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 1lv5_1_B DATA FIRST_RESID 297 DATA SEQUENCE AKMAFTLADR VTEEMLADKA ALVVEVVEEN YHAAPIVGIA 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 0.004 0.000 1.274 297 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 297 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 298 K N 1.760 122.164 120.400 0.006 0.000 2.156 298 K HA 0.885 5.204 4.320 -0.001 0.000 0.254 298 K C -0.191 176.429 176.600 0.034 0.000 0.950 298 K CA 0.042 56.345 56.287 0.027 0.000 0.849 298 K CB 1.668 34.174 32.500 0.011 0.000 1.100 298 K HN 1.414 nan 8.250 nan 0.000 0.434 299 M N 1.637 121.287 119.600 0.084 0.000 2.444 299 M HA 0.645 5.124 4.480 -0.001 0.000 0.319 299 M C 0.083 176.441 176.300 0.097 0.000 1.183 299 M CA -0.702 54.652 55.300 0.090 0.000 1.032 299 M CB 1.704 34.375 32.600 0.119 0.000 1.569 299 M HN 0.786 nan 8.290 nan 0.000 0.468 300 A N 4.226 127.066 122.820 0.033 0.000 2.354 300 A HA 0.600 4.919 4.320 -0.001 0.000 0.281 300 A C -1.112 176.482 177.584 0.016 0.000 1.174 300 A CA -0.356 51.651 52.037 -0.050 0.000 0.828 300 A CB -0.496 18.460 19.000 -0.074 0.000 1.099 300 A HN 0.775 nan 8.150 nan 0.000 0.516 301 F N -0.294 119.590 119.950 -0.109 0.000 2.678 301 F HA 0.650 5.176 4.527 -0.001 0.000 0.308 301 F C -0.474 175.264 175.800 -0.103 0.000 1.118 301 F CA -0.827 57.084 58.000 -0.149 0.000 0.959 301 F CB 0.781 39.727 39.000 -0.090 0.000 1.305 301 F HN 0.254 nan 8.300 nan 0.000 0.443 302 T N 3.547 118.143 114.554 0.070 0.000 2.817 302 T HA 0.422 4.771 4.350 -0.001 0.000 0.293 302 T C -0.415 174.539 174.700 0.424 0.000 0.964 302 T CA -0.273 61.910 62.100 0.140 0.000 1.085 302 T CB 1.139 70.151 68.868 0.240 0.000 0.921 302 T HN 0.773 nan 8.240 nan 0.000 0.502 303 L N 3.609 125.008 121.223 0.293 0.000 2.504 303 L HA 0.580 4.919 4.340 -0.001 0.000 0.249 303 L C 0.736 177.759 176.870 0.255 0.000 1.120 303 L CA -0.579 54.504 54.840 0.404 0.000 0.997 303 L CB -0.427 41.831 42.059 0.331 0.000 1.349 303 L HN 0.809 nan 8.230 nan 0.000 0.439 304 A N 1.673 124.635 122.820 0.236 0.000 2.504 304 A HA 0.024 4.343 4.320 -0.001 0.000 0.242 304 A C 0.527 178.152 177.584 0.068 0.000 1.100 304 A CA 0.430 52.535 52.037 0.114 0.000 0.786 304 A CB 0.211 19.234 19.000 0.040 0.000 1.050 304 A HN 0.746 nan 8.150 nan 0.000 0.512 305 D N -0.885 119.527 120.400 0.021 0.000 2.929 305 D HA 0.102 4.741 4.640 -0.001 0.000 0.291 305 D C 0.856 177.138 176.300 -0.030 0.000 1.086 305 D CA 0.695 54.699 54.000 0.006 0.000 0.971 305 D CB 0.226 41.032 40.800 0.009 0.000 1.275 305 D HN 0.724 nan 8.370 nan 0.000 0.469 306 R N 0.118 120.592 120.500 -0.044 0.000 2.797 306 R HA 0.610 4.949 4.340 -0.001 0.000 0.251 306 R C -0.641 175.594 176.300 -0.107 0.000 1.107 306 R CA -0.661 55.400 56.100 -0.064 0.000 1.084 306 R CB 0.945 31.217 30.300 -0.047 0.000 1.205 306 R HN -0.309 nan 8.270 nan 0.000 0.515 307 V N 1.671 121.515 119.914 -0.116 0.000 2.383 307 V HA 0.319 4.438 4.120 -0.001 0.000 0.275 307 V C 0.038 176.053 176.094 -0.131 0.000 1.036 307 V CA -0.249 61.957 62.300 -0.156 0.000 0.889 307 V CB 1.074 32.834 31.823 -0.104 0.000 0.985 307 V HN 0.985 nan 8.190 nan 0.000 0.459 308 T N 0.409 114.850 114.554 -0.189 0.000 2.945 308 T HA 0.365 4.714 4.350 -0.001 0.000 0.286 308 T C 0.962 175.548 174.700 -0.191 0.000 1.025 308 T CA -0.438 61.565 62.100 -0.162 0.000 1.039 308 T CB 1.742 70.517 68.868 -0.155 0.000 1.068 308 T HN 0.701 nan 8.240 nan 0.000 0.497 309 E N 0.727 120.843 120.200 -0.140 0.000 2.187 309 E HA -0.306 4.043 4.350 -0.001 0.000 0.199 309 E C 1.820 178.316 176.600 -0.174 0.000 1.004 309 E CA 2.047 58.367 56.400 -0.132 0.000 0.813 309 E CB -0.110 29.534 29.700 -0.094 0.000 0.736 309 E HN 0.893 nan 8.360 nan 0.000 0.468 310 E N 0.177 120.249 120.200 -0.213 0.000 2.118 310 E HA -0.224 4.126 4.350 -0.001 0.000 0.195 310 E C 1.539 177.991 176.600 -0.246 0.000 0.992 310 E CA 1.235 57.519 56.400 -0.193 0.000 0.804 310 E CB -0.416 29.186 29.700 -0.164 0.000 0.741 310 E HN 0.367 nan 8.360 nan 0.000 0.458 311 M N 0.982 120.266 119.600 -0.527 0.000 2.781 311 M HA 0.148 4.627 4.480 -0.001 0.000 0.208 311 M C 0.086 176.032 176.300 -0.591 0.000 1.231 311 M CA 0.581 55.477 55.300 -0.675 0.000 1.029 311 M CB 0.015 32.193 32.600 -0.704 0.000 1.753 311 M HN 0.149 nan 8.290 nan 0.000 0.448 312 L N -0.617 120.328 121.223 -0.463 0.000 3.313 312 L HA 0.424 4.763 4.340 -0.001 0.000 0.339 312 L C 0.617 177.398 176.870 -0.148 0.000 1.309 312 L CA -0.605 53.850 54.840 -0.641 0.000 0.867 312 L CB 0.024 41.841 42.059 -0.403 0.000 1.316 312 L HN 0.174 nan 8.230 nan 0.000 0.604 313 A N 0.595 123.421 122.820 0.010 0.000 2.433 313 A HA 0.084 4.403 4.320 -0.001 0.000 0.250 313 A C 1.264 179.017 177.584 0.281 0.000 1.113 313 A CA 0.805 52.956 52.037 0.190 0.000 0.794 313 A CB 0.211 19.304 19.000 0.156 0.000 1.067 313 A HN 0.528 nan 8.150 nan 0.000 0.510 314 D N -0.694 119.846 120.400 0.234 0.000 2.137 314 D HA 0.005 4.644 4.640 -0.001 0.000 0.202 314 D C 0.498 176.927 176.300 0.215 0.000 0.970 314 D CA 1.042 55.169 54.000 0.211 0.000 0.837 314 D CB 0.000 40.885 40.800 0.141 0.000 0.981 314 D HN 0.232 nan 8.370 nan 0.000 0.475 315 K N 0.677 121.214 120.400 0.229 0.000 2.244 315 K HA 0.714 5.033 4.320 -0.001 0.000 0.260 315 K C -1.323 175.532 176.600 0.426 0.000 0.951 315 K CA -0.859 55.569 56.287 0.235 0.000 0.826 315 K CB 1.882 34.463 32.500 0.136 0.000 1.108 315 K HN 0.213 nan 8.250 nan 0.000 0.433 316 A N 1.891 124.983 122.820 0.453 0.000 2.612 316 A HA 0.756 5.076 4.320 -0.001 0.000 0.293 316 A C -1.593 176.305 177.584 0.524 0.000 1.075 316 A CA -0.555 51.842 52.037 0.599 0.000 0.680 316 A CB 1.333 20.624 19.000 0.484 0.000 1.279 316 A HN 0.640 nan 8.150 nan 0.000 0.411 317 A N 0.412 123.569 122.820 0.563 0.000 2.292 317 A HA 0.716 5.036 4.320 -0.001 0.000 0.319 317 A C -0.869 176.895 177.584 0.299 0.000 1.206 317 A CA -0.317 51.967 52.037 0.411 0.000 0.835 317 A CB 0.551 19.825 19.000 0.456 0.000 1.164 317 A HN 1.830 nan 8.150 nan 0.000 0.505 318 L N 3.150 124.524 121.223 0.252 0.000 2.401 318 L HA 0.764 5.103 4.340 -0.001 0.000 0.266 318 L C -1.228 175.741 176.870 0.165 0.000 0.991 318 L CA -0.350 54.638 54.840 0.246 0.000 0.818 318 L CB 2.379 44.621 42.059 0.306 0.000 1.321 318 L HN 0.420 nan 8.230 nan 0.000 0.413 319 V N 5.083 125.082 119.914 0.141 0.000 2.483 319 V HA 0.549 4.668 4.120 -0.001 0.000 0.297 319 V C -0.869 175.276 176.094 0.085 0.000 1.027 319 V CA -0.618 61.737 62.300 0.091 0.000 0.855 319 V CB 1.922 33.773 31.823 0.048 0.000 0.995 319 V HN 0.482 nan 8.190 nan 0.000 0.424 320 V N 3.738 123.694 119.914 0.069 0.000 2.327 320 V HA 0.354 4.474 4.120 -0.001 0.000 0.272 320 V C -0.058 176.055 176.094 0.033 0.000 1.019 320 V CA -0.595 61.739 62.300 0.056 0.000 0.814 320 V CB 1.329 33.186 31.823 0.056 0.000 1.040 320 V HN 0.945 nan 8.190 nan 0.000 0.440 321 E N 3.284 123.507 120.200 0.039 0.000 2.316 321 E HA 0.477 4.826 4.350 -0.001 0.000 0.275 321 E C -0.910 175.705 176.600 0.026 0.000 1.029 321 E CA 0.038 56.466 56.400 0.048 0.000 0.871 321 E CB 1.334 31.088 29.700 0.091 0.000 1.022 321 E HN 0.442 nan 8.360 nan 0.000 0.418 322 V N 5.678 125.598 119.914 0.010 0.000 2.525 322 V HA 0.140 4.259 4.120 -0.001 0.000 0.299 322 V C 0.570 176.640 176.094 -0.040 0.000 1.034 322 V CA -0.647 61.647 62.300 -0.010 0.000 0.863 322 V CB 1.666 33.489 31.823 0.001 0.000 0.999 322 V HN 0.713 nan 8.190 nan 0.000 0.423 323 V N 1.814 121.666 119.914 -0.102 0.000 2.992 323 V HA 0.113 4.232 4.120 -0.001 0.000 0.250 323 V C 1.071 177.085 176.094 -0.133 0.000 1.090 323 V CA 0.441 62.617 62.300 -0.207 0.000 1.101 323 V CB -0.226 31.373 31.823 -0.375 0.000 0.743 323 V HN 0.830 nan 8.190 nan 0.000 0.468 324 E N 0.855 121.007 120.200 -0.081 0.000 2.437 324 E HA -0.075 4.274 4.350 -0.001 0.000 0.263 324 E C 1.039 177.617 176.600 -0.037 0.000 1.030 324 E CA 0.234 56.597 56.400 -0.062 0.000 0.934 324 E CB 1.000 30.664 29.700 -0.059 0.000 0.943 324 E HN 0.465 nan 8.360 nan 0.000 0.444 325 E N 2.016 122.192 120.200 -0.040 0.000 2.051 325 E HA -0.169 4.180 4.350 -0.001 0.000 0.192 325 E C 0.561 177.124 176.600 -0.061 0.000 0.991 325 E CA 0.679 57.063 56.400 -0.028 0.000 0.799 325 E CB 0.218 29.900 29.700 -0.030 0.000 0.748 325 E HN 0.326 nan 8.360 nan 0.000 0.449 326 N N 0.349 118.989 118.700 -0.101 0.000 2.415 326 N HA -0.056 4.683 4.740 -0.001 0.000 0.246 326 N C -0.237 175.169 175.510 -0.174 0.000 1.078 326 N CA -0.131 52.802 53.050 -0.195 0.000 0.942 326 N CB 0.474 38.880 38.487 -0.135 0.000 1.140 326 N HN 0.213 nan 8.380 nan 0.000 0.501 327 Y N 1.614 121.833 120.300 -0.136 0.000 2.632 327 Y HA 0.187 4.737 4.550 -0.001 0.000 0.301 327 Y C 0.260 176.007 175.900 -0.256 0.000 1.172 327 Y CA -0.301 57.695 58.100 -0.173 0.000 1.328 327 Y CB -0.862 37.510 38.460 -0.146 0.000 1.016 327 Y HN 0.374 nan 8.280 nan 0.000 0.529 328 H N 1.882 120.862 119.070 -0.150 0.000 2.767 328 H HA 0.383 4.938 4.556 -0.001 0.000 0.316 328 H C 1.105 175.905 175.328 -0.881 0.000 1.059 328 H CA 0.179 55.959 56.048 -0.447 0.000 1.461 328 H CB 1.048 30.627 29.762 -0.305 0.000 1.475 328 H HN 0.400 nan 8.280 nan 0.000 0.531 329 A N 2.491 124.428 122.820 -1.471 0.000 2.783 329 A HA -0.161 4.159 4.320 -0.001 0.000 0.292 329 A C 0.717 178.068 177.584 -0.388 0.000 1.495 329 A CA 0.942 52.405 52.037 -0.956 0.000 0.787 329 A CB -1.759 16.648 19.000 -0.989 0.000 1.017 329 A HN 0.855 nan 8.150 nan 0.000 0.516 330 A N -0.614 122.052 122.820 -0.258 0.000 2.306 330 A HA 0.810 5.129 4.320 -0.001 0.000 0.330 330 A C -1.909 175.637 177.584 -0.065 0.000 1.146 330 A CA -1.585 50.377 52.037 -0.125 0.000 0.827 330 A CB 0.357 19.309 19.000 -0.080 0.000 1.178 330 A HN 0.325 nan 8.150 nan 0.000 0.490 331 P HA 0.294 nan 4.420 nan 0.000 0.269 331 P C -0.902 176.394 177.300 -0.006 0.000 1.215 331 P CA 0.140 63.230 63.100 -0.017 0.000 0.780 331 P CB 0.412 32.103 31.700 -0.015 0.000 0.898 332 I N 2.025 122.600 120.570 0.008 0.000 2.330 332 I HA 0.080 4.249 4.170 -0.001 0.000 0.289 332 I C 1.102 177.232 176.117 0.022 0.000 1.001 332 I CA -0.663 60.646 61.300 0.014 0.000 1.193 332 I CB 1.628 39.640 38.000 0.019 0.000 1.345 332 I HN 0.156 nan 8.210 nan 0.000 0.461 333 V N 2.632 122.567 119.914 0.035 0.000 3.577 333 V HA 0.596 4.715 4.120 -0.001 0.000 0.294 333 V C 0.588 176.749 176.094 0.110 0.000 1.317 333 V CA 0.074 62.418 62.300 0.073 0.000 1.169 333 V CB -0.681 31.196 31.823 0.090 0.000 1.011 333 V HN 0.949 nan 8.190 nan 0.000 0.426 334 G N 0.179 109.000 108.800 0.035 0.000 2.301 334 G HA2 0.374 4.333 3.960 -0.001 0.000 0.290 334 G HA3 0.374 4.333 3.960 -0.001 0.000 0.290 334 G C -1.619 173.195 174.900 -0.144 0.000 1.669 334 G CA -0.809 44.250 45.100 -0.068 0.000 0.945 334 G HN 0.156 nan 8.290 nan 0.000 0.710 335 I N 1.598 121.957 120.570 -0.351 0.000 2.354 335 I HA 0.709 4.878 4.170 -0.001 0.000 0.292 335 I C 0.672 176.649 176.117 -0.234 0.000 0.989 335 I CA -0.611 60.569 61.300 -0.200 0.000 1.188 335 I CB 1.845 39.751 38.000 -0.157 0.000 1.342 335 I HN 0.935 nan 8.210 nan 0.000 0.457 336 A N 6.356 129.146 122.820 -0.049 0.000 2.318 336 A HA 0.887 5.207 4.320 -0.001 0.000 0.324 336 A C -0.900 176.731 177.584 0.078 0.000 1.170 336 A CA -0.539 51.496 52.037 -0.004 0.000 0.810 336 A CB 1.075 20.075 19.000 -0.000 0.000 1.198 336 A HN 0.433 nan 8.150 nan 0.000 0.484 337 V N 2.396 122.379 119.914 0.116 0.000 2.656 337 V HA 0.630 4.749 4.120 -0.001 0.000 0.307 337 V C -0.680 175.506 176.094 0.152 0.000 1.051 337 V CA -0.534 61.870 62.300 0.173 0.000 0.893 337 V CB 1.850 33.772 31.823 0.165 0.000 0.999 337 V HN 0.680 nan 8.190 nan 0.000 0.426 338 V N 4.654 124.603 119.914 0.059 0.000 2.569 338 V HA 0.611 4.730 4.120 -0.001 0.000 0.301 338 V C -0.568 175.262 176.094 -0.440 0.000 1.044 338 V CA -0.479 61.720 62.300 -0.170 0.000 0.874 338 V CB 1.873 33.574 31.823 -0.202 0.000 1.002 338 V HN 1.166 nan 8.190 nan 0.000 0.424 339 N N 2.100 120.459 118.700 -0.568 0.000 3.316 339 N HA 0.340 5.079 4.740 -0.001 0.000 0.300 339 N C 0.805 175.875 175.510 -0.733 0.000 1.567 339 N CA -0.337 52.215 53.050 -0.830 0.000 0.821 339 N CB 0.701 39.053 38.487 -0.224 0.000 1.748 339 N HN 0.474 nan 8.380 nan 0.000 0.603 340 E N -0.671 119.219 120.200 -0.517 0.000 2.085 340 E HA -0.300 4.049 4.350 -0.001 0.000 0.194 340 E C 0.690 