.106 117.695 114.554 0.058 0.000 2.744 302 T HA 0.414 4.762 4.350 -0.003 0.000 0.291 302 T C -0.443 174.451 174.700 0.323 0.000 0.957 302 T CA -0.327 61.809 62.100 0.061 0.000 1.002 302 T CB 1.080 69.978 68.868 0.050 0.000 0.919 302 T HN 0.758 nan 8.240 nan 0.000 0.468 303 L N 3.971 125.332 121.223 0.230 0.000 2.358 303 L HA 0.511 4.849 4.340 -0.003 0.000 0.274 303 L C 0.646 177.663 176.870 0.244 0.000 1.136 303 L CA -0.607 54.456 54.840 0.372 0.000 0.970 303 L CB -0.362 41.853 42.059 0.259 0.000 1.314 303 L HN 0.739 nan 8.230 nan 0.000 0.427 304 A N 2.574 125.539 122.820 0.242 0.000 2.462 304 A HA 0.125 4.443 4.320 -0.003 0.000 0.243 304 A C 0.566 178.193 177.584 0.071 0.000 1.076 304 A CA -0.260 51.855 52.037 0.131 0.000 0.773 304 A CB 0.233 19.296 19.000 0.104 0.000 1.010 304 A HN 0.725 nan 8.150 nan 0.000 0.493 305 D N 0.165 120.587 120.400 0.036 0.000 2.367 305 D HA 0.091 4.729 4.640 -0.003 0.000 0.207 305 D C 0.652 176.936 176.300 -0.027 0.000 1.034 305 D CA 0.684 54.691 54.000 0.012 0.000 0.861 305 D CB 0.301 41.111 40.800 0.016 0.000 0.943 305 D HN 0.760 nan 8.370 nan 0.000 0.515 306 R N -0.962 119.513 120.500 -0.041 0.000 2.710 306 R HA 0.511 4.849 4.340 -0.003 0.000 0.270 306 R C -1.226 175.012 176.300 -0.104 0.000 1.021 306 R CA -0.790 55.268 56.100 -0.071 0.000 0.889 306 R CB 1.140 31.411 30.300 -0.047 0.000 1.243 306 R HN -0.312 nan 8.270 nan 0.000 0.464 307 V N 1.779 121.614 119.914 -0.133 0.000 2.614 307 V HA 0.330 4.449 4.120 -0.003 0.000 0.291 307 V C 0.463 176.473 176.094 -0.140 0.000 1.049 307 V CA 0.172 62.371 62.300 -0.168 0.000 1.038 307 V CB 1.084 32.822 31.823 -0.143 0.000 0.980 307 V HN 0.975 nan 8.190 nan 0.000 0.481 308 T N 0.165 114.601 114.554 -0.197 0.000 2.930 308 T HA 0.459 4.807 4.350 -0.003 0.000 0.290 308 T C 0.708 175.272 174.700 -0.226 0.000 1.052 308 T CA -0.462 61.532 62.100 -0.178 0.000 1.017 308 T CB 2.042 70.814 68.868 -0.159 0.000 1.137 308 T HN 0.509 nan 8.240 nan 0.000 0.511 309 E N 1.088 121.182 120.200 -0.177 0.000 2.049 309 E HA -0.241 4.108 4.350 -0.003 0.000 0.198 309 E C 1.847 178.304 176.600 -0.240 0.000 1.007 309 E CA 2.429 58.724 56.400 -0.175 0.000 0.809 309 E CB -0.442 29.183 29.700 -0.126 0.000 0.749 309 E HN 0.904 nan 8.360 nan 0.000 0.450 310 E N -0.470 119.552 120.200 -0.295 0.000 2.401 310 E HA -0.182 4.166 4.350 -0.003 0.000 0.199 310 E C 1.761 178.157 176.600 -0.340 0.000 1.023 310 E CA 1.010 57.197 56.400 -0.354 0.000 0.859 310 E CB -0.330 29.107 29.700 -0.439 0.000 0.780 310 E HN 0.371 nan 8.360 nan 0.000 0.523 311 M N 0.530 119.781 119.600 -0.581 0.000 2.556 311 M HA 0.124 4.602 4.480 -0.003 0.000 0.245 311 M C 0.735 176.587 176.300 -0.747 0.000 1.128 311 M CA 0.590 55.404 55.300 -0.809 0.000 1.069 311 M CB 0.362 32.468 32.600 -0.822 0.000 1.469 311 M HN 0.126 nan 8.290 nan 0.000 0.494 312 L N -0.022 120.845 121.223 -0.593 0.000 3.094 312 L HA 0.459 4.797 4.340 -0.003 0.000 0.254 312 L C 0.632 177.398 176.870 -0.173 0.000 1.298 312 L CA -0.803 53.554 54.840 -0.803 0.000 1.050 312 L CB -0.416 41.332 42.059 -0.518 0.000 1.420 312 L HN 0.009 nan 8.230 nan 0.000 0.548 313 A N 0.475 123.297 122.820 0.004 0.000 2.386 313 A HA 0.127 4.446 4.320 -0.003 0.000 0.246 313 A C 0.850 178.654 177.584 0.366 0.000 1.089 313 A CA 0.085 52.244 52.037 0.205 0.000 0.790 313 A CB 0.204 19.308 19.000 0.173 0.000 1.042 313 A HN 0.545 nan 8.150 nan 0.000 0.497 314 D N -1.129 119.431 120.400 0.266 0.000 2.324 314 D HA 0.212 4.850 4.640 -0.003 0.000 0.235 314 D C 0.025 176.448 176.300 0.206 0.000 1.095 314 D CA 0.304 54.443 54.000 0.232 0.000 0.871 314 D CB -0.036 40.846 40.800 0.137 0.000 0.906 314 D HN 0.305 nan 8.370 nan 0.000 0.522 315 K N 0.080 120.642 120.400 0.270 0.000 2.588 315 K HA 0.697 5.015 4.320 -0.003 0.000 0.250 315 K C -1.915 174.931 176.600 0.410 0.000 0.972 315 K CA -0.466 55.999 56.287 0.297 0.000 0.821 315 K CB 1.771 34.431 32.500 0.267 0.000 1.249 315 K HN 0.045 nan 8.250 nan 0.000 0.442 316 A N 2.076 125.164 122.820 0.446 0.000 2.608 316 A HA 0.816 5.134 4.320 -0.003 0.000 0.292 316 A C -1.572 176.262 177.584 0.415 0.000 1.066 316 A CA -0.453 51.819 52.037 0.391 0.000 0.676 316 A CB 1.251 20.462 19.000 0.352 0.000 1.277 316 A HN 0.856 nan 8.150 nan 0.000 0.413 317 A N 0.421 123.452 122.820 0.352 0.000 2.289 317 A HA 0.670 4.988 4.320 -0.003 0.000 0.298 317 A C -0.693 177.032 177.584 0.236 0.000 1.208 317 A CA -0.254 51.983 52.037 0.332 0.000 0.845 317 A CB 0.350 19.562 19.000 0.353 0.000 1.125 317 A HN 1.910 nan 8.150 nan 0.000 0.517 318 L N 3.475 124.834 121.223 0.226 0.000 2.365 318 L HA 0.744 5.082 4.340 -0.003 0.000 0.273 318 L C -1.140 175.823 176.870 0.155 0.000 1.000 318 L CA -0.327 54.646 54.840 0.222 0.000 0.819 318 L CB 2.205 44.422 42.059 0.264 0.000 1.284 318 L HN 0.385 nan 8.230 nan 0.000 0.418 319 V N 5.608 125.603 119.914 0.136 0.000 2.444 319 V HA 0.508 4.626 4.120 -0.003 0.000 0.294 319 V C -0.744 175.407 176.094 0.094 0.000 1.022 319 V CA -0.551 61.806 62.300 0.095 0.000 0.850 319 V CB 1.892 33.750 31.823 0.058 0.000 0.992 319 V HN 0.516 nan 8.190 nan 0.000 0.426 320 V N 4.067 124.030 119.914 0.081 0.000 2.289 320 V HA 0.329 4.447 4.120 -0.003 0.000 0.272 320 V C 0.002 176.124 176.094 0.048 0.000 1.026 320 V CA -0.654 61.687 62.300 0.068 0.000 0.807 320 V CB 1.326 33.190 31.823 0.069 0.000 1.044 320 V HN 0.924 nan 8.190 nan 0.000 0.443 321 E N 3.290 123.523 120.200 0.056 0.000 2.299 321 E HA 0.337 4.685 4.350 -0.003 0.000 0.272 321 E C -0.760 175.852 176.600 0.021 0.000 1.043 321 E CA 0.207 56.641 56.400 0.056 0.000 0.895 321 E CB 1.111 30.875 29.700 0.107 0.000 1.011 321 E HN 0.416 nan 8.360 nan 0.000 0.432 322 V N 6.464 126.379 119.914 0.003 0.000 2.380 322 V HA 0.096 4.214 4.120 -0.003 0.000 0.286 322 V C 0.786 176.847 176.094 -0.054 0.000 1.015 322 V CA -0.547 61.746 62.300 -0.012 0.000 0.834 322 V CB 1.445 33.280 31.823 0.020 0.000 1.009 322 V HN 0.687 nan 8.190 nan 0.000 0.428 323 V N 2.289 122.115 119.914 -0.145 0.000 2.488 323 V HA 0.016 4.135 4.120 -0.003 0.000 0.246 323 V C 1.287 177.293 176.094 -0.146 0.000 1.046 323 V CA 0.957 63.093 62.300 -0.274 0.000 1.053 323 V CB -0.193 31.333 31.823 -0.495 0.000 0.679 323 V HN 0.795 nan 8.190 nan 0.000 0.458 324 E N 0.829 120.977 120.200 -0.087 0.000 2.465 324 E HA -0.053 4.295 4.350 -0.003 0.000 0.260 324 E C 1.163 177.748 176.600 -0.025 0.000 0.980 324 E CA 0.249 56.616 56.400 -0.056 0.000 0.927 324 E CB 0.715 30.384 29.700 -0.052 0.000 0.934 324 E HN 0.521 nan 8.360 nan 0.000 0.459 325 E N 1.905 122.087 120.200 -0.029 0.000 2.058 325 E HA -0.172 4.176 4.350 -0.003 0.000 0.194 325 E C 0.707 177.263 176.600 -0.073 0.000 0.997 325 E CA 0.708 57.099 56.400 -0.016 0.000 0.801 325 E CB 0.114 29.804 29.700 -0.017 0.000 0.746 325 E HN 0.278 nan 8.360 nan 0.000 0.450 326 N N 0.495 119.123 118.700 -0.120 0.000 2.415 326 N HA -0.038 4.701 4.740 -0.003 0.000 0.246 326 N C -0.170 175.206 175.510 -0.222 0.000 1.078 326 N CA -0.063 52.841 53.050 -0.243 0.000 0.942 326 N CB 0.471 38.871 38.487 -0.145 0.000 1.140 326 N HN 0.100 nan 8.380 nan 0.000 0.501 327 Y N 1.381 121.594 120.300 -0.145 0.000 2.529 327 Y HA 0.259 4.807 4.550 -0.003 0.000 0.290 327 Y C 0.317 176.074 175.900 -0.237 0.000 1.177 327 Y CA -0.471 57.527 58.100 -0.171 0.000 1.305 327 Y CB -0.849 37.528 38.460 -0.138 0.000 1.047 327 Y HN 0.370 nan 8.280 nan 0.000 0.522 328 H N 2.793 121.801 119.070 -0.103 0.000 2.975 328 H HA 0.023 4.578 4.556 -0.003 0.000 0.303 328 H C 0.333 175.114 175.328 -0.911 0.000 1.023 328 H CA 0.881 56.703 56.048 -0.376 0.000 1.473 328 H CB 0.432 30.034 29.762 -0.267 0.000 1.498 328 H HN 0.345 nan 8.280 nan 0.000 0.549 329 D N 0.875 120.435 120.400 -1.400 0.000 2.911 329 D HA -0.178 4.460 4.640 -0.003 0.000 0.227 329 D C -0.143 175.941 176.300 -0.360 0.000 1.164 329 D CA 0.890 54.339 54.000 -0.920 0.000 0.782 329 D CB -0.710 39.405 40.800 -1.143 0.000 1.094 329 D HN 0.749 nan 8.370 nan 0.000 0.425 330 A N -0.174 122.515 122.820 -0.218 0.000 2.264 330 A HA 0.705 5.023 4.320 -0.003 0.000 0.304 330 A C -2.168 175.389 177.584 -0.044 0.000 1.100 330 A CA -1.019 50.955 52.037 -0.104 0.000 0.839 330 A CB 0.690 19.655 19.000 -0.057 0.000 1.121 330 A HN 0.091 nan 8.150 nan 0.000 0.496 331 P HA 0.368 nan 4.420 nan 0.000 0.275 331 P C -0.977 176.321 177.300 -0.002 0.000 1.228 331 P CA 0.088 63.181 63.100 -0.012 0.000 0.786 331 P CB 0.486 32.177 31.700 -0.015 0.000 0.927 332 I N 2.560 123.136 120.570 0.010 0.000 2.328 332 I HA 0.063 4.231 4.170 -0.003 0.000 0.287 332 I C 1.412 177.539 176.117 0.017 0.000 1.012 332 I CA -0.525 60.783 61.300 0.014 0.000 1.195 332 I CB 1.500 39.513 38.000 0.022 0.000 1.350 332 I HN 0.195 nan 8.210 nan 0.000 0.464 333 V N 3.058 122.988 119.914 0.028 0.000 3.306 333 V HA 0.487 4.605 4.120 -0.003 0.000 0.264 333 V C 0.709 176.867 176.094 0.106 0.000 1.149 333 V CA 0.675 63.012 62.300 0.061 0.000 1.143 333 V CB -0.523 31.340 31.823 0.066 0.000 0.767 333 V HN 0.824 nan 8.190 nan 0.000 0.476 334 G N -0.624 108.216 108.800 0.067 0.000 2.387 334 G HA2 0.579 4.538 3.960 -0.003 0.000 0.294 334 G HA3 0.579 4.538 3.960 -0.003 0.000 0.294 334 G C -1.744 173.110 174.900 -0.076 0.000 1.509 334 G CA -0.704 44.405 45.100 0.016 0.000 0.806 334 G HN 0.201 nan 8.290 nan 0.000 0.546 335 I N 0.280 120.658 120.570 -0.320 0.000 2.647 335 I HA 0.718 4.887 4.170 -0.003 0.000 0.295 335 I C 0.082 176.073 176.117 -0.209 0.000 1.078 335 I CA -1.017 60.166 61.300 -0.195 0.000 1.048 335 I CB 2.364 40.239 38.000 -0.207 0.000 1.239 335 I HN 0.851 nan 8.210 nan 0.000 0.421 336 A N 5.373 128.187 122.820 -0.010 0.000 2.393 336 A HA 0.893 5.211 4.320 -0.003 0.000 0.306 336 A C -1.389 176.248 177.584 0.089 0.000 1.050 336 A CA -0.539 51.525 52.037 0.044 0.000 0.724 336 A CB 1.858 20.892 19.000 0.056 0.000 1.248 336 A HN 0.391 nan 8.150 nan 0.000 0.424 337 V N 2.082 122.067 119.914 0.118 0.000 2.638 337 V HA 0.574 4.692 4.120 -0.003 0.000 0.306 337 V C -0.793 175.387 176.094 0.143 0.000 1.052 337 V CA -0.517 61.865 62.300 0.136 0.000 0.885 337 V CB 1.794 33.657 31.823 0.066 0.000 0.999 337 V HN 0.723 nan 8.190 nan 0.000 0.424 338 V N 5.357 125.264 119.914 -0.011 0.000 2.483 338 V HA 0.655 4.773 4.120 -0.003 0.000 0.297 338 V C -0.459 175.257 176.094 -0.629 0.000 1.027 338 V CA -0.476 61.672 62.300 -0.253 0.000 0.855 338 V CB 1.834 33.467 31.823 -0.317 0.000 0.995 338 V HN 1.132 nan 8.190 nan 0.000 0.424 339 N N 2.262 120.583 118.700 -0.631 0.000 3.278 339 N HA 0.284 5.023 4.740 -0.003 0.000 0.307 339 N C 0.778 175.955 175.510 -0.556 0.000 1.551 339 N CA -0.400 52.169 53.050 -0.801 0.000 0.794 339 N CB 0.566 38.922 38.487 -0.219 0.000 1.770 339 N HN 0.515 nan 8.380 nan 0.000 0.612 340 E N -1.210 118.836 120.200 -0.257 0.000 2.209 340 E HA -0.260 4.088 4.350 -0.003 0.000 0.196 340 E C 0.323 176.831 176.600 -0.153 0.000 0.993 340 E CA 1.296 57.631 56.400 -0.109 0.000 0.819 340 E CB -0.512 29.105 29.700 -0.138 0.000 0.745 340 E HN 0.544 nan 8.360 nan 0.000 0.477 341 H N 0.641 119.755 119.070 0.073 0.000 2.535 341 H HA 0.313 4.867 4.556 -0.004 0.000 0.273 341 H C 1.230 176.612 175.328 0.090 0.000 0.983 341 H CA 0.970 57.090 56.048 0.121 0.000 1.238 341 H CB 0.935 30.808 29.762 0.185 0.000 1.412 341 H HN 0.398 nan 8.280 nan 0.000 0.562 342 G N 0.207 109.049 108.800 0.070 0.000 2.320 342 G HA2 0.067 4.026 3.960 -0.003 0.000 0.274 342 G HA3 0.067 4.026 3.960 -0.003 0.000 0.274 342 G C -1.377 173.271 174.900 -0.419 0.000 1.324 342 G CA -1.147 43.816 45.100 -0.228 0.000 0.957 342 G HN 0.123 nan 8.290 nan 0.000 0.481 343 R N -0.490 119.620 120.500 -0.650 0.000 2.494 343 R HA 0.701 5.039 4.340 -0.003 0.000 0.305 343 R C -1.426 174.497 176.300 -0.628 0.000 0.959 343 R CA -0.432 55.416 56.100 -0.419 0.000 0.864 343 R CB 1.444 31.662 30.300 -0.136 0.000 1.159 343 R HN 0.313 nan 8.270 nan 0.000 0.446 344 F N 1.841 121.817 119.950 0.042 0.000 2.576 344 F HA 0.484 5.012 4.527 0.002 0.000 0.313 344 F C -0.603 175.244 175.800 0.078 0.000 1.078 344 F CA -1.163 56.889 58.000 0.085 0.000 0.921 344 F CB 1.530 40.528 39.000 -0.005 0.000 1.232 344 F HN 0.347 nan 8.300 nan 0.000 0.459 345 F N 3.551 123.604 119.950 0.173 0.000 2.493 345 F HA 0.806 5.332 4.527 -0.003 0.000 0.329 345 F C -1.871 173.952 175.800 0.039 0.000 1.126 345 F CA -0.860 57.159 58.000 0.031 0.000 0.937 345 F CB 1.067 40.049 39.000 -0.030 0.000 1.146 345 F HN 0.335 nan 8.300 nan 0.000 0.442 346 L N 6.210 126.925 121.223 -0.848 0.000 2.365 346 L HA 0.575 4.913 4.340 -0.003 0.000 0.273 346 L C -0.338 176.002 176.870 -0.883 0.000 1.000 346 L CA -1.077 53.359 54.840 -0.673 0.000 0.819 346 L CB 2.201 43.920 42.059 -0.567 0.000 1.284 346 L HN 0.574 nan 8.230 nan 0.000 0.418 347 R N 3.348 123.563 120.500 -0.475 0.000 2.389 347 R HA 0.139 4.478 4.340 -0.003 0.000 0.295 347 R C -1.481 174.667 176.300 -0.253 0.000 1.075 347 R CA -1.455 54.480 56.100 -0.276 0.000 1.005 347 R CB 0.791 31.055 30.300 -0.061 0.000 0.987 347 R HN 0.397 nan 8.270 nan 0.000 0.452 348 P HA -0.201 nan 4.420 nan 0.000 0.216 348 P C 0.103 177.351 177.300 -0.087 0.000 1.150 348 P CA 1.480 64.503 63.100 -0.128 0.000 0.837 348 P CB 0.364 32.028 31.700 -0.059 0.000 0.786 349 E N -0.228 119.936 120.200 -0.060 0.000 2.085 349 E HA -0.123 4.225 4.350 -0.003 0.000 0.194 349 E C 2.161 178.729 176.600 -0.053 0.000 0.994 349 E CA 1.871 58.250 56.400 -0.035 0.000 0.801 349 E CB -1.487 28.202 29.700 -0.018 0.000 0.743 349 E HN 0.287 nan 8.360 nan 0.000 0.453 350 T N 0.482 114.982 114.554 -0.090 0.000 2.698 350 T HA -0.041 4.307 4.350 -0.003 0.000 0.260 350 T C 2.028 176.634 174.700 -0.155 0.000 1.044 350 T CA 1.227 63.262 62.100 -0.108 0.000 1.149 350 T CB -0.487 68.306 68.868 -0.124 0.000 0.864 350 T HN 0.291 nan 8.240 nan 0.000 0.419 351 A N 1.603 124.254 122.820 -0.282 0.000 1.865 351 A HA 0.006 4.324 4.320 -0.003 0.000 0.217 351 A C 2.195 179.712 177.584 -0.113 0.000 1.191 351 A CA 1.302 53.050 52.037 -0.482 0.000 0.623 351 A CB -1.009 17.417 19.000 -0.956 0.000 0.826 351 A HN 0.489 nan 8.150 nan 0.000 0.444 352 L N -1.095 120.118 121.223 -0.017 0.000 2.622 352 L HA -0.036 4.302 4.340 -0.003 0.000 0.233 352 L C 2.266 179.185 176.870 0.081 0.000 1.156 352 L CA 0.583 55.489 54.840 0.110 0.000 0.866 352 L CB -0.301 41.804 42.059 0.077 0.000 0.980 352 L HN 0.469 nan 8.230 nan 0.000 0.448 353 A N -1.409 121.435 122.820 0.039 0.000 2.390 353 A HA 0.038 4.357 4.320 -0.003 0.000 0.232 353 A C 0.312 177.920 177.584 0.040 0.000 1.233 353 A CA -0.246 51.810 52.037 0.033 0.000 0.907 353 A CB -0.079 18.927 19.000 0.010 0.000 0.967 353 A HN 0.257 nan 8.150 nan 0.000 0.512 354 D N 0.063 120.499 120.400 0.060 0.000 2.339 354 D HA 0.377 5.015 4.640 -0.003 0.000 0.241 354 D C -1.691 174.675 176.300 0.110 0.000 1.183 354 D CA -1.777 52.265 54.000 0.069 0.000 0.859 354 D CB 1.430 42.265 40.800 0.058 0.000 1.067 354 D HN -0.034 nan 8.370 nan 0.000 0.484 355 P HA -0.213 nan 4.420 nan 0.000 0.216 355 P C 0.917 178.262 177.300 0.075 0.000 1.157 355 P CA 1.368 64.504 63.100 0.061 0.000 0.880 355 P CB 0.234 31.957 31.700 0.037 0.000 0.791 356 Q N -2.195 117.652 119.800 0.079 0.000 2.079 356 Q HA -0.137 4.201 4.340 -0.003 0.000 0.200 356 Q C 1.964 178.045 176.000 0.134 0.000 0.974 356 Q CA 1.232 57.084 55.803 0.082 0.000 0.840 356 Q CB -0.934 27.833 28.738 0.048 0.000 0.898 356 Q HN 0.216 nan 8.270 nan 0.000 0.430 357 F N -0.046 119.916 119.950 0.019 0.000 2.146 357 F HA -0.162 4.363 4.527 -0.004 0.000 0.298 357 F C 1.835 177.727 175.800 0.154 0.000 1.096 357 F CA 0.878 58.913 58.000 0.059 0.000 1.275 357 F CB -0.177 38.815 39.000 -0.013 0.000 1.008 357 F HN -0.162 nan 8.300 nan 0.000 0.480 358 V N 0.347 120.340 119.914 0.132 0.000 2.407 358 V HA -0.294 3.824 4.120 -0.003 0.000 0.248 358 V C 2.683 178.762 176.094 -0.025 0.000 1.055 358 V CA 1.697 64.017 62.300 0.033 0.000 1.049 358 V CB -1.510 30.356 31.823 0.072 0.000 0.662 358 V HN 0.461 nan 8.190 nan 0.000 0.455 359 A N -0.919 121.912 122.820 0.018 0.000 1.898 359 A HA -0.268 4.050 4.320 -0.003 0.000 0.216 359 A C 1.950 179.534 177.584 -0.001 0.000 1.181 359 A CA 1.818 53.859 52.037 0.007 0.000 0.620 359 A CB -0.887 18.134 19.000 0.034 0.000 0.819 359 A HN 0.724 nan 8.150 nan 0.000 0.442 360 W N 0.773 121.962 121.300 -0.184 0.000 2.335 360 W HA -0.180 4.478 4.660 -0.003 0.000 0.311 360 W C 1.744 178.105 176.519 -0.263 0.000 1.213 360 W CA 1.942 59.157 57.345 -0.216 0.000 1.274 360 W CB -0.395 28.904 29.460 -0.268 0.000 1.148 360 W HN 0.253 nan 8.180 nan 0.000 0.498 361 L N 0.218 121.263 121.223 -0.298 0.000 2.042 361 L HA -0.146 4.193 4.340 -0.003 0.000 0.210 361 L C 2.479 179.129 176.870 -0.366 0.000 1.076 361 L CA 1.622 56.193 54.840 -0.449 0.000 0.749 361 L CB -1.393 40.482 42.059 -0.307 0.000 0.893 361 L HN 0.260 nan 8.230 nan 0.000 0.432 362 G N -1.878 106.778 108.800 -0.240 0.000 2.985 362 G HA2 -0.115 3.843 3.960 -0.003 0.000 0.209 362 G HA3 -0.115 3.843 3.960 -0.003 0.000 0.209 362 G C 0.196 174.986 174.900 -0.183 0.000 1.165 362 G CA -0.205 44.783 45.100 -0.187 0.000 0.776 362 G HN 0.152 nan 8.290 nan 0.000 0.541 363 D N 0.837 121.098 120.400 -0.231 0.000 2.339 363 D HA 0.074 4.713 4.640 -0.003 0.000 0.241 363 D C 1.140 177.309 176.300 -0.219 0.000 1.183 363 D CA -0.398 53.489 54.000 -0.188 0.000 0.859 363 D CB 0.904 41.608 40.800 -0.160 0.000 1.067 363 D HN 0.098 nan 8.370 nan 0.000 0.484 364 E N 2.193 122.302 120.200 -0.152 0.000 2.333 364 E HA -0.149 4.199 4.350 -0.003 0.000 0.198 364 E C 1.219 177.748 176.600 -0.118 0.000 1.007 364 E CA 0.954 57.273 56.400 -0.136 0.000 0.845 364 E CB 0.265 29.908 29.700 -0.095 0.000 0.766 364 E HN 0.616 nan 8.360 nan 0.000 0.507 365 T N -1.578 112.914 114.554 -0.102 0.000 3.088 365 T HA 0.061 4.409 4.350 -0.003 0.000 0.259 365 T C 0.747 175.404 174.700 -0.072 0.000 1.122 365 T CA -0.061 61.999 62.100 -0.066 0.000 1.095 365 T CB 0.169 69.016 68.868 -0.034 0.000 0.930 365 T HN -0.184 nan 8.240 nan 0.000 0.508 366 K N 2.873 123.179 120.400 -0.157 0.000 2.266 366 K HA 0.335 4.653 4.320 -0.003 0.000 0.274 366 K C -0.313 176.135 176.600 -0.254 0.000 1.090 366 K CA -0.330 55.838 56.287 -0.198 0.000 0.925 366 K CB 0.978 33.185 32.500 -0.488 0.000 1.225 366 K HN 0.207 nan 8.250 nan 0.000 0.458 367 K N 2.646 122.993 120.400 -0.089 0.000 2.322 367 K HA 0.226 4.544 4.320 -0.003 0.000 0.283 367 K C -0.044 176.547 176.600 -0.015 0.000 1.042 367 K CA -0.470 55.783 56.287 -0.057 0.000 0.958 367 K CB 0.708 33.215 32.500 0.012 0.000 0.984 367 K HN 0.256 nan 8.250 nan 0.000 0.473 368 K N 0.565 120.939 120.400 -0.043 0.000 2.318 368 K HA 0.393 4.712 4.320 -0.003 0.000 0.249 368 K C -0.693 175.973 176.600 0.110 0.000 0.942 368 K CA -0.479 55.829 56.287 0.035 0.000 0.808 368 K CB 1.958 34.409 32.500 -0.082 0.000 1.189 368 K HN 0.303 nan 8.250 nan 0.000 0.428 369 S N 2.489 118.311 115.700 0.204 0.000 2.449 369 S HA 0.650 5.119 4.470 -0.003 0.000 0.310 369 S C -0.668 174.063 174.600 0.218 0.000 1.096 369 S CA -0.799 57.570 58.200 0.282 0.000 1.095 369 S CB 0.459 63.876 63.200 0.361 0.000 1.007 369 S HN 0.466 nan 8.310 nan 0.000 0.474 370 M N 1.877 121.557 119.600 0.134 0.000 2.948 370 M HA 0.578 5.056 4.480 -0.003 0.000 0.278 370 M C -1.662 174.667 176.300 0.048 0.000 1.293 370 M CA -0.734 54.620 55.300 0.091 0.000 0.777 370 M CB 1.662 34.282 32.600 0.033 0.000 1.713 370 M HN 0.601 nan 8.290 nan 0.000 0.444 371 F N 1.661 121.566 119.950 -0.075 0.000 2.499 371 F HA 0.363 4.889 4.527 -0.002 0.000 0.333 371 F C -0.478 175.269 175.800 -0.088 0.000 1.138 371 F CA -0.124 57.813 58.000 -0.105 0.000 0.945 371 F CB 0.839 39.795 39.000 -0.074 0.000 1.181 371 F HN 0.714 nan 8.300 nan 0.000 0.435 372 D N 3.373 123.513 120.400 -0.434 0.000 2.848 372 D HA -0.211 4.427 4.640 -0.003 0.000 0.245 372 D C 0.978 177.182 176.300 -0.160 0.000 1.122 372 D CA 1.007 54.842 54.000 -0.275 0.000 0.769 372 D CB -0.732 40.009 40.800 -0.097 0.000 1.025 372 D HN 0.613 nan 8.370 nan 0.000 0.423 373 S N 0.490 116.085 115.700 -0.174 0.000 2.419 373 S HA -0.231 4.238 4.470 -0.003 0.000 0.233 373 S C 1.866 176.364 174.600 -0.170 0.000 1.016 373 S CA 1.399 59.514 58.200 -0.141 0.000 0.974 373 S CB 0.001 63.122 63.200 -0.132 0.000 0.786 373 S HN 0.546 nan 8.310 nan 