177.137 176.600 -0.256 0.000 0.994 340 E CA 1.719 57.916 56.400 -0.337 0.000 0.801 340 E CB -0.774 28.792 29.700 -0.224 0.000 0.743 340 E HN 0.731 nan 8.360 nan 0.000 0.453 341 H N 0.677 119.756 119.070 0.015 0.000 2.524 341 H HA 0.245 4.801 4.556 -0.001 0.000 0.282 341 H C 0.978 176.313 175.328 0.013 0.000 1.016 341 H CA 0.105 56.195 56.048 0.070 0.000 1.270 341 H CB 0.401 30.257 29.762 0.158 0.000 1.394 341 H HN 0.405 nan 8.280 nan 0.000 0.568 342 G N -0.373 108.368 108.800 -0.099 0.000 2.352 342 G HA2 0.141 4.100 3.960 -0.001 0.000 0.283 342 G HA3 0.141 4.100 3.960 -0.001 0.000 0.283 342 G C -1.630 172.820 174.900 -0.751 0.000 1.308 342 G CA -1.260 43.570 45.100 -0.450 0.000 0.892 342 G HN 0.139 nan 8.290 nan 0.000 0.504 343 R N -0.616 119.328 120.500 -0.927 0.000 2.534 343 R HA 0.723 5.063 4.340 -0.001 0.000 0.301 343 R C -1.434 174.413 176.300 -0.756 0.000 0.961 343 R CA -0.503 55.228 56.100 -0.615 0.000 0.871 343 R CB 1.574 31.733 30.300 -0.235 0.000 1.170 343 R HN 0.337 nan 8.270 nan 0.000 0.446 344 F N 1.639 121.623 119.950 0.058 0.000 2.588 344 F HA 0.485 5.011 4.527 -0.002 0.000 0.310 344 F C -0.505 175.334 175.800 0.064 0.000 1.082 344 F CA -1.184 56.882 58.000 0.109 0.000 0.929 344 F CB 1.228 40.243 39.000 0.025 0.000 1.254 344 F HN 0.334 nan 8.300 nan 0.000 0.455 345 F N 2.718 122.767 119.950 0.165 0.000 2.523 345 F HA 0.890 5.416 4.527 -0.002 0.000 0.329 345 F C -1.627 174.185 175.800 0.020 0.000 1.061 345 F CA -1.100 56.893 58.000 -0.012 0.000 0.967 345 F CB 1.246 40.184 39.000 -0.102 0.000 1.218 345 F HN 0.348 nan 8.300 nan 0.000 0.480 346 L N 4.151 124.644 121.223 -1.215 0.000 2.513 346 L HA 0.416 4.756 4.340 -0.001 0.000 0.261 346 L C -0.805 175.503 176.870 -0.937 0.000 0.945 346 L CA -1.075 53.287 54.840 -0.796 0.000 0.848 346 L CB 2.338 44.047 42.059 -0.583 0.000 1.334 346 L HN 0.582 nan 8.230 nan 0.000 0.407 347 R N 2.496 122.749 120.500 -0.411 0.000 2.590 347 R HA 0.152 4.492 4.340 -0.001 0.000 0.274 347 R C -1.656 174.514 176.300 -0.217 0.000 1.061 347 R CA -0.991 54.996 56.100 -0.188 0.000 1.081 347 R CB 0.556 30.847 30.300 -0.014 0.000 0.984 347 R HN 0.243 nan 8.270 nan 0.000 0.448 348 P HA -0.159 nan 4.420 nan 0.000 0.216 348 P C 0.080 177.338 177.300 -0.069 0.000 1.153 348 P CA 1.279 64.321 63.100 -0.097 0.000 0.848 348 P CB 0.212 31.892 31.700 -0.034 0.000 0.787 349 E N -1.211 118.964 120.200 -0.042 0.000 2.267 349 E HA -0.120 4.229 4.350 -0.001 0.000 0.197 349 E C 1.501 178.075 176.600 -0.042 0.000 0.998 349 E CA 1.290 57.676 56.400 -0.023 0.000 0.830 349 E CB -0.542 29.155 29.700 -0.004 0.000 0.751 349 E HN 0.331 nan 8.360 nan 0.000 0.491 350 T N 0.461 114.962 114.554 -0.088 0.000 2.866 350 T HA 0.039 4.388 4.350 -0.001 0.000 0.250 350 T C 2.028 176.630 174.700 -0.164 0.000 1.033 350 T CA 0.840 62.874 62.100 -0.110 0.000 1.145 350 T CB -0.151 68.639 68.868 -0.130 0.000 0.866 350 T HN 0.223 nan 8.240 nan 0.000 0.434 351 A N 1.595 124.230 122.820 -0.309 0.000 1.845 351 A HA 0.011 4.330 4.320 -0.001 0.000 0.215 351 A C 2.113 179.676 177.584 -0.034 0.000 1.195 351 A CA 1.311 53.026 52.037 -0.536 0.000 0.616 351 A CB -1.008 17.311 19.000 -1.135 0.000 0.832 351 A HN 0.333 nan 8.150 nan 0.000 0.443 352 L N -0.577 120.669 121.223 0.040 0.000 2.265 352 L HA -0.072 4.267 4.340 -0.001 0.000 0.215 352 L C 2.484 179.416 176.870 0.103 0.000 1.117 352 L CA 1.628 56.555 54.840 0.145 0.000 0.782 352 L CB -0.607 41.507 42.059 0.090 0.000 0.914 352 L HN 0.426 nan 8.230 nan 0.000 0.441 353 A N -2.434 120.418 122.820 0.053 0.000 2.348 353 A HA 0.061 4.380 4.320 -0.001 0.000 0.224 353 A C 0.671 178.285 177.584 0.050 0.000 1.227 353 A CA -0.177 51.887 52.037 0.044 0.000 0.885 353 A CB -0.232 18.780 19.000 0.020 0.000 0.933 353 A HN 0.210 nan 8.150 nan 0.000 0.506 354 D N 0.268 120.713 120.400 0.076 0.000 2.359 354 D HA 0.282 4.922 4.640 -0.001 0.000 0.230 354 D C -1.946 174.430 176.300 0.126 0.000 1.118 354 D CA -1.759 52.291 54.000 0.083 0.000 0.844 354 D CB 1.630 42.470 40.800 0.067 0.000 1.059 354 D HN -0.052 nan 8.370 nan 0.000 0.493 355 P HA -0.198 nan 4.420 nan 0.000 0.216 355 P C 1.392 178.747 177.300 0.091 0.000 1.154 355 P CA 1.296 64.441 63.100 0.075 0.000 0.865 355 P CB 0.353 32.082 31.700 0.048 0.000 0.789 356 Q N -1.696 118.162 119.800 0.097 0.000 2.020 356 Q HA -0.188 4.151 4.340 -0.001 0.000 0.202 356 Q C 2.202 178.301 176.000 0.165 0.000 0.982 356 Q CA 1.426 57.290 55.803 0.102 0.000 0.838 356 Q CB -1.283 27.499 28.738 0.074 0.000 0.899 356 Q HN 0.301 nan 8.270 nan 0.000 0.423 357 F N 1.462 121.442 119.950 0.050 0.000 2.060 357 F HA -0.169 4.357 4.527 -0.001 0.000 0.295 357 F C 2.375 178.298 175.800 0.205 0.000 1.120 357 F CA 0.917 58.984 58.000 0.111 0.000 1.205 357 F CB -0.359 38.661 39.000 0.032 0.000 0.986 357 F HN -0.214 nan 8.300 nan 0.000 0.470 358 V N 0.601 120.646 119.914 0.219 0.000 2.380 358 V HA -0.373 3.746 4.120 -0.001 0.000 0.251 358 V C 2.673 178.766 176.094 -0.001 0.000 1.063 358 V CA 1.827 64.180 62.300 0.089 0.000 1.055 358 V CB -1.645 30.240 31.823 0.104 0.000 0.657 358 V HN 0.496 nan 8.190 nan 0.000 0.455 359 A N -1.041 121.802 122.820 0.039 0.000 1.933 359 A HA -0.289 4.031 4.320 -0.001 0.000 0.218 359 A C 1.956 179.535 177.584 -0.008 0.000 1.175 359 A CA 1.984 54.031 52.037 0.017 0.000 0.628 359 A CB -0.858 18.171 19.000 0.047 0.000 0.814 359 A HN 0.789 nan 8.150 nan 0.000 0.444 360 W N 0.524 121.701 121.300 -0.206 0.000 2.436 360 W HA -0.040 4.620 4.660 -0.001 0.000 0.284 360 W C 1.551 177.891 176.519 -0.298 0.000 1.225 360 W CA 1.374 58.566 57.345 -0.254 0.000 1.271 360 W CB -0.224 29.040 29.460 -0.327 0.000 1.114 360 W HN 0.231 nan 8.180 nan 0.000 0.559 361 L N 0.510 121.439 121.223 -0.489 0.000 2.079 361 L HA -0.109 4.231 4.340 -0.001 0.000 0.210 361 L C 2.372 178.947 176.870 -0.491 0.000 1.081 361 L CA 1.523 55.992 54.840 -0.619 0.000 0.752 361 L CB -1.239 40.634 42.059 -0.311 0.000 0.896 361 L HN 0.253 nan 8.230 nan 0.000 0.433 362 G N -2.033 106.572 108.800 -0.325 0.000 3.284 362 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.236 362 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.236 362 G C 0.037 174.803 174.900 -0.224 0.000 1.158 362 G CA -0.243 44.715 45.100 -0.237 0.000 0.774 362 G HN 0.077 nan 8.290 nan 0.000 0.545 363 D N 0.919 121.140 120.400 -0.298 0.000 2.393 363 D HA 0.153 4.792 4.640 -0.001 0.000 0.232 363 D C 1.158 177.331 176.300 -0.212 0.000 1.192 363 D CA -0.184 53.688 54.000 -0.213 0.000 0.882 363 D CB 0.759 41.452 40.800 -0.178 0.000 1.038 363 D HN 0.290 nan 8.370 nan 0.000 0.499 364 E N 0.890 121.003 120.200 -0.146 0.000 2.331 364 E HA -0.167 4.182 4.350 -0.001 0.000 0.199 364 E C 1.635 178.180 176.600 -0.092 0.000 1.008 364 E CA 1.157 57.484 56.400 -0.121 0.000 0.843 364 E CB 0.237 29.884 29.700 -0.087 0.000 0.761 364 E HN 0.560 nan 8.360 nan 0.000 0.507 365 T N -1.113 113.397 114.554 -0.074 0.000 3.043 365 T HA 0.011 4.360 4.350 -0.001 0.000 0.263 365 T C 0.869 175.555 174.700 -0.024 0.000 1.094 365 T CA 0.123 62.201 62.100 -0.037 0.000 1.127 365 T CB 0.199 69.059 68.868 -0.014 0.000 0.905 365 T HN -0.200 nan 8.240 nan 0.000 0.490 366 K N 2.925 123.290 120.400 -0.058 0.000 2.250 366 K HA 0.311 4.631 4.320 -0.001 0.000 0.285 366 K C -0.287 176.276 176.600 -0.062 0.000 1.097 366 K CA -0.261 56.019 56.287 -0.013 0.000 0.913 366 K CB 0.741 33.208 32.500 -0.056 0.000 1.179 366 K HN 0.206 nan 8.250 nan 0.000 0.462 367 K N 2.758 123.163 120.400 0.008 0.000 2.339 367 K HA 0.185 4.504 4.320 -0.001 0.000 0.286 367 K C 0.098 176.724 176.600 0.043 0.000 1.050 367 K CA -0.371 55.915 56.287 -0.001 0.000 0.956 367 K CB 0.563 33.069 32.500 0.009 0.000 0.990 367 K HN 0.256 nan 8.250 nan 0.000 0.475 368 K N 0.507 120.912 120.400 0.009 0.000 2.221 368 K HA 0.441 4.761 4.320 -0.001 0.000 0.243 368 K C -0.533 176.124 176.600 0.095 0.000 0.968 368 K CA -0.545 55.783 56.287 0.069 0.000 0.846 368 K CB 1.691 34.184 32.500 -0.011 0.000 1.141 368 K HN 0.334 nan 8.250 nan 0.000 0.434 369 S N 1.528 117.320 115.700 0.154 0.000 2.502 369 S HA 0.662 5.131 4.470 -0.001 0.000 0.304 369 S C -0.799 173.906 174.600 0.176 0.000 1.097 369 S CA -0.847 57.469 58.200 0.193 0.000 1.045 369 S CB 0.617 63.921 63.200 0.174 0.000 1.019 369 S HN 0.452 nan 8.310 nan 0.000 0.481 370 M N 1.888 121.572 119.600 0.142 0.000 2.843 370 M HA 0.552 5.031 4.480 -0.001 0.000 0.273 370 M C -1.830 174.528 176.300 0.097 0.000 1.286 370 M CA -0.671 54.693 55.300 0.107 0.000 0.807 370 M CB 1.858 34.480 32.600 0.037 0.000 1.684 370 M HN 0.616 nan 8.290 nan 0.000 0.458 371 F N 1.629 121.550 119.950 -0.048 0.000 2.477 371 F HA 0.371 4.897 4.527 -0.001 0.000 0.335 371 F C -0.339 175.415 175.800 -0.076 0.000 1.130 371 F CA -0.195 57.760 58.000 -0.075 0.000 0.948 371 F CB 0.856 39.825 39.000 -0.053 0.000 1.154 371 F HN 0.705 nan 8.300 nan 0.000 0.439 372 D N 3.218 123.302 120.400 -0.527 0.000 2.956 372 D HA -0.220 4.419 4.640 -0.001 0.000 0.240 372 D C 0.950 177.120 176.300 -0.218 0.000 1.141 372 D CA 1.025 54.810 54.000 -0.358 0.000 0.820 372 D CB -0.635 40.014 40.800 -0.252 0.000 0.988 372 D HN 0.597 nan 8.370 nan 0.000 0.417 373 S N 0.863 116.439 115.700 -0.207 0.000 2.447 373 S HA -0.200 4.269 4.470 -0.001 0.000 0.233 373 S C 1.837 176.314 174.600 -0.205 0.000 1.006 373 S CA 1.274 59.374 58.200 -0.166 0.000 0.957 373 S CB 0.036 63.150 63.200 -0.144 0.000 0.773 373 S HN 0.523 nan 8.310 nan 0.000 0.507 374 K N 1.633 121.894 120.400 -0.233 0.000 2.097 374 K HA -0.049 4.270 4.320 -0.001 0.000 0.206 374 K C 2.526 178.832 176.600 -0.490 0.000 1.049 374 K CA 1.094 57.226 56.287 -0.258 0.000 0.933 374 K CB -0.200 32.200 32.500 -0.167 0.000 0.717 374 K HN 0.449 nan 8.250 nan 0.000 0.442 375 R N 0.059 120.192 120.500 -0.611 0.000 2.081 375 R HA -0.124 4.215 4.340 -0.001 0.000 0.235 375 R C 2.059 178.058 176.300 -0.502 0.000 1.131 375 R CA 1.486 57.025 56.100 -0.935 0.000 0.960 375 R CB -0.303 29.689 30.300 -0.513 0.000 0.856 375 R HN 0.262 nan 8.270 nan 0.000 0.436 376 A N 0.672 123.322 122.820 -0.285 0.000 1.898 376 A HA -0.030 4.289 4.320 -0.001 0.000 0.216 376 A C 2.367 179.851 177.584 -0.166 0.000 1.181 376 A CA 1.484 53.422 52.037 -0.165 0.000 0.620 376 A CB -0.773 18.166 19.000 -0.101 0.000 0.819 376 A HN 0.540 nan 8.150 nan 0.000 0.442 377 A N -0.495 122.208 122.820 -0.196 0.000 1.877 377 A HA -0.016 4.303 4.320 -0.001 0.000 0.216 377 A C 2.246 179.711 177.584 -0.199 0.000 1.186 377 A CA 1.910 53.838 52.037 -0.183 0.000 0.620 377 A CB -0.985 17.913 19.000 -0.170 0.000 0.822 377 A HN 0.390 nan 8.150 nan 0.000 0.443 378 V N -0.151 119.642 119.914 -0.201 0.000 2.307 378 V HA -0.213 3.906 4.120 -0.001 0.000 0.245 378 V C 3.073 179.208 176.094 0.069 0.000 1.045 378 V CA 1.861 64.104 62.300 -0.095 0.000 1.024 378 V CB -1.324 30.525 31.823 0.044 0.000 0.651 378 V HN 0.617 nan 8.190 nan 0.000 0.449 379 A N -0.175 122.654 122.820 0.014 0.000 1.917 379 A HA -0.200 4.119 4.320 -0.001 0.000 0.219 379 A C 2.212 179.849 177.584 0.089 0.000 1.182 379 A CA 2.002 54.096 52.037 0.096 0.000 0.633 379 A CB -0.583 18.410 19.000 -0.011 0.000 0.819 379 A HN 0.519 nan 8.150 nan 0.000 0.448 380 L N -1.256 119.954 121.223 -0.022 0.000 2.156 380 L HA -0.107 4.233 4.340 -0.001 0.000 0.208 380 L C 2.422 179.222 176.870 -0.116 0.000 1.095 380 L CA 1.219 56.034 54.840 -0.041 0.000 0.770 380 L CB -0.315 41.705 42.059 -0.066 0.000 0.914 380 L HN 0.330 nan 8.230 nan 0.000 0.439 381 K N -0.769 119.460 120.400 -0.285 0.000 2.283 381 K HA -0.173 4.147 4.320 -0.001 0.000 0.202 381 K C 1.712 177.944 176.600 -0.615 0.000 1.048 381 K CA 1.326 57.226 56.287 -0.644 0.000 0.948 381 K CB -0.093 31.643 32.500 -1.273 0.000 0.742 381 K HN 0.313 nan 8.250 nan 0.000 0.458 382 W N 0.826 121.961 121.300 -0.275 0.000 2.863 382 W HA 0.029 4.688 4.660 -0.002 0.000 0.258 382 W C 1.542 178.056 176.519 -0.009 0.000 1.298 382 W CA 0.078 57.394 57.345 -0.049 0.000 1.451 382 W CB 0.498 29.965 29.460 0.012 0.000 1.107 382 W HN -0.190 nan 8.180 nan 0.000 0.641 383 K N -0.177 120.310 120.400 0.145 0.000 2.393 383 K HA 0.225 4.544 4.320 -0.001 0.000 0.193 383 K C 1.377 178.013 176.600 0.061 0.000 1.026 383 K CA 0.881 57.229 56.287 0.103 0.000 1.064 383 K CB 0.210 32.754 32.500 0.073 0.000 0.833 383 K HN 0.115 nan 8.250 nan 0.000 0.521 384 G N 1.989 110.803 108.800 0.023 0.000 2.149 384 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.235 384 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.235 384 G C -0.038 174.855 174.900 -0.012 0.000 1.018 384 G CA -0.064 45.042 45.100 0.011 0.000 0.728 384 G HN 0.258 nan 8.290 nan 0.000 0.508 385 I N -0.027 120.519 120.570 -0.041 0.000 2.509 385 I HA 0.466 4.635 4.170 -0.001 0.000 0.293 385 I C 0.108 176.168 176.117 -0.094 0.000 1.020 385 I CA -0.841 60.432 61.300 -0.045 0.000 1.088 385 I CB 2.096 40.088 38.000 -0.013 0.000 1.267 385 I HN 0.140 nan 8.210 nan 0.000 0.430 386 E N 5.240 125.383 120.200 -0.095 0.000 2.175 386 E HA 0.436 4.785 4.350 -0.001 0.000 0.278 386 E C -1.573 174.939 176.600 -0.146 0.000 0.969 386 E CA -0.880 55.448 56.400 -0.120 0.000 0.796 386 E CB 1.828 31.471 29.700 -0.096 0.000 1.104 386 E HN 0.337 nan 8.360 nan 0.000 0.395 387 L N 5.445 126.572 121.223 -0.161 0.000 2.296 387 L HA 0.444 4.783 4.340 -0.001 0.000 0.286 387 L C -1.425 175.334 176.870 -0.185 0.000 1.023 387 L CA -0.165 54.559 54.840 -0.193 0.000 0.812 387 L CB 0.760 42.712 42.059 -0.177 0.000 1.223 387 L HN 0.684 nan 8.230 nan 0.000 0.421 388 C N 2.054 121.221 119.300 -0.222 0.000 3.154 388 C HA 0.811 5.271 4.460 -0.001 0.000 0.312 388 C C 1.052 175.916 174.990 -0.210 0.000 1.349 388 C CA -0.220 58.686 59.018 -0.185 0.000 1.518 388 C CB 1.323 28.968 27.740 -0.159 0.000 1.934 388 C HN 1.077 nan 8.230 nan 0.000 0.462 389 G N 0.256 108.963 108.800 -0.154 0.000 2.148 389 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.254 389 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.254 389 G C -0.094 174.739 174.900 -0.111 0.000 0.981 389 G CA 0.310 45.328 45.100 -0.137 0.000 0.670 389 G HN 0.957 nan 8.290 nan 0.000 0.528 390 V N 1.773 121.623 119.914 -0.107 0.000 2.450 390 V HA 0.381 4.500 4.120 -0.001 0.000 0.281 390 V C 1.526 177.599 176.094 -0.035 0.000 1.019 390 V CA 1.134 63.392 62.300 -0.071 0.000 1.062 390 V CB 1.204 32.976 31.823 -0.086 0.000 0.979 390 V HN 0.902 nan 8.190 nan 0.000 0.477 391 S N 3.861 119.568 115.700 0.013 0.000 2.539 391 S HA 0.348 4.817 4.470 -0.001 0.000 0.221 391 S C -0.265 174.425 174.600 0.150 0.000 0.987 391 S CA -0.231 57.996 58.200 0.046 0.000 0.929 391 S CB 0.073 63.293 63.200 0.033 0.000 0.832 391 S HN 0.583 nan 8.310 nan 0.000 0.492 392 F N 1.506 121.420 119.950 -0.059 0.000 2.639 392 F HA 0.420 4.947 4.527 -0.001 0.000 0.326 392 F C -2.218 173.542 175.800 -0.067 0.000 1.150 392 F CA -0.775 57.190 58.000 -0.059 0.000 1.057 392 F CB 1.499 40.460 39.000 -0.065 0.000 1.300 392 F HN 0.022 nan 8.300 nan 0.000 0.486 393 D N 6.398 126.435 120.400 -0.605 0.000 2.454 393 D HA 0.164 4.803 4.640 -0.001 0.000 0.247 393 D C 0.754 176.640 176.300 -0.690 0.000 1.129 393 D CA -0.268 53.455 54.000 -0.462 0.000 0.877 393 D CB 1.648 42.242 40.800 -0.343 0.000 1.082 393 D HN 0.671 nan 8.370 nan 0.000 0.537 394 L N 4.933 125.869 121.223 -0.479 0.000 2.021 394 L HA -0.197 4.142 4.340 -0.001 0.000 0.215 394 L C 2.122 178.822 176.870 -0.284 0.000 1.074 394 L CA 1.606 56.246 54.840 -0.333 0.000 0.760 394 L CB -0.598 41.537 42.059 0.127 0.000 0.889 394 L HN 0.539 nan 8.230 nan 0.000 0.433 395 L N -1.285 119.571 121.223 -0.612 0.000 2.127 395 L HA -0.211 4.128 4.340 -0.001 0.000 0.211 395 L C 2.131 178.827 176.870 -0.290 0.000 1.089 395 L CA 1.813 56.195 54.840 -0.763 0.000 0.757 395 L CB -0.528 40.749 42.059 -1.304 0.000 0.899 395 L HN 0.312 nan 8.230 nan 0.000 0.434 396 L N -1.326 119.720 121.223 -0.294 0.000 2.249 396 L HA 0.037 4.376 4.340 -0.001 0.000 0.207 396 L C 2.572 179.429 176.870 -0.022 0.000 1.090 396 L CA 0.725 55.485 54.840 -0.133 0.000 0.802 396 L CB -0.663 41.281 42.059 -0.193 0.000 0.947 396 L HN 0.347 nan 8.230 nan 0.000 0.453 397 A N 0.373 123.108 122.820 -0.142 0.000 1.855 397 A HA -0.154 4.165 4.320 -0.001 0.000 0.215 397 A C 2.514 180.296 177.584 0.329 0.000 1.191 397 A CA 1.704 53.783 52.037 0.071 0.000 0.613 397 A CB -0.688 18.317 19.000 0.009 0.000 0.829 397 A HN 0.365 nan 8.150 nan 0.000 0.442 398 A N -1.101 121.929 122.820 0.349 0.000 1.841 398 A HA -0.178 4.141 4.320 -0.001 0.000 0.216 398 A C 2.145 179.898 177.584 0.282 0.000 1.199 398 A CA 1.872 54.190 52.037 0.469 0.000 0.621 398 A CB -1.250 17.997 19.000 0.412 0.000 0.835 398 A HN 0.849 nan 8.150 nan 0.000 0.445 399 Y N 0.542 120.904 120.300 0.104 0.000 2.132 399 Y HA -0.279 4.270 4.550 -0.001 0.000 0.280 399 Y C 1.992 177.932 175.900 0.067 0.000 1.193 399 Y CA 2.191 60.331 58.100 0.066 0.000 1.157 399 Y CB -0.373 38.093 38.460 0.010 0.000 0.966 399 Y HN 0.239 nan 8.280 nan 0.000 0.511 400 L N -0.775 120.499 121.223 0.085 0.000 2.056 400 L HA -0.231 4.109 4.340 -0.001 0.000 0.207 400 L C 2.527 179.372 176.870 -0.040 0.000 1.078 400 L CA 1.165 55.989 54.840 -0.027 0.000 0.749 400 L CB -0.575 41.532 42.059 0.080 0.000 0.901 400 L HN 0.315 nan 8.230 nan 0.000 0.433 401 L N -0.935 120.315 121.223 0.044 0.000 2.012 401 L HA -0.152 4.187 4.340 -0.001 0.000 0.210 401 L C 0.601 177.501 176.870 0.049 0.000 1.073 401 L CA 1.157 56.016 54.840 0.031 0.000 0.748 401 L CB -0.113 41.945 42.059 -0.001 0.000 0.891 401 L HN 0.281 nan 8.230 nan 0.000 0.431 402 D N -1.761 118.653 120.400 0.023 0.000 2.318 402 D HA 0.114 4.753 4.640 -0.001 0.000 0.233 402 D C -2.020 174.266 176.300 -0.023 0.000 1.348 402 D CA -1.303 52.723 54.000 0.043 0.000 0.983 402 D CB 1.430 42.244 40.800 0.023 0.000 1.416 402 D HN -0.163 nan 8.370 nan 0.000 0.558 403 P HA -0.104 nan 4.420 nan 0.000 0.220 403 P C 1.218 178.518 177.300 -0.000 0.000 1.148 403 P CA 0.622 63.597 63.100 -0.209 0.000 0.803 403 P CB 0.309 31.778 31.700 -0.386 0.000 0.782 404 A N 0.198 123.035 122.820 0.027 0.000 2.070 404 A HA -0.184 4.135 4.320 -0.001 0.000 0.220 404 A C 2.267 179.889 177.584 0.063 0.000 1.159 404 A CA 1.221 53.291 52.037 0.056 0.000 0.656 404 A CB -1.057 17.982 19.000 0.065 0.000 0.800 404 A HN 0.113 nan 8.150 nan 0.000 0.453 405 Q N -1.188 118.652 119.800 0.068 0.000 2.437 405 Q HA -0.022 4.317 4.340 -0.001 0.000 0.210 405 Q C 1.431 177.493 176.000 0.104 0.000 0.972 405 Q CA 0.849 56.700 55.803 0.079 0.000 0.903 405 Q CB -0.538 28.253 28.738 0.088 0.000 0.967 405 Q HN 0.946 nan 8.270 nan 0.000 0.486 406 G N 0.996 109.870 108.800 0.124 0.000 2.258 406 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.274 406 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.274 406 G C 0.300 175.296 174.900 0.160 0.000 1.021 406 G CA 0.393 45.576 45.100 0.139 0.000 0.798 406 G HN 0.261 nan 8.290 nan 0.000 0.507 407 V N 1.604 121.632 119.914 0.190 0.000 2.611 407 V HA 0.016 4.135 4.120 -0.001 0.000 0.296 407 V C 1.489 177.744 176.094 0.269 0.000 1.006 407 V CA 1.541 63.981 62.300 0.234 0.000 1.194 407 V CB 0.383 32.384 31.823 0.296 0.000 0.871 407 V HN 0.672 nan 8.190 nan 0.000 0.470 408 D N 2.345 122.891 120.400 0.244 0.000 2.441 408 D HA 0.120 4.759 4.640 -0.001 0.000 0.210 408 D C 0.131 176.622 176.300 0.318 0.000 1.102 408 D CA 0.034 54.186 54.000 0.253 0.000 0.840 408 D CB 0.660 41.559 40.800 0.165 0.000 0.990 408 D HN 0.700 nan 8.370 nan 0.000 0.505 409 D N -1.275 119.247 120.400 0.203 0.000 2.622 409 D HA 0.072 4.712 4.640 -0.001 0.000 0.255 409 D C 1.022 176.902 176.300 -0.700 0.000 1.246 409 D CA -0.859 53.052 54.000 -0.149 0.000 0.795 409 D CB 1.480 42.268 40.800 -0.021 0.000 1.369 409 D HN -0.253 nan 8.370 nan 0.000 0.425 410 V N 0.654 119.890 119.914 -1.130 0.000 2.317 410 V HA -0.254 3.865 4.120 -0.001 0.000 0.251 410 V C 2.564 178.452 176.094 -0.343 0.000 1.065 410 V CA 2.935 64.688 62.300 -0.911 0.000 1.049 410 V CB -1.183 30.295 31.823 -0.576 0.000 0.651 410 V HN 0.800 nan 8.190 nan 0.000 0.450 411 A N -0.268 122.449 122.820 -0.172 0.000 1.972 411 A HA -0.060 4.259 4.320 -0.001 0.000 0.219 411 A C 2.415 180.012 177.584 0.023 0.000 1.169 411 A CA 1.947 53.974 52.037 -0.017 0.000 0.635 411 A CB -0.651 18.363 19.000 0.025 0.000 0.810 411 A HN 0.596 nan 8.150 nan 0.000 0.446 412 A N -0.241 122.583 122.820 0.007 0.000 1.930 412 A HA 0.210 4.529 4.320 -0.001 0.000 0.217 412 A C 2.449 180.110 177.584 0.129 0.000 1.175 412 A CA 1.924 54.007 52.037 0.076 0.000 0.627 412 A CB -0.824 18.238 19.000 0.102 0.000 0.815 412 A HN 0.974 nan 8.150 nan 0.000 0.443 413 A N -0.325 122.568 122.820 0.122 0.000 1.930 413 A HA 0.315 4.634 4.320 -0.001 0.000 0.215 413 A C 2.463 180.212 177.584 0.275 0.000 1.176 413 A CA 1.590 53.779 52.037 0.253 0.000 0.632 413 A CB -0.912 18.214 19.000 0.208 0.000 0.819 413 A HN 0.973 nan 8.150 nan 0.000 0.445 414 A N 0.306 123.202 122.820 0.126 0.000 1.908 414 A HA -0.203 4.116 4.320 -0.001 0.000 0.218 414 A C 2.090 179.827 177.584 0.255 0.000 1.181 414 A CA 1.852 53.987 52.037 0.163 0.000 0.627 414 A CB -0.466 18.620 19.000 0.145 0.000 0.818 414 A HN 0.504 nan 8.150 nan 0.000 0.445 415 K N -0.892 119.623 120.400 0.191 0.000 2.147 415 K HA -0.095 4.224 4.320 -0.001 0.000 0.205 415 K C 1.918 178.597 176.600 0.131 0.000 1.049 415 K CA 1.595 57.971 56.287 0.150 0.000 0.936 415 K CB -0.325 32.237 32.500 0.104 0.000 0.722 415 K HN 0.573 nan 8.250 nan 0.000 0.446 416 M N 0.542 120.232 119.600 0.152 0.000 2.358 416 M HA -0.122 4.357 4.480 -0.001 0.000 0.264 416 M C 0.751 177.071 176.300 0.034 0.000 1.064 416 M CA 1.351 56.701 55.300 0.084 0.000 1.093 416 M CB 0.137 32.801 32.600 0.107 0.000 1.401 416 M HN -0.172 nan 8.290 nan 0.000 0.440 417 K N 0.756 121.227 120.400 0.118 0.000 2.896 417 K HA 0.157 4.476 4.320 -0.001 0.000 0.210 417 K C -0.282 176.407 176.600 0.148 0.000 1.116 417 K CA 0.005 56.350 56.287 0.098 0.000 1.050 417 K CB 0.711 33.300 32.500 0.149 0.000 0.812 417 K HN 0.166 nan 8.250 nan 0.000 0.462 418 Q N -0.764 119.107 119.800 0.119 0.000 2.453 418 Q HA -0.269 4.070 4.340 -0.001 0.000 0.294 418 Q C -0.805 175.281 176.000 0.144 0.000 1.295 418 Q CA 1.025 56.888 55.803 0.100 0.000 0.853 418 Q CB -2.936 25.838 28.738 0.059 0.000 1.193 418 Q HN 0.531 nan 8.270 nan 0.000 0.461 419 Y N -0.801 119.538 120.300 0.065 0.000 2.338 419 Y HA 0.395 4.944 4.550 -0.002 0.000 0.333 419 Y C 0.560 176.492 175.900 0.052 0.000 0.968 419 Y CA -0.465 57.673 58.100 0.065 0.000 1.123 419 Y CB 1.269 39.783 38.460 0.090 0.000 1.165 419 Y HN 0.088 nan 8.280 nan 0.000 0.452 420 E N 3.441 123.600 120.200 -0.068 0.000 2.846 420 E HA 0.223 4.573 4.350 -0.001 0.000 0.211 420 E C 0.254 176.830 176.600 -0.041 0.000 0.975 420 E CA -0.079 56.340 56.400 0.031 0.000 1.211 420 E CB 1.026 30.729 29.700 0.006 0.000 1.052 420 E HN 0.621 nan 8.360 nan 0.000 0.487 421 A N 1.429 124.101 122.820 -0.247 0.000 2.426 421 A HA 0.279 4.598 4.320 -0.001 0.000 0.247 421 A C 0.082 177.751 177.584 0.141 0.000 1.389 421 A CA 0.182 52.150 52.037 -0.114 0.000 1.129 421 A CB -0.093 18.742 19.000 -0.274 0.000 0.928 421 A HN 0.097 nan 8.150 nan 0.000 0.557 422 V N 0.288 120.303 119.914 0.168 0.000 3.023 422 V HA 0.527 4.647 4.120 -0.001 0.000 0.294 422 V C -0.947 175.217 176.094 0.116 0.000 1.324 422 V CA -1.055 61.344 62.300 0.164 0.000 0.979 422 V CB 2.089 34.025 31.823 0.188 0.000 1.093 422 V HN 0.771 nan 8.190 nan 0.000 0.434 423 R N 6.123 126.689 120.500 0.110 0.000 2.643 423 R HA 0.726 5.065 4.340 -0.001 0.000 0.272 423 R C -2.721 173.628 176.300 0.082 0.000 0.995 423 R CA -1.878 54.257 56.100 0.059 0.000 1.032 423 R CB 1.584 31.877 30.300 -0.012 0.000 1.126 423 R HN 0.515 nan 8.270 nan 0.000 0.505 424 P HA 0.009 nan 4.420 nan 0.000 0.271 424 P C -0.456 176.864 177.300 0.034 0.000 1.216 424 P CA -0.145 62.982 63.100 0.046 0.000 0.776 424 P CB 0.728 32.447 31.700 0.031 0.000 0.881 425 D N 1.391 121.865 120.400 0.123 0.000 2.265 425 D HA -0.179 4.460 4.640 -0.001 0.000 0.208 425 D C 1.560 177.924 176.300 0.108 0.000 0.977 425 D CA 1.194 55.303 54.000 0.181 0.000 0.871 425 D CB -0.004 41.033 40.800 0.396 0.000 0.925 425 D HN 0.620 nan 8.370 nan 0.000 0.485 426 E N 0.499 120.744 120.200 0.076 0.000 2.106 426 E HA -0.085 4.264 4.350 -0.001 0.000 0.192 426 E C 1.569 178.162 176.600 -0.012 0.000 0.984 426 E CA 0.712 57.149 56.400 0.062 0.000 0.806 426 E CB 0.076 29.807 29.700 0.051 0.000 0.750 426 E HN 0.125 nan 8.360 nan 0.000 0.458 427 A N 0.230 123.007 122.820 -0.072 0.000 2.276 427 A HA 0.103 4.423 4.320 -0.001 0.000 0.212 427 A C 1.435 178.886 177.584 -0.222 0.000 1.230 427 A CA 0.278 52.249 52.037 -0.111 0.000 0.844 