0.000 0.492 374 K N 1.798 122.086 120.400 -0.185 0.000 2.057 374 K HA -0.109 4.209 4.320 -0.003 0.000 0.207 374 K C 2.513 178.865 176.600 -0.413 0.000 1.049 374 K CA 1.251 57.416 56.287 -0.204 0.000 0.931 374 K CB -0.246 32.184 32.500 -0.116 0.000 0.714 374 K HN 0.463 nan 8.250 nan 0.000 0.440 375 R N 0.147 120.337 120.500 -0.517 0.000 2.083 375 R HA -0.157 4.182 4.340 -0.003 0.000 0.237 375 R C 2.095 178.058 176.300 -0.563 0.000 1.137 375 R CA 1.644 57.196 56.100 -0.915 0.000 0.951 375 R CB -0.406 29.649 30.300 -0.408 0.000 0.851 375 R HN 0.285 nan 8.270 nan 0.000 0.434 376 A N 0.688 123.339 122.820 -0.281 0.000 1.873 376 A HA -0.020 4.299 4.320 -0.003 0.000 0.215 376 A C 2.411 179.903 177.584 -0.152 0.000 1.186 376 A CA 1.488 53.432 52.037 -0.155 0.000 0.616 376 A CB -0.848 18.103 19.000 -0.082 0.000 0.823 376 A HN 0.561 nan 8.150 nan 0.000 0.442 377 A N -0.513 122.201 122.820 -0.176 0.000 1.908 377 A HA -0.049 4.269 4.320 -0.003 0.000 0.218 377 A C 2.241 179.731 177.584 -0.157 0.000 1.181 377 A CA 1.987 53.930 52.037 -0.157 0.000 0.627 377 A CB -0.944 17.968 19.000 -0.148 0.000 0.818 377 A HN 0.401 nan 8.150 nan 0.000 0.445 378 V N -0.355 119.461 119.914 -0.163 0.000 2.379 378 V HA -0.181 3.937 4.120 -0.003 0.000 0.245 378 V C 3.043 179.230 176.094 0.154 0.000 1.044 378 V CA 1.764 64.061 62.300 -0.005 0.000 1.036 378 V CB -1.184 30.703 31.823 0.106 0.000 0.664 378 V HN 0.614 nan 8.190 nan 0.000 0.453 379 A N -0.264 122.587 122.820 0.053 0.000 1.940 379 A HA -0.159 4.159 4.320 -0.003 0.000 0.219 379 A C 2.200 179.855 177.584 0.118 0.000 1.176 379 A CA 1.751 53.868 52.037 0.135 0.000 0.631 379 A CB -0.497 18.520 19.000 0.029 0.000 0.814 379 A HN 0.519 nan 8.150 nan 0.000 0.446 380 L N -1.121 120.109 121.223 0.011 0.000 2.156 380 L HA -0.123 4.215 4.340 -0.003 0.000 0.208 380 L C 2.503 179.319 176.870 -0.089 0.000 1.095 380 L CA 1.245 56.073 54.840 -0.020 0.000 0.770 380 L CB -0.360 41.667 42.059 -0.053 0.000 0.914 380 L HN 0.331 nan 8.230 nan 0.000 0.439 381 K N -0.494 119.764 120.400 -0.238 0.000 2.063 381 K HA -0.209 4.109 4.320 -0.003 0.000 0.208 381 K C 1.879 178.168 176.600 -0.518 0.000 1.048 381 K CA 1.770 57.677 56.287 -0.634 0.000 0.928 381 K CB -0.244 31.481 32.500 -1.291 0.000 0.713 381 K HN 0.269 nan 8.250 nan 0.000 0.442 382 W N 1.256 122.455 121.300 -0.169 0.000 2.525 382 W HA -0.077 4.581 4.660 -0.003 0.000 0.259 382 W C 1.437 177.994 176.519 0.062 0.000 1.253 382 W CA 0.689 58.114 57.345 0.133 0.000 1.262 382 W CB 0.200 29.768 29.460 0.181 0.000 1.122 382 W HN -0.045 nan 8.180 nan 0.000 0.607 383 K N -0.404 120.108 120.400 0.187 0.000 2.372 383 K HA 0.242 4.560 4.320 -0.003 0.000 0.200 383 K C 1.275 177.907 176.600 0.054 0.000 1.022 383 K CA 0.513 56.872 56.287 0.120 0.000 1.125 383 K CB 0.384 32.939 32.500 0.092 0.000 0.855 383 K HN 0.036 nan 8.250 nan 0.000 0.524 384 G N 1.999 110.801 108.800 0.004 0.000 2.160 384 G HA2 -0.262 3.697 3.960 -0.003 0.000 0.251 384 G HA3 -0.262 3.697 3.960 -0.003 0.000 0.251 384 G C -0.032 174.840 174.900 -0.046 0.000 1.008 384 G CA 0.016 45.099 45.100 -0.028 0.000 0.724 384 G HN 0.272 nan 8.290 nan 0.000 0.514 385 I N 0.225 120.756 120.570 -0.064 0.000 2.406 385 I HA 0.367 4.535 4.170 -0.003 0.000 0.290 385 I C 0.291 176.344 176.117 -0.107 0.000 0.999 385 I CA -0.760 60.504 61.300 -0.060 0.000 1.124 385 I CB 1.875 39.865 38.000 -0.017 0.000 1.289 385 I HN 0.160 nan 8.210 nan 0.000 0.441 386 E N 5.814 125.949 120.200 -0.108 0.000 2.227 386 E HA 0.341 4.689 4.350 -0.003 0.000 0.282 386 E C -1.443 175.073 176.600 -0.139 0.000 1.015 386 E CA -0.829 55.493 56.400 -0.131 0.000 0.823 386 E CB 1.610 31.241 29.700 -0.116 0.000 1.081 386 E HN 0.352 nan 8.360 nan 0.000 0.396 387 L N 5.821 126.954 121.223 -0.150 0.000 2.287 387 L HA 0.416 4.754 4.340 -0.003 0.000 0.287 387 L C -1.468 175.298 176.870 -0.173 0.000 1.022 387 L CA -0.215 54.523 54.840 -0.169 0.000 0.814 387 L CB 0.707 42.677 42.059 -0.149 0.000 1.217 387 L HN 0.643 nan 8.230 nan 0.000 0.420 388 C N 2.310 121.485 119.300 -0.209 0.000 3.044 388 C HA 0.829 5.287 4.460 -0.003 0.000 0.315 388 C C 1.079 175.933 174.990 -0.226 0.000 1.320 388 C CA -0.080 58.826 59.018 -0.187 0.000 1.582 388 C CB 1.408 29.048 27.740 -0.167 0.000 2.039 388 C HN 1.099 nan 8.230 nan 0.000 0.466 389 G N 0.441 109.136 108.800 -0.174 0.000 2.143 389 G HA2 -0.178 3.780 3.960 -0.003 0.000 0.248 389 G HA3 -0.178 3.780 3.960 -0.003 0.000 0.248 389 G C -0.158 174.659 174.900 -0.138 0.000 0.991 389 G CA 0.294 45.292 45.100 -0.169 0.000 0.689 389 G HN 0.878 nan 8.290 nan 0.000 0.522 390 V N 1.975 121.819 119.914 -0.116 0.000 2.397 390 V HA 0.386 4.505 4.120 -0.003 0.000 0.262 390 V C 1.556 177.631 176.094 -0.031 0.000 1.047 390 V CA 0.905 63.160 62.300 -0.075 0.000 1.003 390 V CB 1.004 32.774 31.823 -0.088 0.000 1.037 390 V HN 0.804 nan 8.190 nan 0.000 0.480 391 S N 3.963 119.675 115.700 0.020 0.000 2.535 391 S HA 0.262 4.731 4.470 -0.003 0.000 0.214 391 S C -0.100 174.598 174.600 0.163 0.000 0.980 391 S CA -0.112 58.125 58.200 0.061 0.000 0.907 391 S CB 0.077 63.310 63.200 0.054 0.000 0.790 391 S HN 0.563 nan 8.310 nan 0.000 0.510 392 F N 1.607 121.540 119.950 -0.028 0.000 2.605 392 F HA 0.507 5.032 4.527 -0.003 0.000 0.320 392 F C -2.145 173.632 175.800 -0.038 0.000 1.159 392 F CA -1.023 56.962 58.000 -0.025 0.000 0.999 392 F CB 1.695 40.685 39.000 -0.016 0.000 1.258 392 F HN -0.031 nan 8.300 nan 0.000 0.464 393 D N 6.303 126.215 120.400 -0.813 0.000 2.462 393 D HA 0.155 4.793 4.640 -0.003 0.000 0.245 393 D C 0.640 176.334 176.300 -1.010 0.000 1.122 393 D CA -0.292 53.298 54.000 -0.683 0.000 0.864 393 D CB 1.710 42.266 40.800 -0.407 0.000 1.098 393 D HN 0.691 nan 8.370 nan 0.000 0.541 394 L N 5.221 125.904 121.223 -0.901 0.000 2.127 394 L HA -0.125 4.213 4.340 -0.003 0.000 0.211 394 L C 1.848 178.433 176.870 -0.474 0.000 1.089 394 L CA 1.541 56.001 54.840 -0.632 0.000 0.757 394 L CB -0.558 41.435 42.059 -0.109 0.000 0.899 394 L HN 0.529 nan 8.230 nan 0.000 0.434 395 L N -0.920 119.828 121.223 -0.792 0.000 2.017 395 L HA -0.177 4.161 4.340 -0.003 0.000 0.208 395 L C 2.260 178.923 176.870 -0.346 0.000 1.073 395 L CA 1.877 56.190 54.840 -0.879 0.000 0.745 395 L CB -0.671 40.566 42.059 -1.371 0.000 0.894 395 L HN 0.283 nan 8.230 nan 0.000 0.432 396 L N -0.516 120.509 121.223 -0.330 0.000 2.093 396 L HA -0.147 4.191 4.340 -0.003 0.000 0.208 396 L C 2.696 179.567 176.870 0.002 0.000 1.085 396 L CA 1.052 55.823 54.840 -0.115 0.000 0.755 396 L CB -1.013 40.956 42.059 -0.150 0.000 0.904 396 L HN 0.411 nan 8.230 nan 0.000 0.435 397 A N 0.276 123.033 122.820 -0.104 0.000 1.877 397 A HA -0.175 4.144 4.320 -0.003 0.000 0.216 397 A C 2.561 180.310 177.584 0.276 0.000 1.186 397 A CA 1.791 53.887 52.037 0.099 0.000 0.620 397 A CB -0.743 18.332 19.000 0.126 0.000 0.822 397 A HN 0.384 nan 8.150 nan 0.000 0.443 398 A N -1.515 121.469 122.820 0.272 0.000 1.902 398 A HA -0.132 4.187 4.320 -0.003 0.000 0.217 398 A C 2.149 179.901 177.584 0.280 0.000 1.181 398 A CA 1.771 54.054 52.037 0.411 0.000 0.623 398 A CB -0.872 18.347 19.000 0.365 0.000 0.818 398 A HN 0.762 nan 8.150 nan 0.000 0.443 399 Y N 0.628 120.978 120.300 0.083 0.000 2.165 399 Y HA -0.186 4.362 4.550 -0.004 0.000 0.286 399 Y C 1.911 177.851 175.900 0.067 0.000 1.155 399 Y CA 1.893 60.029 58.100 0.060 0.000 1.164 399 Y CB -0.355 38.109 38.460 0.008 0.000 0.978 399 Y HN 0.222 nan 8.280 nan 0.000 0.513 400 L N -0.753 120.467 121.223 -0.004 0.000 2.141 400 L HA -0.205 4.133 4.340 -0.003 0.000 0.209 400 L C 2.448 179.278 176.870 -0.066 0.000 1.094 400 L CA 0.891 55.665 54.840 -0.110 0.000 0.763 400 L CB -0.540 41.525 42.059 0.011 0.000 0.908 400 L HN 0.282 nan 8.230 nan 0.000 0.437 401 L N -0.881 120.366 121.223 0.039 0.000 2.056 401 L HA -0.084 4.255 4.340 -0.003 0.000 0.207 401 L C 0.339 177.265 176.870 0.094 0.000 1.078 401 L CA 0.975 55.845 54.840 0.051 0.000 0.749 401 L CB -0.003 42.094 42.059 0.064 0.000 0.901 401 L HN 0.251 nan 8.230 nan 0.000 0.433 402 D N -1.824 118.626 120.400 0.082 0.000 2.362 402 D HA 0.090 4.728 4.640 -0.003 0.000 0.232 402 D C -2.045 174.298 176.300 0.073 0.000 1.329 402 D CA -1.111 52.963 54.000 0.123 0.000 0.944 402 D CB 1.174 42.049 40.800 0.126 0.000 1.471 402 D HN -0.191 nan 8.370 nan 0.000 0.533 403 P HA -0.069 nan 4.420 nan 0.000 0.222 403 P C 1.134 178.508 177.300 0.123 0.000 1.147 403 P CA 0.529 63.637 63.100 0.012 0.000 0.790 403 P CB 0.331 31.912 31.700 -0.200 0.000 0.780 404 A N 0.002 122.882 122.820 0.100 0.000 2.067 404 A HA -0.149 4.169 4.320 -0.003 0.000 0.219 404 A C 2.255 179.900 177.584 0.100 0.000 1.158 404 A CA 1.054 53.149 52.037 0.097 0.000 0.661 404 A CB -0.914 18.139 19.000 0.088 0.000 0.801 404 A HN 0.063 nan 8.150 nan 0.000 0.452 405 Q N -0.964 118.902 119.800 0.110 0.000 2.291 405 Q HA -0.029 4.309 4.340 -0.003 0.000 0.206 405 Q C 1.423 177.500 176.000 0.127 0.000 0.976 405 Q CA 0.940 56.809 55.803 0.109 0.000 0.875 405 Q CB -0.715 28.095 28.738 0.120 0.000 0.927 405 Q HN 0.998 nan 8.270 nan 0.000 0.450 406 G N 0.682 109.573 108.800 0.152 0.000 2.221 406 G HA2 -0.269 3.689 3.960 -0.003 0.000 0.265 406 G HA3 -0.269 3.689 3.960 -0.003 0.000 0.265 406 G C 0.121 175.120 174.900 0.165 0.000 1.041 406 G CA 0.323 45.514 45.100 0.153 0.000 0.807 406 G HN 0.230 nan 8.290 nan 0.000 0.502 407 V N 1.055 121.087 119.914 0.198 0.000 2.475 407 V HA 0.253 4.371 4.120 -0.003 0.000 0.292 407 V C 1.179 177.432 176.094 0.266 0.000 1.003 407 V CA 1.527 63.967 62.300 0.233 0.000 1.120 407 V CB 0.819 32.810 31.823 0.280 0.000 0.937 407 V HN 0.693 nan 8.190 nan 0.000 0.476 408 D N 1.377 121.935 120.400 0.264 0.000 2.527 408 D HA 0.183 4.821 4.640 -0.003 0.000 0.224 408 D C -0.141 176.353 176.300 0.324 0.000 1.217 408 D CA -0.231 53.946 54.000 0.294 0.000 0.819 408 D CB 0.404 41.314 40.800 0.183 0.000 1.061 408 D HN 0.630 nan 8.370 nan 0.000 0.515 409 D N -1.469 119.032 120.400 0.168 0.000 2.599 409 D HA 0.091 4.729 4.640 -0.003 0.000 0.252 409 D C 0.894 176.776 176.300 -0.697 0.000 1.232 409 D CA -0.913 52.907 54.000 -0.298 0.000 0.819 409 D CB 1.299 42.046 40.800 -0.087 0.000 1.401 409 D HN -0.214 nan 8.370 nan 0.000 0.429 410 V N 0.779 120.058 119.914 -1.059 0.000 2.380 410 V HA -0.218 3.900 4.120 -0.003 0.000 0.251 410 V C 2.586 178.540 176.094 -0.233 0.000 1.063 410 V CA 2.826 64.695 62.300 -0.719 0.000 1.055 410 V CB -1.118 30.398 31.823 -0.512 0.000 0.657 410 V HN 0.796 nan 8.190 nan 0.000 0.455 411 A N -0.102 122.646 122.820 -0.121 0.000 1.902 411 A HA -0.134 4.184 4.320 -0.003 0.000 0.217 411 A C 2.430 180.048 177.584 0.057 0.000 1.181 411 A CA 2.140 54.187 52.037 0.016 0.000 0.623 411 A CB -0.746 18.280 19.000 0.043 0.000 0.818 411 A HN 0.590 nan 8.150 nan 0.000 0.443 412 A N -0.266 122.583 122.820 0.049 0.000 1.898 412 A HA 0.192 4.510 4.320 -0.003 0.000 0.216 412 A C 2.489 180.171 177.584 0.164 0.000 1.181 412 A CA 2.008 54.110 52.037 0.108 0.000 0.620 412 A CB -0.931 18.142 19.000 0.122 0.000 0.819 412 A HN 1.019 nan 8.150 nan 0.000 0.442 413 A N -0.147 122.779 122.820 0.177 0.000 1.898 413 A HA 0.216 4.534 4.320 -0.003 0.000 0.216 413 A C 2.491 180.265 177.584 0.317 0.000 1.181 413 A CA 1.894 54.096 52.037 0.275 0.000 0.620 413 A CB -0.992 18.125 19.000 0.196 0.000 0.819 413 A HN 1.040 nan 8.150 nan 0.000 0.442 414 A N -0.398 122.531 122.820 0.182 0.000 1.972 414 A HA -0.168 4.150 4.320 -0.003 0.000 0.219 414 A C 2.096 179.843 177.584 0.272 0.000 1.169 414 A CA 1.894 54.061 52.037 0.218 0.000 0.635 414 A CB -0.434 18.670 19.000 0.174 0.000 0.810 414 A HN 0.515 nan 8.150 nan 0.000 0.446 415 K N -0.967 119.559 120.400 0.210 0.000 2.209 415 K HA -0.068 4.250 4.320 -0.003 0.000 0.204 415 K C 1.915 178.605 176.600 0.149 0.000 1.048 415 K CA 1.424 57.809 56.287 0.164 0.000 0.940 415 K CB -0.241 32.331 32.500 0.121 0.000 0.729 415 K HN 0.552 nan 8.250 nan 0.000 0.451 416 M N 0.288 119.997 119.600 0.182 0.000 2.267 416 M HA -0.152 4.326 4.480 -0.003 0.000 0.263 416 M C 0.794 177.130 176.300 0.061 0.000 1.063 416 M CA 1.397 56.767 55.300 0.116 0.000 1.090 416 M CB 0.224 32.914 32.600 0.151 0.000 1.392 416 M HN -0.152 nan 8.290 nan 0.000 0.422 417 K N 0.437 120.919 120.400 0.136 0.000 2.726 417 K HA 0.150 4.468 4.320 -0.003 0.000 0.209 417 K C -0.078 176.609 176.600 0.145 0.000 1.082 417 K CA 0.045 56.396 56.287 0.106 0.000 1.081 417 K CB 0.633 33.223 32.500 0.150 0.000 0.830 417 K HN 0.205 nan 8.250 nan 0.000 0.470 418 Q N -0.794 119.081 119.800 0.125 0.000 2.461 418 Q HA -0.271 4.067 4.340 -0.003 0.000 0.273 418 Q C -0.649 175.435 176.000 0.140 0.000 1.163 418 Q CA 0.975 56.840 55.803 0.104 0.000 0.929 418 Q CB -2.899 25.875 28.738 0.060 0.000 1.334 418 Q HN 0.519 nan 8.270 nan 0.000 0.499 419 Y N -0.060 120.283 120.300 0.073 0.000 2.342 419 Y HA 0.328 4.879 4.550 0.003 0.000 0.338 419 Y C 0.748 176.686 175.900 0.063 0.000 0.965 419 Y CA -0.311 57.833 58.100 0.073 0.000 1.159 419 Y CB 0.918 39.437 38.460 0.098 0.000 1.157 419 Y HN 0.028 nan 8.280 nan 0.000 0.486 420 E N 3.774 123.925 120.200 -0.081 0.000 2.812 420 E HA 0.244 4.592 4.350 -0.003 0.000 0.211 420 E C 0.158 176.722 176.600 -0.059 0.000 0.986 420 E CA -0.162 56.243 56.400 0.008 0.000 1.119 420 E CB 0.828 30.528 29.700 0.001 0.000 1.046 420 E HN 0.655 nan 8.360 nan 0.000 0.474 421 A N 1.308 123.986 122.820 -0.237 0.000 2.840 421 A HA 0.311 4.629 4.320 -0.003 0.000 0.269 421 A C -0.058 177.598 177.584 0.119 0.000 1.439 421 A CA 0.005 51.966 52.037 -0.128 0.000 1.083 421 A CB 0.070 18.881 19.000 -0.315 0.000 1.019 421 A HN 0.111 nan 8.150 nan 0.000 0.607 422 V N -0.385 119.619 119.914 0.150 0.000 2.924 422 V HA 0.446 4.565 4.120 -0.003 0.000 0.300 422 V C -0.964 175.203 176.094 0.122 0.000 1.227 422 V CA -0.973 61.424 62.300 0.162 0.000 0.954 422 V CB 1.956 33.893 31.823 0.190 0.000 1.055 422 V HN 0.668 nan 8.190 nan 0.000 0.429 423 R N 5.159 125.737 120.500 0.131 0.000 2.500 423 R HA 0.554 4.892 4.340 -0.003 0.000 0.275 423 R C -2.561 173.786 176.300 0.078 0.000 1.051 423 R CA -1.629 54.503 56.100 0.052 0.000 1.088 423 R CB 0.956 31.217 30.300 -0.064 0.000 1.063 423 R HN 0.493 nan 8.270 nan 0.000 0.511 424 P HA 0.018 nan 4.420 nan 0.000 0.275 424 P C -0.289 176.998 177.300 -0.022 0.000 1.228 424 P CA -0.149 62.965 63.100 0.023 0.000 0.786 424 P CB 0.653 32.361 31.700 0.013 0.000 0.927 425 D N 1.447 121.886 120.400 0.066 0.000 2.123 425 D HA -0.204 4.434 4.640 -0.003 0.000 0.196 425 D C 1.557 177.873 176.300 0.027 0.000 0.992 425 D CA 1.434 55.497 54.000 0.104 0.000 0.833 425 D CB -0.168 40.820 40.800 0.313 0.000 0.954 425 D HN 0.601 nan 8.370 nan 0.000 0.455 426 E N 0.409 120.641 120.200 0.053 0.000 2.118 426 E HA -0.176 4.172 4.350 -0.003 0.000 0.195 426 E C 1.962 178.544 176.600 -0.030 0.000 0.992 426 E CA 1.050 57.477 56.400 0.045 0.000 0.804 426 E CB 0.020 29.747 29.700 0.045 0.000 0.741 426 E HN 0.190 nan 8.360 nan 0.000 0.458 427 A N 0.162 122.931 122.820 -0.084 0.000 1.972 427 A HA -0.110 4.208 4.320 -0.003 0.000 0.219 427 A C 2.268 179.727 177.584 -0.209 0.000 1.169 427 A CA 1.309 53.275 52.037 -0.118 0.000 0.635 427 A CB -0.224 18.709 19.000 -0.111 0.000 0.810 427 A HN 0.219 nan 8.150 nan 0.000 0.446 428 V N -2.130 117.552 119.914 -0.387 0.000 2.426 428 V HA -0.138 3.980 4.120 -0.003 0.000 0.242 428 V C 1.998 177.812 176.094 -0.467 0.000 1.036 428 V CA 1.359 63.302 62.300 -0.594 0.000 1.044 428 V CB -0.885 30.213 31.823 -1.208 0.000 0.688 428 V HN 0.691 nan 8.190 nan 0.000 0.462 429 Y N 0.536 120.780 120.300 -0.094 0.000 2.482 429 Y HA 0.498 5.047 4.550 -0.001 0.000 0.270 429 Y C 1.615 177.501 175.900 -0.024 0.000 1.152 429 Y CA 0.310 58.387 58.100 -0.038 0.000 1.292 429 Y CB -0.012 38.444 38.460 -0.007 0.000 1.070 429 Y HN 0.364 nan 8.280 nan 0.000 0.528 430 G N 1.918 110.762 108.800 0.073 0.000 2.752 430 G HA2 -0.261 3.697 3.960 -0.003 0.000 0.234 430 G HA3 -0.261 3.697 3.960 -0.003 0.000 0.234 430 G C -0.730 174.213 174.900 0.071 0.000 1.367 430 G CA -0.168 44.962 45.100 0.051 0.000 0.879 430 G HN 0.380 nan 8.290 nan 0.000 0.563 431 K N -0.668 119.761 120.400 0.048 0.000 2.469 431 K HA 0.751 5.070 4.320 -0.003 0.000 0.254 431 K C 0.849 177.469 176.600 0.032 0.000 0.939 431 K CA -0.005 56.309 56.287 0.045 0.000 0.812 431 K CB 1.757 34.281 32.500 0.039 0.000 1.301 431 K HN 2.598 nan 8.250 nan 0.000 0.433 432 G N 1.393 110.210 108.800 0.028 0.000 2.574 432 G HA2 -0.427 3.531 3.960 -0.003 0.000 0.286 432 G HA3 -0.427 3.531 3.960 -0.003 0.000 0.286 432 G C 0.971 175.881 174.900 0.016 0.000 1.212 432 G CA 0.988 46.099 45.100 0.019 0.000 0.979 432 G HN 1.135 nan 8.290 nan 0.000 0.557 433 A N -0.503 122.325 122.820 0.013 0.000 2.032 433 A HA -0.026 4.292 4.320 -0.003 0.000 0.221 433 A C 2.152 179.744 177.584 0.014 0.000 1.165 433 A CA 2.520 54.564 52.037 0.011 0.000 0.645 433 A CB -0.389 18.616 19.000 0.009 0.000 0.807 433 A HN 0.672 nan 8.150 nan 0.000 0.453 434 K N -0.778 119.633 120.400 0.018 0.000 2.444 434 K HA 0.056 4.374 4.320 -0.003 0.000 0.193 434 K C 0.881 177.500 176.600 0.032 0.000 1.024 434 K CA -0.269 56.031 56.287 0.021 0.000 1.077 434 K CB 0.094 32.604 32.500 0.018 0.000 0.833 434 K HN 0.410 nan 8.250 nan 0.000 0.517 435 R N 1.346 121.868 120.500 0.036 0.000 2.623 435 R HA 0.216 4.555 4.340 -0.003 0.000 0.271 435 R C -0.963 175.368 176.300 0.052 0.000 1.043 435 R CA 0.257 56.389 56.100 0.053 0.000 1.083 435 R CB 0.457 30.781 30.300 0.039 0.000 0.974 435 R HN 0.097 nan 8.270 nan 0.000 0.436 436 A N 3.050 125.923 122.820 0.088 0.000 2.586 436 A HA 0.266 4.584 4.320 -0.003 0.000 0.296 436 A C -1.425 176.255 177.584 0.159 0.000 1.040 436 A CA -0.790 51.296 52.037 0.082 0.000 0.701 436 A CB 1.178 20.213 19.000 0.058 0.000 1.277 436 A HN 0.446 nan 8.150 nan 0.000 0.413 437 V N 4.055 124.046 119.914 0.128 0.000 2.455 437 V HA 0.383 4.501 4.120 -0.003 0.000 0.273 437 V C -1.213 174.974 176.094 0.153 0.000 1.045 437 V CA -0.512 61.909 62.300 0.201 0.000 0.976 437 V CB 0.535 32.428 31.823 0.117 0.000 0.993 437 V HN 0.871 nan 8.190 nan 0.000 0.475 438 P HA 0.208 nan 4.420 nan 0.000 0.275 438 P C -0.491 176.840 177.300 0.051 0.000 1.266 438 P CA -0.592 62.544 63.100 0.061 0.000 0.793 438 P CB 0.694 32.393 31.700 -0.001 0.000 1.074 439 D N 0.023 120.435 120.400 0.021 0.000 2.378 439 D HA -0.044 4.594 4.640 -0.003 0.000 0.238 439 D C 1.327 177.627 176.300 -0.001 0.000 1.180 439 D CA 0.039 54.048 54.000 0.015 0.000 0.895 439 D CB 0.624 41.426 40.800 0.003 0.000 1.192 439 D HN 0.510 nan 8.370 nan 0.000 0.438 440 E N 0.934 121.133 120.200 -0.002 0.000 2.086 440 E HA -0.205 4.144 4.350 -0.003 0.000 0.200 440 E C -0.920 175.599 176.600 -0.134 0.000 1.012 440 E CA 1.404 57.772 56.400 -0.053 0.000 0.812 440 E CB -0.381 29.313 29.700 -0.010 0.000 0.743 440 E HN 0.273 nan 8.360 nan 0.000 0.453 441 P HA -0.156 nan 4.420 nan 0.000 0.215 441 P C 1.445 178.717 177.300 -0.047 0.000 1.157 441 P CA 1.149 64.221 63.100 -0.047 0.000 0.868 441 P CB 0.064 31.750 31.700 -0.024 0.000 0.788 442 V N -0.579 119.305 119.914 -0.050 0.000 2.307 442 V HA -0.192 3.926 4.120 -0.003 0.000 0.245 442 V C 2.385 178.438 176.094 -0.068 0.000 1.045 442 V CA 1.453 63.720 62.300 -0.054 0.000 1.024 442 V CB -1.245 30.542 31.823 -0.060 0.000 0.651 442 V HN 0.044 nan 8.190 nan 0.000 0.449 443 L N 1.191 122.375 121.223 -0.065 0.000 1.989 443 L HA -0.107 4.231 4.340 -0.003 0.000 0.211 443 L C 2.485 179.279 176.870 -0.127 0.000 1.071 443 L CA 2.522 57.354 54.840 -0.015 0.000 0.749 443 L CB -1.083 41.013 42.059 0.061 0.000 0.890 443 L HN 0.210 nan 8.230 nan 0.000 0.431 444 A N -0.627 121.921 122.820 -0.454 0.000 1.892 444 A HA -0.324 3.994 4.320 -0.003 0.000 0.218 444 A C 2.345 179.563 177.584 -0.611 0.000 1.188 444 A CA 2.084 53.578 52.037 -0.905 0.000 0.631 444 A CB -0.905 17.372 19.000 -1.204 0.000 0.822 444 A HN 0.688 nan 8.150 nan 0.000 0.447 445 E N -1.423 118.587 120.200 -0.316 0.000 2.106 445 E HA -0.279 4.069 4.350 -0.003 0.000 0.192 445 E C 1.905 178.437 176.600 -0.113 0.000 0.984 445 E CA 1.381 57.662 56.400 -0.198 0.000 0.806 445 E CB -0.267 29.480 29.700 0.079 0.000 0.750 445 E HN 0.773 nan 8.360 nan 0.000 0.458 446 H N 0.717 119.694 119.070 -0.155 0.000 2.321 446 H HA -0.071 4.483 