427 A CB 0.339 19.283 19.000 -0.092 0.000 0.860 427 A HN 0.196 nan 8.150 nan 0.000 0.486 428 V N -2.921 116.783 119.914 -0.350 0.000 3.480 428 V HA 0.078 4.197 4.120 -0.001 0.000 0.263 428 V C 1.393 177.167 176.094 -0.533 0.000 1.442 428 V CA 0.624 62.562 62.300 -0.604 0.000 1.053 428 V CB -0.592 30.487 31.823 -1.239 0.000 0.846 428 V HN 0.650 nan 8.190 nan 0.000 0.440 429 Y N 0.559 120.815 120.300 -0.073 0.000 2.589 429 Y HA 0.608 5.157 4.550 -0.001 0.000 0.271 429 Y C 1.444 177.334 175.900 -0.015 0.000 1.107 429 Y CA 0.530 58.615 58.100 -0.025 0.000 1.273 429 Y CB 1.175 39.639 38.460 0.007 0.000 1.266 429 Y HN 0.317 nan 8.280 nan 0.000 0.504 430 G N 1.109 109.985 108.800 0.128 0.000 2.483 430 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.521 430 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.521 430 G C -1.363 173.584 174.900 0.078 0.000 1.278 430 G CA -1.094 44.051 45.100 0.075 0.000 0.965 430 G HN 0.014 nan 8.290 nan 0.000 0.504 431 K N 0.316 120.747 120.400 0.051 0.000 2.207 431 K HA 0.585 4.904 4.320 -0.001 0.000 0.255 431 K C 1.331 177.951 176.600 0.033 0.000 0.941 431 K CA -0.051 56.262 56.287 0.043 0.000 0.825 431 K CB 1.592 34.112 32.500 0.032 0.000 1.119 431 K HN 1.885 nan 8.250 nan 0.000 0.430 432 G N 2.028 110.845 108.800 0.028 0.000 2.684 432 G HA2 -0.471 3.488 3.960 -0.001 0.000 0.358 432 G HA3 -0.471 3.488 3.960 -0.001 0.000 0.358 432 G C 1.020 175.927 174.900 0.012 0.000 1.164 432 G CA 1.126 46.236 45.100 0.017 0.000 0.935 432 G HN 0.693 nan 8.290 nan 0.000 0.574 433 A N -0.713 122.113 122.820 0.011 0.000 2.072 433 A HA 0.286 4.605 4.320 -0.001 0.000 0.216 433 A C 2.154 179.747 177.584 0.015 0.000 1.156 433 A CA 2.146 54.188 52.037 0.009 0.000 0.701 433 A CB -0.191 18.813 19.000 0.006 0.000 0.816 433 A HN 0.532 nan 8.150 nan 0.000 0.458 434 K N 0.105 120.517 120.400 0.020 0.000 2.439 434 K HA -0.002 4.317 4.320 -0.001 0.000 0.197 434 K C 1.034 177.658 176.600 0.040 0.000 1.041 434 K CA 0.250 56.552 56.287 0.026 0.000 0.970 434 K CB -0.227 32.288 32.500 0.024 0.000 0.773 434 K HN 0.458 nan 8.250 nan 0.000 0.479 435 R N 1.208 121.734 120.500 0.044 0.000 2.404 435 R HA 0.284 4.623 4.340 -0.001 0.000 0.315 435 R C -0.951 175.384 176.300 0.057 0.000 1.032 435 R CA 0.085 56.226 56.100 0.068 0.000 0.992 435 R CB 0.157 30.483 30.300 0.044 0.000 0.959 435 R HN 0.157 nan 8.270 nan 0.000 0.428 436 A N 3.742 126.627 122.820 0.108 0.000 2.515 436 A HA 0.456 4.775 4.320 -0.001 0.000 0.296 436 A C -1.096 176.606 177.584 0.197 0.000 1.094 436 A CA -0.786 51.308 52.037 0.096 0.000 0.718 436 A CB 1.828 20.869 19.000 0.069 0.000 1.307 436 A HN 0.467 nan 8.150 nan 0.000 0.408 437 V N 3.896 123.900 119.914 0.149 0.000 2.427 437 V HA 0.285 4.404 4.120 -0.001 0.000 0.268 437 V C -1.344 174.853 176.094 0.172 0.000 1.046 437 V CA -0.692 61.746 62.300 0.230 0.000 0.970 437 V CB 0.253 32.157 31.823 0.135 0.000 1.001 437 V HN 0.893 nan 8.190 nan 0.000 0.476 438 P HA 0.154 nan 4.420 nan 0.000 0.275 438 P C -0.378 176.951 177.300 0.047 0.000 1.270 438 P CA -0.527 62.610 63.100 0.061 0.000 0.791 438 P CB 0.674 32.367 31.700 -0.013 0.000 1.089 439 D N -0.047 120.361 120.400 0.013 0.000 2.378 439 D HA -0.053 4.586 4.640 -0.001 0.000 0.238 439 D C 1.280 177.570 176.300 -0.018 0.000 1.180 439 D CA 0.023 54.025 54.000 0.003 0.000 0.895 439 D CB 0.766 41.561 40.800 -0.010 0.000 1.192 439 D HN 0.518 nan 8.370 nan 0.000 0.438 440 E N 1.027 121.208 120.200 -0.032 0.000 2.048 440 E HA -0.195 4.154 4.350 -0.001 0.000 0.202 440 E C -0.895 175.598 176.600 -0.179 0.000 1.021 440 E CA 1.380 57.714 56.400 -0.110 0.000 0.825 440 E CB -0.568 29.075 29.700 -0.096 0.000 0.756 440 E HN 0.244 nan 8.360 nan 0.000 0.454 441 P HA -0.202 nan 4.420 nan 0.000 0.216 441 P C 1.483 178.756 177.300 -0.044 0.000 1.157 441 P CA 1.515 64.581 63.100 -0.057 0.000 0.880 441 P CB -0.002 31.681 31.700 -0.029 0.000 0.791 442 V N -0.810 119.074 119.914 -0.049 0.000 2.358 442 V HA -0.196 3.923 4.120 -0.001 0.000 0.246 442 V C 2.384 178.448 176.094 -0.050 0.000 1.047 442 V CA 1.626 63.897 62.300 -0.048 0.000 1.035 442 V CB -1.291 30.495 31.823 -0.061 0.000 0.658 442 V HN 0.058 nan 8.190 nan 0.000 0.452 443 L N 0.973 122.165 121.223 -0.052 0.000 2.109 443 L HA 0.041 4.380 4.340 -0.001 0.000 0.207 443 L C 2.421 179.252 176.870 -0.065 0.000 1.086 443 L CA 2.157 57.002 54.840 0.009 0.000 0.760 443 L CB -0.932 41.173 42.059 0.077 0.000 0.910 443 L HN 0.181 nan 8.230 nan 0.000 0.437 444 A N 0.411 123.037 122.820 -0.324 0.000 1.865 444 A HA -0.279 4.040 4.320 -0.001 0.000 0.217 444 A C 2.212 179.449 177.584 -0.579 0.000 1.191 444 A CA 1.967 53.612 52.037 -0.655 0.000 0.623 444 A CB -0.863 17.600 19.000 -0.895 0.000 0.826 444 A HN 0.743 nan 8.150 nan 0.000 0.444 445 E N -1.368 118.640 120.200 -0.319 0.000 2.208 445 E HA -0.246 4.103 4.350 -0.001 0.000 0.193 445 E C 1.820 178.382 176.600 -0.063 0.000 0.988 445 E CA 1.323 57.620 56.400 -0.170 0.000 0.828 445 E CB -0.508 29.283 29.700 0.151 0.000 0.763 445 E HN 0.748 nan 8.360 nan 0.000 0.478 446 H N 1.489 120.485 119.070 -0.123 0.000 2.321 446 H HA -0.011 4.544 4.556 -0.001 0.000 0.300 446 H C 1.901 177.191 175.328 -0.063 0.000 1.087 446 H CA 1.876 57.869 56.048 -0.093 0.000 1.319 446 H CB -0.196 29.486 29.762 -0.133 0.000 1.379 446 H HN 0.181 nan 8.280 nan 0.000 0.501 447 L N -0.654 120.452 121.223 -0.194 0.000 2.156 447 L HA -0.094 4.245 4.340 -0.001 0.000 0.208 447 L C 2.532 179.314 176.870 -0.146 0.000 1.095 447 L CA 0.799 55.525 54.840 -0.190 0.000 0.770 447 L CB -0.345 41.712 42.059 -0.003 0.000 0.914 447 L HN 0.189 nan 8.230 nan 0.000 0.439 448 V N -0.072 119.735 119.914 -0.178 0.000 2.358 448 V HA -0.225 3.894 4.120 -0.001 0.000 0.246 448 V C 2.616 178.666 176.094 -0.074 0.000 1.047 448 V CA 1.575 63.778 62.300 -0.162 0.000 1.035 448 V CB -0.533 31.091 31.823 -0.332 0.000 0.658 448 V HN 0.397 nan 8.190 nan 0.000 0.452 449 R N -0.038 120.432 120.500 -0.050 0.000 2.120 449 R HA -0.126 4.214 4.340 -0.001 0.000 0.234 449 R C 2.356 178.659 176.300 0.005 0.000 1.123 449 R CA 1.162 57.276 56.100 0.023 0.000 0.975 449 R CB -0.217 30.122 30.300 0.066 0.000 0.866 449 R HN 0.514 nan 8.270 nan 0.000 0.446 450 K N 0.046 120.398 120.400 -0.080 0.000 2.097 450 K HA -0.037 4.282 4.320 -0.001 0.000 0.205 450 K C 2.114 178.682 176.600 -0.053 0.000 1.050 450 K CA 1.166 57.390 56.287 -0.106 0.000 0.938 450 K CB -0.052 32.331 32.500 -0.195 0.000 0.718 450 K HN 0.116 nan 8.250 nan 0.000 0.442 451 A N 1.866 124.673 122.820 -0.022 0.000 1.877 451 A HA -0.095 4.224 4.320 -0.001 0.000 0.216 451 A C 2.441 180.066 177.584 0.069 0.000 1.186 451 A CA 1.795 53.854 52.037 0.037 0.000 0.620 451 A CB -0.637 18.380 19.000 0.028 0.000 0.822 451 A HN 0.308 nan 8.150 nan 0.000 0.443 452 A N -0.078 122.766 122.820 0.040 0.000 1.908 452 A HA 0.124 4.444 4.320 -0.001 0.000 0.218 452 A C 2.512 180.142 177.584 0.076 0.000 1.181 452 A CA 2.230 54.316 52.037 0.081 0.000 0.627 452 A CB -1.050 18.006 19.000 0.093 0.000 0.818 452 A HN 1.058 nan 8.150 nan 0.000 0.445 453 A N 0.110 122.887 122.820 -0.072 0.000 1.858 453 A HA -0.116 4.203 4.320 -0.001 0.000 0.216 453 A C 2.117 179.546 177.584 -0.258 0.000 1.190 453 A CA 1.583 53.342 52.037 -0.463 0.000 0.617 453 A CB -0.692 18.005 19.000 -0.505 0.000 0.827 453 A HN 0.506 nan 8.150 nan 0.000 0.443 454 I N -1.668 118.852 120.570 -0.083 0.000 2.264 454 I HA -0.296 3.873 4.170 -0.001 0.000 0.248 454 I C 2.547 178.694 176.117 0.049 0.000 1.111 454 I CA 1.505 62.812 61.300 0.010 0.000 1.382 454 I CB -0.359 37.702 38.000 0.102 0.000 1.060 454 I HN 0.718 nan 8.210 nan 0.000 0.418 455 W N 2.062 123.316 121.300 -0.077 0.000 2.381 455 W HA -0.189 4.470 4.660 -0.001 0.000 0.301 455 W C 2.187 178.656 176.519 -0.083 0.000 1.205 455 W CA 1.543 58.851 57.345 -0.063 0.000 1.285 455 W CB 0.024 29.468 29.460 -0.027 0.000 1.133 455 W HN 0.098 nan 8.180 nan 0.000 0.521 456 E N 0.438 120.707 120.200 0.116 0.000 2.112 456 E HA -0.073 4.276 4.350 -0.001 0.000 0.190 456 E C 2.237 178.808 176.600 -0.048 0.000 0.979 456 E CA 1.138 57.567 56.400 0.048 0.000 0.814 456 E CB -0.769 29.017 29.700 0.144 0.000 0.762 456 E HN 0.245 nan 8.360 nan 0.000 0.460 457 L N 0.407 121.565 121.223 -0.108 0.000 2.418 457 L HA 0.007 4.346 4.340 -0.001 0.000 0.218 457 L C 2.277 179.115 176.870 -0.053 0.000 1.125 457 L CA 0.534 55.360 54.840 -0.023 0.000 0.835 457 L CB -0.126 41.881 42.059 -0.086 0.000 0.953 457 L HN 0.177 nan 8.230 nan 0.000 0.454 458 E N 0.564 120.577 120.200 -0.311 0.000 2.118 458 E HA -0.299 4.050 4.350 -0.001 0.000 0.195 458 E C 2.222 178.486 176.600 -0.560 0.000 0.992 458 E CA 1.229 57.112 56.400 -0.862 0.000 0.804 458 E CB 0.182 29.188 29.700 -1.156 0.000 0.741 458 E HN 0.188 nan 8.360 nan 0.000 0.458 459 R N 0.336 120.655 120.500 -0.302 0.000 2.066 459 R HA -0.040 4.299 4.340 -0.001 0.000 0.232 459 R C -0.816 175.472 176.300 -0.020 0.000 1.131 459 R CA 1.736 57.734 56.100 -0.169 0.000 0.955 459 R CB -0.967 29.245 30.300 -0.146 0.000 0.851 459 R HN 0.338 nan 8.270 nan 0.000 0.432 460 P HA -0.096 nan 4.420 nan 0.000 0.223 460 P C 0.802 178.163 177.300 0.101 0.000 1.151 460 P CA 1.076 64.228 63.100 0.086 0.000 0.787 460 P CB 0.018 31.782 31.700 0.107 0.000 0.788 461 F N 0.014 119.990 119.950 0.044 0.000 2.187 461 F HA 0.031 4.557 4.527 -0.001 0.000 0.295 461 F C 2.529 178.407 175.800 0.130 0.000 1.091 461 F CA 1.021 59.105 58.000 0.139 0.000 1.308 461 F CB -1.099 38.100 39.000 0.332 0.000 1.030 461 F HN -0.259 nan 8.300 nan 0.000 0.487 462 L N -0.494 120.881 121.223 0.252 0.000 2.141 462 L HA -0.184 4.155 4.340 -0.001 0.000 0.209 462 L C 1.903 178.819 176.870 0.078 0.000 1.094 462 L CA 0.943 55.878 54.840 0.159 0.000 0.763 462 L CB -0.652 41.440 42.059 0.056 0.000 0.908 462 L HN 0.047 nan 8.230 nan 0.000 0.437 463 D N 0.036 120.463 120.400 0.045 0.000 2.097 463 D HA -0.225 4.414 4.640 -0.001 0.000 0.195 463 D C 2.042 178.351 176.300 0.015 0.000 0.989 463 D CA 1.265 55.276 54.000 0.018 0.000 0.827 463 D CB 0.001 40.804 40.800 0.005 0.000 0.966 463 D HN 0.339 nan 8.370 nan 0.000 0.456 464 E N 0.026 120.226 120.200 0.000 0.000 2.051 464 E HA -0.056 4.293 4.350 -0.001 0.000 0.189 464 E C 2.365 178.971 176.600 0.010 0.000 0.979 464 E CA 0.127 56.516 56.400 -0.018 0.000 0.803 464 E CB -0.018 29.630 29.700 -0.086 0.000 0.761 464 E HN 0.162 nan 8.360 nan 0.000 0.451 465 L N 0.657 121.905 121.223 0.041 0.000 2.021 465 L HA -0.264 4.075 4.340 -0.001 0.000 0.215 465 L C 2.921 179.817 176.870 0.045 0.000 1.074 465 L CA 1.669 56.545 54.840 0.061 0.000 0.760 465 L CB -0.511 41.620 42.059 0.120 0.000 0.889 465 L HN 0.165 nan 8.230 nan 0.000 0.433 466 R N 0.161 120.687 120.500 0.044 0.000 2.066 466 R HA -0.147 4.193 4.340 -0.001 0.000 0.232 466 R C 2.496 178.815 176.300 0.031 0.000 1.131 466 R CA 1.226 57.344 56.100 0.031 0.000 0.955 466 R CB -0.100 30.216 30.300 0.026 0.000 0.851 466 R HN 0.253 nan 8.270 nan 0.000 0.432 467 R N 0.170 120.687 120.500 0.029 0.000 2.103 467 R HA -0.126 4.213 4.340 -0.001 0.000 0.242 467 R C 1.650 177.976 176.300 0.043 0.000 1.142 467 R CA 1.828 57.947 56.100 0.032 0.000 0.960 467 R CB -0.352 29.963 30.300 0.024 0.000 0.858 467 R HN 0.315 nan 8.270 nan 0.000 0.439 468 N N 0.621 119.343 118.700 0.037 0.000 2.494 468 N HA -0.068 4.671 4.740 -0.001 0.000 0.182 468 N C -0.430 175.131 175.510 0.086 0.000 1.076 468 N CA 0.529 53.601 53.050 0.037 0.000 0.908 468 N CB 0.142 38.626 38.487 -0.004 0.000 0.967 468 N HN 0.190 nan 8.380 nan 0.000 0.449 469 E N -0.705 119.538 120.200 0.073 0.000 2.468 469 E HA -0.238 4.111 4.350 -0.001 0.000 0.264 469 E C -0.362 176.246 176.600 0.014 0.000 1.069 469 E CA 0.253 56.694 56.400 0.067 0.000 0.768 469 E CB -1.903 27.902 29.700 0.176 0.000 1.332 469 E HN 0.570 nan 8.360 nan 0.000 0.398 470 Q N -0.248 119.562 119.800 0.016 0.000 2.189 470 Q HA -0.006 4.333 4.340 -0.001 0.000 0.223 470 Q C 1.495 177.496 176.000 0.001 0.000 0.828 470 Q CA 0.332 56.138 55.803 0.005 0.000 0.967 470 Q CB 0.414 29.171 28.738 0.032 0.000 1.139 470 Q HN 0.365 nan 8.270 nan 0.000 0.497 471 D N 0.992 121.394 120.400 0.004 0.000 2.178 471 D HA -0.206 4.433 4.640 -0.001 0.000 0.201 471 D C 1.513 177.815 176.300 0.002 0.000 0.980 471 D CA 0.897 54.912 54.000 0.024 0.000 0.842 471 D CB 0.069 40.885 40.800 0.026 