4.556 -0.004 0.000 0.300 446 H C 1.959 177.241 175.328 -0.077 0.000 1.087 446 H CA 2.005 57.985 56.048 -0.114 0.000 1.319 446 H CB -0.306 29.365 29.762 -0.152 0.000 1.379 446 H HN 0.175 nan 8.280 nan 0.000 0.501 447 L N -0.609 120.527 121.223 -0.145 0.000 2.083 447 L HA -0.135 4.203 4.340 -0.003 0.000 0.209 447 L C 2.535 179.322 176.870 -0.138 0.000 1.083 447 L CA 1.026 55.788 54.840 -0.131 0.000 0.752 447 L CB -0.486 41.627 42.059 0.089 0.000 0.899 447 L HN 0.211 nan 8.230 nan 0.000 0.433 448 V N -0.182 119.603 119.914 -0.214 0.000 2.453 448 V HA -0.211 3.907 4.120 -0.003 0.000 0.247 448 V C 2.607 178.634 176.094 -0.112 0.000 1.048 448 V CA 1.509 63.676 62.300 -0.222 0.000 1.049 448 V CB -0.512 31.005 31.823 -0.511 0.000 0.672 448 V HN 0.392 nan 8.190 nan 0.000 0.457 449 R N -0.174 120.270 120.500 -0.095 0.000 2.115 449 R HA -0.107 4.231 4.340 -0.003 0.000 0.230 449 R C 2.386 178.677 176.300 -0.016 0.000 1.111 449 R CA 1.133 57.234 56.100 0.001 0.000 0.976 449 R CB -0.178 30.149 30.300 0.046 0.000 0.870 449 R HN 0.488 nan 8.270 nan 0.000 0.445 450 K N 0.016 120.339 120.400 -0.129 0.000 2.062 450 K HA -0.027 4.291 4.320 -0.003 0.000 0.205 450 K C 2.123 178.690 176.600 -0.055 0.000 1.051 450 K CA 1.199 57.400 56.287 -0.143 0.000 0.941 450 K CB -0.069 32.270 32.500 -0.268 0.000 0.719 450 K HN 0.108 nan 8.250 nan 0.000 0.440 451 A N 1.675 124.479 122.820 -0.027 0.000 1.933 451 A HA -0.104 4.214 4.320 -0.003 0.000 0.218 451 A C 2.374 180.007 177.584 0.081 0.000 1.175 451 A CA 1.818 53.878 52.037 0.040 0.000 0.628 451 A CB -0.557 18.460 19.000 0.029 0.000 0.814 451 A HN 0.326 nan 8.150 nan 0.000 0.444 452 A N -0.138 122.717 122.820 0.058 0.000 1.902 452 A HA 0.183 4.501 4.320 -0.003 0.000 0.217 452 A C 2.496 180.144 177.584 0.107 0.000 1.181 452 A CA 2.002 54.112 52.037 0.123 0.000 0.623 452 A CB -0.965 18.114 19.000 0.130 0.000 0.818 452 A HN 1.007 nan 8.150 nan 0.000 0.443 453 A N 0.017 122.816 122.820 -0.034 0.000 1.877 453 A HA -0.078 4.240 4.320 -0.003 0.000 0.216 453 A C 2.117 179.578 177.584 -0.205 0.000 1.186 453 A CA 1.513 53.325 52.037 -0.374 0.000 0.620 453 A CB -0.629 18.169 19.000 -0.336 0.000 0.822 453 A HN 0.484 nan 8.150 nan 0.000 0.443 454 I N -1.634 118.922 120.570 -0.023 0.000 2.163 454 I HA -0.302 3.866 4.170 -0.003 0.000 0.243 454 I C 2.534 178.736 176.117 0.143 0.000 1.085 454 I CA 1.552 62.904 61.300 0.087 0.000 1.347 454 I CB -0.348 37.751 38.000 0.165 0.000 1.044 454 I HN 0.723 nan 8.210 nan 0.000 0.408 455 W N 2.063 123.350 121.300 -0.021 0.000 2.338 455 W HA -0.289 4.367 4.660 -0.008 0.000 0.304 455 W C 2.380 178.873 176.519 -0.044 0.000 1.212 455 W CA 2.087 59.425 57.345 -0.012 0.000 1.264 455 W CB -0.006 29.465 29.460 0.018 0.000 1.142 455 W HN 0.174 nan 8.180 nan 0.000 0.512 456 E N 0.576 120.800 120.200 0.040 0.000 2.112 456 E HA -0.138 4.210 4.350 -0.003 0.000 0.190 456 E C 2.199 178.736 176.600 -0.104 0.000 0.979 456 E CA 1.423 57.786 56.400 -0.063 0.000 0.814 456 E CB -0.813 28.905 29.700 0.029 0.000 0.762 456 E HN 0.334 nan 8.360 nan 0.000 0.460 457 L N 0.473 121.632 121.223 -0.107 0.000 2.418 457 L HA 0.095 4.433 4.340 -0.003 0.000 0.218 457 L C 2.397 179.272 176.870 0.008 0.000 1.125 457 L CA 0.648 55.496 54.840 0.013 0.000 0.835 457 L CB -0.324 41.734 42.059 -0.001 0.000 0.953 457 L HN 0.239 nan 8.230 nan 0.000 0.454 458 E N 1.271 121.322 120.200 -0.248 0.000 2.049 458 E HA -0.323 4.025 4.350 -0.003 0.000 0.198 458 E C 2.316 178.630 176.600 -0.478 0.000 1.007 458 E CA 1.711 57.671 56.400 -0.734 0.000 0.809 458 E CB 0.017 29.205 29.700 -0.853 0.000 0.749 458 E HN 0.348 nan 8.360 nan 0.000 0.450 459 R N 0.127 120.446 120.500 -0.302 0.000 2.080 459 R HA -0.107 4.231 4.340 -0.003 0.000 0.236 459 R C -0.671 175.583 176.300 -0.077 0.000 1.137 459 R CA 2.009 57.993 56.100 -0.192 0.000 0.943 459 R CB -0.901 29.294 30.300 -0.175 0.000 0.846 459 R HN 0.244 nan 8.270 nan 0.000 0.431 460 P HA -0.108 nan 4.420 nan 0.000 0.217 460 P C 0.713 178.019 177.300 0.009 0.000 1.150 460 P CA 1.259 64.365 63.100 0.010 0.000 0.832 460 P CB -0.066 31.663 31.700 0.049 0.000 0.787 461 F N -1.006 118.936 119.950 -0.013 0.000 2.163 461 F HA -0.068 4.456 4.527 -0.005 0.000 0.297 461 F C 2.237 178.078 175.800 0.067 0.000 1.094 461 F CA 1.212 59.259 58.000 0.079 0.000 1.290 461 F CB -1.172 37.977 39.000 0.249 0.000 1.017 461 F HN -0.221 nan 8.300 nan 0.000 0.483 462 L N -0.506 120.813 121.223 0.161 0.000 2.083 462 L HA -0.220 4.118 4.340 -0.003 0.000 0.209 462 L C 1.988 178.879 176.870 0.034 0.000 1.083 462 L CA 1.126 56.019 54.840 0.088 0.000 0.752 462 L CB -0.620 41.418 42.059 -0.034 0.000 0.899 462 L HN 0.058 nan 8.230 nan 0.000 0.433 463 D N -0.226 120.172 120.400 -0.003 0.000 2.117 463 D HA -0.215 4.423 4.640 -0.003 0.000 0.198 463 D C 2.043 178.329 176.300 -0.024 0.000 0.982 463 D CA 1.134 55.121 54.000 -0.021 0.000 0.828 463 D CB 0.034 40.812 40.800 -0.036 0.000 0.967 463 D HN 0.349 nan 8.370 nan 0.000 0.464 464 E N 0.185 120.359 120.200 -0.043 0.000 2.106 464 E HA -0.109 4.239 4.350 -0.003 0.000 0.192 464 E C 2.271 178.853 176.600 -0.030 0.000 0.984 464 E CA 0.367 56.730 56.400 -0.062 0.000 0.806 464 E CB -0.049 29.572 29.700 -0.132 0.000 0.750 464 E HN 0.192 nan 8.360 nan 0.000 0.458 465 L N 0.349 121.579 121.223 0.012 0.000 2.042 465 L HA -0.195 4.143 4.340 -0.003 0.000 0.210 465 L C 2.852 179.732 176.870 0.018 0.000 1.076 465 L CA 1.286 56.147 54.840 0.035 0.000 0.749 465 L CB -0.335 41.783 42.059 0.099 0.000 0.893 465 L HN 0.109 nan 8.230 nan 0.000 0.432 466 R N -0.388 120.122 120.500 0.016 0.000 2.073 466 R HA -0.145 4.193 4.340 -0.003 0.000 0.234 466 R C 2.463 178.757 176.300 -0.010 0.000 1.134 466 R CA 1.361 57.465 56.100 0.008 0.000 0.952 466 R CB -0.217 30.086 30.300 0.004 0.000 0.850 466 R HN 0.331 nan 8.270 nan 0.000 0.433 467 R N 0.140 120.629 120.500 -0.019 0.000 2.105 467 R HA -0.083 4.255 4.340 -0.003 0.000 0.239 467 R C 1.502 177.779 176.300 -0.040 0.000 1.135 467 R CA 1.244 57.328 56.100 -0.026 0.000 0.967 467 R CB -0.251 30.032 30.300 -0.029 0.000 0.861 467 R HN 0.199 nan 8.270 nan 0.000 0.442 468 N N 0.796 119.466 118.700 -0.050 0.000 2.521 468 N HA -0.054 4.685 4.740 -0.003 0.000 0.188 468 N C -0.491 174.964 175.510 -0.092 0.000 1.146 468 N CA 0.414 53.414 53.050 -0.085 0.000 0.893 468 N CB 0.156 38.585 38.487 -0.097 0.000 0.975 468 N HN 0.187 nan 8.380 nan 0.000 0.451 469 E N -0.641 119.525 120.200 -0.057 0.000 2.389 469 E HA -0.270 4.079 4.350 -0.003 0.000 0.243 469 E C -0.216 176.407 176.600 0.038 0.000 1.154 469 E CA 0.266 56.641 56.400 -0.042 0.000 0.723 469 E CB -1.424 28.179 29.700 -0.163 0.000 1.261 469 E HN 0.532 nan 8.360 nan 0.000 0.390 470 Q N -0.676 119.149 119.800 0.041 0.000 2.171 470 Q HA -0.009 4.329 4.340 -0.003 0.000 0.218 470 Q C 1.342 177.385 176.000 0.071 0.000 0.822 470 Q CA 0.260 56.105 55.803 0.071 0.000 0.987 470 Q CB 0.511 29.270 28.738 0.035 0.000 1.144 470 Q HN 0.387 nan 8.270 nan 0.000 0.494 471 D N 1.126 121.566 120.400 0.066 0.000 2.117 471 D HA -0.213 4.425 4.640 -0.003 0.000 0.197 471 D C 1.520 177.858 176.300 0.064 0.000 0.987 471 D CA 0.946 54.988 54.000 0.070 0.000 0.829 471 D CB -0.073 40.761 40.800 0.056 0.000 0.961 471 D HN 0.173 nan 8.370 nan 0.000 0.460 472 R N -0.244 120.292 120.500 0.060 0.000 2.115 472 R HA 0.013 4.351 4.340 -0.003 0.000 0.226 472 R C 2.474 178.796 176.300 0.037 0.000 1.100 472 R CA 0.326 56.453 56.100 0.044 0.000 0.980 472 R CB -0.346 29.978 30.300 0.040 0.000 0.875 472 R HN 0.148 nan 8.270 nan 0.000 0.445 473 L N 1.034 122.285 121.223 0.046 0.000 2.083 473 L HA -0.146 4.193 4.340 -0.003 0.000 0.209 473 L C 1.957 178.849 176.870 0.036 0.000 1.083 473 L CA 1.499 56.359 54.840 0.034 0.000 0.752 473 L CB -0.376 41.710 42.059 0.045 0.000 0.899 473 L HN 0.130 nan 8.230 nan 0.000 0.433 474 L N -1.665 119.588 121.223 0.049 0.000 2.049 474 L HA -0.054 4.284 4.340 -0.003 0.000 0.203 474 L C 2.261 179.149 176.870 0.031 0.000 1.074 474 L CA 1.700 56.568 54.840 0.046 0.000 0.749 474 L CB -0.590 41.514 42.059 0.076 0.000 0.907 474 L HN 0.045 nan 8.230 nan 0.000 0.439 475 V N -0.224 119.716 119.914 0.043 0.000 2.427 475 V HA -0.182 3.936 4.120 -0.003 0.000 0.248 475 V C 2.136 178.239 176.094 0.013 0.000 1.051 475 V CA 1.998 64.318 62.300 0.033 0.000 1.048 475 V CB -0.662 31.188 31.823 0.044 0.000 0.666 475 V HN 0.521 nan 8.190 nan 0.000 0.456 476 E N -1.115 119.092 120.200 0.011 0.000 2.460 476 E HA 0.147 4.496 4.350 -0.003 0.000 0.200 476 E C 1.542 178.139 176.600 -0.006 0.000 1.011 476 E CA 0.135 56.535 56.400 0.000 0.000 0.912 476 E CB 0.680 30.380 29.700 0.000 0.000 0.953 476 E HN 0.453 nan 8.360 nan 0.000 0.494 477 L N 0.200 121.422 121.223 -0.001 0.000 2.777 477 L HA 0.126 4.464 4.340 -0.003 0.000 0.172 477 L C 1.806 178.674 176.870 -0.004 0.000 1.179 477 L CA 0.472 55.310 54.840 -0.004 0.000 0.859 477 L CB 0.310 42.368 42.059 -0.001 0.000 1.269 477 L HN -0.225 nan 8.230 nan 0.000 0.511 478 E N 0.139 120.343 120.200 0.007 0.000 2.077 478 E HA -0.246 4.102 4.350 -0.003 0.000 0.193 478 E C 2.019 178.603 176.600 -0.027 0.000 0.989 478 E CA 1.521 57.923 56.400 0.003 0.000 0.800 478 E CB -0.213 29.506 29.700 0.032 0.000 0.746 478 E HN 0.607 nan 8.360 nan 0.000 0.452 479 Q N -0.315 119.465 119.800 -0.033 0.000 2.079 479 Q HA -0.086 4.253 4.340 -0.003 0.000 0.200 479 Q C -0.562 175.410 176.000 -0.047 0.000 0.974 479 Q CA 1.310 57.081 55.803 -0.053 0.000 0.840 479 Q CB -0.745 27.964 28.738 -0.049 0.000 0.898 479 Q HN 0.227 nan 8.270 nan 0.000 0.430 480 P HA -0.153 nan 4.420 nan 0.000 0.217 480 P C 1.215 178.492 177.300 -0.037 0.000 1.151 480 P CA 0.831 63.909 63.100 -0.036 0.000 0.828 480 P CB 0.029 31.712 31.700 -0.028 0.000 0.788 481 L N -0.544 120.658 121.223 -0.035 0.000 2.083 481 L HA -0.113 4.225 4.340 -0.003 0.000 0.209 481 L C 2.373 179.217 176.870 -0.043 0.000 1.083 481 L CA 1.863 56.679 54.840 -0.040 0.000 0.752 481 L CB -1.531 40.507 42.059 -0.035 0.000 0.899 481 L HN -0.096 nan 8.230 nan 0.000 0.433 482 S N -1.262 114.410 115.700 -0.047 0.000 2.374 482 S HA -0.221 4.248 4.470 -0.003 0.000 0.227 482 S C 2.089 176.666 174.600 -0.039 0.000 1.037 482 S CA 1.821 59.992 58.200 -0.049 0.000 1.024 482 S CB -0.391 62.763 63.200 -0.076 0.000 0.861 482 S HN 0.683 nan 8.310 nan 0.000 0.456 483 S N 1.056 116.729 115.700 -0.046 0.000 2.383 483 S HA 0.076 4.544 4.470 -0.003 0.000 0.227 483 S C 1.744 176.330 174.600 -0.022 0.000 1.026 483 S CA 1.245 59.419 58.200 -0.044 0.000 0.981 483 S CB -0.377 62.791 63.200 -0.053 0.000 0.818 483 S HN 0.538 nan 8.310 nan 0.000 0.472 484 I N 1.330 121.886 120.570 -0.024 0.000 2.252 484 I HA -0.148 4.021 4.170 -0.003 0.000 0.245 484 I C 1.978 178.095 176.117 0.001 0.000 1.102 484 I CA 1.049 62.338 61.300 -0.017 0.000 1.385 484 I CB -0.350 37.629 38.000 -0.034 0.000 1.064 484 I HN 0.230 nan 8.210 nan 0.000 0.414 485 L N 0.499 121.720 121.223 -0.005 0.000 2.083 485 L HA -0.177 4.161 4.340 -0.003 0.000 0.209 485 L C 2.840 179.811 176.870 0.168 0.000 1.083 485 L CA 1.169 56.034 54.840 0.043 0.000 0.752 485 L CB -0.714 41.366 42.059 0.034 0.000 0.899 485 L HN 0.233 nan 8.230 nan 0.000 0.433 486 A N 0.126 123.016 122.820 0.116 0.000 1.902 486 A HA -0.204 4.114 4.320 -0.003 0.000 0.217 486 A C 2.171 179.867 177.584 0.186 0.000 1.181 486 A CA 1.565 53.689 52.037 0.146 0.000 0.623 486 A CB -0.364 18.654 19.000 0.029 0.000 0.818 486 A HN 0.468 nan 8.150 nan 0.000 0.443 487 E N -0.604 119.665 120.200 0.114 0.000 2.072 487 E HA -0.178 4.170 4.350 -0.003 0.000 0.191 487 E C 2.082 178.774 176.600 0.152 0.000 0.985 487 E CA 1.405 57.877 56.400 0.119 0.000 0.801 487 E CB -0.310 29.415 29.700 0.040 0.000 0.750 487 E HN 0.664 nan 8.360 nan 0.000 0.452 488 M N 0.782 120.472 119.600 0.150 0.000 2.067 488 M HA -0.190 4.288 4.480 -0.003 0.000 0.260 488 M C 2.132 178.590 176.300 0.264 0.000 1.069 488 M CA 1.625 57.031 55.300 0.176 0.000 1.117 488 M CB -0.204 32.502 32.600 0.177 0.000 1.334 488 M HN 0.045 nan 8.290 nan 0.000 0.407 489 E N -0.229 120.208 120.200 0.394 0.000 2.051 489 E HA -0.216 4.132 4.350 -0.003 0.000 0.192 489 E C 1.827 178.743 176.600 0.528 0.000 0.991 489 E CA 1.354 58.048 56.400 0.490 0.000 0.799 489 E CB -0.308 29.785 29.700 0.655 0.000 0.748 489 E HN 0.394 nan 8.360 nan 0.000 0.449 490 F N 1.539 121.682 119.950 0.321 0.000 2.171 490 F HA -0.132 4.393 4.527 -0.003 0.000 0.300 490 F C 2.173 178.001 175.800 0.047 0.000 1.090 490 F CA 1.259 59.336 58.000 0.128 0.000 1.293 490 F CB -0.363 38.595 39.000 -0.070 0.000 1.013 490 F HN -0.062 nan 8.300 nan 0.000 0.486 491 A N 0.272 123.037 122.820 -0.092 0.000 1.902 491 A HA 0.279 4.597 4.320 -0.003 0.000 0.217 491 A C 1.701 179.153 177.584 -0.221 0.000 1.181 491 A CA 1.308 53.194 52.037 -0.252 0.000 0.623 491 A CB -1.545 17.321 19.000 -0.223 0.000 0.818 491 A HN 1.015 nan 8.150 nan 0.000 0.443 492 G N -2.521 106.183 108.800 -0.161 0.000 2.855 492 G HA2 0.015 3.973 3.960 -0.003 0.000 0.352 492 G HA3 0.015 3.973 3.960 -0.003 0.000 0.352 492 G C -0.483 174.282 174.900 -0.225 0.000 1.415 492 G CA -0.327 44.526 45.100 -0.412 0.000 0.871 492 G HN 1.161 nan 8.290 nan 0.000 0.543 493 V N 0.687 120.483 119.914 -0.197 0.000 2.487 493 V HA 0.591 4.709 4.120 -0.003 0.000 0.298 493 V C 0.454 176.524 176.094 -0.040 0.000 1.028 493 V CA -0.691 61.588 62.300 -0.035 0.000 0.860 493 V CB 1.689 33.573 31.823 0.102 0.000 0.991 493 V HN 1.020 nan 8.190 nan 0.000 0.427 494 K N 3.713 124.098 120.400 -0.024 0.000 2.350 494 K HA 0.451 4.769 4.320 -0.003 0.000 0.279 494 K C -0.919 175.653 176.600 -0.046 0.000 1.027 494 K CA 0.157 56.415 56.287 -0.048 0.000 0.969 494 K CB 1.002 33.475 32.500 -0.045 0.000 0.954 494 K HN 0.449 nan 8.250 nan 0.000 0.474 495 V N 3.911 123.760 119.914 -0.108 0.000 2.495 495 V HA 0.180 4.298 4.120 -0.003 0.000 0.298 495 V C -0.625 175.386 176.094 -0.138 0.000 1.031 495 V CA -0.924 61.256 62.300 -0.201 0.000 0.871 495 V CB 1.701 33.364 31.823 -0.266 0.000 0.988 495 V HN 0.823 nan 8.190 nan 0.000 0.432 496 D N 3.240 123.559 120.400 -0.135 0.000 2.517 496 D HA 0.068 4.706 4.640 -0.003 0.000 0.220 496 D C 1.558 177.801 176.300 -0.096 0.000 1.158 496 D CA 0.300 54.250 54.000 -0.084 0.000 0.992 496 D CB 1.084 41.851 40.800 -0.055 0.000 1.058 496 D HN 0.770 nan 8.370 nan 0.000 0.516 497 T N 0.613 115.115 114.554 -0.087 0.000 2.803 497 T HA -0.198 4.150 4.350 -0.003 0.000 0.269 497 T C 1.716 176.381 174.700 -0.057 0.000 1.052 497 T CA 0.941 62.996 62.100 -0.076 0.000 1.136 497 T CB 0.014 68.845 68.868 -0.060 0.000 0.864 497 T HN 0.260 nan 8.240 nan 0.000 0.467 498 K N 0.647 121.018 120.400 -0.047 0.000 2.057 498 K HA -0.021 4.298 4.320 -0.003 0.000 0.207 498 K C 2.691 179.267 176.600 -0.040 0.000 1.049 498 K CA 1.285 57.550 56.287 -0.037 0.000 0.931 498 K CB -0.197 32.285 32.500 -0.030 0.000 0.714 498 K HN 0.315 nan 8.250 nan 0.000 0.440 499 R N 1.124 121.596 120.500 -0.047 0.000 2.075 499 R HA -0.057 4.282 4.340 -0.003 0.000 0.232 499 R C 2.213 178.482 176.300 -0.052 0.000 1.126 499 R CA 0.960 57.030 56.100 -0.049 0.000 0.963 499 R CB -0.155 30.114 30.300 -0.052 0.000 0.858 499 R HN 0.117 nan 8.270 nan 0.000 0.435 500 L N 0.426 121.613 121.223 -0.061 0.000 2.046 500 L HA -0.183 4.155 4.340 -0.003 0.000 0.208 500 L C 2.206 179.053 176.870 -0.039 0.000 1.077 500 L CA 1.638 56.446 54.840 -0.055 0.000 0.747 500 L CB -0.367 41.649 42.059 -0.071 0.000 0.896 500 L HN 0.337 nan 8.230 nan 0.000 0.432 501 E N -0.510 119.666 120.200 -0.039 0.000 2.110 501 E HA -0.254 4.094 4.350 -0.003 0.000 0.193 501 E C 2.228 178.811 176.600 -0.028 0.000 0.988 501 E CA 1.050 57.432 56.400 -0.031 0.000 0.804 501 E CB -0.022 29.660 29.700 -0.029 0.000 0.745 501 E HN 0.562 nan 8.360 nan 0.000 0.458 502 Q N 0.058 119.840 119.800 -0.030 0.000 2.046 502 Q HA -0.126 4.213 4.340 -0.003 0.000 0.200 502 Q C 2.258 178.241 176.000 -0.029 0.000 0.975 502 Q CA 1.218 57.004 55.803 -0.028 0.000 0.836 502 Q CB -0.123 28.597 28.738 -0.030 0.000 0.896 502 Q HN 0.350 nan 8.270 nan 0.000 0.428 503 M N 0.120 119.701 119.600 -0.033 0.000 2.108 503 M HA -0.139 4.339 4.480 -0.003 0.000 0.261 503 M C 2.278 178.562 176.300 -0.025 0.000 1.066 503 M CA 1.648 56.929 55.300 -0.031 0.000 1.107 503 M CB -0.661 31.919 32.600 -0.032 0.000 1.356 503 M HN 0.359 nan 8.290 nan 0.000 0.406 504 G N 0.585 109.371 108.800 -0.023 0.000 2.440 504 G HA2 -0.223 3.735 3.960 -0.003 0.000 0.218 504 G HA3 -0.223 3.735 3.960 -0.003 0.000 0.218 504 G C 1.618 176.504 174.900 -0.023 0.000 1.154 504 G CA 0.949 46.036 45.100 -0.022 0.000 0.767 504 G HN 0.417 nan 8.290 nan 0.000 0.552 505 K N 0.219 120.606 120.400 -0.022 0.000 2.057 505 K HA -0.031 4.287 4.320 -0.003 0.000 0.206 505 K C 2.455 179.043 176.600 -0.020 0.000 1.050 505 K CA 1.241 57.517 56.287 -0.019 0.000 0.935 505 K CB -0.140 32.350 32.500 -0.017 0.000 0.715 505 K HN 0.368 nan 8.250 nan 0.000 0.439 506 E N 0.875 121.062 120.200 -0.021 0.000 2.110 506 E HA -0.146 4.203 4.350 -0.003 0.000 0.193 506 E C 2.072 178.657 176.600 -0.026 0.000 0.988 506 E CA 0.786 57.173 56.400 -0.021 0.000 0.804 506 E CB -0.018 29.669 29.700 -0.021 0.000 0.745 506 E HN 0.219 nan 8.360 nan 0.000 0.458 507 L N 0.480 121.684 121.223 -0.032 0.000 2.056 507 L HA -0.171 4.168 4.340 -0.003 0.000 0.207 507 L C 2.587 179.426 176.870 -0.051 0.000 1.078 507 L CA 0.921 55.733 54.840 -0.046 0.000 0.749 507 L CB -0.438 41.592 42.059 -0.047 0.000 0.901 507 L HN 0.152 nan 8.230 nan 0.000 0.433 508 A N -0.231 122.566 122.820 -0.038 0.000 1.940 508 A HA -0.287 4.031 4.320 -0.003 0.000 0.219 508 A C 2.243 179.814 177.584 -0.022 0.000 1.176 508 A CA 2.074 54.093 52.037 -0.030 0.000 0.631 508 A CB -0.512 18.476 19.000 -0.020 0.000 0.814 508 A HN 0.526 nan 8.150 nan 0.000 0.446 509 E N -0.365 119.823 120.200 -0.020 0.000 2.028 509 E HA -0.239 4.109 4.350 -0.003 0.000 0.191 509 E C 2.167 178.757 176.600 -0.018 0.000 0.988 509 E CA 1.292 57.684 56.400 -0.013 0.000 0.799 509 E CB -0.215 29.479 29.700 -0.010 0.000 0.755 509 E HN 0.760 nan 8.360 nan 0.000 0.447 510 Q N 0.051 119.833 119.800 -0.030 0.000 2.124 510 Q HA -0.174 4.165 4.340 -0.003 0.000 0.202 510 Q C 2.325 178.284 176.000 -0.068 0.000 0.977 510 Q CA 1.050 56.825 55.803 -0.045 0.000 0.850 510 Q CB -0.099 28.601 28.738 -0.063 0.000 0.901 510 Q HN 0.260 nan 8.270 nan 0.000 0.429 511 L N 0.460 121.641 121.223 -0.069 0.000 2.046 511 L HA -0.084 4.254 4.340 -0.003 0.000 0.208 511 L C 2.179 179.068 176.870 0.031 0.000 1.077 511 L CA 2.132 56.950 54.840 -0.037 0.000 0.747 511 L CB -1.034 40.984 42.059 -0.067 0.000 0.896 511 L HN 0.214 nan 8.230 nan 0.000 0.432 512 G N -2.338 106.467 108.800 0.009 0.000 2.418 512 G HA2 -0.245 3.713 3.960 -0.003 0.000 0.217 512 G HA3 -0.245 3.713 3.960 -0.003 0.000 0.217 512 G C 1.474 176.368 174.900 -0.012 0.000 1.158 512 G CA 1.191 46.297 45.100 0.010 0.000 0.771 512 G HN 0.403 nan 8.290 nan 0.000 0.545 513 T N 0.921 115.467 114.554 -0.012 0.000 2.674 513 T HA -0.129 4.220 4.350 -0.003 0.000 0.265 513 T C 2.582 177.263 174.700 -0.032 0.000 1.039 513 T CA 1.445 63.537 62.100 -0.013 0.000 1.150 513 T CB -0.381 68.487 68.868 0.000 0.000 0.864 513 T HN 0.054 nan 8.240 nan 0.000 0.427 514 V N 1.511 121.406 119.914 -0.032 0.000 2.343 514 V HA -0.187 3.932 4.120 -0.003 0.000 0.247 514 V C 2.501 178.501 176.094 -0.157 0.000 1.051 514 V CA 1.968 64.245 62.300 -0.039 0.000 1.036 514 V CB -0.657 31.157 31.823 -0.015 0.000 0.654 514 V HN 0.568 nan 8.190 nan 0.000 0.451 515 E N -0.300 119.781 120.200 -0.198 0.000 2.085 515 E HA -0.271 4.077 4.350 -0.003 0.000 0.194 515 E C 2.314 178.513 176.600 -0.669 0.000 0.994 515 E CA 1.324 57.404 56.400 -0.534 0.000 0.801 515 E CB -0.022 29.478 29.700 -0.334 0.000 0.743 515 E HN 0.545 nan 8.360 nan 0.000 0.453 516 Q N 0.263 119.898 119.800 -0.275 0.000 2.079 516 Q HA -0.163 4.175 4.340 -0.003 0.000 0.200 516 Q C 2.228 178.170 176.000 -0.096 0.000 0.974 516 Q CA 1.260 57.001 55.803 -0.104 0.000 0.840 516 Q CB -0.438 28.303 28.738 0.005 0.000 0.898 516 Q HN 0.109 nan 8.270 nan 0.000 0.430 517 R N 1.087 121.526 120.500 -0.101 0.000 2.096 517 R HA -0.036 4.302 4.340 -0.003 0.000 0.235 517 R C 2.075 178.337 176.300 -0.063 0.000 1.127 517 R CA 1.116 57.188 56.100 -0.047 0.000 0.968 517 R CB -0.616 29.670 30.300 -0.023 0.000 0.861 517 R HN 0.283 nan 8.270 nan 0.000 0.440 518 I N -0.429 120.022 120.570 -0.198 0.000 2.252 518 I HA -0.267 3.901 4.170 -0.003 0.000 0.245 518 I C 1.527 177.630 176.117 -0.024 0.000 1.102 518 I CA 1.124 62.314 61.300 -0.184 0.000 1.385 518 I CB -0.347 37.400 38.000 -0.421 0.000 1.064 518 I HN 0.141 nan 8.210 nan 0.000 0.414 519 Y N 0.797 121.101 120.300 0.007 0.000 2.242 519 Y HA -0.208 4.340 4.550 -0.003 0.000 0.291 519 Y C 2.550 178.491 175.900 0.067 0.000 1.137 519 Y CA 0.915 59.059 58.100 0.073 0.000 1.181 519 Y CB -0.893 37.577 38.460 0.017 0.000 0.989 519 Y HN 0.256 nan 8.280 nan 0.000 0.527 520 E N 0.416 120.723 120.200 0.178 0.000 2.051 520 E HA -0.177 4.171 4.350 -0.003 0.000 0.192 520 E C 1.965 178.631 176.600 0.109 0.000 0.991 520 E CA 1.193 57.663 56.400 0.118 0.000 0.799 520 E CB -0.303 29.442 29.700 0.076 0.000 0.748 520 E HN 0.423 nan 8.360 nan 0.000 0.449 521 L N 0.060 121.350 121.223 0.111 0.000 2.275 521 L HA -0.072 4.267 4.340 -0.003 0.000 0.215 521 L C 2.370 179.319 176.870 0.132 0.000 1.119 521 L CA 0.796 55.724 54.840 0.147 0.000 0.790 521 L CB -0.179 41.986 42.059 0.176 0.000 0.919 521 L HN 0.200 nan 8.230 nan 0.000 0.443 522 A N -0.720 122.169 122.820 0.116 0.000 2.132 522 A HA 0.294 4.612 4.320 -0.003 0.000 0.213 522 A C 1.808 179.414 177.584 0.038 0.000 1.154 522 A CA 0.739 52.805 52.037 0.048 0.000 0.753 522 A CB -0.173 18.911 19.000 0.140 0.000 0.826 522 A HN 0.456 nan 8.150 nan 0.000 0.469 523 G N -0.856 107.995 108.800 0.085 0.000 2.148 523 G HA2 -0.233 3.725 3.960 -0.003 0.000 0.254 523 G HA3 -0.233 3.725 3.960 -0.003 0.000 0.254 523 G C -0.040 174.890 174.900 0.050 0.000 0.981 523 G CA 0.923 46.056 45.100 0.056 0.000 0.670 523 G HN 1.578 nan 8.290 nan 0.000 0.528 524 Q N -2.119 117.739 119.800 0.098 0.000 2.943 524 Q HA 0.588 4.927 4.340 -0.003 0.000 0.305 524 Q C -1.376 174.704 176.000 0.134 0.000 0.873 524 Q CA -1.075 54.767 55.803 0.065 0.000 0.773 524 Q CB 0.614 29.359 28.738 0.012 0.000 1.501 524 Q HN 0.267 nan 8.270 nan 0.000 0.442 525 E N 0.407 120.559 120.200 -0.080 0.000 2.222 525 E HA 0.760 5.108 4.350 -0.003 0.000 0.272 525 E C -0.994 175.635 176.600 0.049 0.000 0.982 525 E CA -0.590 55.517 56.400 -0.488 0.000 0.842 525 E CB 1.351 30.537 29.700 -0.857 0.000 1.144 525 E HN 0.463 nan 8.360 nan 0.000 0.397 526 F N -1.061 118.751 119.950 -0.231 0.000 2.842 526 F HA 0.267 4.792 4.527 -0.003 0.000 0.319 526 F C -1.374 174.486 175.800 0.100 0.000 1.159 526 F CA -1.516 56.470 58.000 -0.022 0.000 0.902 526 F CB 0.448 39.460 39.000 0.019 0.000 1.311 526 F HN 0.204 nan 8.300 nan 0.000 0.453 527 N N 1.850 120.586 118.700 0.061 0.000 2.448 527 N HA 0.320 5.058 4.740 -0.003 0.000 0.250 527 N C 0.682 176.156 175.510 -0.060 0.000 1.136 527 N CA -0.196 52.841 53.050 -0.021 0.000 0.953 527 N CB 0.106 38.630 38.487 0.062 0.000 1.251 527 N HN 0.726 nan 8.380 nan 0.000 0.502 528 I N 1.805 122.173 120.570 -0.337 0.000 2.530 528 I HA -0.276 3.893 4.170 -0.003 0.000 0.257 528 I C 0.869 177.020 176.117 0.056 0.000 1.179 528 I CA 0.813 61.957 61.300 -0.260 0.000 1.440 528 I CB -0.229 37.424 38.000 -0.579 0.000 1.087 528 I HN 0.517 nan 8.210 nan 0.000 0.440 529 N N 0.351 119.110 118.700 0.097 0.000 2.457 529 N HA -0.054 4.684 4.740 -0.003 0.000 0.180 529 N C 0.593 176.173 175.510 0.116 0.000 1.050 529 N CA 0.421 53.550 53.050 0.131 0.000 0.906 529 N CB -0.011 38.546 38.487 0.116 0.000 0.968 529 N HN 0.295 nan 8.380 nan 0.000 0.445 530 S N 0.950 116.724 115.700 0.124 0.000 2.474 530 S HA 0.252 4.720 4.470 -0.003 0.000 0.276 530 S C -2.110 172.581 174.600 0.152 0.000 1.227 530 S CA -1.302 56.974 58.200 0.126 0.000 1.050 530 S CB 1.369 64.645 63.200 0.127 0.000 0.939 530 S HN 0.075 nan 8.310 nan 0.000 0.490 531 P HA 0.193 nan 4.420 nan 0.000 0.258 531 P C 0.015 177.410 177.300 0.159 0.000 1.559 531 P CA 0.015 63.204 63.100 0.150 0.000 0.855 531 P CB -0.088 31.682 31.700 0.117 0.000 1.594 532 K N -0.756 119.740 120.400 0.161 0.000 2.703 532 K HA 0.108 4.426 4.320 -0.003 0.000 0.196 532 K C 1.932 178.629 176.600 0.161 0.000 1.457 532 K CA 0.102 56.480 56.287 0.152 0.000 1.115 532 K CB 0.192 32.751 32.500 0.098 0.000 1.661 532 K HN 0.014 nan 8.250 nan 0.000 0.552 533 Q N 1.089 120.988 119.800 0.165 0.000 2.119 533 Q HA -0.077 4.261 4.340 -0.003 0.000 0.201 533 Q C 2.028 178.092 176.000 0.107 0.000 0.972 533 Q CA 1.111 57.008 55.803 0.157 0.000 0.847 533 Q CB 0.019 28.928 28.738 0.285 0.000 0.903 533 Q HN 0.089 nan 8.270 nan 0.000 0.433 534 L N 0.389 121.755 121.223 0.239 0.000 2.109 534 L HA 0.007 4.346 4.340 -0.003 0.000 0.207 534 L C 2.067 178.969 176.870 0.053 0.000 1.086 534 L CA 2.000 56.965 54.840 0.208 0.000 0.760 534 L CB -0.869 41.356 42.059 0.277 0.000 0.910 534 L HN 0.152 nan 8.230 nan 0.000 0.437 535 G N -1.062 107.859 108.800 0.202 0.000 2.418 535 G HA2 -0.197 3.761 3.960 -0.003 0.000 0.217 535 G HA3 -0.197 3.761 3.960 -0.003 0.000 0.217 535 G C 1.518 176.516 174.900 0.163 0.000 1.158 535 G CA 1.058 46.388 45.100 0.383 0.000 0.771 535 G HN 0.317 nan 8.290 nan 0.000 0.545 536 V N 1.418 121.401 119.914 0.114 0.000 2.358 536 V HA -0.118 4.000 4.120 -0.003 0.000 0.246 536 V C 2.803 178.793 176.094 -0.174 0.000 1.047 536 V CA 1.064 63.371 62.300 0.013 0.000 1.035 536 V CB -0.289 31.537 31.823 0.005 0.000 0.658 536 V HN 0.265 nan 8.190 nan 0.000 0.452 537 I N -0.331 120.052 120.570 -0.311 0.000 2.142 537 I HA -0.219 3.949 4.170 -0.003 0.000 0.240 537 I C 2.335 178.198 176.117 -0.423 0.000 1.078 537 I CA 1.878 62.904 61.300 -0.456 0.000 1.343 537 I CB -1.063 36.452 38.000 -0.808 0.000 1.046 537 I HN 0.265 nan 8.210 nan 0.000 0.405 538 L N -0.551 120.372 121.223 -0.500 0.000 2.007 538 L HA -0.164 4.174 4.340 -0.003 0.000 0.205 538 L C 2.401 178.802 176.870 -0.783 0.000 1.073 538 L CA 1.467 55.866 54.840 -0.735 0.000 0.744 538 L CB -0.708 40.687 42.059 -1.106 0.000 0.898 538 L HN 0.079 nan 8.230 nan 0.000 0.435 539 F N -0.671 119.053 119.950 -0.377 0.000 2.789 539 F HA 0.050 4.575 4.527 -0.003 0.000 0.300 539 F C 2.110 177.697 175.800 -0.354 0.000 1.132 539 F CA 0.295 58.016 58.000 -0.465 0.000 1.404 539 F CB -0.185 38.273 39.000 -0.903 0.000 1.114 539 F HN 0.089 nan 8.300 nan 0.000 0.584 540 E N -0.029 120.071 120.200 -0.166 0.000 2.476 540 E HA 0.007 4.355 4.350 -0.003 0.000 0.193 540 E C 1.862 178.399 176.600 -0.104 0.000 0.966 540 E CA -0.048 56.300 56.400 -0.086 0.000 1.114 540 E CB 0.034 29.718 29.700 -0.026 0.000 1.151 540 E HN 0.091 nan 8.360 nan 0.000 0.487 541 K N 1.191 121.505 120.400 -0.143 0.000 2.026 541 K HA -0.061 4.258 4.320 -0.003 0.000 0.208 541 K C 1.861 178.376 176.600 -0.141 0.000 1.048 541 K CA 1.102 57.307 56.287 -0.138 0.000 0.929 541 K CB 0.063 32.458 32.500 -0.176 0.000 0.713 541 K HN 0.050 nan 8.250 nan 0.000 0.439 542 L N 0.491 121.591 121.223 -0.204 0.000 2.567 542 L HA 0.066 4.404 4.340 -0.003 0.000 0.225 542 L C 0.232 177.020 176.870 -0.136 0.000 1.119 542 L CA -0.017 54.706 54.840 -0.194 0.000 0.871 542 L CB 0.217 42.062 42.059 -0.358 0.000 1.036 542 L HN 0.275 nan 8.230 nan 0.000 0.459 543 Q N 0.039 119.758 119.800 -0.135 0.000 2.481 543 Q HA -0.191 4.147 4.340 -0.003 0.000 0.258 543 Q C 0.007 175.942 176.000 -0.108 0.000 0.961 543 Q CA 0.838 56.586 55.803 -0.092 0.000 1.121 543 Q CB -2.077 26.629 28.738 -0.054 0.000 1.503 543 Q HN 0.476 nan 8.270 nan 0.000 0.544 544 L N 2.125 123.250 121.223 -0.162 0.000 2.483 544 L HA 0.154 4.493 4.340 -0.003 0.000 0.276 544 L C -1.206 175.647 176.870 -0.028 0.000 1.213 544 L CA -1.212 53.527 54.840 -0.168 0.000 0.843 544 L CB -0.214 41.693 42.059 -0.253 0.000 1.107 544 L HN -0.087 nan 8.230 nan 0.000 0.487 545 P HA 0.024 nan 4.420 nan 0.000 0.271 545 P C -0.673 176.661 177.300 0.057 0.000 1.218 545 P CA -0.229 62.825 63.100 -0.076 0.000 0.780 545 P CB 0.975 32.545 31.700 -0.215 0.000 0.901 546 V N 5.084 124.965 119.914 -0.054 0.000 2.322 546 V HA 0.073 4.191 4.120 -0.003 0.000 0.258 546 V C 1.627 177.652 176.094 -0.114 0.000 1.074 546 V CA 0.118 62.282 62.300 -0.227 0.000 0.909 546 V CB -0.075 31.601 31.823 -0.245 0.000 1.090 546 V HN 0.477 nan 8.190 nan 0.000 0.486 547 L N 2.994 124.176 121.223 -0.067 0.000 2.416 547 L HA 0.316 4.654 4.340 -0.003 0.000 0.216 547 L C 0.965 177.823 176.870 -0.020 0.000 1.098 547 L CA 0.662 55.493 54.840 -0.015 0.000 0.840 547 L CB 0.080 42.161 42.059 0.036 0.000 0.981 547 L HN 0.512 nan 8.230 nan 0.000 0.462 548 K N 0.521 120.888 120.400 -0.054 0.000 2.542 548 K HA 0.372 4.691 4.320 -0.003 0.000 0.259 548 K C -1.429 175.130 176.600 -0.069 0.000 0.932 548 K CA -0.674 55.594 56.287 -0.033 0.000 0.820 548 K CB 2.365 34.870 32.500 0.007 0.000 1.345 548 K HN -0.270 nan 8.250 nan 0.000 0.432 549 K N 2.144 122.519 120.400 -0.043 0.000 2.397 549 K HA 0.246 4.565 4.320 -0.003 0.000 0.253 549 K C 0.610 177.196 176.600 -0.024 0.000 0.932 549 K CA -0.449 55.809 56.287 -0.048 0.000 0.795 549 K CB 1.543 34.008 32.500 -0.058 0.000 1.159 549 K HN 0.847 nan 8.250 nan 0.000 0.424 550 T N 1.286 115.829 114.554 -0.018 0.000 2.536 550 T HA -0.074 4.275 4.350 -0.003 0.000 0.236 550 T C 1.271 175.962 174.700 -0.015 0.000 1.227 550 T CA 1.092 63.190 62.100 -0.004 0.000 1.505 550 T CB -0.085 68.787 68.868 0.007 0.000 0.969 550 T HN 0.730 nan 8.240 nan 0.000 0.390 551 K N -1.589 118.796 120.400 -0.025 0.000 2.614 551 K HA 0.124 4.443 4.320 -0.003 0.000 0.183 551 K C 1.829 178.404 176.600 -0.042 0.000 1.792 551 K CA 0.643 56.913 56.287 -0.027 0.000 1.211 551 K CB 0.288 32.781 32.500 -0.012 0.000 1.735 551 K HN 0.425 nan 8.250 nan 0.000 0.587 552 T N -0.692 113.834 114.554 -0.046 0.000 2.985 552 T HA 0.409 4.757 4.350 -0.003 0.000 0.254 552 T C 0.385 175.021 174.700 -0.107 0.000 1.021 552 T CA 0.701 62.766 62.100 -0.059 0.000 0.957 552 T CB 0.758 69.607 68.868 -0.032 0.000 1.047 552 T HN 0.395 nan 8.240 nan 0.000 0.511 553 G N -0.403 108.318 108.800 -0.131 0.000 2.529 553 G HA2 0.432 4.391 3.960 -0.003 0.000 0.238 553 G HA3 0.432 4.391 3.960 -0.003 0.000 0.238 553 G C -1.787 172.969 174.900 -0.241 0.000 1.207 553 G CA -0.874 44.069 45.100 -0.261 0.000 0.928 553 G HN 0.250 nan 8.290 nan 0.000 0.495 554 Y N 0.817 121.093 120.300 -0.041 0.000 2.319 554 Y HA 0.529 5.077 4.550 -0.003 0.000 0.328 554 Y C 1.126 177.001 175.900 -0.041 0.000 1.133 554 Y CA -0.016 57.996 58.100 -0.147 0.000 1.265 554 Y CB 1.627 40.000 38.460 -0.145 0.000 1.218 554 Y HN 0.346 nan 8.280 nan 0.000 0.508 555 S N 1.318 117.055 115.700 0.062 0.000 2.537 555 S HA 0.225 4.693 4.470 -0.003 0.000 0.275 555 S C 0.494 175.214 174.600 0.200 0.000 1.272 555 S CA -0.360 57.899 58.200 0.098 0.000 1.050 555 S CB 0.217 63.443 63.200 0.043 0.000 0.961 555 S HN 0.808 nan 8.310 nan 0.000 0.496 556 T N 0.957 115.634 114.554 0.205 0.000 3.380 556 T HA 0.338 4.686 4.350 -0.003 0.000 0.289 556 T C 0.133 174.925 174.700 0.153 0.000 1.012 556 T CA -0.564 61.673 62.100 0.230 0.000 0.944 556 T CB -0.203 68.805 68.868 0.233 0.000 1.172 556 T HN 0.392 nan 8.240 nan 0.000 0.502 557 S N 1.270 117.043 115.700 0.122 0.000 2.566 557 S HA 0.445 4.913 4.470 -0.003 0.000 0.280 557 S C 1.883 176.537 174.600 0.090 0.000 1.343 557 S CA -0.061 58.193 58.200 0.091 0.000 1.036 557 S CB 0.570 63.812 63.200 0.069 0.000 0.866 557 S HN 0.690 nan 8.310 nan 0.000 0.526 558 A N 2.168 125.033 122.820 0.074 0.000 1.940 558 A HA -0.210 4.108 4.320 -0.003 0.000 0.219 558 A C 1.698 179.320 177.584 0.063 0.000 1.176 558 A CA 2.118 54.197 52.037 0.068 0.000 0.631 558 A CB -1.020 18.013 19.000 0.055 0.000 0.814 558 A HN 0.945 nan 8.150 nan 0.000 0.446 559 D N -0.499 119.934 120.400 0.054 0.000 2.178 559 D HA -0.088 4.550 4.640 -0.003 0.000 0.202 559 D C 1.451 177.789 176.300 0.064 0.000 0.974 559 D CA 1.230 55.259 54.000 0.047 0.000 0.841 559 D CB -0.510 40.309 40.800 0.032 0.000 0.953 559 D HN 0.227 nan 8.370 nan 0.000 0.478 560 V N 0.538 120.502 119.914 0.082 0.000 2.379 560 V HA -0.128 3.990 4.120 -0.003 0.000 0.245 560 V C 2.517 178.688 176.094 0.129 0.000 1.044 560 V CA 1.036 63.401 62.300 0.108 0.000 1.036 560 V CB -0.533 31.369 31.823 0.131 0.000 0.664 560 V HN 0.272 nan 8.190 nan 0.000 0.453 561 L N -0.289 121.006 121.223 0.120 0.000 2.083 561 L HA -0.181 4.157 4.340 -0.003 0.000 0.209 561 L C 2.543 179.472 176.870 0.097 0.000 1.083 561 L CA 1.579 56.486 54.840 0.111 0.000 0.752 561 L CB -0.690 41.427 42.059 0.097 0.000 0.899 561 L HN 0.379 nan 8.230 nan 0.000 0.433 562 E N 0.457 120.706 120.200 0.080 0.000 2.130 562 E HA -0.251 4.098 4.350 -0.003 0.000 0.196 562 E C 2.147 178.790 176.600 0.073 0.000 0.998 562 E CA 1.356 57.794 56.400 0.063 0.000 0.806 562 E CB 0.019 29.747 29.700 0.047 0.000 0.738 562 E HN 0.455 nan 8.360 nan 0.000 0.459 563 K N 0.177 120.633 120.400 0.094 0.000 2.167 563 K HA -0.021 4.297 4.320 -0.003 0.000 0.203 563 K C 1.971 178.686 176.600 0.192 0.000 1.052 563 K CA 0.646 57.004 56.287 0.119 0.000 0.956 563 K CB 0.103 32.676 32.500 0.121 0.000 0.735 563 K HN 0.130 nan 8.250 nan 0.000 0.451 564 L N 0.355 121.701 121.223 0.205 0.000 2.492 564 L HA 0.052 4.390 4.340 -0.003 0.000 0.223 564 L C 2.405 179.427 176.870 0.253 0.000 1.132 564 L CA 0.092 55.109 54.840 0.295 0.000 0.850 564 L CB -0.507 41.662 42.059 0.183 0.000 0.966 564 L HN 0.120 nan 8.230 nan 0.000 0.454 565 A N 1.517 124.420 122.820 0.139 0.000 1.903 565 A HA -0.177 4.141 4.320 -0.003 0.000 0.219 565 A C 0.065 177.678 177.584 0.048 0.000 1.191 565 A CA 1.939 54.028 52.037 0.086 0.000 0.638 565 A CB -1.821 17.208 19.000 0.048 0.000 0.823 565 A HN 0.287 nan 8.150 nan 0.000 0.451 566 P HA -0.152 nan 4.420 nan 0.000 0.219 566 P C 0.756 177.937 177.300 -0.199 0.000 1.146 566 P CA 1.181 64.180 63.100 -0.169 0.000 0.808 566 P CB -0.183 31.331 31.700 -0.309 0.000 0.779 567 Y N -3.107 117.214 120.300 0.034 0.000 2.337 567 Y HA 0.000 4.548 4.550 -0.003 0.000 0.293 567 Y C 1.551 177.497 175.900 0.077 0.000 1.123 567 Y CA 0.948 59.076 58.100 0.046 0.000 1.201 567 Y CB -0.026 38.467 38.460 0.055 0.000 1.011 567 Y HN 0.035 nan 8.280 nan 0.000 0.545 568 H N -0.658 118.483 119.070 0.118 0.000 3.029 568 H HA 0.100 4.654 4.556 -0.003 0.000 0.358 568 H C 0.134 175.478 175.328 0.027 0.000 1.129 568 H CA -0.533 55.547 56.048 0.054 0.000 1.230 568 H CB 1.794 31.576 29.762 0.033 0.000 1.827 568 H HN 0.237 nan 8.280 nan 0.000 0.530 569 E N 4.020 124.219 120.200 -0.001 0.000 2.333 569 E HA -0.100 4.248 4.350 -0.003 0.000 0.198 569 E C 1.494 178.208 176.600 0.189 0.000 1.007 569 E CA 0.805 57.243 56.400 0.065 0.000 0.845 569 E CB 0.197 29.873 29.700 -0.039 0.000 0.766 569 E HN 0.643 nan 8.360 nan 0.000 0.507 570 I N -0.120 120.701 120.570 0.418 0.000 2.394 570 I HA -0.223 3.945 4.170 -0.003 0.000 0.251 570 I C 1.832 178.007 176.117 0.097 0.000 1.136 570 I CA 0.542 61.954 61.300 0.187 0.000 1.425 570 I CB 0.132 38.148 38.000 0.027 0.000 1.079 570 I HN 0.059 nan 8.210 nan 0.000 0.425 571 V N 2.331 122.307 119.914 0.103 0.000 2.233 571 V HA -0.341 3.777 4.120 -0.003 0.000 0.247 571 V C 2.450 178.591 176.094 0.078 0.000 1.050 571 V CA 2.512 64.854 62.300 0.071 0.000 1.010 571 V CB -1.214 30.658 31.823 0.082 0.000 0.637 571 V HN 0.630 nan 8.190 nan 0.000 0.444 572 E N 0.551 120.797 120.200 0.076 0.000 2.118 572 E HA -0.272 4.076 4.350 -0.003 0.000 0.195 572 E C 1.905 178.564 176.600 0.098 0.000 0.992 572 E CA 1.782 58.222 56.400 0.066 0.000 0.804 572 E CB -0.538 29.184 29.700 0.036 0.000 0.741 572 E HN 0.625 nan 8.360 nan 0.000 0.458 573 N N 0.835 119.595 118.700 0.099 0.000 2.188 573 N HA -0.078 4.660 4.740 -0.003 0.000 0.184 573 N C 2.015 177.603 175.510 0.129 0.000 1.018 573 N CA 1.216 54.337 53.050 0.120 0.000 0.858 573 N CB -0.089 38.437 38.487 0.064 0.000 0.989 573 N HN 0.305 nan 8.380 nan 0.000 0.426 574 I N 1.127 121.755 120.570 0.097 0.000 2.252 574 I HA -0.216 3.952 4.170 -0.003 0.000 0.245 574 I C 2.187 178.407 176.117 0.172 0.000 1.102 574 I CA 0.703 62.071 61.300 0.113 0.000 1.385 574 I CB -0.140 37.907 38.000 0.079 0.000 1.064 574 I HN 0.045 nan 8.210 nan 0.000 0.414 575 L N -0.236 121.073 121.223 0.143 0.000 1.994 575 L HA -0.290 4.049 4.340 -0.003 0.000 0.208 575 L C 2.711 179.686 176.870 0.175 0.000 1.071 575 L CA 1.689 56.610 54.840 0.135 0.000 0.745 575 L CB -0.889 41.231 42.059 0.102 0.000 0.892 575 L HN 0.344 nan 8.230 nan 0.000 0.431 576 H N -1.379 117.731 119.070 0.066 0.000 2.352 576 H HA -0.294 4.260 4.556 -0.003 0.000 0.299 576 H C 2.336 177.699 175.328 0.059 0.000 1.097 576 H CA 2.001 58.079 56.048 0.049 0.000 1.311 576 H CB 0.036 29.825 29.762 0.045 0.000 1.377 576 H HN 0.309 nan 8.280 nan 0.000 0.504 577 Y N 1.682 121.967 120.300 -0.026 0.000 2.128 577 Y HA -0.245 4.303 4.550 -0.003 0.000 0.284 577 Y C 2.674 178.532 175.900 -0.071 0.000 1.154 577 Y CA 1.805 59.834 58.100 -0.119 0.000 1.149 577 Y CB -0.279 38.117 38.460 -0.107 0.000 0.976 577 Y HN 0.074 nan 8.280 nan 0.000 0.505 578 R N -0.208 120.276 120.500 -0.026 0.000 2.081 578 R HA -0.191 4.147 4.340 -0.003 0.000 0.235 578 R C 2.309 178.553 176.300 -0.093 0.000 1.131 578 R CA 1.933 57.984 56.100 -0.083 0.000 0.960 578 R CB -0.371 29.961 30.300 0.053 0.000 0.856 578 R HN 0.531 nan 8.270 nan 0.000 0.436 579 Q N 0.420 120.207 119.800 -0.022 0.000 2.124 579 Q HA -0.128 4.210 4.340 -0.003 0.000 0.202 579 Q C 2.230 178.205 176.000 -0.041 0.000 0.977 579 Q CA 1.211 57.017 55.803 0.005 0.000 0.850 579 Q CB -0.106 28.672 28.738 0.067 0.000 0.901 579 Q HN 0.352 nan 8.270 nan 0.000 0.429 580 L N -0.176 120.973 121.223 -0.123 0.000 2.056 580 L HA -0.090 4.248 4.340 -0.003 0.000 0.207 580 L C 2.449 179.209 176.870 -0.183 0.000 1.078 580 L CA 1.115 55.857 54.840 -0.163 0.000 0.749 580 L CB -0.830 41.067 42.059 -0.270 0.000 0.901 580 L HN 0.339 nan 8.230 nan 0.000 0.433 581 G N 0.066 108.682 108.800 -0.306 0.000 2.422 581 G HA2 -0.311 3.648 3.960 -0.003 0.000 0.218 581 G HA3 -0.311 3.648 3.960 -0.003 0.000 0.218 581 G C 1.652 176.471 174.900 -0.135 0.000 1.146 581 G CA 0.919 45.841 45.100 -0.296 0.000 0.769 581 G HN 0.191 nan 8.290 nan 0.000 0.547 582 K N 0.427 120.784 120.400 -0.073 0.000 2.026 582 K HA 0.091 4.410 4.320 -0.003 0.000 0.208 582 K C 2.446 179.108 176.600 0.102 0.000 1.048 582 K CA 0.906 57.203 56.287 0.018 0.000 0.929 582 K CB -0.550 31.993 32.500 0.072 0.000 0.713 582 K HN 0.337 nan 8.250 nan 0.000 0.439 583 L N 0.309 121.602 121.223 0.116 0.000 2.017 583 L HA -0.199 4.139 4.340 -0.003 0.000 0.208 583 L C 2.721 179.657 176.870 0.109 0.000 1.073 583 L CA 1.582 56.534 54.840 0.187 0.000 0.745 583 L CB -0.579 41.524 42.059 0.074 0.000 0.894 583 L HN 0.327 nan 8.230 nan 0.000 0.432 584 Q N 0.424 120.231 119.800 0.010 0.000 1.993 584 Q HA -0.199 4.139 4.340 -0.003 0.000 0.202 584 Q C 2.403 178.387 176.000 -0.027 0.000 0.984 584 Q CA 2.631 58.423 55.803 -0.019 0.000 0.837 584 Q CB -0.253 28.447 28.738 -0.063 0.000 0.902 584 Q HN 0.523 nan 8.270 nan 0.000 0.423 585 S N -1.834 113.836 115.700 -0.050 0.000 2.371 585 S HA -0.084 4.384 4.470 -0.003 0.000 0.224 585 S C 1.994 176.537 174.600 -0.095 0.000 1.029 585 S CA 1.415 59.577 58.200 -0.064 0.000 0.978 585 S CB -0.707 62.452 63.200 -0.068 0.000 0.833 585 S HN 0.431 nan 8.310 nan 0.000 0.466 586 T N 0.369 114.833 114.554 -0.150 0.000 2.901 586 T HA 0.188 4.536 4.350 -0.003 0.000 0.252 586 T C 1.059 175.508 174.700 -0.418 0.000 1.035 586 T CA 0.946 62.840 62.100 -0.343 0.000 1.142 586 T CB -0.394 68.127 68.868 -0.578 0.000 0.869 586 T HN 0.562 nan 8.240 nan 0.000 0.442 587 Y N 0.054 120.364 120.300 0.017 0.000 2.457 587 Y HA 0.328 4.877 4.550 -0.003 0.000 0.263 587 Y C 1.616 177.531 175.900 0.025 0.000 1.164 587 Y CA -0.342 57.783 58.100 0.041 0.000 1.274 587 Y CB 0.193 38.682 38.460 0.048 0.000 1.097 587 Y HN 0.143 nan 8.280 nan 0.000 0.523 588 I N -0.662 119.963 120.570 0.092 0.000 3.818 588 I HA -0.007 4.161 4.170 -0.003 0.000 0.242 588 I C 1.872 177.991 176.117 0.004 0.000 1.111 588 I CA 0.596 61.922 61.300 0.042 0.000 1.576 588 I CB -0.941 37.072 38.000 0.022 0.000 1.572 588 I HN 0.093 nan 8.210 nan 0.000 0.450 589 E N 1.414 121.606 120.200 -0.013 0.000 2.051 589 E HA -0.138 4.210 4.350 -0.003 0.000 0.192 589 E C 2.120 178.702 176.600 -0.029 0.000 0.991 589 E CA 1.384 57.770 56.400 -0.024 0.000 0.799 589 E CB -0.331 29.352 29.700 -0.029 0.000 0.748 589 E HN 0.561 nan 8.360 nan 0.000 0.449 590 G N 1.442 110.216 108.800 -0.045 0.000 2.422 590 G HA2 -0.241 3.717 3.960 -0.003 0.000 0.218 590 G HA3 -0.241 3.717 3.960 -0.003 0.000 0.218 590 G C 1.553 176.436 174.900 -0.027 0.000 1.146 590 G CA 0.438 45.506 45.100 -0.054 0.000 0.769 590 G HN 0.085 nan 8.290 nan 0.000 0.547 591 L N 0.297 121.518 121.223 -0.004 0.000 2.072 591 L HA 0.230 4.568 4.340 -0.003 0.000 0.205 591 L C 2.708 179.574 176.870 -0.007 0.000 1.079 591 L CA 1.122 55.977 54.840 0.026 0.000 0.752 591 L CB -0.460 41.639 42.059 0.066 0.000 0.906 591 L HN 0.177 nan 8.230 nan 0.000 0.436 592 L N -0.821 120.390 121.223 -0.020 0.000 2.191 592 L HA -0.230 4.109 4.340 -0.003 0.000 0.212 592 L C 2.397 179.253 176.870 -0.023 0.000 1.103 592 L CA 1.114 55.936 54.840 -0.029 0.000 0.769 592 L CB -0.488 41.554 42.059 -0.029 0.000 0.908 592 L HN 0.256 nan 8.230 nan 0.000 0.438 593 K N -0.316 120.073 120.400 -0.020 0.000 2.217 593 K HA -0.080 4.238 4.320 -0.003 0.000 0.202 593 K C 1.646 178.237 176.600 -0.015 0.000 1.051 593 K CA 1.400 57.676 56.287 -0.019 0.000 0.952 593 K CB 0.058 32.545 32.500 -0.021 0.000 0.736 593 K HN 0.347 nan 8.250 nan 0.000 0.453 594 V N -2.033 117.875 119.914 -0.010 0.000 3.621 594 V HA 0.155 4.273 4.120 -0.003 0.000 0.285 594 V C 0.561 176.658 176.094 0.004 0.000 1.346 594 V CA -0.496 61.803 62.300 -0.003 0.000 1.104 594 V CB 0.075 31.900 31.823 0.003 0.000 0.913 594 V HN -0.207 nan 8.190 nan 0.000 0.432 595 V N 2.887 122.797 119.914 -0.006 0.000 2.614 595 V HA 0.319 4.438 4.120 -0.003 0.000 0.291 595 V C 0.775 176.873 176.094 0.008 0.000 1.049 595 V CA -0.446 61.849 62.300 -0.009 0.000 1.038 595 V CB 0.844 32.646 31.823 -0.035 0.000 0.980 595 V HN 0.485 nan 8.190 nan 0.000 0.481 596 R N 7.035 127.558 120.500 0.039 0.000 2.351 596 R HA 0.160 4.498 4.340 -0.003 0.000 0.318 596 R C -1.490 174.827 176.300 0.027 0.000 1.055 596 R CA -1.557 54.574 56.100 0.051 0.000 0.968 596 R CB 0.606 30.985 30.300 0.132 0.000 0.974 596 R HN 0.529 nan 8.270 nan 0.000 0.439 597 P HA -0.193 nan 4.420 nan 0.000 0.221 597 P C 0.386 177.691 177.300 0.009 0.000 1.145 597 P CA 1.301 64.403 63.100 0.003 0.000 0.795 597 P CB 0.326 32.025 31.700 -0.002 0.000 0.775 598 D N -0.271 120.144 120.400 0.024 0.000 2.201 598 D HA -0.079 4.559 4.640 -0.003 0.000 0.209 598 D C 1.612 177.928 176.300 0.026 0.000 0.961 598 D CA 1.747 55.763 54.000 0.027 0.000 0.861 598 D CB -1.266 39.559 40.800 0.041 0.000 0.997 598 D HN 0.233 nan 8.370 nan 0.000 0.486 599 T N -3.088 111.492 114.554 0.043 0.000 3.022 599 T HA 0.136 4.484 4.350 -0.003 0.000 0.250 599 T C 0.686 175.384 174.700 -0.003 0.000 1.060 599 T CA -0.271 61.844 62.100 0.025 0.000 1.013 599 T CB 0.154 69.059 68.868 0.061 0.000 0.982 599 T HN -0.122 nan 8.240 nan 0.000 0.508 600 K N 0.751 121.151 120.400 -0.000 0.000 3.129 600 K HA -0.116 4.202 4.320 -0.003 0.000 0.273 600 K C -0.500 176.070 176.600 -0.051 0.000 1.123 600 K CA 0.758 57.028 56.287 -0.028 0.000 0.800 600 K CB -1.979 30.497 32.500 -0.040 0.000 1.238 600 K HN 0.588 nan 8.250 nan 0.000 0.492 601 K N 0.188 120.563 120.400 -0.040 0.000 2.208 601 K HA 0.570 4.888 4.320 -0.003 0.000 0.247 601 K C 0.189 176.704 176.600 -0.141 0.000 0.953 601 K CA -0.880 55.328 56.287 -0.132 0.000 0.837 601 K CB 2.226 34.584 32.500 -0.236 0.000 1.131 601 K HN 0.024 nan 8.250 nan 0.000 0.431 602 V N -0.791 119.003 119.914 -0.200 0.000 2.459 602 V HA 0.413 4.531 4.120 -0.003 0.000 0.295 602 V C -0.579 175.335 176.094 -0.301 0.000 1.029 602 V CA -0.644 61.585 62.300 -0.118 0.000 0.874 602 V CB 1.365 33.198 31.823 0.016 0.000 0.985 602 V HN 0.719 nan 8.190 nan 0.000 0.438 603 H N 2.682 121.683 119.070 -0.115 0.000 2.697 603 H HA 0.363 4.917 4.556 -0.003 0.000 0.270 603 H C 0.354 175.588 175.328 -0.156 0.000 1.188 603 H CA -0.181 55.715 56.048 -0.253 0.000 1.322 603 H CB 1.589 30.942 29.762 -0.682 0.000 1.405 603 H HN 0.876 nan 8.280 nan 0.000 0.502 604 T N 2.594 117.132 114.554 -0.027 0.000 2.748 604 T HA 0.313 4.661 4.350 -0.003 0.000 0.304 604 T C 0.557 175.255 174.700 -0.004 0.000 1.041 604 T CA -0.251 61.788 62.100 -0.102 0.000 1.033 604 T CB 0.314 68.966 68.868 -0.360 0.000 0.995 604 T HN 0.421 nan 8.240 nan 0.000 0.536 605 I N 2.719 123.215 120.570 -0.123 0.000 2.447 605 I HA 0.318 4.486 4.170 -0.003 0.000 0.287 605 I C -0.953 175.099 176.117 -0.108 0.000 1.023 605 I CA -0.705 60.571 61.300 -0.041 0.000 1.083 605 I CB 1.434 39.338 38.000 -0.160 0.000 1.245 605 I HN 0.563 nan 8.210 nan 0.000 0.434 606 F N 4.981 125.004 119.950 0.121 0.000 2.413 606 F HA 0.225 4.750 4.527 -0.003 0.000 0.359 606 F C 0.946 176.781 175.800 0.059 0.000 1.122 606 F CA -0.366 57.683 58.000 0.081 0.000 1.160 606 F CB 0.425 39.469 39.000 0.074 0.000 1.146 606 F HN 0.438 nan 8.300 nan 0.000 0.514 607 N N 3.905 122.717 118.700 0.187 0.000 2.405 607 N HA -0.027 4.711 4.740 -0.003 0.000 0.260 607 N C 0.619 176.152 175.510 0.037 0.000 1.152 607 N CA 0.314 53.416 53.050 0.088 0.000 0.948 607 N CB 0.888 39.406 38.487 0.052 0.000 1.111 607 N HN 0.765 nan 8.380 nan 0.000 0.485 608 Q N 2.820 122.594 119.800 -0.043 0.000 2.392 608 Q HA 0.170 4.508 4.340 -0.003 0.000 0.203 608 Q C -0.182 175.516 176.000 -0.504 0.000 0.917 608 Q CA 0.219 55.934 55.803 -0.147 0.000 0.939 608 Q CB 0.348 29.027 28.738 -0.099 0.000 1.063 608 Q HN 0.631 nan 8.270 nan 0.000 0.516 609 A N 0.569 123.036 122.820 -0.588 0.000 2.956 609 A HA 0.326 4.644 4.320 -0.003 0.000 0.294 609 A C 0.124 177.344 177.584 -0.607 0.000 0.993 609 A CA -0.353 50.989 52.037 -1.158 0.000 1.032 609 A CB 0.140 18.783 19.000 -0.595 0.000 1.129 609 A HN 0.447 nan 8.150 nan 0.000 0.505 610 L N -0.547 120.475 121.223 -0.335 0.000 2.638 610 L HA 0.247 4.585 4.340 -0.003 0.000 0.195 610 L C 1.336 178.334 176.870 0.213 0.000 1.065 610 L CA 1.030 55.889 54.840 0.032 0.000 0.859 610 L CB 0.388 42.467 42.059 0.035 0.000 1.269 610 L HN 0.414 nan 8.230 nan 0.000 0.484 611 T N -1.390 113.292 114.554 0.212 0.000 2.932 611 T HA -0.006 4.342 4.350 -0.003 0.000 0.312 611 T C 0.770 175.629 174.700 0.265 0.000 1.071 611 T CA -0.335 61.896 62.100 0.219 0.000 1.128 611 T CB 0.852 69.825 68.868 0.176 0.000 0.984 611 T HN 0.271 nan 8.240 nan 0.000 0.549 612 Q N 1.744 121.632 119.800 0.146 0.000 2.472 612 Q HA 0.018 4.356 4.340 -0.003 0.000 0.208 612 Q C 2.151 178.172 176.000 0.035 0.000 0.958 612 Q CA 1.387 57.236 55.803 0.078 0.000 0.932 612 Q CB -0.260 28.503 28.738 0.041 0.000 1.007 612 Q HN 1.040 nan 8.270 nan 0.000 0.508 613 T N -5.125 109.469 114.554 0.067 0.000 3.001 613 T HA 0.398 4.746 4.350 -0.003 0.000 0.251 613 T C 1.302 176.042 174.700 0.066 0.000 1.040 613 T CA 0.615 62.742 62.100 0.046 0.000 0.985 613 T CB 0.783 69.679 68.868 0.047 0.000 1.011 613 T HN 0.292 nan 8.240 nan 0.000 0.509 614 G N 1.464 110.350 108.800 0.143 0.000 2.184 614 G HA2 -0.190 3.768 3.960 -0.003 0.000 0.206 614 G HA3 -0.190 3.768 3.960 -0.003 0.000 0.206 614 G C 0.210 175.227 174.900 0.195 0.000 0.995 614 G CA -0.385 44.828 45.100 0.189 0.000 0.651 614 G HN 0.615 nan 8.290 nan 0.000 0.511 615 R N -0.216 120.387 120.500 0.172 0.000 2.707 615 R HA 0.631 4.970 4.340 -0.003 0.000 0.270 615 R C 0.773 177.195 176.300 0.204 0.000 1.083 615 R CA -0.200 56.011 56.100 0.186 0.000 1.182 615 R CB 0.381 30.773 30.300 0.153 0.000 1.084 615 R HN 0.271 nan 8.270 nan 0.000 0.528 616 L N 0.177 121.538 121.223 0.230 0.000 2.431 616 L HA 0.386 4.724 4.340 -0.003 0.000 0.260 616 L C 0.421 177.462 176.870 0.286 0.000 1.098 616 L CA -0.444 54.522 54.840 0.210 0.000 0.800 616 L CB 1.490 43.659 42.059 0.183 0.000 1.210 616 L HN 0.720 nan 8.230 nan 0.000 0.465 617 S N -0.678 115.176 115.700 0.256 0.000 2.634 617 S HA 0.707 5.176 4.470 -0.003 0.000 0.296 617 S C -0.808 173.915 174.600 0.204 0.000 1.104 617 S CA -0.719 57.619 58.200 0.231 0.000 0.920 617 S CB 2.001 65.293 63.200 0.154 0.000 1.111 617 S HN 0.528 nan 8.310 nan 0.000 0.493 618 S N 0.611 116.373 115.700 0.104 0.000 2.538 618 S HA 0.831 5.299 4.470 -0.003 0.000 0.288 618 S C -0.809 173.757 174.600 -0.057 0.000 1.108 618 S CA -0.221 57.934 58.200 -0.075 0.000 0.971 618 S CB 1.208 64.320 63.200 -0.147 0.000 1.041 618 S HN 1.374 nan 8.310 nan 0.000 0.483 619 T N 0.562 115.055 114.554 -0.102 0.000 2.864 619 T HA 0.606 4.954 4.350 -0.003 0.000 0.299 619 T C -0.877 173.785 174.700 -0.064 0.000 1.166 619 T CA -0.831 61.236 62.100 -0.055 0.000 1.007 619 T CB 1.069 69.918 68.868 -0.033 0.000 1.219 619 T HN 0.698 nan 8.240 nan 0.000 0.506 620 E N 1.176 121.355 120.200 -0.036 0.000 2.197 620 E HA -0.137 4.211 4.350 -0.003 0.000 0.184 620 E C -2.338 174.255 176.600 -0.012 0.000 1.439 620 E CA 0.226 56.612 56.400 -0.024 0.000 0.688 620 E CB -1.114 28.569 29.700 -0.029 0.000 1.090 620 E HN 0.600 nan 8.360 nan 0.000 0.341 621 P HA 0.115 nan 4.420 nan 0.000 0.285 621 P C -0.644 176.654 177.300 -0.003 0.000 1.285 621 P CA -0.735 62.374 63.100 0.015 0.000 0.854 621 P CB 0.910 32.655 31.700 0.074 0.000 1.180 622 N N 1.298 120.011 118.700 0.021 0.000 2.401 622 N HA 0.057 4.795 4.740 -0.003 0.000 0.255 622 N C 0.169 175.729 175.510 0.083 0.000 1.110 622 N CA -0.039 53.029 53.050 0.030 0.000 0.949 622 N CB -0.514 38.008 38.487 0.058 0.000 1.110 622 N HN 0.162 nan 8.380 nan 0.000 0.490 623 L N 3.067 124.314 121.223 0.041 0.000 2.653 623 L HA 0.235 4.573 4.340 -0.003 0.000 0.231 623 L C 1.294 178.260 176.870 0.160 0.000 1.153 623 L CA 0.646 55.544 54.840 0.096 0.000 0.933 623 L CB -0.391 41.672 42.059 0.007 0.000 1.175 623 L HN 0.650 nan 8.230 nan 0.000 0.473 624 Q N -0.130 119.751 119.800 0.134 0.000 2.247 624 Q HA 0.150 4.488 4.340 -0.003 0.000 0.204 624 Q C 0.365 176.463 176.000 0.163 0.000 0.872 624 Q CA 0.046 55.928 55.803 0.131 0.000 0.951 624 Q CB 0.383 29.163 28.738 0.071 0.000 1.099 624 Q HN 0.452 nan 8.270 nan 0.000 0.501 625 N N -0.292 118.511 118.700 0.173 0.000 2.466 625 N HA 0.067 4.805 4.740 -0.003 0.000 0.272 625 N C -0.589 175.013 175.510 0.154 0.000 1.455 625 N CA -0.223 52.931 53.050 0.173 0.000 0.875 625 N CB 0.374 38.983 38.487 0.204 0.000 1.372 625 N HN -0.063 nan 8.380 nan 0.000 0.492 626 I N 1.708 122.301 120.570 0.039 0.000 2.556 626 I HA 0.264 4.432 4.170 -0.003 0.000 0.284 626 I C -1.816 174.088 176.117 -0.354 0.000 1.114 626 I CA -1.883 59.314 61.300 -0.172 0.000 1.418 626 I CB -0.062 37.763 38.000 -0.292 0.000 1.394 626 I HN -0.082 nan 8.210 nan 0.000 0.552 627 P HA 0.085 nan 4.420 nan 0.000 0.264 627 P C 0.625 177.748 177.300 -0.296 0.000 1.179 627 P CA 0.477 63.339 63.100 -0.397 0.000 0.763 627 P CB 1.036 32.453 31.700 -0.472 0.000 0.806 628 I N 0.955 121.401 120.570 -0.205 0.000 5.362 628 I HA 0.086 4.254 4.170 -0.003 0.000 0.359 628 I C 1.902 177.948 176.117 -0.119 0.000 1.172 628 I CA -0.075 61.116 61.300 -0.183 0.000 1.577 628 I CB 0.189 38.063 38.000 -0.210 0.000 1.845 628 I HN 0.101 nan 8.210 nan 0.000 0.632 629 R N 1.230 121.676 120.500 -0.090 0.000 2.073 629 R HA 0.047 4.385 4.340 -0.003 0.000 0.234 629 R C 0.312 176.581 176.300 -0.052 0.000 1.134 629 R CA 1.137 57.202 56.100 -0.059 0.000 0.952 629 R CB 0.052 30.327 30.300 -0.042 0.000 0.850 629 R HN 0.240 nan 8.270 nan 0.000 0.433 630 L N 1.091 122.283 121.223 -0.052 0.000 2.295 630 L HA 0.149 4.487 4.340 -0.003 0.000 0.285 630 L C 1.008 177.860 176.870 -0.029 0.000 1.035 630 L CA -0.563 54.256 54.840 -0.035 0.000 0.806 630 L CB 1.704 43.747 42.059 -0.026 0.000 1.214 630 L HN 0.117 nan 8.230 nan 0.000 0.426 631 E N 2.249 122.442 120.200 -0.011 0.000 2.114 631 E HA -0.269 4.079 4.350 -0.003 0.000 0.199 631 E C 1.493 178.104 176.600 0.018 0.000 1.008 631 E CA 2.096 58.508 56.400 0.021 0.000 0.810 631 E CB 0.259 29.974 29.700 0.024 0.000 0.739 631 E HN 0.673 nan 8.360 nan 0.000 0.456 632 E N -0.751 119.449 120.200 0.001 0.000 2.070 632 E HA -0.118 4.231 4.350 -0.003 0.000 0.197 632 E C 2.113 178.698 176.600 -0.025 0.000 1.004 632 E CA 1.478 57.876 56.400 -0.004 0.000 0.805 632 E CB -0.812 28.897 29.700 0.016 0.000 0.744 632 E HN 0.424 nan 8.360 nan 0.000 0.451 633 G N 0.290 109.062 108.800 -0.046 0.000 2.430 633 G HA2 -0.252 3.707 3.960 -0.003 0.000 0.216 633 G HA3 -0.252 3.707 3.960 -0.003 0.000 0.216 633 G C 1.540 176.373 174.900 -0.111 0.000 1.146 633 G CA 0.428 45.468 45.100 -0.101 0.000 0.793 633 G HN 0.119 nan 8.290 nan 0.000 0.537 634 R N 0.665 121.130 120.500 -0.058 0.000 2.127 634 R HA -0.054 4.284 4.340 -0.003 0.000 0.238 634 R C 2.261 178.620 176.300 0.099 0.000 1.134 634 R CA 1.412 57.510 56.100 -0.004 0.000 0.975 634 R CB -0.195 30.139 30.300 0.058 0.000 0.865 634 R HN 0.239 nan 8.270 nan 0.000 0.447 635 K N 0.183 120.591 120.400 0.013 0.000 2.360 635 K HA -0.109 4.209 4.320 -0.003 0.000 0.201 635 K C 1.801 178.346 176.600 -0.092 0.000 1.046 635 K CA 0.742 56.934 56.287 -0.158 0.000 0.940 635 K CB -0.016 32.377 32.500 -0.177 0.000 0.748 635 K HN 0.230 nan 8.250 nan 0.000 0.465 636 I N 1.171 121.723 120.570 -0.030 0.000 2.264 636 I HA -0.270 3.898 4.170 -0.003 0.000 0.248 636 I C 1.893 178.106 176.117 0.161 0.000 1.111 636 I CA 1.512 62.834 61.300 0.037 0.000 1.382 636 I CB -0.744 37.269 38.000 0.021 0.000 1.060 636 I HN 0.200 nan 8.210 nan 0.000 0.418 637 R N 0.467 121.049 120.500 0.136 0.000 2.241 637 R HA -0.143 4.196 4.340 -0.003 0.000 0.224 637 R C 1.995 178.516 176.300 0.368 0.000 1.101 637 R CA 0.616 56.876 56.100 0.266 0.000 0.995 637 R CB -0.199 30.044 30.300 -0.094 0.000 0.870 637 R HN 0.562 nan 8.270 nan 0.000 0.463 638 Q N -0.132 119.763 119.800 0.158 0.000 2.364 638 Q HA -0.029 4.309 4.340 -0.003 0.000 0.207 638 Q C 1.797 177.858 176.000 0.101 0.000 0.970 638 Q CA 1.090 56.942 55.803 0.081 0.000 0.888 638 Q CB 0.127 28.765 28.738 -0.167 0.000 0.951 638 Q HN 0.336 nan 8.270 nan 0.000 0.469 639 A N 0.149 123.024 122.820 0.091 0.000 2.169 639 A HA 0.042 4.361 4.320 -0.003 0.000 0.212 639 A C 0.192 177.694 177.584 -0.137 0.000 1.153 639 A CA 0.163 52.161 52.037 -0.065 0.000 0.756 639 A CB 0.079 18.966 19.000 -0.189 0.000 0.813 639 A HN 0.171 nan 8.150 nan 0.000 0.471 640 F N 0.540 120.604 119.950 0.190 0.000 2.371 640 F HA 0.461 4.986 4.527 -0.003 0.000 0.363 640 F C 0.348 176.257 175.800 0.181 0.000 1.122 640 F CA -0.531 57.597 58.000 0.213 0.000 1.129 640 F CB 1.439 40.681 39.000 0.403 0.000 1.173 640 F HN 0.065 nan 8.300 nan 0.000 0.489 641 V N 1.667 121.711 119.914 0.216 0.000 3.126 641 V HA 0.756 4.875 4.120 -0.003 0.000 0.314 641 V C -2.864 173.305 176.094 0.125 0.000 1.138 641 V CA -3.252 59.146 62.300 0.163 0.000 1.034 641 V CB 1.870 33.750 31.823 0.096 0.000 1.075 641 V HN 0.328 nan 8.190 nan 0.000 0.442 642 P HA 0.220 nan 4.420 nan 0.000 0.269 642 P C 0.674 177.976 177.300 0.004 0.000 1.215 642 P CA 0.264 63.432 63.100 0.115 0.000 0.780 642 P CB 0.750 32.570 31.700 0.200 0.000 0.898 643 S N -0.328 115.321 115.700 -0.084 0.000 2.562 643 S HA 0.061 4.529 4.470 -0.003 0.000 0.221 643 S C 0.364 174.769 174.600 -0.325 0.000 0.975 643 S CA 0.369 58.456 58.200 -0.188 0.000 0.918 643 S CB -0.387 62.694 63.200 -0.198 0.000 0.772 643 S HN 0.467 nan 8.310 nan 0.000 0.531 644 E N 0.660 120.589 120.200 -0.452 0.000 2.393 644 E HA 0.467 4.815 4.350 -0.003 0.000 0.273 644 E C -1.174 175.290 176.600 -0.227 0.000 0.918 644 E CA -0.823 55.263 56.400 -0.524 0.000 0.773 644 E CB 2.055 31.058 29.700 -1.162 0.000 1.275 644 E HN 0.107 nan 8.360 nan 0.000 0.451 645 S N 1.703 117.339 115.700 -0.106 0.000 2.562 645 S HA 0.040 4.508 4.470 -0.003 0.000 0.281 645 S C -0.117 174.587 174.600 0.174 0.000 1.333 645 S CA -0.067 58.153 58.200 0.034 0.000 1.052 645 S CB 0.138 63.353 63.200 0.025 0.000 0.884 645 S HN 0.657 nan 8.310 nan 0.000 0.506 646 D N -0.563 119.948 120.400 0.185 0.000 3.041 646 D HA -0.133 4.505 4.640 -0.003 0.000 0.220 646 D C -0.909 175.581 176.300 0.318 0.000 1.157 646 D CA 1.017 55.145 54.000 0.214 0.000 0.876 646 D CB -1.097 39.805 40.800 0.171 0.000 1.107 646 D HN 0.530 nan 8.370 nan 0.000 0.422 647 W N 0.102 121.407 121.300 0.008 0.000 2.576 647 W HA 0.731 5.389 4.660 -0.003 0.000 0.360 647 W C 0.558 177.092 176.519 0.025 0.000 1.109 647 W CA -0.410 56.932 57.345 -0.006 0.000 1.237 647 W CB 0.766 30.212 29.460 -0.023 0.000 1.369 647 W HN -0.178 nan 8.180 nan 0.000 0.609 648 L N 2.764 124.111 121.223 0.206 0.000 2.359 648 L HA 0.498 4.837 4.340 -0.003 0.000 0.256 648 L C -0.690 176.300 176.870 0.200 0.000 1.026 648 L CA -1.349 53.610 54.840 0.198 0.000 0.828 648 L CB 1.740 43.909 42.059 0.183 0.000 1.406 648 L HN -0.001 nan 8.230 nan 0.000 0.413 649 I N 1.507 122.215 120.570 0.231 0.000 2.342 649 I HA 0.267 4.435 4.170 -0.003 0.000 0.291 649 I C -0.657 175.629 176.117 0.281 0.000 1.010 649 I CA 0.056 61.482 61.300 0.210 0.000 1.308 649 I CB 0.950 39.066 38.000 0.192 0.000 1.400 649 I HN 0.349 nan 8.210 nan 0.000 0.488 650 F N 5.884 125.886 119.950 0.086 0.000 2.449 650 F HA 0.711 5.236 4.527 -0.003 0.000 0.342 650 F C -0.322 175.532 175.800 0.090 0.000 1.127 650 F CA -0.499 57.572 58.000 0.120 0.000 0.975 650 F CB 1.422 40.430 39.000 0.013 0.000 1.146 650 F HN 0.505 nan 8.300 nan 0.000 0.444 651 A N 4.835 127.548 122.820 -0.179 0.000 2.330 651 A HA 0.891 5.209 4.320 -0.003 0.000 0.313 651 A C -1.390 176.106 177.584 -0.146 0.000 1.124 651 A CA -0.350 51.667 52.037 -0.034 0.000 0.774 651 A CB 0.909 19.980 19.000 0.118 0.000 1.198 651 A HN 1.132 nan 8.150 nan 0.000 0.465 652 A N 3.068 125.890 122.820 0.003 0.000 2.343 652 A HA 0.781 5.099 4.320 -0.003 0.000 0.316 652 A C -1.063 176.510 177.584 -0.018 0.000 1.104 652 A CA -0.502 51.538 52.037 0.004 0.000 0.768 652 A CB 0.946 20.007 19.000 0.101 0.000 1.213 652 A HN 0.910 nan 8.150 nan 0.000 0.456 653 D N 1.417 121.799 120.400 -0.031 0.000 2.738 653 D HA 0.378 5.016 4.640 -0.003 0.000 0.237 653 D C -1.256 175.026 176.300 -0.030 0.000 1.123 653 D CA -0.315 53.681 54.000 -0.006 0.000 0.856 653 D CB 0.883 41.733 40.800 0.082 0.000 1.552 653 D HN 0.417 nan 8.370 nan 0.000 0.480 654 Y N 0.489 120.819 120.300 0.050 0.000 2.411 654 Y HA 0.162 4.710 4.550 -0.003 0.000 0.333 654 Y C 1.446 177.357 175.900 0.019 0.000 1.186 654 Y CA 0.147 58.260 58.100 0.022 0.000 1.381 654 Y CB 1.172 39.633 38.460 0.002 0.000 1.273 654 Y HN 0.314 nan 8.280 nan 0.000 0.546 655 S N 4.272 120.076 115.700 0.174 0.000 2.411 655 S HA 0.116 4.584 4.470 -0.003 0.000 0.294 655 S C -0.412 174.217 174.600 0.049 0.000 1.115 655 S CA -0.731 57.529 58.200 0.101 0.000 1.071 655 S CB 0.028 63.275 63.200 0.079 0.000 0.967 655 S HN 0.720 nan 8.310 nan 0.000 0.488 656 Q N 2.852 122.674 119.800 0.037 0.000 2.451 656 Q HA -0.219 4.119 4.340 -0.003 0.000 0.305 656 Q C 0.657 176.565 176.000 -0.154 0.000 1.345 656 Q CA 0.742 56.525 55.803 -0.034 0.000 0.854 656 Q CB -2.178 26.577 28.738 0.028 0.000 1.162 656 Q HN 0.917 nan 8.270 nan 0.000 0.440 657 I N -0.696 119.811 120.570 -0.106 0.000 2.286 657 I HA -0.277 3.891 4.170 -0.003 0.000 0.248 657 I C 2.055 178.040 176.117 -0.221 0.000 1.115 657 I CA 1.551 62.719 61.300 -0.220 0.000 1.392 657 I CB 0.219 38.045 38.000 -0.290 0.000 1.065 657 I HN 0.359 nan 8.210 nan 0.000 0.418 658 E N 0.486 120.605 120.200 -0.135 0.000 2.077 658 E HA -0.231 4.118 4.350 -0.003 0.000 0.193 658 E C 2.242 178.763 176.600 -0.132 0.000 0.989 658 E CA 1.377 57.714 56.400 -0.106 0.000 0.800 658 E CB -0.119 29.555 29.700 -0.043 0.000 0.746 658 E HN 0.529 nan 8.360 nan 0.000 0.452 659 L N 0.306 121.445 121.223 -0.140 0.000 2.217 659 L HA -0.115 4.223 4.340 -0.003 0.000 0.211 659 L C 2.481 179.234 176.870 -0.195 0.000 1.107 659 L CA 0.795 55.593 54.840 -0.069 0.000 0.783 659 L CB -0.169 41.962 42.059 0.121 0.000 0.919 659 L HN 0.034 nan 8.230 nan 0.000 0.442 660 R N -0.839 119.326 120.500 -0.559 0.000 2.090 660 R HA -0.090 4.248 4.340 -0.003 0.000 0.228 660 R C 2.259 178.378 176.300 -0.300 0.000 1.110 660 R CA 0.899 56.562 56.100 -0.728 0.000 0.973 660 R CB -0.320 29.509 30.300 -0.785 0.000 0.869 660 R HN 0.133 nan 8.270 nan 0.000 0.440 661 V N 1.402 121.172 119.914 -0.240 0.000 2.343 661 V HA -0.221 3.897 4.120 -0.003 0.000 0.247 661 V C 2.141 178.179 176.094 -0.094 0.000 1.051 661 V CA 1.448 63.658 62.300 -0.150 0.000 1.036 661 V CB -0.368 31.364 31.823 -0.151 0.000 0.654 661 V HN 0.245 nan 8.190 nan 0.000 0.451 662 L N 0.922 