0.000 0.948 471 D HN 0.094 nan 8.370 nan 0.000 0.472 472 R N -0.068 120.409 120.500 -0.039 0.000 2.119 472 R HA 0.046 4.385 4.340 -0.001 0.000 0.222 472 R C 2.421 178.698 176.300 -0.039 0.000 1.088 472 R CA 0.088 56.160 56.100 -0.047 0.000 0.984 472 R CB -0.892 29.358 30.300 -0.084 0.000 0.884 472 R HN 0.258 nan 8.270 nan 0.000 0.447 473 L N 1.097 122.296 121.223 -0.041 0.000 2.191 473 L HA -0.094 4.245 4.340 -0.001 0.000 0.212 473 L C 1.961 178.831 176.870 -0.001 0.000 1.103 473 L CA 1.343 56.174 54.840 -0.016 0.000 0.769 473 L CB -0.353 41.708 42.059 0.004 0.000 0.908 473 L HN 0.089 nan 8.230 nan 0.000 0.438 474 L N -2.150 119.075 121.223 0.003 0.000 2.145 474 L HA 0.030 4.369 4.340 -0.001 0.000 0.201 474 L C 2.156 179.016 176.870 -0.018 0.000 1.075 474 L CA 1.227 56.063 54.840 -0.007 0.000 0.773 474 L CB -0.279 41.783 42.059 0.005 0.000 0.936 474 L HN -0.007 nan 8.230 nan 0.000 0.451 475 V N -0.146 119.768 119.914 0.001 0.000 2.591 475 V HA -0.128 3.991 4.120 -0.001 0.000 0.249 475 V C 2.240 178.325 176.094 -0.015 0.000 1.053 475 V CA 1.801 64.102 62.300 0.001 0.000 1.068 475 V CB -0.467 31.367 31.823 0.018 0.000 0.689 475 V HN 0.482 nan 8.190 nan 0.000 0.462 476 E N -0.812 119.377 120.200 -0.019 0.000 2.201 476 E HA 0.023 4.372 4.350 -0.001 0.000 0.193 476 E C 1.794 178.379 176.600 -0.025 0.000 0.957 476 E CA 0.482 56.868 56.400 -0.024 0.000 0.858 476 E CB 0.256 29.940 29.700 -0.026 0.000 0.816 476 E HN 0.393 nan 8.360 nan 0.000 0.475 477 L N 1.084 122.293 121.223 -0.023 0.000 2.471 477 L HA 0.065 4.404 4.340 -0.001 0.000 0.186 477 L C 1.989 178.844 176.870 -0.025 0.000 1.191 477 L CA 1.191 56.019 54.840 -0.020 0.000 0.835 477 L CB -0.176 41.877 42.059 -0.010 0.000 1.092 477 L HN -0.197 nan 8.230 nan 0.000 0.495 478 E N 0.061 120.250 120.200 -0.019 0.000 2.085 478 E HA -0.275 4.074 4.350 -0.001 0.000 0.194 478 E C 2.063 178.626 176.600 -0.063 0.000 0.994 478 E CA 1.666 58.047 56.400 -0.032 0.000 0.801 478 E CB -0.270 29.423 29.700 -0.012 0.000 0.743 478 E HN 0.633 nan 8.360 nan 0.000 0.453 479 Q N -0.423 119.336 119.800 -0.068 0.000 2.046 479 Q HA -0.089 4.250 4.340 -0.001 0.000 0.200 479 Q C -0.515 175.442 176.000 -0.071 0.000 0.975 479 Q CA 1.323 57.075 55.803 -0.085 0.000 0.836 479 Q CB -0.819 27.869 28.738 -0.083 0.000 0.896 479 Q HN 0.238 nan 8.270 nan 0.000 0.428 480 P HA -0.160 nan 4.420 nan 0.000 0.217 480 P C 1.302 178.569 177.300 -0.054 0.000 1.150 480 P CA 0.869 63.938 63.100 -0.051 0.000 0.832 480 P CB -0.022 31.654 31.700 -0.041 0.000 0.787 481 L N -0.750 120.441 121.223 -0.053 0.000 2.131 481 L HA -0.125 4.215 4.340 -0.001 0.000 0.210 481 L C 2.344 179.176 176.870 -0.065 0.000 1.092 481 L CA 1.833 56.638 54.840 -0.057 0.000 0.759 481 L CB -1.462 40.566 42.059 -0.052 0.000 0.903 481 L HN -0.104 nan 8.230 nan 0.000 0.435 482 S N -1.219 114.438 115.700 -0.072 0.000 2.353 482 S HA -0.207 4.262 4.470 -0.001 0.000 0.222 482 S C 2.102 176.664 174.600 -0.064 0.000 1.035 482 S CA 1.709 59.863 58.200 -0.077 0.000 1.025 482 S CB -0.411 62.726 63.200 -0.105 0.000 0.902 482 S HN 0.683 nan 8.310 nan 0.000 0.440 483 S N 1.343 117.003 115.700 -0.067 0.000 2.383 483 S HA -0.036 4.434 4.470 -0.001 0.000 0.229 483 S C 1.763 176.338 174.600 -0.042 0.000 1.030 483 S CA 1.484 59.648 58.200 -0.060 0.000 1.002 483 S CB -0.472 62.691 63.200 -0.062 0.000 0.829 483 S HN 0.520 nan 8.310 nan 0.000 0.467 484 I N 1.122 121.664 120.570 -0.046 0.000 2.252 484 I HA -0.156 4.013 4.170 -0.001 0.000 0.245 484 I C 1.968 178.057 176.117 -0.046 0.000 1.102 484 I CA 1.074 62.346 61.300 -0.046 0.000 1.385 484 I CB -0.358 37.606 38.000 -0.059 0.000 1.064 484 I HN 0.234 nan 8.210 nan 0.000 0.414 485 L N 0.472 121.667 121.223 -0.047 0.000 2.141 485 L HA -0.152 4.187 4.340 -0.001 0.000 0.209 485 L C 2.757 179.672 176.870 0.076 0.000 1.094 485 L CA 1.087 55.913 54.840 -0.023 0.000 0.763 485 L CB -0.618 41.439 42.059 -0.002 0.000 0.908 485 L HN 0.217 nan 8.230 nan 0.000 0.437 486 A N -0.239 122.612 122.820 0.052 0.000 1.968 486 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 486 A C 2.181 179.838 177.584 0.121 0.000 1.169 486 A CA 1.152 53.239 52.037 0.083 0.000 0.638 486 A CB -0.247 18.749 19.000 -0.007 0.000 0.812 486 A HN 0.427 nan 8.150 nan 0.000 0.446 487 E N -0.441 119.802 120.200 0.073 0.000 2.072 487 E HA -0.159 4.190 4.350 -0.001 0.000 0.191 487 E C 2.061 178.714 176.600 0.088 0.000 0.985 487 E CA 1.394 57.848 56.400 0.090 0.000 0.801 487 E CB -0.294 29.425 29.700 0.031 0.000 0.750 487 E HN 0.667 nan 8.360 nan 0.000 0.452 488 M N 0.704 120.332 119.600 0.047 0.000 2.099 488 M HA -0.161 4.319 4.480 -0.001 0.000 0.262 488 M C 2.072 178.473 176.300 0.169 0.000 1.067 488 M CA 1.506 56.820 55.300 0.023 0.000 1.124 488 M CB -0.239 32.333 32.600 -0.047 0.000 1.353 488 M HN 0.020 nan 8.290 nan 0.000 0.410 489 E N -0.169 120.221 120.200 0.317 0.000 2.153 489 E HA -0.200 4.150 4.350 -0.001 0.000 0.194 489 E C 1.783 178.748 176.600 0.608 0.000 0.988 489 E CA 1.102 57.800 56.400 0.497 0.000 0.811 489 E CB -0.190 29.849 29.700 0.564 0.000 0.746 489 E HN 0.373 nan 8.360 nan 0.000 0.466 490 F N 1.534 121.648 119.950 0.275 0.000 2.098 490 F HA -0.015 4.511 4.527 -0.001 0.000 0.294 490 F C 2.246 178.095 175.800 0.082 0.000 1.107 490 F CA 1.074 59.151 58.000 0.128 0.000 1.234 490 F CB -0.869 38.090 39.000 -0.069 0.000 1.002 490 F HN -0.064 nan 8.300 nan 0.000 0.472 491 A N 0.385 123.151 122.820 -0.090 0.000 1.881 491 A HA 0.139 4.458 4.320 -0.001 0.000 0.219 491 A C 1.765 179.229 177.584 -0.201 0.000 1.215 491 A CA 2.155 54.019 52.037 -0.289 0.000 0.648 491 A CB -1.645 17.125 19.000 -0.382 0.000 0.832 491 A HN 1.283 nan 8.150 nan 0.000 0.455 492 G N -3.354 105.376 108.800 -0.117 0.000 2.796 492 G HA2 0.081 4.040 3.960 -0.001 0.000 0.571 492 G HA3 0.081 4.040 3.960 -0.001 0.000 0.571 492 G C -0.551 174.220 174.900 -0.215 0.000 1.370 492 G CA -0.359 44.571 45.100 -0.282 0.000 0.856 492 G HN 1.298 nan 8.290 nan 0.000 0.538 493 V N 1.014 120.806 119.914 -0.204 0.000 2.483 493 V HA 0.514 4.633 4.120 -0.001 0.000 0.297 493 V C 0.597 176.687 176.094 -0.007 0.000 1.027 493 V CA -0.512 61.752 62.300 -0.060 0.000 0.855 493 V CB 1.622 33.435 31.823 -0.016 0.000 0.995 493 V HN 0.937 nan 8.190 nan 0.000 0.424 494 K N 3.957 124.361 120.400 0.005 0.000 2.368 494 K HA 0.518 4.837 4.320 -0.001 0.000 0.282 494 K C -0.653 175.990 176.600 0.072 0.000 1.035 494 K CA -0.144 56.146 56.287 0.005 0.000 0.973 494 K CB 0.982 33.470 32.500 -0.019 0.000 0.957 494 K HN 0.503 nan 8.250 nan 0.000 0.474 495 V N 2.187 122.110 119.914 0.015 0.000 3.234 495 V HA 0.245 4.364 4.120 -0.001 0.000 0.317 495 V C -0.382 175.669 176.094 -0.072 0.000 1.147 495 V CA -0.795 61.467 62.300 -0.063 0.000 1.037 495 V CB 1.784 33.517 31.823 -0.151 0.000 1.148 495 V HN 0.849 nan 8.190 nan 0.000 0.455 496 D N 0.412 120.740 120.400 -0.120 0.000 2.432 496 D HA 0.201 4.840 4.640 -0.001 0.000 0.265 496 D C 1.156 177.397 176.300 -0.098 0.000 1.160 496 D CA 0.307 54.257 54.000 -0.082 0.000 0.911 496 D CB 1.512 42.273 40.800 -0.065 0.000 1.052 496 D HN 0.781 nan 8.370 nan 0.000 0.508 497 T N 0.975 115.483 114.554 -0.077 0.000 2.652 497 T HA -0.232 4.118 4.350 -0.001 0.000 0.267 497 T C 1.709 176.373 174.700 -0.061 0.000 1.039 497 T CA 1.012 63.070 62.100 -0.069 0.000 1.153 497 T CB -0.068 68.772 68.868 -0.047 0.000 0.863 497 T HN 0.281 nan 8.240 nan 0.000 0.428 498 K N 0.806 121.177 120.400 -0.049 0.000 2.127 498 K HA -0.171 4.148 4.320 -0.001 0.000 0.208 498 K C 2.679 179.248 176.600 -0.050 0.000 1.047 498 K CA 1.742 58.004 56.287 -0.042 0.000 0.927 498 K CB -0.290 32.190 32.500 -0.033 0.000 0.716 498 K HN 0.424 nan 8.250 nan 0.000 0.450 499 R N 1.231 121.694 120.500 -0.063 0.000 2.115 499 R HA -0.049 4.290 4.340 -0.001 0.000 0.226 499 R C 2.132 178.382 176.300 -0.083 0.000 1.100 499 R CA 0.795 56.851 56.100 -0.073 0.000 0.980 499 R CB -0.059 30.190 30.300 -0.084 0.000 0.875 499 R HN 0.145 nan 8.270 nan 0.000 0.445 500 L N 0.513 121.682 121.223 -0.090 0.000 2.109 500 L HA -0.097 4.242 4.340 -0.001 0.000 0.207 500 L C 2.112 178.945 176.870 -0.061 0.000 1.086 500 L CA 1.345 56.133 54.840 -0.086 0.000 0.760 500 L CB -0.294 41.706 42.059 -0.098 0.000 0.910 500 L HN 0.275 nan 8.230 nan 0.000 0.437 501 E N -0.283 119.886 120.200 -0.053 0.000 2.106 501 E HA -0.256 4.093 4.350 -0.001 0.000 0.192 501 E C 1.987 178.563 176.600 -0.040 0.000 0.984 501 E CA 0.729 57.105 56.400 -0.041 0.000 0.806 501 E CB -0.093 29.586 29.700 -0.035 0.000 0.750 501 E HN 0.488 nan 8.360 nan 0.000 0.458 502 Q N 1.252 121.025 119.800 -0.045 0.000 1.956 502 Q HA -0.229 4.111 4.340 -0.001 0.000 0.208 502 Q C 2.248 178.220 176.000 -0.046 0.000 0.998 502 Q CA 1.877 57.654 55.803 -0.044 0.000 0.855 502 Q CB -0.155 28.553 28.738 -0.050 0.000 0.928 502 Q HN 0.272 nan 8.270 nan 0.000 0.418 503 M N 0.109 119.675 119.600 -0.057 0.000 2.260 503 M HA -0.133 4.346 4.480 -0.001 0.000 0.261 503 M C 2.099 178.370 176.300 -0.048 0.000 1.066 503 M CA 1.284 56.550 55.300 -0.057 0.000 1.082 503 M CB -0.552 32.005 32.600 -0.071 0.000 1.388 503 M HN 0.452 nan 8.290 nan 0.000 0.419 504 G N 1.164 109.938 108.800 -0.044 0.000 2.484 504 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.215 504 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.215 504 G C 1.577 176.456 174.900 -0.035 0.000 1.219 504 G CA 0.664 45.742 45.100 -0.037 0.000 0.791 504 G HN 0.402 nan 8.290 nan 0.000 0.550 505 K N 0.559 120.939 120.400 -0.032 0.000 2.209 505 K HA -0.068 4.251 4.320 -0.001 0.000 0.204 505 K C 2.410 178.993 176.600 -0.028 0.000 1.048 505 K CA 1.192 57.463 56.287 -0.027 0.000 0.940 505 K CB -0.077 32.409 32.500 -0.023 0.000 0.729 505 K HN 0.472 nan 8.250 nan 0.000 0.451 506 E N 0.811 120.992 120.200 -0.032 0.000 2.046 506 E HA -0.105 4.244 4.350 -0.001 0.000 0.190 506 E C 1.841 178.419 176.600 -0.037 0.000 0.982 506 E CA 0.786 57.167 56.400 -0.031 0.000 0.800 506 E CB -0.011 29.669 29.700 -0.033 0.000 0.756 506 E HN 0.220 nan 8.360 nan 0.000 0.449 507 L N 0.519 121.714 121.223 -0.046 0.000 2.551 507 L HA -0.039 4.300 4.340 -0.001 0.000 0.228 507 L C 2.216 179.045 176.870 -0.068 0.000 1.153 507 L CA 0.167 54.969 54.840 -0.063 0.000 0.851 507 L CB -0.273 41.747 42.059 -0.066 0.000 0.959 507 L HN 0.144 nan 8.230 nan 0.000 0.451 508 A N 1.159 123.950 122.820 -0.048 0.000 1.844 508 A HA -0.152 4.167 4.320 -0.001 0.000 0.212 508 A C 2.104 179.671 177.584 -0.029 0.000 1.221 508 A CA 0.970 52.983 52.037 -0.040 0.000 0.607 508 A CB -0.424 18.558 19.000 -0.029 0.000 0.878 508 A HN 0.519 nan 8.150 nan 0.000 0.451 509 E N -0.200 119.986 120.200 -0.022 0.000 2.463 509 E HA -0.221 4.129 4.350 -0.001 0.000 0.201 509 E C 1.765 178.358 176.600 -0.013 0.000 1.045 509 E CA 1.246 57.638 56.400 -0.013 0.000 0.872 509 E CB -0.187 29.507 29.700 -0.010 0.000 0.797 509 E HN 0.790 nan 8.360 nan 0.000 0.538 510 Q N 0.591 120.375 119.800 -0.027 0.000 2.287 510 Q HA 0.099 4.438 4.340 -0.001 0.000 0.201 510 Q C 2.151 178.122 176.000 -0.048 0.000 0.946 510 Q CA 0.026 55.809 55.803 -0.033 0.000 0.868 510 Q CB 0.140 28.850 28.738 -0.048 0.000 0.967 510 Q HN 0.353 nan 8.270 nan 0.000 0.516 511 L N 0.411 121.593 121.223 -0.070 0.000 2.447 511 L HA -0.109 4.230 4.340 -0.001 0.000 0.225 511 L C 1.928 178.854 176.870 0.093 0.000 1.148 511 L CA 1.040 55.849 54.840 -0.052 0.000 0.808 511 L CB -0.190 41.780 42.059 -0.149 0.000 0.928 511 L HN 0.389 nan 8.230 nan 0.000 0.448 512 G N -1.931 106.894 108.800 0.041 0.000 2.595 512 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.213 512 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.213 512 G C 1.502 176.413 174.900 0.018 0.000 1.141 512 G CA 0.571 45.699 45.100 0.046 0.000 0.806 512 G HN 0.222 nan 8.290 nan 0.000 0.530 513 T N 1.008 115.569 114.554 0.011 0.000 2.942 513 T HA -0.027 4.322 4.350 -0.001 0.000 0.265 513 T C 2.493 177.194 174.700 0.003 0.000 1.062 513 T CA 0.941 63.046 62.100 0.009 0.000 1.139 513 T CB 0.082 68.960 68.868 0.016 0.000 0.883 513 T HN 0.061 nan 8.240 nan 0.000 0.468 514 V N 1.311 121.228 119.914 0.005 0.000 2.591 514 V HA -0.010 4.109 4.120 -0.001 0.000 0.249 514 V C 2.300 178.333 176.094 -0.103 0.000 1.053 514 V CA 1.174 63.481 62.300 0.012 0.000 1.068 514 V CB -0.432 31.384 31.823 -0.013 0.000 0.689 514 V HN 0.488 