122.074 121.223 -0.118 0.000 2.046 662 L HA -0.068 4.270 4.340 -0.003 0.000 0.208 662 L C 2.448 179.260 176.870 -0.097 0.000 1.077 662 L CA 2.387 57.139 54.840 -0.147 0.000 0.747 662 L CB -0.997 41.008 42.059 -0.089 0.000 0.896 662 L HN 0.216 nan 8.230 nan 0.000 0.432 663 A N -1.191 121.630 122.820 0.001 0.000 1.908 663 A HA -0.325 3.993 4.320 -0.003 0.000 0.218 663 A C 2.290 179.896 177.584 0.036 0.000 1.181 663 A CA 1.952 54.035 52.037 0.075 0.000 0.627 663 A CB -1.107 18.015 19.000 0.204 0.000 0.818 663 A HN 0.759 nan 8.150 nan 0.000 0.445 664 H N -0.211 118.815 119.070 -0.074 0.000 2.293 664 H HA -0.026 4.528 4.556 -0.003 0.000 0.300 664 H C 1.757 177.032 175.328 -0.087 0.000 1.082 664 H CA 2.131 58.135 56.048 -0.073 0.000 1.308 664 H CB -0.238 29.467 29.762 -0.096 0.000 1.375 664 H HN 0.403 nan 8.280 nan 0.000 0.495 665 I N 0.097 120.582 120.570 -0.143 0.000 2.315 665 I HA -0.173 3.995 4.170 -0.003 0.000 0.248 665 I C 2.495 178.458 176.117 -0.257 0.000 1.117 665 I CA 1.040 62.198 61.300 -0.237 0.000 1.404 665 I CB -0.359 37.482 38.000 -0.265 0.000 1.071 665 I HN 0.443 nan 8.210 nan 0.000 0.419 666 A N -0.369 122.290 122.820 -0.268 0.000 2.123 666 A HA -0.055 4.263 4.320 -0.003 0.000 0.214 666 A C 1.095 178.668 177.584 -0.019 0.000 1.152 666 A CA 0.244 52.221 52.037 -0.100 0.000 0.728 666 A CB -0.245 18.727 19.000 -0.046 0.000 0.814 666 A HN 0.492 nan 8.150 nan 0.000 0.464 667 E N 0.413 120.576 120.200 -0.061 0.000 2.389 667 E HA -0.185 4.163 4.350 -0.003 0.000 0.243 667 E C -0.631 175.983 176.600 0.024 0.000 1.154 667 E CA 0.629 57.007 56.400 -0.035 0.000 0.723 667 E CB -1.319 28.350 29.700 -0.051 0.000 1.261 667 E HN 0.733 nan 8.360 nan 0.000 0.390 668 D N 0.575 121.012 120.400 0.061 0.000 2.339 668 D HA -0.012 4.627 4.640 -0.003 0.000 0.256 668 D C 0.800 177.156 176.300 0.094 0.000 1.214 668 D CA -0.177 53.886 54.000 0.106 0.000 0.877 668 D CB 0.738 41.650 40.800 0.186 0.000 1.111 668 D HN 0.037 nan 8.370 nan 0.000 0.478 669 D N 3.430 123.865 120.400 0.057 0.000 2.123 669 D HA -0.201 4.437 4.640 -0.003 0.000 0.196 669 D C 1.483 177.804 176.300 0.035 0.000 0.992 669 D CA 1.004 55.024 54.000 0.034 0.000 0.833 669 D CB 0.086 40.889 40.800 0.005 0.000 0.954 669 D HN 0.483 nan 8.370 nan 0.000 0.455 670 N N 0.373 119.085 118.700 0.021 0.000 2.106 670 N HA -0.125 4.614 4.740 -0.003 0.000 0.188 670 N C 1.740 177.324 175.510 0.123 0.000 1.029 670 N CA 0.530 53.569 53.050 -0.018 0.000 0.848 670 N CB -0.400 37.937 38.487 -0.250 0.000 1.007 670 N HN 0.040 nan 8.380 nan 0.000 0.423 671 L N 0.422 121.821 121.223 0.293 0.000 2.083 671 L HA 0.046 4.384 4.340 -0.003 0.000 0.209 671 L C 2.162 179.135 176.870 0.171 0.000 1.083 671 L CA 1.417 56.403 54.840 0.243 0.000 0.752 671 L CB -0.446 41.736 42.059 0.204 0.000 0.899 671 L HN 0.285 nan 8.230 nan 0.000 0.433 672 M N -1.257 118.444 119.600 0.168 0.000 2.132 672 M HA -0.188 4.290 4.480 -0.003 0.000 0.263 672 M C 2.154 178.529 176.300 0.126 0.000 1.065 672 M CA 1.750 57.153 55.300 0.172 0.000 1.122 672 M CB -0.384 32.283 32.600 0.112 0.000 1.365 672 M HN 0.214 nan 8.290 nan 0.000 0.411 673 E N 0.965 121.205 120.200 0.066 0.000 2.110 673 E HA -0.141 4.207 4.350 -0.003 0.000 0.193 673 E C 1.800 178.401 176.600 0.001 0.000 0.988 673 E CA 1.813 58.230 56.400 0.029 0.000 0.804 673 E CB -0.146 29.555 29.700 0.002 0.000 0.745 673 E HN 0.390 nan 8.360 nan 0.000 0.458 674 A N -0.215 122.575 122.820 -0.049 0.000 1.883 674 A HA -0.141 4.177 4.320 -0.003 0.000 0.217 674 A C 2.156 179.620 177.584 -0.201 0.000 1.186 674 A CA 1.573 53.506 52.037 -0.173 0.000 0.624 674 A CB -1.029 17.790 19.000 -0.301 0.000 0.822 674 A HN 0.412 nan 8.150 nan 0.000 0.444 675 F N -0.644 119.310 119.950 0.006 0.000 2.325 675 F HA -0.040 4.486 4.527 -0.003 0.000 0.299 675 F C 2.567 178.368 175.800 0.001 0.000 1.090 675 F CA 1.010 59.007 58.000 -0.006 0.000 1.392 675 F CB -0.072 38.921 39.000 -0.011 0.000 1.053 675 F HN 0.090 nan 8.300 nan 0.000 0.521 676 R N 0.116 120.713 120.500 0.161 0.000 2.148 676 R HA -0.058 4.280 4.340 -0.003 0.000 0.227 676 R C 1.759 178.097 176.300 0.063 0.000 1.103 676 R CA 0.912 57.071 56.100 0.099 0.000 0.983 676 R CB -0.178 30.164 30.300 0.071 0.000 0.874 676 R HN 0.247 nan 8.270 nan 0.000 0.451 677 R N 0.262 120.785 120.500 0.039 0.000 2.317 677 R HA -0.013 4.325 4.340 -0.003 0.000 0.208 677 R C -0.118 176.193 176.300 0.020 0.000 0.914 677 R CA 0.180 56.290 56.100 0.016 0.000 1.060 677 R CB 0.110 30.404 30.300 -0.011 0.000 1.015 677 R HN 0.051 nan 8.270 nan 0.000 0.498 678 D N 1.114 121.545 120.400 0.052 0.000 2.708 678 D HA -0.169 4.470 4.640 -0.003 0.000 0.236 678 D C -0.693 175.614 176.300 0.012 0.000 1.146 678 D CA 0.537 54.580 54.000 0.072 0.000 0.662 678 D CB -0.993 39.848 40.800 0.068 0.000 1.059 678 D HN 0.190 nan 8.370 nan 0.000 0.428 679 L N -0.137 121.052 121.223 -0.056 0.000 2.472 679 L HA 0.204 4.542 4.340 -0.003 0.000 0.260 679 L C 1.176 177.983 176.870 -0.106 0.000 1.209 679 L CA -0.412 54.376 54.840 -0.086 0.000 0.817 679 L CB 0.269 42.255 42.059 -0.123 0.000 1.106 679 L HN 0.105 nan 8.230 nan 0.000 0.479 680 D N 1.375 121.727 120.400 -0.080 0.000 2.342 680 D HA -0.021 4.617 4.640 -0.003 0.000 0.260 680 D C 0.747 176.954 176.300 -0.154 0.000 1.278 680 D CA -0.114 53.837 54.000 -0.082 0.000 0.910 680 D CB 0.835 41.619 40.800 -0.027 0.000 1.079 680 D HN 0.392 nan 8.370 nan 0.000 0.496 681 I N 5.134 125.537 120.570 -0.278 0.000 2.335 681 I HA -0.257 3.911 4.170 -0.003 0.000 0.251 681 I C 1.681 177.637 176.117 -0.268 0.000 1.129 681 I CA 1.492 62.564 61.300 -0.379 0.000 1.402 681 I CB -0.228 37.476 38.000 -0.493 0.000 1.069 681 I HN 0.496 nan 8.210 nan 0.000 0.424 682 H N -0.709 118.327 119.070 -0.057 0.000 2.395 682 H HA 0.017 4.571 4.556 -0.003 0.000 0.299 682 H C 2.203 177.527 175.328 -0.007 0.000 1.070 682 H CA 1.768 57.797 56.048 -0.032 0.000 1.356 682 H CB -0.890 28.866 29.762 -0.011 0.000 1.401 682 H HN 0.280 nan 8.280 nan 0.000 0.524 683 T N 1.246 115.856 114.554 0.093 0.000 2.777 683 T HA -0.130 4.218 4.350 -0.003 0.000 0.266 683 T C 2.106 176.828 174.700 0.036 0.000 1.040 683 T CA 1.675 63.813 62.100 0.064 0.000 1.141 683 T CB 0.084 68.973 68.868 0.035 0.000 0.868 683 T HN 0.175 nan 8.240 nan 0.000 0.444 684 K N 1.342 121.739 120.400 -0.006 0.000 2.057 684 K HA -0.069 4.249 4.320 -0.003 0.000 0.207 684 K C 2.208 178.827 176.600 0.032 0.000 1.049 684 K CA 1.772 58.050 56.287 -0.014 0.000 0.931 684 K CB -0.993 31.468 32.500 -0.066 0.000 0.714 684 K HN 0.214 nan 8.250 nan 0.000 0.440 685 T N 0.449 115.039 114.554 0.061 0.000 2.746 685 T HA -0.074 4.274 4.350 -0.003 0.000 0.267 685 T C 1.814 176.508 174.700 -0.009 0.000 1.039 685 T CA 1.412 63.578 62.100 0.110 0.000 1.142 685 T CB -0.530 68.402 68.868 0.107 0.000 0.866 685 T HN 0.409 nan 8.240 nan 0.000 0.444 686 A N 1.423 124.254 122.820 0.018 0.000 1.877 686 A HA -0.082 4.236 4.320 -0.003 0.000 0.216 686 A C 2.340 179.972 177.584 0.080 0.000 1.186 686 A CA 1.622 53.700 52.037 0.069 0.000 0.620 686 A CB -0.729 18.424 19.000 0.254 0.000 0.822 686 A HN 0.453 nan 8.150 nan 0.000 0.443 687 M N -0.520 119.115 119.600 0.059 0.000 2.108 687 M HA -0.193 4.285 4.480 -0.003 0.000 0.261 687 M C 1.570 177.855 176.300 -0.026 0.000 1.066 687 M CA 1.858 57.179 55.300 0.035 0.000 1.107 687 M CB -0.532 32.071 32.600 0.005 0.000 1.356 687 M HN 0.348 nan 8.290 nan 0.000 0.406 688 D N 0.472 120.821 120.400 -0.086 0.000 2.091 688 D HA -0.080 4.558 4.640 -0.003 0.000 0.199 688 D C 1.881 178.069 176.300 -0.188 0.000 0.980 688 D CA 1.444 55.348 54.000 -0.161 0.000 0.831 688 D CB -0.400 40.242 40.800 -0.262 0.000 0.987 688 D HN 0.540 nan 8.370 nan 0.000 0.460 689 I N -2.637 117.764 120.570 -0.283 0.000 2.676 689 I HA -0.072 4.096 4.170 -0.003 0.000 0.259 689 I C 1.188 177.053 176.117 -0.420 0.000 1.194 689 I CA 1.045 62.102 61.300 -0.406 0.000 1.473 689 I CB -0.279 37.357 38.000 -0.607 0.000 1.096 689 I HN -0.235 nan 8.210 nan 0.000 0.443 690 F N 1.486 121.405 119.950 -0.053 0.000 2.695 690 F HA 0.309 4.834 4.527 -0.003 0.000 0.303 690 F C 0.603 176.390 175.800 -0.022 0.000 1.091 690 F CA -0.729 57.247 58.000 -0.039 0.000 1.300 690 F CB -0.533 38.432 39.000 -0.058 0.000 1.071 690 F HN 0.125 nan 8.300 nan 0.000 0.578 691 Q N 0.752 120.603 119.800 0.085 0.000 2.457 691 Q HA -0.101 4.237 4.340 -0.003 0.000 0.333 691 Q C -0.754 175.280 176.000 0.057 0.000 1.448 691 Q CA 0.455 56.283 55.803 0.043 0.000 0.891 691 Q CB -1.828 26.932 28.738 0.036 0.000 1.142 691 Q HN 0.311 nan 8.270 nan 0.000 0.375 692 V N -3.263 116.686 119.914 0.059 0.000 3.159 692 V HA 0.867 4.986 4.120 -0.003 0.000 0.308 692 V C 0.384 176.494 176.094 0.026 0.000 1.190 692 V CA -0.491 61.836 62.300 0.045 0.000 1.037 692 V CB 2.162 34.021 31.823 0.060 0.000 1.060 692 V HN 0.422 nan 8.190 nan 0.000 0.437 693 S N -0.283 115.425 115.700 0.015 0.000 2.624 693 S HA 0.298 4.766 4.470 -0.003 0.000 0.263 693 S C 0.949 175.555 174.600 0.010 0.000 1.287 693 S CA 0.603 58.806 58.200 0.005 0.000 0.990 693 S CB 1.054 64.254 63.200 0.001 0.000 0.950 693 S HN 1.087 nan 8.310 nan 0.000 0.561 694 E N 0.584 120.786 120.200 0.004 0.000 2.058 694 E HA -0.243 4.106 4.350 -0.003 0.000 0.194 694 E C 0.933 177.538 176.600 0.008 0.000 0.997 694 E CA 1.819 58.223 56.400 0.006 0.000 0.801 694 E CB -0.376 29.323 29.700 -0.001 0.000 0.746 694 E HN 0.773 nan 8.360 nan 0.000 0.450 695 D N 0.330 120.731 120.400 0.003 0.000 2.221 695 D HA -0.145 4.493 4.640 -0.003 0.000 0.204 695 D C 1.136 177.436 176.300 0.001 0.000 0.982 695 D CA 1.072 55.073 54.000 0.001 0.000 0.857 695 D CB -0.020 40.779 40.800 -0.001 0.000 0.934 695 D HN 0.373 nan 8.370 nan 0.000 0.475 696 E N -0.227 119.976 120.200 0.004 0.000 2.489 696 E HA 0.060 4.408 4.350 -0.003 0.000 0.193 696 E C -0.083 176.518 176.600 0.001 0.000 1.057 696 E CA -0.098 56.303 56.400 0.001 0.000 0.866 696 E CB 0.790 30.493 29.700 0.005 0.000 0.916 696 E HN 0.041 nan 8.360 nan 0.000 0.500 697 V N 3.168 123.090 119.914 0.013 0.000 2.446 697 V HA 0.004 4.122 4.120 -0.003 0.000 0.276 697 V C 0.781 176.874 176.094 -0.002 0.000 1.030 697 V CA 0.017 62.329 62.300 0.021 0.000 1.033 697 V CB 0.476 32.327 31.823 0.047 0.000 0.993 697 V HN 0.235 nan 8.190 nan 0.000 0.477 698 T N 3.617 118.152 114.554 -0.030 0.000 2.881 698 T HA 0.370 4.719 4.350 -0.003 0.000 0.278 698 T C -1.717 172.967 174.700 -0.026 0.000 0.982 698 T CA -1.899 60.179 62.100 -0.037 0.000 0.989 698 T CB 1.561 70.391 68.868 -0.063 0.000 1.058 698 T HN 0.356 nan 8.240 nan 0.000 0.529 699 P HA -0.073 nan 4.420 nan 0.000 0.215 699 P C 1.449 178.739 177.300 -0.016 0.000 1.153 699 P CA 0.919 64.013 63.100 -0.011 0.000 0.853 699 P CB -0.038 31.655 31.700 -0.012 0.000 0.788 700 N N -1.295 117.383 118.700 -0.036 0.000 2.166 700 N HA -0.111 4.627 4.740 -0.003 0.000 0.186 700 N C 1.631 177.105 175.510 -0.060 0.000 1.019 700 N CA 1.283 54.308 53.050 -0.042 0.000 0.856 700 N CB -0.568 37.885 38.487 -0.056 0.000 0.993 700 N HN 0.031 nan 8.380 nan 0.000 0.426 701 M N -0.395 119.139 119.600 -0.111 0.000 2.086 701 M HA -0.116 4.362 4.480 -0.003 0.000 0.261 701 M C 2.296 178.661 176.300 0.108 0.000 1.067 701 M CA 1.261 56.476 55.300 -0.142 0.000 1.116 701 M CB -0.193 32.276 32.600 -0.219 0.000 1.348 701 M HN 0.131 nan 8.290 nan 0.000 0.407 702 R N 0.387 120.929 120.500 0.071 0.000 2.081 702 R HA -0.169 4.169 4.340 -0.003 0.000 0.235 702 R C 2.314 178.644 176.300 0.050 0.000 1.131 702 R CA 1.638 57.791 56.100 0.088 0.000 0.960 702 R CB -0.213 30.127 30.300 0.067 0.000 0.856 702 R HN 0.270 nan 8.270 nan 0.000 0.436 703 R N 0.357 120.872 120.500 0.025 0.000 2.081 703 R HA -0.161 4.177 4.340 -0.003 0.000 0.235 703 R C 2.127 178.442 176.300 0.026 0.000 1.131 703 R CA 1.993 58.096 56.100 0.006 0.000 0.960 703 R CB -0.085 30.219 30.300 0.008 0.000 0.856 703 R HN 0.415 nan 8.270 nan 0.000 0.436 704 Q N -0.531 119.309 119.800 0.067 0.000 2.123 704 Q HA -0.057 4.281 4.340 -0.003 0.000 0.199 704 Q C 2.114 178.150 176.000 0.061 0.000 0.966 704 Q CA 1.234 57.099 55.803 0.103 0.000 0.845 704 Q CB 0.007 28.839 28.738 0.157 0.000 0.907 704 Q HN 0.430 nan 8.270 nan 0.000 0.439 705 A N 1.774 124.643 122.820 0.081 0.000 1.933 705 A HA -0.210 4.108 4.320 -0.003 0.000 0.218 705 A C 2.042 179.626 177.584 -0.001 0.000 1.175 705 A CA 1.530 53.570 52.037 0.006 0.000 0.628 705 A CB -0.372 18.667 19.000 0.065 0.000 0.814 705 A HN 0.211 nan 8.150 nan 0.000 0.444 706 K N -0.214 120.152 120.400 -0.057 0.000 2.057 706 K HA -0.067 4.252 4.320 -0.003 0.000 0.207 706 K C 2.079 178.666 176.600 -0.022 0.000 1.049 706 K CA 1.195 57.322 56.287 -0.267 0.000 0.931 706 K CB -0.318 31.881 32.500 -0.502 0.000 0.714 706 K HN 0.351 nan 8.250 nan 0.000 0.440 707 A N 0.570 123.419 122.820 0.049 0.000 1.969 707 A HA -0.069 4.249 4.320 -0.003 0.000 0.218 707 A C 2.147 179.766 177.584 0.058 0.000 1.169 707 A CA 1.338 53.442 52.037 0.111 0.000 0.635 707 A CB -0.386 18.662 19.000 0.079 0.000 0.810 707 A HN 0.178 nan 8.150 nan 0.000 0.445 708 V N 0.828 120.736 119.914 -0.011 0.000 2.358 708 V HA -0.219 3.899 4.120 -0.003 0.000 0.246 708 V C 2.236 178.185 176.094 -0.242 0.000 1.047 708 V CA 1.959 64.192 62.300 -0.112 0.000 1.035 708 V CB -0.899 30.842 31.823 -0.135 0.000 0.658 708 V HN 0.533 nan 8.190 nan 0.000 0.452 709 N N -0.120 118.463 118.700 -0.194 0.000 2.166 709 N HA -0.132 4.606 4.740 -0.003 0.000 0.186 709 N C 1.672 176.972 175.510 -0.349 0.000 1.019 709 N CA 1.466 54.351 53.050 -0.274 0.000 0.856 709 N CB -0.386 38.020 38.487 -0.135 0.000 0.993 709 N HN 0.436 nan 8.380 nan 0.000 0.426 710 F N 0.896 120.678 119.950 -0.281 0.000 2.163 710 F HA 0.036 4.561 4.527 -0.003 0.000 0.297 710 F C 2.531 177.978 175.800 -0.588 0.000 1.094 710 F CA 1.146 58.834 58.000 -0.520 0.000 1.290 710 F CB -0.888 37.828 39.000 -0.473 0.000 1.017 710 F HN 0.054 nan 8.300 nan 0.000 0.483 711 G N 0.411 109.142 108.800 -0.115 0.000 2.418 711 G HA2 -0.217 3.741 3.960 -0.003 0.000 0.217 711 G HA3 -0.217 3.741 3.960 -0.003 0.000 0.217 711 G C 1.730 176.590 174.900 -0.067 0.000 1.158 711 G CA 0.848 45.925 45.100 -0.038 0.000 0.771 711 G HN 0.185 nan 8.290 nan 0.000 0.545 712 I N 0.901 121.340 120.570 -0.218 0.000 2.208 712 I HA -0.120 4.048 4.170 -0.003 0.000 0.245 712 I C 2.941 179.028 176.117 -0.050 0.000 1.097 712 I CA 0.807 61.976 61.300 -0.218 0.000 1.363 712 I CB -1.070 36.614 38.000 -0.527 0.000 1.051 712 I HN 0.047 nan 8.210 nan 0.000 0.413 713 V N -0.086 119.767 119.914 -0.101 0.000 2.453 713 V HA -0.264 3.854 4.120 -0.003 0.000 0.247 713 V C 2.286 178.502 176.094 0.203 0.000 1.048 713 V CA 1.473 63.777 62.300 0.006 0.000 1.049 713 V CB -0.786 30.983 31.823 -0.090 0.000 0.672 713 V HN 0.356 nan 8.190 nan 0.000 0.457 714 Y N 0.412 120.776 120.300 0.105 0.000 2.509 714 Y HA 0.269 4.817 4.550 -0.003 0.000 0.293 714 Y C 1.510 177.481 175.900 0.118 0.000 1.133 714 Y CA 0.158 58.330 58.100 0.119 0.000 1.283 714 Y CB 0.214 38.751 38.460 0.127 0.000 1.001 714 Y HN 0.448 nan 8.280 nan 0.000 0.555 715 G N 1.582 110.536 108.800 0.257 0.000 2.698 715 G HA2 -0.176 3.783 3.960 -0.003 0.000 0.360 715 G HA3 -0.176 3.783 3.960 -0.003 0.000 0.360 715 G C -0.644 174.367 174.900 0.185 0.000 1.005 715 G CA -0.878 44.342 45.100 0.200 0.000 1.293 715 G HN 0.139 nan 8.290 nan 0.000 0.590 716 I N 1.024 121.689 120.570 0.158 0.000 3.087 716 I HA 0.363 4.531 4.170 -0.003 0.000 0.318 716 I C 0.714 176.927 176.117 0.159 0.000 1.209 716 I CA 1.764 63.144 61.300 0.133 0.000 1.460 716 I CB 1.137 39.214 38.000 0.129 0.000 1.306 716 I HN 1.039 nan 8.210 nan 0.000 0.560 717 S N 4.403 120.190 115.700 0.145 0.000 2.626 717 S HA 0.347 4.815 4.470 -0.003 0.000 0.275 717 S C 0.283 174.976 174.600 0.155 0.000 1.175 717 S CA -0.246 58.054 58.200 0.168 0.000 0.982 717 S CB 0.715 64.021 63.200 0.176 0.000 1.093 717 S HN 0.713 nan 8.310 nan 0.000 0.472 718 D N 3.676 124.179 120.400 0.173 0.000 2.123 718 D HA -0.196 4.442 4.640 -0.003 0.000 0.196 718 D C 1.427 177.815 176.300 0.148 0.000 0.992 718 D CA 1.519 55.604 54.000 0.141 0.000 0.833 718 D CB -0.464 40.418 40.800 0.138 0.000 0.954 718 D HN 0.627 nan 8.370 nan 0.000 0.455 719 Y N 1.539 121.884 120.300 0.075 0.000 2.200 719 Y HA 0.032 4.580 4.550 -0.003 0.000 0.290 719 Y C 2.582 178.514 175.900 0.054 0.000 1.137 719 Y CA 1.983 60.120 58.100 0.060 0.000 1.163 719 Y CB -0.606 37.898 38.460 0.073 0.000 0.988 719 Y HN 0.036 nan 8.280 nan 0.000 0.518 720 G N 0.138 108.939 108.800 0.002 0.000 2.408 720 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.217 720 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.217 720 G C 1.566 176.427 174.900 -0.066 0.000 1.150 720 G CA 0.992 46.045 45.100 -0.078 0.000 0.776 720 G HN 0.443 nan 8.290 nan 0.000 0.542 721 L N 1.238 122.461 121.223 0.001 0.000 2.109 721 L HA 0.276 4.614 4.340 -0.003 0.000 0.207 721 L C 3.019 179.883 176.870 -0.011 0.000 1.086 721 L CA 1.861 56.715 54.840 0.023 0.000 0.760 721 L CB -0.658 41.440 42.059 0.065 0.000 0.910 721 L HN 0.219 nan 8.230 nan 0.000 0.437 722 A N -0.769 122.020 122.820 -0.053 0.000 1.883 722 A HA -0.295 4.023 4.320 -0.003 0.000 0.217 722 A C 2.271 179.791 177.584 -0.108 0.000 1.186 722 A CA 1.871 53.864 52.037 -0.073 0.000 0.624 722 A CB -0.773 18.190 19.000 -0.061 0.000 0.822 722 A HN 0.571 nan 8.150 nan 0.000 0.444 723 Q N 0.626 120.296 119.800 -0.215 0.000 2.050 723 Q HA -0.190 4.148 4.340 -0.003 0.000 0.202 723 Q C 1.974 177.915 176.000 -0.098 0.000 0.980 723 Q CA 2.225 57.906 55.803 -0.203 0.000 0.840 723 Q CB -0.514 28.020 28.738 -0.339 0.000 0.898 723 Q HN 0.738 nan 8.270 nan 0.000 0.424 724 N N -0.376 118.279 118.700 -0.074 0.000 2.166 724 N HA -0.133 4.605 4.740 -0.003 0.000 0.186 724 N C 1.155 176.663 175.510 -0.003 0.000 1.019 724 N CA 1.263 54.296 53.050 -0.029 0.000 0.856 724 N CB -0.012 38.472 38.487 -0.006 0.000 0.993 724 N HN 0.399 nan 8.380 nan 0.000 0.426 725 L N 0.614 121.847 121.223 0.016 0.000 2.628 725 L HA 0.158 4.496 4.340 -0.003 0.000 0.229 725 L C -0.189 176.700 176.870 0.031 0.000 1.137 725 L CA -0.110 54.759 54.840 0.049 0.000 0.909 725 L CB -0.211 41.919 42.059 0.118 0.000 1.137 725 L HN 0.072 nan 8.230 nan 0.000 0.470 726 N N 2.003 120.704 118.700 0.002 0.000 2.696 726 N HA -0.187 4.551 4.740 -0.003 0.000 0.256 726 N C -0.483 175.029 175.510 0.003 0.000 1.031 726 N CA 1.283 54.333 53.050 0.000 0.000 0.730 726 N CB -1.250 37.244 38.487 0.012 0.000 0.894 726 N HN 0.556 nan 8.380 nan 0.000 0.544 727 I N -4.199 116.363 120.570 -0.013 0.000 3.343 727 I HA 0.615 4.783 4.170 -0.003 0.000 0.315 727 I C 0.620 176.715 176.117 -0.037 0.000 1.153 727 I CA -1.117 60.166 61.300 -0.028 0.000 0.952 727 I CB 1.803 39.770 38.000 -0.055 0.000 1.287 727 I HN 0.042 nan 8.210 nan 0.000 0.472 728 S N 0.824 116.495 115.700 -0.048 0.000 2.614 728 S HA 0.324 4.792 4.470 -0.003 0.000 0.265 728 S C 0.932 175.513 174.600 -0.031 0.000 1.303 728 S CA -0.334 57.850 58.200 -0.026 0.000 1.000 728 S CB 1.580 64.766 63.200 -0.024 0.000 0.935 728 S HN 0.904 nan 8.310 nan 0.000 0.551 729 R N 1.543 122.053 120.500 0.017 0.000 2.081 729 R HA -0.127 4.212 4.340 -0.003 0.000 0.235 729 R C 2.185 178.490 176.300 0.008 0.000 1.131 729 R CA 1.860 57.986 56.100 0.044 0.000 0.960 729 R CB -0.438 29.921 30.300 0.098 0.000 0.856 729 R HN 0.900 nan 8.270 nan 0.000 0.436 730 K N -0.084 120.313 120.400 -0.006 0.000 2.148 730 K HA -0.122 4.196 4.320 -0.003 0.000 0.204 730 K C 1.702 178.259 176.600 -0.070 0.000 1.050 730 K CA 1.609 57.886 56.287 -0.016 0.000 0.942 730 K CB -0.139 32.357 32.500 -0.007 0.000 0.724 730 K HN 0.285 nan 8.250 nan 0.000 0.446 731 E N 1.044 121.165 120.200 -0.132 0.000 2.072 731 E HA -0.141 4.207 4.350 -0.003 0.000 0.191 731 E C 2.192 178.496 176.600 -0.493 0.000 0.985 731 E CA 1.095 57.320 56.400 -0.293 0.000 0.801 731 E CB -0.141 29.382 29.700 -0.295 0.000 0.750 731 E HN 0.499 nan 8.360 nan 0.000 0.452 732 A N 1.362 123.998 122.820 -0.307 0.000 1.898 732 A HA -0.096 4.222 4.320 -0.003 0.000 0.216 732 A C 2.377 179.930 177.584 -0.051 0.000 1.181 732 A CA 1.581 53.495 52.037 -0.205 0.000 0.620 732 A CB -0.608 18.360 19.000 -0.053 0.000 0.819 732 A HN 0.296 nan 8.150 nan 0.000 0.442 733 A N -0.062 122.750 122.820 -0.013 0.000 1.940 733 A HA -0.198 4.120 4.320 -0.003 0.000 0.219 733 A C 1.896 179.531 177.584 0.085 0.000 1.176 733 A CA 1.713 53.788 52.037 0.063 0.000 0.631 733 A CB -0.534 18.505 19.000 0.065 0.000 0.814 733 A HN 0.658 nan 8.150 nan 0.000 0.446 734 E N -0.872 119.349 120.200 0.034 0.000 2.077 734 E HA -0.134 4.214 4.350 -0.003 0.000 0.193 734 E C 1.771 178.522 176.600 0.252 0.000 0.989 734 E CA 1.077 57.539 56.400 0.105 0.000 0.800 734 E CB -0.315 29.419 29.700 0.058 0.000 0.746 734 E HN 0.800 nan 8.360 nan 0.000 0.452 735 F N 0.816 120.801 119.950 0.059 0.000 2.102 735 F HA -0.197 4.328 4.527 -0.003 0.000 0.298 735 F C 2.402 178.199 175.800 -0.006 0.000 1.105 735 F CA 0.380 58.394 58.000 0.023 0.000 1.239 735 F CB -0.172 38.847 39.000 0.032 0.000 0.991 735 F HN -0.007 nan 8.300 nan 0.000 0.474 736 I N 0.255 120.943 120.570 0.197 0.000 2.208 736 I HA -0.316 3.852 4.170 -0.003 0.000 0.245 736 I C 2.417 178.575 176.117 0.068 0.000 1.097 736 I CA 1.528 62.840 61.300 0.020 0.000 1.363 736 I CB -0.546 37.492 38.000 0.064 0.000 1.051 736 I HN 0.212 nan 8.210 nan 0.000 0.413 737 E N 0.941 121.255 120.200 0.190 0.000 2.077 737 E HA -0.234 4.114 4.350 -0.003 0.000 0.193 737 E C 2.380 179.095 176.600 0.192 0.000 0.989 737 E CA 1.018 57.561 56.400 0.239 0.000 0.800 737 E CB 0.145 29.956 29.700 0.186 0.000 0.746 737 E HN 0.251 nan 8.360 nan 0.000 0.452 738 R N -0.214 120.371 120.500 0.143 0.000 2.092 738 R HA -0.155 4.183 4.340 -0.003 0.000 0.231 738 R C 2.181 178.506 176.300 0.043 0.000 1.119 738 R CA 1.267 57.412 56.100 0.074 0.000 0.970 738 R CB -1.181 29.142 30.300 0.037 0.000 0.864 738 R HN 0.410 nan 8.270 nan 0.000 0.440 739 Y N 0.565 120.824 120.300 -0.069 0.000 2.128 739 Y HA -0.245 4.303 4.550 -0.003 0.000 0.284 739 Y C 1.897 177.844 175.900 0.077 0.000 1.154 739 Y CA 1.620 59.686 58.100 -0.057 0.000 1.149 739 Y CB -0.363 37.933 38.460 -0.273 0.000 0.976 739 Y HN -0.125 nan 8.280 nan 0.000 0.505 740 F N 0.794 120.923 119.950 0.298 0.000 2.293 740 F HA -0.115 4.410 4.527 -0.003 0.000 0.300 740 F C 2.284 178.112 175.800 0.046 0.000 1.086 740 F CA 1.435 59.557 58.000 0.203 0.000 1.375 740 F CB -0.761 38.368 39.000 0.215 0.000 1.045 740 F HN 0.180 nan 8.300 nan 0.000 0.516 741 E N -0.563 119.738 120.200 0.168 0.000 2.106 741 E HA -0.130 4.218 4.350 -0.003 0.000 0.192 741 E C 2.217 178.760 176.600 -0.096 0.000 0.984 741 E CA 1.365 57.791 56.400 0.043 0.000 0.806 741 E CB -0.132 29.582 29.700 0.025 0.000 0.750 741 E HN 0.228 nan 8.360 nan 0.000 0.458 742 S N -0.183 115.379 115.700 -0.232 0.000 2.446 742 S HA 0.040 4.508 4.470 -0.003 0.000 0.225 742 S C 0.316 174.394 174.600 -0.869 0.000 1.016 742 S CA 0.492 58.349 58.200 -0.571 0.000 0.943 742 S CB 0.195 62.950 63.200 -0.741 0.000 0.786 742 S HN 0.114 nan 8.310 nan 0.000 0.508 743 F N 1.613 121.401 119.950 -0.270 0.000 2.523 743 F HA 0.349 4.874 4.527 -0.003 0.000 0.322 743 F C -1.880 173.938 175.800 0.030 0.000 1.361 743 F CA -2.123 55.765 58.000 -0.185 0.000 1.151 743 F CB 1.210 39.972 39.000 -0.395 0.000 1.391 743 F HN -0.019 nan 8.300 nan 0.000 0.566 744 P HA -0.138 nan 4.420 nan 0.000 0.219 744 P C 1.681 179.063 177.300 0.137 0.000 1.146 744 P CA 1.413 64.586 63.100 0.122 0.000 0.808 744 P CB 0.335 32.061 31.700 0.045 0.000 0.779 745 G N 0.361 109.250 108.800 0.148 0.000 2.402 745 G HA2 -0.169 3.789 3.960 -0.003 0.000 0.216 745 G HA3 -0.169 3.789 3.960 -0.003 0.000 0.216 745 G C 1.713 176.739 174.900 0.210 0.000 1.162 745 G CA 0.536 45.721 45.100 0.143 0.000 0.777 745 G HN 0.173 nan 8.290 nan 0.000 0.539 746 V N 0.799 120.891 119.914 0.297 0.000 2.358 746 V HA -0.140 3.978 4.120 -0.003 0.000 0.246 746 V C 2.662 178.991 176.094 0.391 0.000 1.047 746 V CA 2.191 64.730 62.300 0.398 0.000 1.035 746 V CB -0.365 31.770 31.823 0.521 0.000 0.658 746 V HN 0.421 nan 8.190 nan 0.000 0.452 747 K N 0.291 120.871 120.400 0.301 0.000 2.026 747 K HA -0.238 4.081 4.320 -0.003 0.000 0.208 747 K C 2.432 178.973 176.600 -0.097 0.000 1.048 747 K CA 1.741 57.934 56.287 -0.156 0.000 0.929 747 K CB -0.202 32.154 32.500 -0.241 0.000 0.713 747 K HN 0.296 nan 8.250 nan 0.000 0.439 748 R N -0.275 120.237 120.500 0.020 0.000 2.083 748 R HA -0.227 4.111 4.340 -0.003 0.000 0.237 748 R C 2.399 178.718 176.300 0.033 0.000 1.137 748 R CA 1.992 58.101 56.100 0.016 0.000 0.951 748 R CB -0.568 29.762 30.300 0.051 0.000 0.851 748 R HN 0.370 nan 8.270 nan 0.000 0.434 749 Y N 0.791 121.096 120.300 0.010 0.000 2.128 749 Y HA -0.235 4.313 4.550 -0.003 0.000 0.284 749 Y C 2.139 178.044 175.900 0.008 0.000 1.154 749 Y CA 1.810 59.920 58.100 0.017 0.000 1.149 749 Y CB -0.186 38.302 38.460 0.047 0.000 0.976 749 Y HN 0.029 nan 8.280 nan 0.000 0.505 750 M N 0.508 119.986 119.600 -0.203 0.000 2.159 750 M HA -0.187 4.291 4.480 -0.003 0.000 0.263 750 M C 1.982 178.125 176.300 -0.262 0.000 1.063 750 M CA 1.700 56.832 55.300 -0.280 0.000 1.110 750 M CB -1.161 31.413 32.600 -0.043 0.000 1.374 750 M HN 0.430 nan 8.290 nan 0.000 0.411 751 E N 0.075 120.154 120.200 -0.201 0.000 2.047 751 E HA -0.160 4.189 4.350 -0.003 0.000 0.191 751 E C 1.841 178.348 176.600 -0.156 0.000 0.987 751 E CA 0.969 57.275 56.400 -0.157 0.000 0.799 751 E CB -0.116 29.507 29.700 -0.128 0.000 0.752 751 E HN 0.483 nan 8.360 nan 0.000 0.449 752 N N 0.888 119.490 118.700 -0.163 0.000 2.188 752 N HA -0.129 4.610 4.740 -0.003 0.000 0.184 752 N C 1.807 177.203 175.510 -0.190 0.000 1.018 752 N CA 0.613 53.579 53.050 -0.140 0.000 0.858 752 N CB -0.180 38.259 38.487 -0.080 0.000 0.989 752 N HN 0.104 nan 8.380 nan 0.000 0.426 753 I N 0.647 121.012 120.570 -0.342 0.000 2.315 753 I HA -0.142 4.026 4.170 -0.003 0.000 0.248 753 I C 1.873 177.861 176.117 -0.215 0.000 1.117 753 I CA 0.757 61.858 61.300 -0.332 0.000 1.404 753 I CB -0.214 37.417 38.000 -0.615 0.000 1.071 753 I HN -0.157 nan 8.210 nan 0.000 0.419 754 V N 0.462 120.256 119.914 -0.200 0.000 2.343 754 V HA -0.322 3.796 4.120 -0.003 0.000 0.247 754 V C 2.485 178.515 176.094 -0.107 0.000 1.051 754 V CA 2.233 64.454 62.300 -0.131 0.000 1.036 754 V CB -0.799 30.960 31.823 -0.108 0.000 0.654 754 V HN 0.594 nan 8.190 nan 0.000 0.451 755 Q N -0.136 119.600 119.800 -0.107 0.000 2.124 755 Q HA -0.276 4.062 4.340 -0.003 0.000 0.202 755 Q C 2.286 178.229 176.000 -0.095 0.000 0.977 755 Q CA 2.148 57.900 55.803 -0.085 0.000 0.850 755 Q CB -0.145 28.548 28.738 -0.076 0.000 0.901 755 Q HN 0.763 nan 8.270 nan 0.000 0.429 756 E N -0.391 119.739 120.200 -0.116 0.000 2.072 756 E HA -0.193 4.155 4.350 -0.003 0.000 0.191 756 E C 1.846 178.343 176.600 -0.172 0.000 0.985 756 E CA 0.952 57.270 56.400 -0.137 0.000 0.801 756 E CB -0.144 29.474 29.700 -0.136 0.000 0.750 756 E HN 0.486 nan 8.360 nan 0.000 0.452 757 A N 1.562 124.290 122.820 -0.152 0.000 1.940 757 A HA -0.237 4.081 4.320 -0.003 0.000 0.219 757 A C 2.093 179.613 177.584 -0.107 0.000 1.176 757 A CA 1.839 53.790 52.037 -0.144 0.000 0.631 757 A CB -0.478 18.463 19.000 -0.099 0.000 0.814 757 A HN 0.214 nan 8.150 nan 0.000 0.446 758 K N -0.820 119.529 120.400 -0.085 0.000 2.057 758 K HA -0.181 4.137 4.320 -0.003 0.000 0.206 758 K C 2.331 178.897 176.600 -0.058 0.000 1.050 758 K CA 1.425 57.679 56.287 -0.055 0.000 0.935 758 K CB -0.199 32.274 32.500 -0.045 0.000 0.715 758 K HN 0.523 nan 8.250 nan 0.000 0.439 759 Q N 1.127 120.878 119.800 -0.081 0.000 2.016 759 Q HA -0.163 4.175 4.340 -0.003 0.000 0.200 759 Q C 1.528 177.474 176.000 -0.091 0.000 0.978 759 Q CA 1.774 57.531 55.803 -0.076 0.000 0.833 759 Q CB 0.113 28.802 28.738 -0.082 0.000 0.895 759 Q HN 0.310 nan 8.270 nan 0.000 0.427 760 K N -1.523 118.768 120.400 -0.182 0.000 2.262 760 K HA 0.071 4.389 4.320 -0.003 0.000 0.200 760 K C 1.159 177.674 176.600 -0.142 0.000 1.049 760 K CA 0.653 56.781 56.287 -0.265 0.000 0.979 760 K CB 0.348 32.443 32.500 -0.676 0.000 0.773 760 K HN 0.467 nan 8.250 nan 0.000 0.474 761 G N 0.982 109.721 108.800 -0.102 0.000 2.176 761 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.232 761 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.232 761 G C -0.191 174.834 174.900 0.208 0.000 0.986 761 G CA 0.518 45.683 45.100 0.109 0.000 0.643 761 G HN 0.394 nan 8.290 nan 0.000 0.522 762 Y N -2.157 118.127 120.300 -0.026 0.000 2.713 762 Y HA 0.726 5.275 4.550 -0.003 0.000 0.335 762 Y C -0.372 175.448 175.900 -0.134 0.000 1.222 762 Y CA -1.259 56.745 58.100 -0.160 0.000 1.061 762 Y CB 0.856 39.017 38.460 -0.499 0.000 1.314 762 Y HN 1.014 nan 8.280 nan 0.000 0.453 763 V N -0.739 119.189 119.914 0.023 0.000 2.960 763 V HA 1.007 5.125 4.120 -0.003 0.000 0.315 763 V C -0.426 175.735 176.094 0.111 0.000 1.087 763 V CA -0.198 62.104 62.300 0.003 0.000 0.982 763 V CB 1.335 33.153 31.823 -0.008 0.000 1.039 763 V HN 1.384 nan 8.190 nan 0.000 0.437 764 T N -0.710 113.907 114.554 0.104 0.000 2.901 764 T HA 0.809 5.157 4.350 -0.003 0.000 0.293 764 T C -0.005 174.755 174.700 0.099 0.000 1.084 764 T CA -0.011 62.158 62.100 0.116 0.000 1.008 764 T CB 1.686 70.658 68.868 0.173 0.000 1.170 764 T HN 1.450 nan 8.240 nan 0.000 0.509 765 T N -0.723 113.881 114.554 0.084 0.000 2.923 765 T HA 0.512 4.860 4.350 -0.003 0.000 0.281 765 T C 1.595 176.325 174.700 0.049 0.000 0.995 765 T CA -1.132 61.001 62.100 0.055 0.000 0.985 765 T CB 0.504 69.384 68.868 0.019 0.000 1.114 765 T HN 0.529 nan 8.240 nan 0.000 0.548 766 L N -0.243 120.980 121.223 0.000 0.000 2.043 766 L HA -0.042 4.297 4.340 -0.003 0.000 0.212 766 L C 2.032 178.795 176.870 -0.179 0.000 1.075 766 L CA 1.408 56.220 54.840 -0.046 0.000 0.752 766 L CB -0.573 41.442 42.059 -0.074 0.000 0.891 766 L HN 0.585 nan 8.230 nan 0.000 0.432 767 L N -0.908 120.210 121.223 -0.175 0.000 2.685 767 L HA 0.115 4.453 4.340 -0.003 0.000 0.233 767 L C 0.151 176.879 176.870 -0.237 0.000 1.173 767 L CA -0.183 54.487 54.840 -0.282 0.000 0.961 767 L CB -0.344 41.630 42.059 -0.141 0.000 1.217 767 L HN 0.355 nan 8.230 nan 0.000 0.478 768 H N -1.398 117.672 119.070 -0.000 0.000 3.049 768 H HA -0.155 4.399 4.556 -0.003 0.000 0.250 768 H C 0.883 176.189 175.328 -0.037 0.000 1.219 768 H CA 0.410 56.453 56.048 -0.007 0.000 1.117 768 H CB -1.362 28.397 29.762 -0.005 0.000 1.251 768 H HN 0.408 nan 8.280 nan 0.000 0.338 769 R N 1.560 122.093 120.500 0.056 0.000 2.641 769 R HA 0.365 4.703 4.340 -0.003 0.000 0.269 769 R C 0.742 177.014 176.300 -0.046 0.000 1.074 769 R CA -0.073 56.014 56.100 -0.021 0.000 1.133 769 R CB 0.747 31.028 30.300 -0.032 0.000 1.029 769 R HN 0.484 nan 8.270 nan 0.000 0.488 770 R N 1.839 122.256 120.500 -0.137 0.000 2.808 770 R HA 0.503 4.841 4.340 -0.003 0.000 0.272 770 R C -1.319 174.842 176.300 -0.232 0.000 0.995 770 R CA -1.102 54.882 56.100 -0.193 0.000 0.917 770 R CB 1.656 31.712 30.300 -0.406 0.000 1.217 770 R HN 0.540 nan 8.270 nan 0.000 0.471 771 R N 2.190 122.566 120.500 -0.205 0.000 2.514 771 R HA 0.274 4.612 4.340 -0.003 0.000 0.296 771 R C -1.513 174.700 176.300 -0.144 0.000 1.012 771 R CA -0.641 55.373 56.100 -0.144 0.000 0.897 771 R CB 1.282 31.546 30.300 -0.060 0.000 1.184 771 R HN 0.695 nan 8.270 nan 0.000 0.440 772 Y N 4.111 124.434 120.300 0.038 0.000 2.346 772 Y HA 0.247 4.795 4.550 -0.002 0.000 0.330 772 Y C 0.438 176.354 175.900 0.027 0.000 1.178 772 Y CA -0.197 57.946 58.100 0.072 0.000 1.331 772 Y CB 1.099 39.581 38.460 0.037 0.000 1.253 772 Y HN 0.382 nan 8.280 nan 0.000 0.529 773 L N 6.274 127.599 121.223 0.171 0.000 2.556 773 L HA 0.244 4.583 4.340 -0.003 0.000 0.243 773 L C -1.743 175.163 176.870 0.060 0.000 1.331 773 L CA -1.389 53.489 54.840 0.063 0.000 0.927 773 L CB 1.036 43.097 42.059 0.003 0.000 1.219 773 L HN 0.517 nan 8.230 nan 0.000 0.490 774 P HA -0.160 nan 4.420 nan 0.000 0.218 774 P C 0.475 177.789 177.300 0.023 0.000 1.149 774 P CA 1.132 64.260 63.100 0.046 0.000 0.817 774 P CB 0.443 32.165 31.700 0.036 0.000 0.785 775 D N -0.455 119.951 120.400 0.011 0.000 2.378 775 D HA -0.060 4.578 4.640 -0.003 0.000 0.222 775 D C 1.700 177.998 176.300 -0.003 0.000 0.980 775 D CA 0.267 54.270 54.000 0.006 0.000 0.907 775 D CB -0.747 40.053 40.800 0.001 0.000 0.899 775 D HN 0.168 nan 8.370 nan 0.000 0.527 776 I N 0.679 121.244 120.570 -0.008 0.000 2.756 776 I HA -0.178 3.990 4.170 -0.003 0.000 0.262 776 I C 1.757 177.868 176.117 -0.010 0.000 1.225 776 I CA 1.184 62.473 61.300 -0.017 0.000 1.472 776 I CB -0.085 37.901 38.000 -0.022 0.000 1.094 776 I HN -0.021 nan 8.210 nan 0.000 0.454 777 T N -3.502 111.053 114.554 0.001 0.000 3.054 777 T HA 0.195 4.543 4.350 -0.003 0.000 0.255 777 T C 0.970 175.677 174.700 0.012 0.000 1.035 777 T CA 0.155 62.258 62.100 0.005 0.000 0.941 777 T CB -0.453 68.420 68.868 0.008 0.000 1.026 777 T HN 0.212 nan 8.240 nan 0.000 0.533 778 S N 1.078 116.786 115.700 0.014 0.000 2.558 778 S HA 0.179 4.648 4.470 -0.003 0.000 0.288 778 S C 0.922 175.540 174.600 0.031 0.000 1.318 778 S CA -0.478 57.735 58.200 0.023 0.000 1.056 778 S CB 0.513 63.728 63.200 0.025 0.000 0.853 778 S HN 0.359 nan 8.310 nan 0.000 0.505 779 R N 2.414 122.936 120.500 0.038 0.000 2.356 779 R HA 0.280 4.618 4.340 -0.003 0.000 0.234 779 R C 0.161 176.503 176.300 0.070 0.000 0.929 779 R CA -0.014 56.116 56.100 0.050 0.000 1.084 779 R CB -0.256 30.068 30.300 0.041 0.000 1.105 779 R HN 0.524 nan 8.270 nan 0.000 0.515 780 N N 0.349 119.091 118.700 0.070 0.000 2.437 780 N HA -0.024 4.714 4.740 -0.003 0.000 0.259 780 N C 0.312 175.892 175.510 0.117 0.000 0.983 780 N CA -0.176 52.930 53.050 0.093 0.000 0.937 780 N CB 0.534 39.063 38.487 0.070 0.000 1.122 780 N HN 0.003 nan 8.380 nan 0.000 0.499 781 F N 5.319 125.281 119.950 0.020 0.000 2.087 781 F HA -0.267 4.258 4.527 -0.003 0.000 0.299 781 F C 1.680 177.501 175.800 0.035 0.000 1.100 781 F CA 1.733 59.746 58.000 0.023 0.000 1.226 781 F CB 0.073 39.078 39.000 0.008 0.000 0.983 781 F HN 0.526 nan 8.300 nan 0.000 0.479 782 N N 0.390 119.144 118.700 0.089 0.000 2.084 782 N HA -0.161 4.577 4.740 -0.003 0.000 0.190 782 N C 2.048 177.543 175.510 -0.025 0.000 1.030 782 N CA 1.798 54.842 53.050 -0.011 0.000 0.849 782 N CB -0.811 37.720 38.487 0.073 0.000 1.012 782 N HN 0.260 nan 8.380 nan 0.000 0.423 783 V N 1.590 121.523 119.914 0.032 0.000 2.343 783 V HA -0.186 3.932 4.120 -0.003 0.000 0.247 783 V C 2.584 178.706 176.094 0.046 0.000 1.051 783 V CA 1.508 63.855 62.300 0.078 0.000 1.036 783 V CB -0.449 31.415 31.823 0.069 0.000 0.654 783 V HN 0.300 nan 8.190 nan 0.000 0.451 784 R N -0.090 120.392 120.500 -0.029 0.000 2.075 784 R HA -0.138 4.201 4.340 -0.003 0.000 0.232 784 R C 2.473 178.711 176.300 -0.104 0.000 1.126 784 R CA 1.785 57.850 56.100 -0.060 0.000 0.963 784 R CB -0.278 29.982 30.300 -0.067 0.000 0.858 784 R HN 0.488 nan 8.270 nan 0.000 0.435 785 S N 0.333 115.891 115.700 -0.238 0.000 2.382 785 S HA -0.152 4.317 4.470 -0.003 0.000 0.228 785 S C 1.441 176.051 174.600 0.018 0.000 1.027 785 S CA 1.308 59.363 58.200 -0.242 0.000 0.991 785 S CB -0.355 62.529 63.200 -0.527 0.000 0.823 785 S HN 0.411 nan 8.310 nan 0.000 0.469 786 F N 1.946 121.827 119.950 -0.115 0.000 2.134 786 F HA -0.185 4.341 4.527 -0.003 0.000 0.299 786 F C 2.454 178.236 175.800 -0.030 0.000 1.097 786 F CA 0.736 58.709 58.000 -0.046 0.000 1.264 786 F CB -0.234 38.749 39.000 -0.027 0.000 1.001 786 F HN 0.257 nan 8.300 nan 0.000 0.479 787 A N 0.201 123.018 122.820 -0.005 0.000 1.933 787 A HA -0.216 4.102 4.320 -0.003 0.000 0.218 787 A C 1.914 179.461 177.584 -0.061 0.000 1.175 787 A CA 1.827 53.798 52.037 -0.109 0.000 0.628 787 A CB -0.754 18.205 19.000 -0.067 0.000 0.814 787 A HN 0.545 nan 8.150 nan 0.000 0.444 788 E N -0.534 119.651 120.200 -0.026 0.000 2.106 788 E HA -0.156 4.192 4.350 -0.003 0.000 0.192 788 E C 2.302 178.908 176.600 0.010 0.000 0.984 788 E CA 0.906 57.292 56.400 -0.023 0.000 0.806 788 E CB -0.147 29.534 29.700 -0.032 0.000 0.750 788 E HN 0.526 nan 8.360 nan 0.000 0.458 789 R N 0.120 120.658 120.500 0.063 0.000 2.092 789 R HA -0.036 4.303 4.340 -0.003 0.000 0.231 789 R C 2.330 178.677 176.300 0.080 0.000 1.119 789 R CA 1.109 57.278 56.100 0.115 0.000 0.970 789 R CB -0.161 30.266 30.300 0.212 0.000 0.864 789 R HN 0.224 nan 8.270 nan 0.000 0.440 790 M N -0.087 119.513 119.600 0.001 0.000 2.175 790 M HA -0.095 4.383 4.480 -0.003 0.000 0.264 790 M C 2.471 178.763 176.300 -0.014 0.000 1.063 790 M CA 1.550 56.821 55.300 -0.049 0.000 1.119 790 M CB -0.237 32.255 32.600 -0.180 0.000 1.377 790 M HN 0.209 nan 8.290 nan 0.000 0.415 791 A N 0.205 123.010 122.820 -0.025 0.000 1.933 791 A HA -0.142 4.176 4.320 -0.003 0.000 0.218 791 A C 2.085 179.667 177.584 -0.003 0.000 1.175 791 A CA 1.496 53.515 52.037 -0.030 0.000 0.628 791 A CB -0.508 18.454 19.000 -0.063 0.000 0.814 791 A HN 0.465 nan 8.150 nan 0.000 0.444 792 M N -0.932 118.681 119.600 0.022 0.000 2.193 792 M HA -0.059 4.419 4.480 -0.003 0.000 0.265 792 M C 2.187 178.599 176.300 0.187 0.000 1.071 792 M CA 1.380 56.730 55.300 0.085 0.000 1.140 792 M CB -0.332 32.325 32.600 0.096 0.000 1.369 792 M HN 0.607 nan 8.290 nan 0.000 0.423 793 N N -0.199 118.589 118.700 0.147 0.000 2.290 793 N HA -0.097 4.641 4.740 -0.003 0.000 0.179 793 N C 1.360 176.943 175.510 0.122 0.000 1.016 793 N CA 1.470 54.615 53.050 0.159 0.000 0.871 793 N CB 0.107 38.696 38.487 0.169 0.000 0.987 793 N HN 0.186 nan 8.380 nan 0.000 0.431 794 T N 1.719 116.324 114.554 0.084 0.000 2.684 794 T HA -0.060 4.289 4.350 -0.003 0.000 0.267 794 T C -0.984 173.758 174.700 0.070 0.000 1.036 794 T CA 1.315 63.450 62.100 0.059 0.000 1.148 794 T CB -1.040 67.843 68.868 0.026 0.000 0.863 794 T HN 0.384 nan 8.240 nan 0.000 0.436 795 P HA 0.072 nan 4.420 nan 0.000 0.220 795 P C 1.232 178.573 177.300 0.069 0.000 1.148 795 P CA 0.798 63.960 63.100 0.105 0.000 0.803 795 P CB -0.114 31.700 31.700 0.190 0.000 0.782 796 I N -1.116 119.501 120.570 0.079 0.000 2.270 796 I HA -0.181 3.987 4.170 -0.003 0.000 0.239 796 I C 2.662 178.794 176.117 0.025 0.000 1.080 796 I CA 1.189 62.509 61.300 0.033 0.000 1.383 796 I CB -0.701 37.331 38.000 0.052 0.000 1.097 796 I HN -0.091 nan 8.210 nan 0.000 0.420 797 Q N 1.112 120.946 119.800 0.057 0.000 2.084 797 Q HA -0.169 4.169 4.340 -0.003 0.000 0.202 797 Q C 2.180 178.200 176.000 0.032 0.000 0.978 797 Q CA 1.947 57.781 55.803 0.052 0.000 0.844 797 Q CB -0.243 28.536 28.738 0.069 0.000 0.898 797 Q HN 0.576 nan 8.270 nan 0.000 0.426 798 G N -0.432 108.388 108.800 0.033 0.000 2.402 798 G HA2 -0.211 3.747 3.960 -0.003 0.000 0.216 798 G HA3 -0.211 3.747 3.960 -0.003 0.000 0.216 798 G C 1.471 176.374 174.900 0.005 0.000 1.162 798 G CA 0.855 45.970 45.100 0.025 0.000 0.777 798 G HN 0.331 nan 8.290 nan 0.000 0.539 799 S N 0.888 116.583 115.700 -0.009 0.000 2.402 799 S HA 0.060 4.529 4.470 -0.003 0.000 0.229 799 S C 2.722 177.275 174.600 -0.078 0.000 1.021 799 S CA 1.010 59.184 58.200 -0.043 0.000 0.974 799 S CB -0.229 62.942 63.200 -0.048 0.000 0.800 799 S HN 0.566 nan 8.310 nan 0.000 0.484 800 A N 1.431 124.207 122.820 -0.073 0.000 1.930 800 A HA 0.168 4.486 4.320 -0.003 0.000 0.217 800 A C 2.303 179.849 177.584 -0.064 0.000 1.175 800 A CA 1.538 53.507 52.037 -0.112 0.000 0.627 800 A CB -0.879 18.074 19.000 -0.078 0.000 0.815 800 A HN 0.498 nan 8.150 nan 0.000 0.443 801 A N 0.163 122.980 122.820 -0.005 0.000 1.898 801 A HA -0.146 4.172 4.320 -0.003 0.000 0.216 801 A C 1.768 179.360 177.584 0.013 0.000 1.181 801 A CA 1.758 53.816 52.037 0.036 0.000 0.620 801 A CB -0.541 18.499 19.000 0.067 0.000 0.819 801 A HN 0.441 nan 8.150 nan 0.000 0.442 802 D N 0.296 120.689 120.400 -0.012 0.000 2.104 802 D HA -0.159 4.479 4.640 -0.003 0.000 0.194 802 D C 1.872 178.148 176.300 -0.041 0.000 0.994 802 D CA 1.423 55.407 54.000 -0.025 0.000 0.830 802 D CB -0.427 40.344 40.800 -0.048 0.000 0.959 802 D HN 0.527 nan 8.370 nan 0.000 0.452 803 I N 0.724 121.246 120.570 -0.079 0.000 2.127 803 I HA -0.236 3.932 4.170 -0.003 0.000 0.241 803 I C 2.599 178.705 176.117 -0.019 0.000 1.075 803 I CA 0.802 62.043 61.300 -0.099 0.000 1.334 803 I CB -0.171 37.691 38.000 -0.230 0.000 1.040 803 I HN -0.037 nan 8.210 nan 0.000 0.405 804 I N 0.650 121.227 120.570 0.011 0.000 2.493 804 I HA -0.276 3.893 4.170 -0.003 0.000 0.254 804 I C 2.432 178.595 176.117 0.077 0.000 1.160 804 I CA 1.489 62.877 61.300 0.148 0.000 1.445 804 I CB -0.114 38.010 38.000 0.208 0.000 1.086 804 I HN 0.148 nan 8.210 nan 0.000 0.433 805 K N 0.525 120.945 120.400 0.033 0.000 2.057 805 K HA -0.233 4.085 4.320 -0.003 0.000 0.206 805 K C 2.161 178.763 176.600 0.003 0.000 1.050 805 K CA 1.402 57.695 56.287 0.010 0.000 0.935 805 K CB -0.110 32.395 32.500 0.009 0.000 0.715 805 K HN 0.250 nan 8.250 nan 0.000 0.439 806 K N 0.774 121.175 120.400 0.003 0.000 2.155 806 K HA -0.068 4.251 4.320 -0.003 0.000 0.203 806 K C 2.032 178.637 176.600 0.008 0.000 1.052 806 K CA 0.995 57.280 56.287 -0.004 0.000 0.948 806 K CB -0.015 32.475 32.500 -0.017 0.000 0.728 806 K HN 0.094 nan 8.250 nan 0.000 0.448 807 A N 1.192 124.035 122.820 0.038 0.000 1.933 807 A HA -0.170 4.148 4.320 -0.003 0.000 0.218 807 A C 2.088 179.680 177.584 0.014 0.000 1.175 807 A CA 1.632 53.699 52.037 0.050 0.000 0.628 807 A CB -0.445 18.635 19.000 0.132 0.000 0.814 807 A HN 0.339 nan 8.150 nan 0.000 0.444 808 M N -0.805 118.800 119.600 0.008 0.000 2.117 808 M HA -0.082 4.396 4.480 -0.003 0.000 0.262 808 M C 2.080 178.366 176.300 -0.023 0.000 1.065 808 M CA 1.512 56.802 55.300 -0.017 0.000 1.114 808 M CB -0.489 32.092 32.600 -0.033 0.000 1.361 808 M HN 0.393 nan 8.290 nan 0.000 0.408 809 I N 0.218 120.776 120.570 -0.020 0.000 2.179 809 I HA -0.308 3.860 4.170 -0.003 0.000 0.242 809 I C 1.891 177.993 176.117 -0.024 0.000 1.088 809 I CA 1.214 62.500 61.300 -0.023 0.000 1.357 809 I CB -0.584 37.403 38.000 -0.021 0.000 1.051 809 I HN 0.255 nan 8.210 nan 0.000 0.409 810 D N 0.689 121.076 120.400 -0.021 0.000 2.117 810 D HA -0.179 4.459 4.640 -0.003 0.000 0.197 810 D C 2.005 178.284 176.300 -0.035 0.000 0.987 810 D CA 1.110 55.094 54.000 -0.026 0.000 0.829 810 D CB -0.386 40.402 40.800 -0.020 0.000 0.961 810 D HN 0.170 nan 8.370 nan 0.000 0.460 811 L N 1.225 122.427 121.223 -0.036 0.000 2.012 811 L HA -0.161 4.178 4.340 -0.003 0.000 0.210 811 L C 1.595 178.435 176.870 -0.051 0.000 1.073 811 L CA 1.756 56.565 54.840 -0.052 0.000 0.748 811 L CB -0.796 41.232 42.059 -0.052 0.000 0.891 811 L HN -0.133 nan 8.230 nan 0.000 0.431 812 N N -0.180 118.498 118.700 -0.038 0.000 2.166 812 N HA -0.114 4.624 4.740 -0.003 0.000 0.186 812 N C 1.800 177.289 175.510 -0.034 0.000 1.019 812 N CA 1.454 54.486 53.050 -0.031 0.000 0.856 812 N CB -0.394 38.079 38.487 -0.023 0.000 0.993 812 N HN 0.556 nan 8.380 nan 0.000 0.426 813 A N 0.787 123.585 122.820 -0.036 0.000 1.902 813 A HA -0.089 4.229 4.320 -0.003 0.000 0.217 813 A C 2.148 179.707 177.584 -0.043 0.000 1.181 813 A CA 1.067 53.082 52.037 -0.036 0.000 0.623 813 A CB -0.207 18.773 19.000 -0.033 0.000 0.818 813 A HN 0.101 nan 8.150 nan 0.000 0.443 814 R N -0.306 120.163 120.500 -0.051 0.000 2.075 814 R HA 0.007 4.345 4.340 -0.003 0.000 0.232 814 R C 2.085 178.342 176.300 -0.072 0.000 1.126 814 R CA 1.132 57.195 56.100 -0.062 0.000 0.963 814 R CB -1.052 29.205 30.300 -0.073 0.000 0.858 814 R HN 0.587 nan 8.270 nan 0.000 0.435 815 L N 0.734 121.913 121.223 -0.074 0.000 2.083 815 L HA -0.169 4.169 4.340 -0.003 0.000 0.209 815 L C 2.688 179.522 176.870 -0.060 0.000 1.083 815 L CA 1.435 56.227 54.840 -0.081 0.000 0.752 815 L CB -0.407 41.609 42.059 -0.072 0.000 0.899 815 L HN 0.177 nan 8.230 nan 0.000 0.433 816 K N 0.422 120.795 120.400 -0.044 0.000 2.062 816 K HA -0.170 4.148 4.320 -0.003 0.000 0.205 816 K C 1.927 178.504 176.600 -0.039 0.000 1.051 816 K CA 1.277 57.544 56.287 -0.034 0.000 0.941 816 K CB 0.064 32.547 32.500 -0.028 0.000 0.719 816 K HN 0.320 nan 8.250 nan 0.000 0.440 817 E N 0.361 120.535 120.200 -0.043 0.000 2.118 817 E HA -0.177 4.171 4.350 -0.003 0.000 0.195 817 E C 1.558 178.130 176.600 -0.048 0.000 0.992 817 E CA 0.976 57.351 56.400 -0.042 0.000 0.804 817 E CB 0.071 29.745 29.700 -0.043 0.000 0.741 817 E HN 0.322 nan 8.360 nan 0.000 0.458 818 E N 0.390 120.554 120.200 -0.059 0.000 2.502 818 E HA 0.005 4.353 4.350 -0.003 0.000 0.194 818 E C 0.026 176.586 176.600 -0.067 0.000 1.062 818 E CA 0.057 56.416 56.400 -0.069 0.000 0.867 818 E CB 0.178 29.824 29.700 -0.089 0.000 0.888 818 E HN 0.058 nan 8.360 nan 0.000 0.510 819 R N 0.014 120.481 120.500 -0.056 0.000 3.416 819 R HA -0.171 4.167 4.340 -0.003 0.000 0.263 819 R C -0.386 175.877 176.300 -0.062 0.000 1.053 819 R CA 0.267 56.339 56.100 -0.047 0.000 0.705 819 R CB -2.533 27.744 30.300 -0.038 0.000 1.124 819 R HN 0.151 nan 8.270 nan 0.000 0.444 820 L N 0.077 121.250 121.223 -0.084 0.000 2.418 820 L HA 0.120 4.459 4.340 -0.003 0.000 0.265 820 L C 1.759 178.568 176.870 -0.102 0.000 1.143 820 L CA -0.176 54.589 54.840 -0.125 0.000 0.809 820 L CB 0.837 42.794 42.059 -0.169 0.000 1.124 820 L HN 0.275 nan 8.230 nan 0.000 0.456 821 Q N 1.609 121.320 119.800 -0.148 0.000 2.432 821 Q HA 0.128 4.466 4.340 -0.003 0.000 0.205 821 Q C 0.533 176.446 176.000 -0.145 0.000 0.945 821 Q CA -0.036 55.721 55.803 -0.077 0.000 0.924 821 Q CB 0.279 28.964 28.738 -0.089 0.000 1.016 821 Q HN 0.762 nan 8.270 nan 0.000 0.503 822 A N 2.444 125.084 122.820 -0.301 0.000 2.531 822 A HA 0.093 4.411 4.320 -0.003 0.000 0.236 822 A C -0.127 177.377 177.584 -0.134 0.000 1.062 822 A CA 0.194 52.021 52.037 -0.351 0.000 0.760 822 A CB -0.095 18.692 19.000 -0.355 0.000 0.995 822 A HN 0.408 nan 8.150 nan 0.000 0.501 823 H N 0.069 119.136 119.070 -0.005 0.000 3.016 823 H HA 0.527 5.081 4.556 -0.003 0.000 0.362 823 H C -1.457 173.884 175.328 0.020 0.000 1.233 823 H CA -1.145 54.915 56.048 0.019 0.000 1.124 823 H CB 0.644 30.448 29.762 0.069 0.000 1.850 823 H HN 0.484 nan 8.280 nan 0.000 0.549 824 L N 1.841 123.181 121.223 0.196 0.000 2.426 824 L HA 0.047 4.385 4.340 -0.003 0.000 0.271 824 L C 0.997 177.968 176.870 0.168 0.000 1.169 824 L CA -0.157 54.751 54.840 0.115 0.000 0.836 824 L CB 0.626 42.709 42.059 0.040 0.000 1.112 824 L HN 0.562 nan 8.230 nan 0.000 0.465 825 L N 3.216 124.498 121.223 0.099 0.000 2.586 825 L HA 0.349 4.687 4.340 -0.003 0.000 0.204 825 L C -0.049 176.871 176.870 0.083 0.000 1.053 825 L CA 0.233 55.126 54.840 0.088 0.000 0.856 825 L CB 0.428 42.496 42.059 0.015 0.000 1.192 825 L HN 0.419 nan 8.230 nan 0.000 0.484 826 L N -0.828 120.401 121.223 0.011 0.000 2.479 826 L HA 0.480 4.819 4.340 -0.003 0.000 0.255 826 L C -1.147 175.711 176.870 -0.021 0.000 1.026 826 L CA -0.558 54.328 54.840 0.077 0.000 0.842 826 L CB 2.283 44.326 42.059 -0.028 0.000 1.444 826 L HN -0.093 nan 8.230 nan 0.000 0.409 827 Q N 1.220 121.003 119.800 -0.029 0.000 2.323 827 Q HA 0.497 4.835 4.340 -0.003 0.000 0.271 827 Q C -1.871 174.117 176.000 -0.020 0.000 1.048 827 Q CA -0.429 55.330 55.803 -0.073 0.000 0.792 827 Q CB 2.810 31.427 28.738 -0.202 0.000 1.280 827 Q HN 0.518 nan 8.270 nan 0.000 0.441 828 V N 6.277 126.177 119.914 -0.022 0.000 2.454 828 V HA 0.230 4.348 4.120 -0.003 0.000 0.255 828 V C 0.197 176.216 176.094 -0.125 0.000 1.009 828 V CA -0.309 61.905 62.300 -0.143 0.000 1.149 828 V CB -0.231 31.621 31.823 0.048 0.000 1.418 828 V HN 0.932 nan 8.190 nan 0.000 0.567 829 H N 1.691 120.848 119.070 0.144 0.000 5.008 829 H HA -0.213 4.341 4.556 -0.003 0.000 0.066 829 H C 1.259 176.673 175.328 0.144 0.000 0.566 829 H CA 2.242 58.371 56.048 0.134 0.000 1.018 829 H CB -0.906 28.940 29.762 0.140 0.000 0.468 829 H HN 0.825 nan 8.280 nan 0.000 0.767 830 D N 1.618 122.189 120.400 0.286 0.000 2.582 830 D HA 0.167 4.805 4.640 -0.003 0.000 0.246 830 D C 0.283 176.749 176.300 0.276 0.000 1.334 830 D CA 0.469 54.654 54.000 0.308 0.000 0.805 830 D CB 0.471 41.435 40.800 0.272 0.000 1.087 830 D HN 0.742 nan 8.370 nan 0.000 0.499 831 E N 0.151 120.458 120.200 0.179 0.000 2.356 831 E HA 0.594 4.942 4.350 -0.003 0.000 0.275 831 E C -1.223 175.418 176.600 0.069 0.000 0.904 831 E CA -1.071 55.395 56.400 0.109 0.000 0.757 831 E CB 2.089 31.868 29.700 0.132 0.000 1.232 831 E HN -0.049 nan 8.360 nan 0.000 0.442 832 L N 2.461 123.707 121.223 0.039 0.000 2.362 832 L HA 0.516 4.854 4.340 -0.003 0.000 0.275 832 L C -0.813 176.082 176.870 0.042 0.000 0.998 832 L CA -1.292 53.562 54.840 0.024 0.000 0.820 832 L CB 1.520 43.586 42.059 0.012 0.000 1.270 832 L HN 0.542 nan 8.230 nan 0.000 0.415 833 I N 4.411 124.977 120.570 -0.007 0.000 2.378 833 I HA 0.528 4.696 4.170 -0.003 0.000 0.291 833 I C -0.233 175.875 176.117 -0.016 0.000 0.992 833 I CA -0.436 60.833 61.300 -0.052 0.000 1.154 833 I CB 1.548 39.373 38.000 -0.291 0.000 1.315 833 I HN 0.400 nan 8.210 nan 0.000 0.448 834 L N 5.442 126.700 121.223 0.059 0.000 2.283 834 L HA 0.622 4.960 4.340 -0.003 0.000 0.259 834 L C -0.068 176.831 176.870 0.048 0.000 1.027 834 L CA -0.558 54.310 54.840 0.046 0.000 0.828 834 L CB 1.743 43.812 42.059 0.018 0.000 1.380 834 L HN 0.667 nan 8.230 nan 0.000 0.425 835 E N 0.370 120.561 120.200 -0.016 0.000 2.340 835 E HA 0.927 5.275 4.350 -0.003 0.000 0.273 835 E C -1.531 174.987 176.600 -0.137 0.000 0.891 835 E CA -1.078 55.348 56.400 0.044 0.000 0.757 835 E CB 2.607 32.412 29.700 0.174 0.000 1.231 835 E HN 0.730 nan 8.360 nan 0.000 0.439 836 A N 2.324 125.007 122.820 -0.228 0.000 2.566 836 A HA 0.618 4.936 4.320 -0.003 0.000 0.290 836 A C -2.977 173.953 177.584 -1.090 0.000 1.071 836 A CA -1.433 50.077 52.037 -0.879 0.000 0.658 836 A CB 1.214 19.842 19.000 -0.620 0.000 1.285 836 A HN 0.507 nan 8.150 nan 0.000 0.427 837 P HA 0.104 nan 4.420 nan 0.000 0.267 837 P C 0.488 177.493 177.300 -0.491 0.000 1.200 837 P CA 0.059 62.508 63.100 -1.084 0.000 0.772 837 P CB 0.562 31.786 31.700 -0.794 0.000 0.855 838 K N 1.897 122.147 120.400 -0.249 0.000 2.152 838 K HA -0.204 4.114 4.320 -0.003 0.000 0.206 838 K C 0.855 177.344 176.600 -0.186 0.000 1.048 838 K CA 1.738 57.932 56.287 -0.154 0.000 0.933 838 K CB -0.436 32.043 32.500 -0.035 0.000 0.721 838 K HN 0.238 nan 8.250 nan 0.000 0.447 839 E N 1.281 121.370 120.200 -0.185 0.000 2.409 839 E HA -0.094 4.254 4.350 -0.003 0.000 0.198 839 E C 1.007 177.483 176.600 -0.207 0.000 1.024 839 E CA 0.945 57.248 56.400 -0.161 0.000 0.861 839 E CB 0.105 29.726 29.700 -0.131 0.000 0.788 839 E HN 0.509 nan 8.360 nan 0.000 0.521 840 E N -0.613 119.415 120.200 -0.287 0.000 2.476 840 E HA 0.059 4.408 4.350 -0.003 0.000 0.199 840 E C 1.299 177.691 176.600 -0.346 0.000 1.021 840 E CA -0.158 56.054 56.400 -0.313 0.000 0.907 840 E CB 0.186 29.657 29.700 -0.382 0.000 0.974 840 E HN 0.203 nan 8.360 nan 0.000 0.489 841 M N 0.853 120.236 119.600 -0.362 0.000 2.080 841 M HA -0.193 4.286 4.480 -0.003 0.000 0.260 841 M C 1.849 177.962 176.300 -0.313 0.000 1.068 841 M CA 1.687 56.718 55.300 -0.448 0.000 1.109 841 M CB -0.894 31.272 32.600 -0.724 0.000 1.342 841 M HN 0.138 nan 8.290 nan 0.000 0.405 842 E N -0.464 119.611 120.200 -0.208 0.000 2.085 842 E HA -0.196 4.152 4.350 -0.003 0.000 0.194 842 E C 2.233 178.744 176.600 -0.148 0.000 0.994 842 E CA 0.986 57.318 56.400 -0.114 0.000 0.801 842 E CB -0.188 29.469 29.700 -0.071 0.000 0.743 842 E HN 0.498 nan 8.360 nan 0.000 0.453 843 R N 0.150 120.533 120.500 -0.195 0.000 2.092 843 R HA -0.103 4.235 4.340 -0.003 0.000 0.231 843 R C 2.300 178.428 176.300 -0.288 0.000 1.119 843 R CA 0.666 56.642 56.100 -0.207 0.000 0.970 843 R CB -0.203 29.977 30.300 -0.201 0.000 0.864 843 R HN 0.100 nan 8.270 nan 0.000 0.440 844 L N 0.322 121.298 121.223 -0.413 0.000 2.083 844 L HA -0.169 4.169 4.340 -0.003 0.000 0.209 844 L C 2.301 178.804 176.870 -0.611 0.000 1.083 844 L CA 1.365 55.804 54.840 -0.669 0.000 0.752 844 L CB -0.731 40.669 42.059 -1.098 0.000 0.899 844 L HN 0.235 nan 8.230 nan 0.000 0.433 845 C N -1.067 118.035 119.300 -0.330 0.000 2.410 845 C HA -0.153 4.305 4.460 -0.003 0.000 0.281 845 C C 2.857 177.600 174.990 -0.413 0.000 1.318 845 C CA 0.721 59.578 59.018 -0.268 0.000 1.776 845 C CB -0.897 26.868 27.740 0.042 0.000 1.942 845 C HN 0.462 nan 8.230 nan 0.000 0.508 846 R N -0.898 119.445 120.500 -0.261 0.000 2.123 846 R HA 0.097 4.435 4.340 -0.003 0.000 0.209 846 R C 2.043 178.224 176.300 -0.198 0.000 1.078 846 R CA 0.417 56.401 56.100 -0.193 0.000 1.028 846 R CB -0.422 29.804 30.300 -0.122 0.000 0.939 846 R HN 0.333 nan 8.270 nan 0.000 0.463 847 L N 0.837 121.925 121.223 -0.225 0.000 2.005 847 L HA -0.105 4.233 4.340 -0.003 0.000 0.207 847 L C 1.975 178.726 176.870 -0.198 0.000 1.072 847 L CA 1.620 56.340 54.840 -0.200 0.000 0.744 847 L CB -0.360 41.570 42.059 -0.215 0.000 0.895 847 L HN -0.107 nan 8.230 nan 0.000 0.433 848 V N 1.370 121.128 119.914 -0.260 0.000 2.255 848 V HA -0.190 3.928 4.120 -0.003 0.000 0.247 848 V C -0.198 175.821 176.094 -0.126 0.000 1.051 848 V CA 2.378 64.569 62.300 -0.182 0.000 1.018 848 V CB -2.249 29.484 31.823 -0.150 0.000 0.641 848 V HN 0.420 nan 8.190 nan 0.000 0.445 849 P HA -0.188 nan 4.420 nan 0.000 0.217 849 P C 1.527 178.781 177.300 -0.077 0.000 1.150 849 P CA 1.800 64.838 63.100 -0.103 0.000 0.832 849 P CB 0.157 31.802 31.700 -0.092 0.000 0.787 850 E N 0.527 120.677 120.200 -0.084 0.000 2.051 850 E HA -0.127 4.222 4.350 -0.003 0.000 0.192 850 E C 2.005 178.579 176.600 -0.043 0.000 0.991 850 E CA 1.235 57.603 56.400 -0.054 0.000 0.799 850 E CB -1.274 28.388 29.700 -0.063 0.000 0.748 850 E HN -0.074 nan 8.360 nan 0.000 0.449 851 V N 0.587 120.465 119.914 -0.060 0.000 2.343 851 V HA -0.291 3.827 4.120 -0.003 0.000 0.247 851 V C 2.487 178.572 176.094 -0.015 0.000 1.051 851 V CA 2.214 64.488 62.300 -0.043 0.000 1.036 851 V CB -0.498 31.289 31.823 -0.060 0.000 0.654 851 V HN 0.368 nan 8.190 nan 0.000 0.451 852 M N -0.781 118.797 119.600 -0.037 0.000 2.175 852 M HA -0.179 4.299 4.480 -0.003 0.000 0.264 852 M C 2.161 178.540 176.300 0.130 0.000 1.063 852 M CA 1.771 57.064 55.300 -0.012 0.000 1.119 852 M CB -0.436 31.993 32.600 -0.285 0.000 1.377 852 M HN 0.352 nan 8.290 nan 0.000 0.415 853 E N -0.236 120.001 120.200 0.062 0.000 2.208 853 E HA -0.145 4.203 4.350 -0.003 0.000 0.193 853 E C 1.706 178.346 176.600 0.066 0.000 0.988 853 E CA 0.677 57.140 56.400 0.105 0.000 0.828 853 E CB 0.141 29.871 29.700 0.050 0.000 0.763 853 E HN 0.432 nan 8.360 nan 0.000 0.478 854 Q N -0.619 119.201 119.800 0.034 0.000 2.319 854 Q HA 0.195 4.533 4.340 -0.003 0.000 0.202 854 Q C 1.691 177.694 176.000 0.005 0.000 0.896 854 Q CA 0.281 56.090 55.803 0.010 0.000 0.942 854 Q CB 0.694 29.429 28.738 -0.005 0.000 1.083 854 Q HN 0.192 nan 8.270 nan 0.000 0.510 855 A N 1.063 123.899 122.820 0.027 0.000 1.927 855 A HA -0.075 4.243 4.320 -0.003 0.000 0.220 855 A C 1.315 178.885 177.584 -0.023 0.000 1.185 855 A CA 1.917 53.962 52.037 0.014 0.000 0.639 855 A CB -0.222 18.810 19.000 0.053 0.000 0.820 855 A HN 0.245 nan 8.150 nan 0.000 0.451 856 V N -5.479 114.408 119.914 -0.044 0.000 3.159 856 V HA 0.722 4.840 4.120 -0.003 0.000 0.308 856 V C -0.696 175.347 176.094 -0.086 0.000 1.190 856 V CA -0.528 61.724 62.300 -0.080 0.000 1.037 856 V CB 1.710 33.455 31.823 -0.129 0.000 1.060 856 V HN 0.032 nan 8.190 nan 0.000 0.437 857 T N 3.998 118.497 114.554 -0.091 0.000 2.772 857 T HA 0.725 5.073 4.350 -0.003 0.000 0.288 857 T C -0.297 174.329 174.700 -0.123 0.000 0.994 857 T CA -0.210 61.844 62.100 -0.076 0.000 0.951 857 T CB 0.698 69.546 68.868 -0.034 0.000 0.933 857 T HN 0.641 nan 8.240 nan 0.000 0.447 858 L N 2.164 123.296 121.223 -0.151 0.000 2.299 858 L HA 0.565 4.904 4.340 -0.003 0.000 0.268 858 L C 1.691 178.600 176.870 0.065 0.000 1.012 858 L CA -1.226 53.483 54.840 -0.219 0.000 0.816 858 L CB 1.154 42.984 42.059 -0.381 0.000 1.355 858 L HN 0.513 nan 8.230 nan 0.000 0.457 859 R N -0.129 120.567 120.500 0.327 0.000 2.280 859 R HA 0.015 4.353 4.340 -0.003 0.000 0.207 859 R C -0.103 176.260 176.300 0.105 0.000 1.043 859 R CA 0.440 56.652 56.100 0.187 0.000 1.006 859 R CB -0.183 30.209 30.300 0.153 0.000 0.885 859 R HN 0.507 nan 8.270 nan 0.000 0.467 860 V N -2.697 117.262 119.914 0.075 0.000 3.001 860 V HA 0.577 4.696 4.120 -0.003 0.000 0.314 860 V C -2.801 173.290 176.094 -0.004 0.000 1.099 860 V CA -3.259 59.069 62.300 0.047 0.000 0.989 860 V CB 2.194 34.050 31.823 0.055 0.000 1.040 860 V HN -0.205 nan 8.190 nan 0.000 0.434 861 P HA 0.455 nan 4.420 nan 0.000 0.274 861 P C -0.916 176.360 177.300 -0.040 0.000 1.237 861 P CA -0.278 62.822 63.100 -0.001 0.000 0.793 861 P CB 0.488 32.207 31.700 0.031 0.000 0.977 862 L N 1.596 122.809 121.223 -0.017 0.000 2.325 862 L HA 0.508 4.846 4.340 -0.003 0.000 0.278 862 L C 0.439 177.350 176.870 0.068 0.000 1.023 862 L CA -0.617 54.225 54.840 0.004 0.000 0.811 862 L CB 1.423 43.509 42.059 0.044 0.000 1.249 862 L HN 0.297 nan 8.230 nan 0.000 0.431 863 K N 2.360 122.816 120.400 0.094 0.000 2.378 863 K HA 0.675 4.994 4.320 -0.003 0.000 0.252 863 K C -1.752 174.912 176.600 0.107 0.000 0.931 863 K CA -0.561 55.779 56.287 0.089 0.000 0.794 863 K CB 2.270 34.811 32.500 0.069 0.000 1.181 863 K HN 0.328 nan 8.250 nan 0.000 0.425 864 V N 3.814 123.761 119.914 0.056 0.000 2.531 864 V HA 0.274 4.392 4.120 -0.003 0.000 0.301 864 V C -0.800 175.328 176.094 0.056 0.000 1.034 864 V CA -0.945 61.352 62.300 -0.006 0.000 0.865 864 V CB 1.789 33.541 31.823 -0.119 0.000 0.995 864 V HN 0.827 nan 8.190 nan 0.000 0.424 865 D N 3.236 123.636 120.400 0.001 0.000 2.277 865 D HA 0.649 5.288 4.640 -0.003 0.000 0.250 865 D C -0.863 175.350 176.300 -0.146 0.000 1.032 865 D CA 0.163 54.090 54.000 -0.121 0.000 0.947 865 D CB 2.143 42.861 40.800 -0.136 0.000 1.159 865 D HN 0.600 nan 8.370 nan 0.000 0.460 866 Y N -2.333 117.654 120.300 -0.521 0.000 2.609 866 Y HA 0.611 5.159 4.550 -0.003 0.000 0.336 866 Y C -0.975 174.329 175.900 -0.993 0.000 1.129 866 Y CA -0.975 56.746 58.100 -0.630 0.000 1.040 866 Y CB 1.601 39.809 38.460 -0.421 0.000 1.310 866 Y HN 0.292 nan 8.280 nan 0.000 0.460 867 H N 0.755 119.645 119.070 -0.300 0.000 3.042 867 H HA 0.448 5.002 4.556 -0.003 0.000 0.346 867 H C -1.827 173.371 175.328 -0.217 0.000 1.294 867 H CA -0.970 54.921 56.048 -0.263 0.000 1.141 867 H CB 2.638 32.264 29.762 -0.228 0.000 1.872 867 H HN 0.892 nan 8.280 nan 0.000 0.541 868 Y N -1.221 119.076 120.300 -0.006 0.000 2.597 868 Y HA 0.751 5.299 4.550 -0.003 0.000 0.340 868 Y C -0.416 175.538 175.900 0.091 0.000 1.097 868 Y CA -0.778 57.347 58.100 0.042 0.000 1.037 868 Y CB 1.774 40.327 38.460 0.154 0.000 1.305 868 Y HN 0.948 nan 8.280 nan 0.000 0.463 869 G N -0.005 108.976 108.800 0.302 0.000 2.488 869 G HA2 0.349 4.307 3.960 -0.003 0.000 0.301 869 G HA3 0.349 4.307 3.960 -0.003 0.000 0.301 869 G C -0.661 174.381 174.900 0.237 0.000 1.339 869 G CA -0.492 44.733 45.100 0.210 0.000 0.803 869 G HN 0.614 nan 8.290 nan 0.000 0.482 870 S N -0.772 115.044 115.700 0.193 0.000 2.474 870 S HA 0.161 4.629 4.470 -0.003 0.000 0.235 870 S C 1.195 175.912 174.600 0.195 0.000 0.997 870 S CA 1.554 59.863 58.200 0.181 0.000 0.949 870 S CB -0.289 62.996 63.200 0.142 0.000 0.766 870 S HN 1.290 nan 8.310 nan 0.000 0.517 871 T N -3.807 110.885 114.554 0.231 0.000 2.841 871 T HA 0.320 4.669 4.350 -0.003 0.000 0.296 871 T C -0.055 174.870 174.700 0.375 0.000 1.166 871 T CA -0.809 61.462 62.100 0.285 0.000 1.007 871 T CB 0.717 69.747 68.868 0.270 0.000 1.253 871 T HN 0.118 nan 8.240 nan 0.000 0.511 872 W N 0.603 122.025 121.300 0.204 0.000 2.342 872 W HA -0.107 4.551 4.660 -0.003 0.000 0.297 872 W C 1.884 178.483 176.519 0.133 0.000 1.213 872 W CA 1.101 58.538 57.345 0.154 0.000 1.251 872 W CB -1.122 28.424 29.460 0.142 0.000 1.136 872 W HN 0.908 nan 8.180 nan 0.000 0.526 873 Y N 1.557 121.969 120.300 0.187 0.000 2.165 873 Y HA -0.256 4.292 4.550 -0.003 0.000 0.286 873 Y C 2.130 178.036 175.900 0.011 0.000 1.155 873 Y CA 2.641 60.743 58.100 0.003 0.000 1.164 873 Y CB -0.601 37.865 38.460 0.009 0.000 0.978 873 Y HN -0.138 nan 8.280 nan 0.000 0.513 874 D N 0.287 120.807 120.400 0.200 0.000 2.347 874 D HA 0.008 4.646 4.640 -0.003 0.000 0.215 874 D C 0.962 177.256 176.300 -0.011 0.000 0.976 874 D CA 0.921 54.959 54.000 0.064 0.000 0.884 874 D CB -0.171 40.725 40.800 0.159 0.000 0.915 874 D HN 0.371 nan 8.370 nan 0.000 0.526 875 A N 1.820 124.686 122.820 0.077 0.000 2.958 875 A HA 0.105 4.424 4.320 -0.003 0.000 0.247 875 A C 0.652 178.218 177.584 -0.030 0.000 1.679 875 A CA -0.082 52.008 52.037 0.088 0.000 1.345 875 A CB -0.764 18.371 19.000 0.226 0.000 1.013 875 A HN 0.199 nan 8.150 nan 0.000 0.641 876 K N 0.000 120.260 120.400 -0.233 0.000 2.780 876 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 876 K CA 0.000 55.960 56.287 -0.544 0.000 0.838 876 K CB 0.000 32.213 32.500 -0.479 0.000 1.064 876 K HN 0.000 nan 8.250 nan 0.000 0.543