nan 8.190 nan 0.000 0.462 515 E N -0.344 119.752 120.200 -0.173 0.000 2.478 515 E HA -0.161 4.188 4.350 -0.001 0.000 0.198 515 E C 2.077 178.372 176.600 -0.509 0.000 1.046 515 E CA 0.357 56.408 56.400 -0.581 0.000 0.870 515 E CB 0.206 29.599 29.700 -0.512 0.000 0.818 515 E HN 0.536 nan 8.360 nan 0.000 0.527 516 Q N -0.268 119.412 119.800 -0.201 0.000 2.165 516 Q HA -0.046 4.294 4.340 -0.001 0.000 0.197 516 Q C 1.953 177.911 176.000 -0.071 0.000 0.952 516 Q CA 0.785 56.541 55.803 -0.078 0.000 0.848 516 Q CB -0.174 28.555 28.738 -0.014 0.000 0.931 516 Q HN 0.028 nan 8.270 nan 0.000 0.470 517 R N 0.827 121.283 120.500 -0.074 0.000 2.307 517 R HA 0.113 4.452 4.340 -0.001 0.000 0.199 517 R C 1.638 177.894 176.300 -0.074 0.000 1.000 517 R CA 0.503 56.582 56.100 -0.036 0.000 1.023 517 R CB -0.249 30.052 30.300 0.002 0.000 0.908 517 R HN 0.224 nan 8.270 nan 0.000 0.473 518 I N -1.236 119.208 120.570 -0.209 0.000 2.556 518 I HA -0.102 4.068 4.170 -0.001 0.000 0.251 518 I C 1.055 177.071 176.117 -0.168 0.000 1.105 518 I CA 0.471 61.603 61.300 -0.280 0.000 1.436 518 I CB -0.151 37.490 38.000 -0.599 0.000 1.139 518 I HN 0.071 nan 8.210 nan 0.000 0.438 519 Y N 1.715 121.925 120.300 -0.150 0.000 2.373 519 Y HA -0.154 4.396 4.550 -0.001 0.000 0.293 519 Y C 2.530 178.429 175.900 -0.002 0.000 1.129 519 Y CA 0.800 58.839 58.100 -0.102 0.000 1.226 519 Y CB -0.772 37.593 38.460 -0.157 0.000 1.000 519 Y HN 0.360 nan 8.280 nan 0.000 0.549 520 E N -0.009 120.272 120.200 0.135 0.000 2.046 520 E HA -0.127 4.222 4.350 -0.001 0.000 0.190 520 E C 1.672 178.328 176.600 0.093 0.000 0.982 520 E CA 1.176 57.634 56.400 0.097 0.000 0.800 520 E CB -0.861 28.877 29.700 0.063 0.000 0.756 520 E HN 0.376 nan 8.360 nan 0.000 0.449 521 L N 0.353 121.624 121.223 0.080 0.000 2.633 521 L HA 0.013 4.352 4.340 -0.001 0.000 0.235 521 L C 2.066 178.977 176.870 0.068 0.000 1.163 521 L CA 0.661 55.552 54.840 0.085 0.000 0.859 521 L CB -0.115 41.985 42.059 0.068 0.000 0.973 521 L HN 0.340 nan 8.230 nan 0.000 0.451 522 A N -1.694 121.199 122.820 0.121 0.000 2.138 522 A HA 0.491 4.810 4.320 -0.001 0.000 0.203 522 A C 1.748 179.410 177.584 0.129 0.000 1.286 522 A CA 0.733 52.854 52.037 0.140 0.000 0.929 522 A CB 0.492 19.727 19.000 0.391 0.000 0.975 522 A HN 0.365 nan 8.150 nan 0.000 0.480 523 G N -0.717 108.172 108.800 0.148 0.000 2.399 523 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.216 523 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.216 523 G C 0.414 175.376 174.900 0.104 0.000 1.096 523 G CA 0.328 45.488 45.100 0.099 0.000 0.650 523 G HN 0.640 nan 8.290 nan 0.000 0.512 524 Q N -0.048 119.859 119.800 0.177 0.000 2.166 524 Q HA 0.660 4.999 4.340 -0.001 0.000 0.226 524 Q C 0.334 176.349 176.000 0.024 0.000 0.989 524 Q CA -0.305 55.583 55.803 0.143 0.000 0.966 524 Q CB 1.218 30.078 28.738 0.203 0.000 1.173 524 Q HN 0.339 nan 8.270 nan 0.000 0.509 525 E N 0.650 120.670 120.200 -0.299 0.000 2.569 525 E HA 0.089 4.439 4.350 -0.001 0.000 0.205 525 E C -0.562 175.462 176.600 -0.960 0.000 1.006 525 E CA -0.307 55.382 56.400 -1.185 0.000 0.985 525 E CB 0.181 29.400 29.700 -0.801 0.000 1.060 525 E HN 0.427 nan 8.360 nan 0.000 0.460 526 F N 0.417 120.166 119.950 -0.335 0.000 2.703 526 F HA -0.065 4.462 4.527 -0.001 0.000 0.324 526 F C 0.381 176.193 175.800 0.020 0.000 1.174 526 F CA -0.665 57.272 58.000 -0.104 0.000 1.367 526 F CB -0.111 38.876 39.000 -0.020 0.000 1.065 526 F HN -0.140 nan 8.300 nan 0.000 0.633 527 N N 2.435 121.224 118.700 0.149 0.000 2.402 527 N HA 0.116 4.856 4.740 -0.001 0.000 0.252 527 N C 0.753 176.343 175.510 0.133 0.000 1.118 527 N CA -0.361 52.743 53.050 0.090 0.000 0.945 527 N CB 0.276 38.825 38.487 0.104 0.000 1.147 527 N HN 0.692 nan 8.380 nan 0.000 0.495 528 I N 0.480 121.035 120.570 -0.025 0.000 3.428 528 I HA 0.086 4.255 4.170 -0.001 0.000 0.286 528 I C 0.092 176.272 176.117 0.104 0.000 1.287 528 I CA 0.734 62.033 61.300 -0.002 0.000 1.396 528 I CB -0.704 37.127 38.000 -0.282 0.000 1.062 528 I HN 0.385 nan 8.210 nan 0.000 0.471 529 N N 2.535 121.308 118.700 0.121 0.000 2.421 529 N HA 0.004 4.743 4.740 -0.001 0.000 0.201 529 N C 0.040 175.620 175.510 0.117 0.000 1.198 529 N CA 0.412 53.546 53.050 0.140 0.000 0.838 529 N CB 0.182 38.749 38.487 0.133 0.000 1.011 529 N HN 0.546 nan 8.380 nan 0.000 0.463 530 S N -0.573 115.204 115.700 0.129 0.000 2.756 530 S HA 0.453 4.922 4.470 -0.001 0.000 0.303 530 S C -2.784 171.896 174.600 0.134 0.000 1.135 530 S CA -1.332 56.940 58.200 0.121 0.000 1.066 530 S CB 2.607 65.878 63.200 0.118 0.000 1.008 530 S HN -0.229 nan 8.310 nan 0.000 0.482 531 P HA 0.164 nan 4.420 nan 0.000 0.286 531 P C 0.306 177.692 177.300 0.143 0.000 1.577 531 P CA 0.390 63.569 63.100 0.132 0.000 0.805 531 P CB -0.074 31.696 31.700 0.117 0.000 1.706 532 K N -1.065 119.418 120.400 0.138 0.000 2.703 532 K HA 0.076 4.395 4.320 -0.001 0.000 0.196 532 K C 1.486 178.158 176.600 0.119 0.000 1.457 532 K CA 0.099 56.469 56.287 0.138 0.000 1.115 532 K CB 0.273 32.840 32.500 0.112 0.000 1.661 532 K HN -0.087 nan 8.250 nan 0.000 0.552 533 Q N 1.144 121.014 119.800 0.117 0.000 2.016 533 Q HA -0.131 4.208 4.340 -0.001 0.000 0.200 533 Q C 1.979 177.971 176.000 -0.014 0.000 0.978 533 Q CA 1.885 57.741 55.803 0.088 0.000 0.833 533 Q CB -0.219 28.631 28.738 0.188 0.000 0.895 533 Q HN 0.297 nan 8.270 nan 0.000 0.427 534 L N -1.455 119.832 121.223 0.106 0.000 2.549 534 L HA 0.075 4.414 4.340 -0.001 0.000 0.230 534 L C 1.773 178.547 176.870 -0.160 0.000 1.162 534 L CA 1.923 56.756 54.840 -0.011 0.000 0.834 534 L CB -1.078 41.171 42.059 0.317 0.000 0.947 534 L HN 0.044 nan 8.230 nan 0.000 0.452 535 G N -0.290 108.474 108.800 -0.061 0.000 2.464 535 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.217 535 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.217 535 G C 1.321 176.089 174.900 -0.219 0.000 1.138 535 G CA 0.791 45.856 45.100 -0.058 0.000 0.793 535 G HN 0.343 nan 8.290 nan 0.000 0.539 536 V N 0.485 120.290 119.914 -0.182 0.000 3.129 536 V HA 0.075 4.194 4.120 -0.001 0.000 0.259 536 V C 2.270 178.198 176.094 -0.277 0.000 1.116 536 V CA 0.716 62.907 62.300 -0.181 0.000 1.127 536 V CB 0.074 31.830 31.823 -0.112 0.000 0.742 536 V HN 0.243 nan 8.190 nan 0.000 0.474 537 I N -0.956 119.364 120.570 -0.416 0.000 3.427 537 I HA 0.054 4.223 4.170 -0.001 0.000 0.288 537 I C 1.696 177.578 176.117 -0.392 0.000 1.249 537 I CA 1.126 62.128 61.300 -0.496 0.000 1.421 537 I CB 0.138 37.553 38.000 -0.975 0.000 1.086 537 I HN 0.191 nan 8.210 nan 0.000 0.448 538 L N -1.168 119.792 121.223 -0.439 0.000 2.379 538 L HA 0.170 4.510 4.340 -0.001 0.000 0.190 538 L C 0.582 177.090 176.870 -0.604 0.000 1.111 538 L CA 0.461 54.955 54.840 -0.578 0.000 0.820 538 L CB 0.055 41.620 42.059 -0.823 0.000 1.046 538 L HN -0.042 nan 8.230 nan 0.000 0.485 539 F N 0.743 120.450 119.950 -0.404 0.000 2.913 539 F HA 0.254 4.780 4.527 -0.001 0.000 0.306 539 F C 1.038 176.613 175.800 -0.374 0.000 1.205 539 F CA 0.185 57.895 58.000 -0.483 0.000 1.359 539 F CB -0.084 38.288 39.000 -1.048 0.000 1.260 539 F HN 0.241 nan 8.300 nan 0.000 0.545 540 E N -0.384 119.739 120.200 -0.128 0.000 2.201 540 E HA -0.086 4.263 4.350 -0.001 0.000 0.271 540 E C 1.787 178.341 176.600 -0.077 0.000 1.080 540 E CA 0.112 56.470 56.400 -0.071 0.000 1.952 540 E CB -0.066 29.590 29.700 -0.073 0.000 3.129 540 E HN 0.168 nan 8.360 nan 0.000 1.052 541 K N 1.286 121.611 120.400 -0.124 0.000 2.031 541 K HA 0.065 4.384 4.320 -0.001 0.000 0.205 541 K C 1.960 178.514 176.600 -0.078 0.000 1.049 541 K CA 1.157 57.382 56.287 -0.103 0.000 0.939 541 K CB -0.001 32.412 32.500 -0.145 0.000 0.717 541 K HN 0.166 nan 8.250 nan 0.000 0.438 542 L N 1.147 122.303 121.223 -0.111 0.000 2.551 542 L HA -0.042 4.298 4.340 -0.001 0.000 0.228 542 L C 0.252 177.111 176.870 -0.018 0.000 1.153 542 L CA 0.340 55.147 54.840 -0.056 0.000 0.851 542 L CB -0.137 41.851 42.059 -0.119 0.000 0.959 542 L HN 0.377 nan 8.230 nan 0.000 0.451 543 Q N -0.992 118.786 119.800 -0.037 0.000 2.480 543 Q HA -0.228 4.111 4.340 -0.001 0.000 0.265 543 Q C -0.146 175.855 176.000 0.003 0.000 1.072 543 Q CA 0.733 56.534 55.803 -0.002 0.000 1.018 543 Q CB -2.084 26.666 28.738 0.019 0.000 1.433 543 Q HN 0.283 nan 8.270 nan 0.000 0.513 544 L N 1.272 122.466 121.223 -0.048 0.000 2.395 544 L HA 0.327 4.667 4.340 -0.001 0.000 0.269 544 L C -1.731 175.123 176.870 -0.027 0.000 1.133 544 L CA -1.359 53.432 54.840 -0.081 0.000 0.812 544 L CB 0.189 42.133 42.059 -0.191 0.000 1.125 544 L HN -0.156 nan 8.230 nan 0.000 0.452 545 P HA -0.010 nan 4.420 nan 0.000 0.262 545 P C -1.146 176.265 177.300 0.185 0.000 1.182 545 P CA 0.073 63.135 63.100 -0.064 0.000 0.761 545 P CB 0.305 31.773 31.700 -0.386 0.000 0.795 546 V N 5.722 125.727 119.914 0.153 0.000 2.304 546 V HA 0.127 4.246 4.120 -0.001 0.000 0.269 546 V C 1.258 177.331 176.094 -0.035 0.000 1.036 546 V CA 0.027 62.322 62.300 -0.009 0.000 0.840 546 V CB 0.542 32.324 31.823 -0.069 0.000 1.036 546 V HN 0.526 nan 8.190 nan 0.000 0.466 547 L N 3.455 124.673 121.223 -0.009 0.000 2.607 547 L HA 0.403 4.742 4.340 -0.001 0.000 0.228 547 L C 0.699 177.554 176.870 -0.025 0.000 1.123 547 L CA 0.436 55.279 54.840 0.005 0.000 0.890 547 L CB 0.005 42.095 42.059 0.052 0.000 1.103 547 L HN 0.613 nan 8.230 nan 0.000 0.468 548 K N 0.328 120.677 120.400 -0.084 0.000 2.675 548 K HA 0.361 4.680 4.320 -0.001 0.000 0.280 548 K C -1.664 174.849 176.600 -0.145 0.000 0.993 548 K CA -0.640 55.596 56.287 -0.085 0.000 0.863 548 K CB 1.828 34.312 32.500 -0.026 0.000 1.438 548 K HN -0.175 nan 8.250 nan 0.000 0.389 549 K N 0.621 120.938 120.400 -0.139 0.000 2.466 549 K HA 0.500 4.819 4.320 -0.001 0.000 0.260 549 K C -0.554 175.982 176.600 -0.106 0.000 1.011 549 K CA -0.905 55.277 56.287 -0.176 0.000 0.871 549 K CB 2.018 34.349 32.500 -0.282 0.000 1.404 549 K HN 0.810 nan 8.250 nan 0.000 0.450 550 T N -2.296 112.200 114.554 -0.098 0.000 2.708 550 T HA 0.323 4.672 4.350 -0.001 0.000 0.256 550 T C 0.800 175.463 174.700 -0.063 0.000 0.946 550 T CA -0.722 61.348 62.100 -0.050 0.000 1.039 550 T CB 0.648 69.510 68.868 -0.010 0.000 1.557 550 T HN 0.445 nan 8.240 nan 0.000 0.576 551 K N -0.137 120.242 120.400 -0.035 0.000 2.243 551 K HA 0.130 4.449 4.320 -0.001 0.000 0.201 551 K C 1.798 178.375 176.600 -0.039 0.000 1.051 551 K CA 0.822 57.088 56.287 -0.035 0.000 0.970 551 K CB -0.019 32.471 32.500 -0.015 0.000 0.755 551 K HN 0.496 nan 8.250 nan 0.000 0.465 552 T N -0.528 114.009 114.554 -0.029 0.000 2.999 552 T HA 0.167 4.516 4.350 -0.001 0.000 0.247 552 T C 0.594 175.276 174.700 -0.030 0.000 1.012 552 T CA 0.377 62.465 62.100 -0.020 0.000 1.048 552 T CB 0.920 69.793 68.868 0.007 0.000 1.020 552 T HN 0.359 nan 8.240 nan 0.000 0.478 553 G N -0.728 108.049 108.800 -0.037 0.000 2.731 553 G HA2 0.569 4.529 3.960 -0.001 0.000 0.309 553 G HA3 0.569 4.529 3.960 -0.001 0.000 0.309 553 G C -1.576 173.261 174.900 -0.105 0.000 1.273 553 G CA -0.854 44.223 45.100 -0.038 0.000 0.798 553 G HN 0.087 nan 8.290 nan 0.000 0.509 554 Y N 0.040 120.297 120.300 -0.073 0.000 2.220 554 Y HA 0.498 5.047 4.550 -0.001 0.000 0.347 554 Y C 1.458 177.294 175.900 -0.108 0.000 1.311 554 Y CA 0.250 58.221 58.100 -0.215 0.000 1.593 554 Y CB 0.829 39.017 38.460 -0.453 0.000 1.419 554 Y HN 0.297 nan 8.280 nan 0.000 0.614 555 S N 0.045 115.756 115.700 0.018 0.000 3.158 555 S HA 0.045 4.514 4.470 -0.001 0.000 0.215 555 S C 0.449 175.181 174.600 0.220 0.000 1.359 555 S CA -0.491 57.761 58.200 0.085 0.000 0.974 555 S CB -0.689 62.528 63.200 0.029 0.000 1.336 555 S HN 0.699 nan 8.310 nan 0.000 0.488 556 T N 3.467 118.184 114.554 0.272 0.000 3.500 556 T HA 0.203 4.552 4.350 -0.001 0.000 0.244 556 T C 0.220 175.027 174.700 0.178 0.000 0.962 556 T CA -0.124 62.144 62.100 0.280 0.000 0.932 556 T CB -0.752 68.260 68.868 0.241 0.000 1.096 556 T HN 0.511 nan 8.240 nan 0.000 0.617 557 S N 0.717 116.512 115.700 0.159 0.000 2.584 557 S HA 0.548 5.017 4.470 -0.001 0.000 0.273 557 S C 1.691 176.361 174.600 0.116 0.000 1.311 557 S CA -0.309 57.964 58.200 0.121 0.000 1.034 557 S CB 1.362 64.624 63.200 0.104 0.000 0.939 557 S HN 0.583 nan 8.310 nan 0.000 0.513 558 A N 2.141 125.020 122.820 0.100 0.000 1.933 558 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 558 A C 1.743 179.382 177.584 0.091 0.000 1.175 558 A CA 2.057 54.149 52.037 0.091 0.000 0.628 558 A CB -0.976 18.073 19.000 0.082 0.000 0.814 558 A HN 0.968 nan 8.150 nan 0.000 0.444 559 D N -0.713 119.741 120.400 0.090 0.000 2.221 559 D HA -0.111 4.529 4.640 -0.001 0.000 0.204 559 D C 1.311 177.668 176.300 0.096 0.000 0.982 559 D CA 1.646 55.698 54.000 0.087 0.000 0.857 559 D CB -0.177 40.673 40.800 0.082 0.000 0.934 559 D HN 0.209 nan 8.370 nan 0.000 0.475 560 V N -0.302 119.676 119.914 0.108 0.000 2.825 560 V HA 0.044 4.163 4.120 -0.001 0.000 0.246 560 V C 1.896 178.069 176.094 0.132 0.000 1.068 560 V CA 0.444 62.820 62.300 0.127 0.000 1.088 560 V CB -0.104 31.811 31.823 0.153 0.000 0.733 560 V HN 0.174 nan 8.190 nan 0.000 0.468 561 L N 0.030 121.324 121.223 0.118 0.000 2.610 561 L HA 0.069 4.408 4.340 -0.001 0.000 0.232 561 L C 2.015 178.938 176.870 0.089 0.000 1.149 561 L CA 1.412 56.307 54.840 0.093 0.000 0.872 561 L CB -0.663 41.442 42.059 0.077 0.000 0.992 561 L HN 0.378 nan 8.230 nan 0.000 0.447 562 E N -1.089 119.169 120.200 0.096 0.000 2.340 562 E HA 0.003 4.352 4.350 -0.001 0.000 0.198 562 E C 1.509 178.176 176.600 0.111 0.000 0.961 562 E CA 0.126 56.580 56.400 0.091 0.000 0.905 562 E CB 0.304 30.050 29.700 0.078 0.000 0.884 562 E HN 0.417 nan 8.360 nan 0.000 0.491 563 K N 0.638 121.115 120.400 0.128 0.000 2.356 563 K HA 0.115 4.434 4.320 -0.001 0.000 0.195 563 K C 1.803 178.547 176.600 0.241 0.000 1.037 563 K CA 0.066 56.450 56.287 0.162 0.000 1.014 563 K CB 0.497 33.083 32.500 0.142 0.000 0.815 563 K HN 0.026 nan 8.250 nan 0.000 0.507 564 L N 0.751 122.084 121.223 0.184 0.000 2.307 564 L HA 0.164 4.503 4.340 -0.001 0.000 0.211 564 L C 1.995 179.018 176.870 0.254 0.000 1.099 564 L CA 1.127 56.054 54.840 0.144 0.000 0.816 564 L CB -0.687 41.403 42.059 0.051 0.000 0.952 564 L HN 0.053 nan 8.230 nan 0.000 0.455 565 A N 1.367 124.304 122.820 0.194 0.000 1.978 565 A HA -0.101 4.218 4.320 -0.001 0.000 0.220 565 A C -0.519 177.183 177.584 0.196 0.000 1.170 565 A CA 1.324 53.461 52.037 0.168 0.000 0.636 565 A CB -1.762 17.302 19.000 0.106 0.000 0.810 565 A HN 0.400 nan 8.150 nan 0.000 0.448 566 P HA -0.056 nan 4.420 nan 0.000 0.242 566 P C -0.039 177.221 177.300 -0.066 0.000 1.198 566 P CA 0.911 64.033 63.100 0.037 0.000 0.756 566 P CB -0.148 31.523 31.700 -0.048 0.000 0.911 567 Y N -3.705 116.623 120.300 0.046 0.000 2.581 567 Y HA 0.229 4.778 4.550 -0.001 0.000 0.271 567 Y C 1.522 177.450 175.900 0.047 0.000 1.100 567 Y CA 0.284 58.410 58.100 0.043 0.000 1.281 567 Y CB 0.121 38.616 38.460 0.059 0.000 1.237 567 Y HN 0.005 nan 8.280 nan 0.000 0.514 568 H N -0.549 118.614 119.070 0.155 0.000 2.949 568 H HA 0.310 4.865 4.556 -0.001 0.000 0.310 568 H C 0.029 175.383 175.328 0.043 0.000 1.405 568 H CA -0.281 55.809 56.048 0.070 0.000 1.253 568 H CB 2.273 32.057 29.762 0.036 0.000 1.932 568 H HN 0.113 nan 8.280 nan 0.000 0.602 569 E N 0.645 121.132 120.200 0.479 0.000 2.399 569 E HA 0.085 4.434 4.350 -0.001 0.000 0.205 569 E C 1.788 178.506 176.600 0.196 0.000 0.906 569 E CA 0.017 56.563 56.400 0.243 0.000 0.998 569 E CB 0.567 30.351 29.700 0.140 0.000 1.002 569 E HN 0.530 nan 8.360 nan 0.000 0.501 570 I N 1.040 121.735 120.570 0.207 0.000 2.657 570 I HA -0.209 3.960 4.170 -0.001 0.000 0.261 570 I C 1.533 177.630 176.117 -0.034 0.000 1.212 570 I CA 0.591 61.872 61.300 -0.031 0.000 1.453 570 I CB 0.198 38.033 38.000 -0.275 0.000 1.092 570 I HN 0.031 nan 8.210 nan 0.000 0.452 571 V N 0.924 120.837 119.914 -0.002 0.000 2.392 571 V HA -0.286 3.833 4.120 -0.001 0.000 0.249 571 V C 2.186 178.301 176.094 0.035 0.000 1.059 571 V CA 2.067 64.373 62.300 0.009 0.000 1.051 571 V CB -0.809 31.042 31.823 0.047 0.000 0.658 571 V HN 0.487 nan 8.190 nan 0.000 0.455 572 E N 0.353 120.579 120.200 0.043 0.000 2.274 572 E HA -0.158 4.191 4.350 -0.001 0.000 0.194 572 E C 1.817 178.453 176.600 0.060 0.000 0.996 572 E CA 1.238 57.657 56.400 0.033 0.000 0.840 572 E CB -0.212 29.491 29.700 0.006 0.000 0.772 572 E HN 0.738 nan 8.360 nan 0.000 0.491 573 N N -0.059 118.676 118.700 0.058 0.000 2.424 573 N HA -0.020 4.720 4.740 -0.001 0.000 0.178 573 N C 1.325 176.880 175.510 0.076 0.000 1.060 573 N CA 0.236 53.336 53.050 0.084 0.000 0.901 573 N CB 0.347 38.843 38.487 0.014 0.000 0.979 573 N HN 0.043 nan 8.380 nan 0.000 0.451 574 I N 0.612 121.214 120.570 0.053 0.000 2.339 574 I HA -0.064 4.105 4.170 -0.001 0.000 0.245 574 I C 1.878 178.066 176.117 0.120 0.000 1.096 574 I CA 0.978 62.313 61.300 0.058 0.000 1.408 574 I CB -0.971 37.046 38.000 0.028 0.000 1.092 574 I HN 0.163 nan 8.210 nan 0.000 0.423 575 L N -0.249 121.040 121.223 0.110 0.000 2.141 575 L HA -0.204 4.135 4.340 -0.001 0.000 0.209 575 L C 2.644 179.611 176.870 0.162 0.000 1.094 575 L CA 1.135 56.044 54.840 0.115 0.000 0.763 575 L CB -0.819 41.294 42.059 0.089 0.000 0.908 575 L HN 0.371 nan 8.230 nan 0.000 0.437 576 H N -1.196 117.907 119.070 0.054 0.000 2.389 576 H HA -0.231 4.325 4.556 -0.001 0.000 0.299 576 H C 2.243 177.610 175.328 0.065 0.000 1.081 576 H CA 1.439 57.515 56.048 0.046 0.000 1.345 576 H CB 0.253 30.040 29.762 0.041 0.000 1.393 576 H HN 0.247 nan 8.280 nan 0.000 0.520 577 Y N 1.492 121.775 120.300 -0.029 0.000 2.220 577 Y HA -0.107 4.443 4.550 -0.001 0.000 0.291 577 Y C 2.524 178.383 175.900 -0.067 0.000 1.129 577 Y CA 1.288 59.318 58.100 -0.117 0.000 1.161 577 Y CB -0.045 38.342 38.460 -0.122 0.000 0.997 577 Y HN 0.046 nan 8.280 nan 0.000 0.522 578 R N -0.345 120.184 120.500 0.049 0.000 2.148 578 R HA -0.156 4.183 4.340 -0.001 0.000 0.223 578 R C 2.343 178.628 176.300 -0.026 0.000 1.088 578 R CA 1.271 57.373 56.100 0.004 0.000 0.985 578 R CB -0.250 30.094 30.300 0.073 0.000 0.880 578 R HN 0.457 nan 8.270 nan 0.000 0.451 579 Q N 1.057 120.855 119.800 -0.003 0.000 2.020 579 Q HA -0.118 4.221 4.340 -0.001 0.000 0.198 579 Q C 2.065 178.036 176.000 -0.048 0.000 0.974 579 Q CA 1.261 57.069 55.803 0.008 0.000 0.829 579 Q CB 0.073 28.851 28.738 0.068 0.000 0.894 579 Q HN 0.323 nan 8.270 nan 0.000 0.433 580 L N -0.105 121.042 121.223 -0.125 0.000 2.056 580 L HA -0.056 4.283 4.340 -0.001 0.000 0.207 580 L C 2.509 179.256 176.870 -0.206 0.000 1.078 580 L CA 1.103 55.835 54.840 -0.180 0.000 0.749 580 L CB -0.729 41.153 42.059 -0.295 0.000 0.901 580 L HN 0.364 nan 8.230 nan 0.000 0.433 581 G N -0.376 108.231 108.800 -0.321 0.000 2.448 581 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.219 581 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.219 581 G C 1.706 176.521 174.900 -0.143 0.000 1.127 581 G CA 0.576 45.480 45.100 -0.326 0.000 0.766 581 G HN 0.267 nan 8.290 nan 0.000 0.552 582 K N -0.700 119.660 120.400 -0.067 0.000 2.243 582 K HA 0.137 4.456 4.320 -0.001 0.000 0.201 582 K C 2.197 178.869 176.600 0.119 0.000 1.051 582 K CA 0.093 56.399 56.287 0.032 0.000 0.970 582 K CB -0.046 32.501 32.500 0.078 0.000 0.755 582 K HN 0.182 nan 8.250 nan 0.000 0.465 583 L N 1.045 122.309 121.223 0.068 0.000 2.072 583 L HA -0.092 4.247 4.340 -0.001 0.000 0.205 583 L C 2.284 179.205 176.870 0.084 0.000 1.079 583 L CA 1.480 56.380 54.840 0.101 0.000 0.752 583 L CB -0.698 41.364 42.059 0.005 0.000 0.906 583 L HN 0.181 nan 8.230 nan 0.000 0.436 584 Q N -0.182 119.620 119.800 0.004 0.000 1.615 584 Q HA -0.136 4.204 4.340 -0.001 0.000 0.457 584 Q C 2.377 178.374 176.000 -0.005 0.000 0.949 584 Q CA 2.048 57.842 55.803 -0.014 0.000 0.901 584 Q CB -0.640 28.063 28.738 -0.059 0.000 0.929 584 Q HN 0.445 nan 8.270 nan 0.000 0.395 585 S N -0.914 114.766 115.700 -0.033 0.000 2.451 585 S HA -0.351 4.118 4.470 -0.001 0.000 0.272 585 S C 1.965 176.539 174.600 -0.043 0.000 1.136 585 S CA 2.457 60.635 58.200 -0.036 0.000 1.209 585 S CB -1.740 61.433 63.200 -0.045 0.000 1.130 585 S HN 0.567 nan 8.310 nan 0.000 0.440 586 T N 1.234 115.756 114.554 -0.053 0.000 2.612 586 T HA 0.063 4.413 4.350 -0.001 0.000 0.251 586 T C 1.698 176.288 174.700 -0.183 0.000 1.090 586 T CA 1.671 63.676 62.100 -0.160 0.000 1.198 586 T CB -0.710 68.002 68.868 -0.260 0.000 0.878 586 T HN 0.565 nan 8.240 nan 0.000 0.401 587 Y N 0.584 120.891 120.300 0.012 0.000 2.184 587 Y HA 0.051 4.600 4.550 -0.001 0.000 0.290 587 Y C 2.464 178.371 175.900 0.011 0.000 1.129 587 Y CA 0.419 58.538 58.100 0.032 0.000 1.144 587 Y CB -0.350 38.137 38.460 0.045 0.000 0.995 587 Y HN 0.123 nan 8.280 nan 0.000 0.513 588 I N 0.501 121.155 120.570 0.140 0.000 2.094 588 I HA -0.220 3.949 4.170 -0.001 0.000 0.234 588 I C 2.182 178.309 176.117 0.017 0.000 1.063 588 I CA 1.560 62.890 61.300 0.050 0.000 1.328 588 I CB -1.251 36.758 38.000 0.016 0.000 1.058 588 I HN 0.330 nan 8.210 nan 0.000 0.400 589 E N 0.739 120.941 120.200 0.003 0.000 2.130 589 E HA -0.193 4.156 4.350 -0.001 0.000 0.196 589 E C 2.158 178.750 176.600 -0.013 0.000 0.998 589 E CA 1.404 57.797 56.400 -0.011 0.000 0.806 589 E CB -0.362 29.327 29.700 -0.018 0.000 0.738 589 E HN 0.613 nan 8.360 nan 0.000 0.459 590 G N 1.611 110.402 108.800 -0.016 0.000 2.414 590 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.215 590 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.215 590 G C 1.658 176.558 174.900 -0.000 0.000 1.188 590 G CA 0.264 45.350 45.100 -0.024 0.000 0.783 590 G HN 0.084 nan 8.290 nan 0.000 0.537 591 L N -0.018 121.221 121.223 0.027 0.000 2.079 591 L HA -0.013 4.326 4.340 -0.001 0.000 0.210 591 L C 2.870 179.745 176.870 0.009 0.000 1.081 591 L CA 0.507 55.374 54.840 0.045 0.000 0.752 591 L CB -0.293 41.806 42.059 0.068 0.000 0.896 591 L HN 0.189 nan 8.230 nan 0.000 0.433 592 L N -0.613 120.606 121.223 -0.006 0.000 2.201 592 L HA -0.191 4.149 4.340 -0.001 0.000 0.212 592 L C 2.528 179.393 176.870 -0.009 0.000 1.105 592 L CA 1.146 55.977 54.840 -0.016 0.000 0.775 592 L CB -0.302 41.745 42.059 -0.020 0.000 0.913 592 L HN 0.219 nan 8.230 nan 0.000 0.440 593 K N -0.983 119.413 120.400 -0.007 0.000 2.243 593 K HA -0.017 4.302 4.320 -0.001 0.000 0.201 593 K C 1.648 178.246 176.600 -0.003 0.000 1.051 593 K CA 0.687 56.970 56.287 -0.007 0.000 0.970 593 K CB 0.200 32.693 32.500 -0.012 0.000 0.755 593 K HN 0.108 nan 8.250 nan 0.000 0.465 594 V N 2.219 122.135 119.914 0.004 0.000 3.596 594 V HA 0.017 4.136 4.120 -0.001 0.000 0.289 594 V C 0.280 176.389 176.094 0.026 0.000 1.336 594 V CA -0.169 62.138 62.300 0.011 0.000 1.137 594 V CB 0.208 32.039 31.823 0.013 0.000 0.966 594 V HN 0.020 nan 8.190 nan 0.000 0.428 595 V N -0.159 119.768 119.914 0.021 0.000 2.785 595 V HA 0.542 4.662 4.120 -0.001 0.000 0.300 595 V C 0.208 176.325 176.094 0.038 0.000 1.062 595 V CA -0.930 61.386 62.300 0.027 0.000 1.029 595 V CB 1.026 32.853 31.823 0.006 0.000 1.024 595 V HN 0.356 nan 8.190 nan 0.000 0.477 596 R N 4.090 124.630 120.500 0.066 0.000 2.196 596 R HA 0.352 4.691 4.340 -0.001 0.000 0.340 596 R C -2.101 174.231 176.300 0.054 0.000 1.043 596 R CA -1.647 54.501 56.100 0.080 0.000 0.883 596 R CB 1.089 31.488 30.300 0.166 0.000 1.078 596 R HN 0.638 nan 8.270 nan 0.000 0.462 597 P HA -0.058 nan 4.420 nan 0.000 0.269 597 P C -0.668 176.649 177.300 0.029 0.000 1.461 597 P CA 0.643 63.757 63.100 0.022 0.000 0.809 597 P CB -0.024 31.684 31.700 0.013 0.000 1.503 598 D N -2.780 117.648 120.400 0.046 0.000 2.514 598 D HA 0.007 4.647 4.640 -0.001 0.000 0.225 598 D C 0.967 177.295 176.300 0.046 0.000 1.159 598 D CA 0.054 54.083 54.000 0.050 0.000 0.823 598 D CB 0.071 40.915 40.800 0.074 0.000 1.097 598 D HN 0.059 nan 8.370 nan 0.000 0.519 599 T N -3.532 111.048 114.554 0.043 0.000 3.419 599 T HA 0.142 4.491 4.350 -0.001 0.000 0.291 599 T C 0.577 175.280 174.700 0.005 0.000 0.865 599 T CA -0.276 61.838 62.100 0.022 0.000 0.861 599 T CB -0.371 68.521 68.868 0.039 0.000 1.229 599 T HN 0.022 nan 8.240 nan 0.000 0.727 600 K N 0.943 121.351 120.400 0.013 0.000 3.209 600 K HA -0.156 4.163 4.320 -0.001 0.000 0.289 600 K C -0.450 176.141 176.600 -0.015 0.000 1.191 600 K CA 0.816 57.101 56.287 -0.004 0.000 0.851 600 K CB -1.237 31.252 32.500 -0.018 0.000 1.242 600 K HN 0.531 nan 8.250 nan 0.000 0.480 601 K N 1.061 121.454 120.400 -0.012 0.000 2.123 601 K HA 0.424 4.743 4.320 -0.001 0.000 0.259 601 K C 0.141 176.664 176.600 -0.129 0.000 0.960 601 K CA -0.684 55.544 56.287 -0.098 0.000 0.872 601 K CB 1.976 34.364 32.500 -0.188 0.000 1.079 601 K HN 0.043 nan 8.250 nan 0.000 0.440 602 V N -0.067 119.742 119.914 -0.175 0.000 2.435 602 V HA 0.398 4.517 4.120 -0.001 0.000 0.290 602 V C -0.913 175.001 176.094 -0.300 0.000 1.030 602 V CA -0.817 61.419 62.300 -0.105 0.000 0.881 602 V CB 0.944 32.807 31.823 0.067 0.000 0.983 602 V HN 0.691 nan 8.190 nan 0.000 0.445 603 H N 2.177 121.209 119.070 -0.063 0.000 2.718 603 H HA 0.599 5.154 4.556 -0.001 0.000 0.295 603 H C 0.463 175.746 175.328 -0.074 0.000 1.051 603 H CA 0.093 56.038 56.048 -0.171 0.000 1.260 603 H CB 1.507 30.911 29.762 -0.597 0.000 1.403 603 H HN 0.926 nan 8.280 nan 0.000 0.488 604 T N 2.351 116.941 114.554 0.060 0.000 2.793 604 T HA 0.556 4.905 4.350 -0.001 0.000 0.299 604 T C 0.002 174.706 174.700 0.005 0.000 1.038 604 T CA -0.451 61.618 62.100 -0.051 0.000 0.948 604 T CB 0.402 69.099 68.868 -0.285 0.000 1.231 604 T HN 0.467 nan 8.240 nan 0.000 0.538 605 I N 1.260 121.682 120.570 -0.246 0.000 2.610 605 I HA 0.316 4.485 4.170 -0.001 0.000 0.289 605 I C -1.433 174.483 176.117 -0.336 0.000 1.163 605 I CA -0.710 60.483 61.300 -0.179 0.000 1.044 605 I CB 1.986 39.846 38.000 -0.233 0.000 1.251 605 I HN 0.532 nan 8.210 nan 0.000 0.424 606 F N 3.994 123.964 119.950 0.033 0.000 2.334 606 F HA 0.321 4.847 4.527 -0.001 0.000 0.367 606 F C 0.383 176.180 175.800 -0.005 0.000 1.115 606 F CA -0.696 57.308 58.000 0.007 0.000 1.116 606 F CB 0.501 39.498 39.000 -0.005 0.000 1.230 606 F HN 0.368 nan 8.300 nan 0.000 0.484 607 N N 2.999 121.757 118.700 0.097 0.000 2.402 607 N HA 0.014 4.753 4.740 -0.001 0.000 0.259 607 N C 0.848 176.346 175.510 -0.020 0.000 1.167 607 N CA -0.144 52.924 53.050 0.030 0.000 0.949 607 N CB 0.609 39.104 38.487 0.013 0.000 1.212 607 N HN 0.664 nan 8.380 nan 0.000 0.493 608 Q N 2.127 121.869 119.800 -0.097 0.000 2.425 608 Q HA 0.139 4.478 4.340 -0.001 0.000 0.204 608 Q C -0.169 175.438 176.000 -0.655 0.000 0.933 608 Q CA 0.230 55.892 55.803 -0.235 0.000 0.939 608 Q CB 0.369 29.001 28.738 -0.177 0.000 1.044 608 Q HN 0.665 nan 8.270 nan 0.000 0.513 609 A N 0.709 123.180 122.820 -0.583 0.000 3.201 609 A HA 0.390 4.709 4.320 -0.001 0.000 0.312 609 A C 0.003 177.441 177.584 -0.243 0.000 1.011 609 A CA -0.385 51.118 52.037 -0.889 0.000 0.987 609 A CB 0.154 18.909 19.000 -0.408 0.000 1.060 609 A HN 0.468 nan 8.150 nan 0.000 0.505 610 L N -0.473 120.708 121.223 -0.069 0.000 2.567 610 L HA 0.207 4.547 4.340 -0.001 0.000 0.228 610 L C 1.139 178.172 176.870 0.272 0.000 1.046 610 L CA 0.918 55.861 54.840 0.172 0.000 1.013 610 L CB 0.432 42.538 42.059 0.078 0.000 1.944 610 L HN 0.454 nan 8.230 nan 0.000 0.510 611 T N -1.509 113.197 114.554 0.254 0.000 2.926 611 T HA 0.042 4.391 4.350 -0.001 0.000 0.307 611 T C 0.709 175.547 174.700 0.230 0.000 1.059 611 T CA -0.361 61.864 62.100 0.209 0.000 1.122 611 T CB 0.995 69.962 68.868 0.164 0.000 0.972 611 T HN 0.217 nan 8.240 nan 0.000 0.545 612 Q N 1.461 121.333 119.800 0.121 0.000 2.451 612 Q HA 0.025 4.365 4.340 -0.001 0.000 0.206 612 Q C 2.153 178.169 176.000 0.027 0.000 0.947 612 Q CA 1.280 57.118 55.803 0.057 0.000 0.937 612 Q CB -0.100 28.666 28.738 0.048 0.000 1.025 612 Q HN 1.040 nan 8.270 nan 0.000 0.511 613 T N -4.916 109.670 114.554 0.053 0.000 2.990 613 T HA 0.353 4.702 4.350 -0.001 0.000 0.249 613 T C 1.277 176.013 174.700 0.060 0.000 1.039 613 T CA 0.684 62.802 62.100 0.030 0.000 1.036 613 T CB 0.705 69.576 68.868 0.005 0.000 0.994 613 T HN 0.274 nan 8.240 nan 0.000 0.489 614 G N 1.211 110.097 108.800 0.143 0.000 2.159 614 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.170 614 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.170 614 G C 0.080 175.085 174.900 0.176 0.000 1.007 614 G CA -0.432 44.788 45.100 0.200 0.000 0.672 614 G HN 0.593 nan 8.290 nan 0.000 0.507 615 R N -0.700 119.899 120.500 0.164 0.000 2.541 615 R HA 0.793 5.133 4.340 -0.001 0.000 0.263 615 R C 0.560 176.976 176.300 0.193 0.000 1.112 615 R CA -0.450 55.759 56.100 0.181 0.000 1.170 615 R CB 0.552 30.940 30.300 0.147 0.000 1.167 615 R HN 0.209 nan 8.270 nan 0.000 0.582 616 L N -0.285 121.083 121.223 0.242 0.000 2.335 616 L HA 0.472 4.811 4.340 -0.001 0.000 0.268 616 L C -0.061 176.970 176.870 0.268 0.000 1.016 616 L CA -0.593 54.364 54.840 0.196 0.000 0.805 616 L CB 1.870 44.038 42.059 0.183 0.000 1.311 616 L HN 0.731 nan 8.230 nan 0.000 0.456 617 S N -0.983 114.836 115.700 0.199 0.000 2.569 617 S HA 0.558 5.027 4.470 -0.001 0.000 0.280 617 S C -0.952 173.681 174.600 0.054 0.000 1.111 617 S CA -0.701 57.595 58.200 0.161 0.000 0.887 617 S CB 1.915 65.181 63.200 0.109 0.000 1.095 617 S HN 0.444 nan 8.310 nan 0.000 0.476 618 S N 1.335 117.015 115.700 -0.033 0.000 2.478 618 S HA 0.816 5.286 4.470 -0.001 0.000 0.312 618 S C -0.528 173.963 174.600 -0.183 0.000 1.094 618 S CA -0.389 57.648 58.200 -0.272 0.000 1.081 618 S CB 0.576 63.595 63.200 -0.302 0.000 1.007 618 S HN 1.046 nan 8.310 nan 0.000 0.475 619 T N 0.986 115.406 114.554 -0.222 0.000 2.906 619 T HA 0.541 4.891 4.350 -0.001 0.000 0.295 619 T C -0.364 174.260 174.700 -0.127 0.000 1.075 619 T CA -0.950 61.070 62.100 -0.133 0.000 1.005 619 T CB 1.139 69.949 68.868 -0.098 0.000 1.136 619 T HN 0.691 nan 8.240 nan 0.000 0.498 620 E N 2.284 122.435 120.200 -0.081 0.000 1.344 620 E HA -0.171 4.178 4.350 -0.001 0.000 0.224 620 E C -2.173 174.406 176.600 -0.036 0.000 1.095 620 E CA -0.237 56.130 56.400 -0.055 0.000 0.705 620 E CB -0.238 29.429 29.700 -0.055 0.000 0.957 620 E HN 0.421 nan 8.360 nan 0.000 0.278 621 P HA 0.112 nan 4.420 nan 0.000 0.283 621 P C -0.792 176.483 177.300 -0.042 0.000 1.271 621 P CA -0.650 62.441 63.100 -0.014 0.000 0.841 621 P CB 0.820 32.546 31.700 0.044 0.000 1.122 622 N N 1.427 120.111 118.700 -0.027 0.000 2.406 622 N HA 0.113 4.853 4.740 -0.001 0.000 0.251 622 N C 0.326 175.865 175.510 0.047 0.000 1.069 622 N CA -0.058 52.975 53.050 -0.028 0.000 0.947 622 N CB -0.493 37.991 38.487 -0.006 0.000 1.111 622 N HN 0.308 nan 8.380 nan 0.000 0.497 623 L N 2.638 123.858 121.223 -0.005 0.000 2.741 623 L HA 0.203 4.543 4.340 -0.001 0.000 0.237 623 L C 1.187 178.141 176.870 0.141 0.000 1.178 623 L CA 0.132 55.007 54.840 0.059 0.000 0.973 623 L CB 0.084 42.096 42.059 -0.078 0.000 1.255 623 L HN 0.512 nan 8.230 nan 0.000 0.498 624 Q N 0.672 120.555 119.800 0.138 0.000 2.247 624 Q HA 0.089 4.429 4.340 -0.001 0.000 0.211 624 Q C 0.388 176.526 176.000 0.230 0.000 0.861 624 Q CA 0.025 55.936 55.803 0.179 0.000 0.949 624 Q CB 0.463 29.272 28.738 0.119 0.000 1.115 624 Q HN 0.451 nan 8.270 nan 0.000 0.507 625 N N -0.408 118.444 118.700 0.253 0.000 2.466 625 N HA 0.068 4.808 4.740 -0.001 0.000 0.272 625 N C -0.566 175.129 175.510 0.310 0.000 1.455 625 N CA -0.222 52.985 53.050 0.262 0.000 0.875 625 N CB 0.326 38.963 38.487 0.249 0.000 1.372 625 N HN -0.080 nan 8.380 nan 0.000 0.492 626 I N 1.214 121.925 120.570 0.235 0.000 2.648 626 I HA 0.258 4.428 4.170 -0.001 0.000 0.284 626 I C -1.660 174.314 176.117 -0.239 0.000 1.153 626 I CA -1.814 59.488 61.300 0.004 0.000 1.426 626 I CB -0.260 37.779 38.000 0.064 0.000 1.381 626 I HN -0.101 nan 8.210 nan 0.000 0.571 627 P HA 0.005 nan 4.420 nan 0.000 0.267 627 P C 0.359 177.524 177.300 -0.225 0.000 1.195 627 P CA 0.555 63.459 63.100 -0.328 0.000 0.773 627 P CB 0.945 32.410 31.700 -0.392 0.000 0.837 628 I N 1.323 121.805 120.570 -0.146 0.000 4.199 628 I HA 0.147 4.316 4.170 -0.001 0.000 0.280 628 I C 2.088 178.158 176.117 -0.079 0.000 1.122 628 I CA 0.284 61.508 61.300 -0.127 0.000 1.318 628 I CB -0.304 37.627 38.000 -0.115 0.000 1.737 628 I HN 0.085 nan 8.210 nan 0.000 0.428 629 R N 1.091 121.560 120.500 -0.052 0.000 2.112 629 R HA -0.078 4.261 4.340 -0.001 0.000 0.242 629 R C 0.055 176.336 176.300 -0.032 0.000 1.137 629 R CA 1.613 57.695 56.100 -0.030 0.000 0.944 629 R CB -0.400 29.894 30.300 -0.009 0.000 0.857 629 R HN 0.310 nan 8.270 nan 0.000 0.435 630 L N 1.502 122.704 121.223 -0.035 0.000 2.265 630 L HA 0.170 4.509 4.340 -0.001 0.000 0.289 630 L C 0.948 177.803 176.870 -0.025 0.000 1.033 630 L CA -0.517 54.307 54.840 -0.026 0.000 0.814 630 L CB 1.697 43.745 42.059 -0.019 0.000 1.203 630 L HN 0.150 nan 8.230 nan 0.000 0.423 631 E N 1.904 122.098 120.200 -0.010 0.000 2.396 631 E HA -0.197 4.153 4.350 -0.001 0.000 0.200 631 E C 1.085 177.692 176.600 0.010 0.000 1.023 631 E CA 1.088 57.500 56.400 0.021 0.000 0.857 631 E CB 0.354 30.070 29.700 0.027 0.000 0.775 631 E HN 0.675 nan 8.360 nan 0.000 0.525 632 E N -0.824 119.369 120.200 -0.012 0.000 2.033 632 E HA -0.043 4.306 4.350 -0.001 0.000 0.189 632 E C 2.061 178.632 176.600 -0.048 0.000 0.979 632 E CA 1.182 57.568 56.400 -0.023 0.000 0.802 632 E CB -0.550 29.145 29.700 -0.008 0.000 0.763 632 E HN 0.257 nan 8.360 nan 0.000 0.449 633 G N 0.388 109.153 108.800 -0.060 0.000 2.551 633 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.216 633 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.216 633 G C 1.508 176.332 174.900 -0.127 0.000 1.137 633 G CA 0.193 45.230 45.100 -0.105 0.000 0.798 633 G HN 0.076 nan 8.290 nan 0.000 0.536 634 R N 0.670 121.123 120.500 -0.077 0.000 2.189 634 R HA 0.034 4.373 4.340 -0.001 0.000 0.223 634 R C 2.058 178.366 176.300 0.012 0.000 1.092 634 R CA 0.944 57.018 56.100 -0.043 0.000 0.989 634 R CB -0.189 30.119 30.300 0.013 0.000 0.876 634 R HN 0.193 nan 8.270 nan 0.000 0.457 635 K N 0.325 120.686 120.400 -0.065 0.000 2.442 635 K HA -0.083 4.237 4.320 -0.001 0.000 0.199 635 K C 1.636 178.098 176.600 -0.230 0.000 1.044 635 K CA 0.468 56.597 56.287 -0.263 0.000 0.941 635 K CB 0.067 32.426 32.500 -0.236 0.000 0.759 635 K HN 0.214 nan 8.250 nan 0.000 0.472 636 I N 0.999 121.493 120.570 -0.127 0.000 2.315 636 I HA -0.225 3.944 4.170 -0.001 0.000 0.248 636 I C 1.550 177.664 176.117 -0.004 0.000 1.117 636 I CA 1.323 62.573 61.300 -0.083 0.000 1.404 636 I CB -0.672 37.294 38.000 -0.057 0.000 1.071 636 I HN 0.151 nan 8.210 nan 0.000 0.419 637 R N 0.762 121.290 120.500 0.046 0.000 2.425 637 R HA -0.148 4.191 4.340 -0.001 0.000 0.206 637 R C 1.615 178.089 176.300 0.291 0.000 1.117 637 R CA 0.412 56.634 56.100 0.204 0.000 1.098 637 R CB -0.224 29.992 30.300 -0.140 0.000 0.843 637 R HN 0.600 nan 8.270 nan 0.000 0.480 638 Q N -0.747 119.091 119.800 0.063 0.000 2.373 638 Q HA 0.113 4.452 4.340 -0.001 0.000 0.210 638 Q C 1.936 177.947 176.000 0.019 0.000 0.913 638 Q CA 0.597 56.414 55.803 0.024 0.000 0.911 638 Q CB 0.402 29.021 28.738 -0.198 0.000 1.040 638 Q HN 0.315 nan 8.270 nan 0.000 0.521 639 A N 0.515 123.274 122.820 -0.102 0.000 2.067 639 A HA -0.048 4.271 4.320 -0.001 0.000 0.219 639 A C 0.279 177.750 177.584 -0.189 0.000 1.158 639 A CA 0.514 52.423 52.037 -0.212 0.000 0.661 639 A CB -0.213 18.560 19.000 -0.379 0.000 0.801 639 A HN 0.192 nan 8.150 nan 0.000 0.452 640 F N 0.961 121.013 119.950 0.170 0.000 2.464 640 F HA 0.395 4.922 4.527 -0.001 0.000 0.353 640 F C 0.479 176.386 175.800 0.178 0.000 1.191 640 F CA -0.650 57.468 58.000 0.198 0.000 1.147 640 F CB 0.340 39.560 39.000 0.368 0.000 1.294 640 F HN 0.078 nan 8.300 nan 0.000 0.583 641 V N 1.627 121.684 119.914 0.239 0.000 2.881 641 V HA 0.728 4.847 4.120 -0.001 0.000 0.316 641 V C -2.681 173.501 176.094 0.145 0.000 1.070 641 V CA -3.313 59.095 62.300 0.180 0.000 0.976 641 V CB 1.742 33.629 31.823 0.106 0.000 1.038 641 V HN 0.241 nan 8.190 nan 0.000 0.446 642 P HA 0.120 nan 4.420 nan 0.000 0.268 642 P C 0.723 178.026 177.300 0.005 0.000 1.208 642 P CA 0.363 63.537 63.100 0.125 0.000 0.777 642 P CB 0.540 32.362 31.700 0.203 0.000 0.875 643 S N 0.742 116.389 115.700 -0.089 0.000 2.720 643 S HA 0.019 4.488 4.470 -0.001 0.000 0.222 643 S C 0.179 174.578 174.600 -0.336 0.000 0.958 643 S CA 0.054 58.136 58.200 -0.196 0.000 0.943 643 S CB -0.962 62.115 63.200 -0.205 0.000 0.779 643 S HN 0.641 nan 8.310 nan 0.000 0.526 644 E N -0.390 119.588 120.200 -0.369 0.000 2.381 644 E HA 0.248 4.598 4.350 -0.001 0.000 0.281 644 E C -1.210 175.266 176.600 -0.206 0.000 1.151 644 E CA -0.913 55.255 56.400 -0.386 0.000 0.904 644 E CB -0.044 29.273 29.700 -0.639 0.000 1.234 644 E HN 0.163 nan 8.360 nan 0.000 0.427 645 S N 1.058 116.720 115.700 -0.063 0.000 2.558 645 S HA 0.030 4.499 4.470 -0.001 0.000 0.291 645 S C 0.378 175.133 174.600 0.257 0.000 1.306 645 S CA 0.746 58.993 58.200 0.079 0.000 1.056 645 S CB 0.049 63.281 63.200 0.053 0.000 0.836 645 S HN 0.725 nan 8.310 nan 0.000 0.504 646 D N -0.679 119.857 120.400 0.227 0.000 3.079 646 D HA -0.132 4.507 4.640 -0.001 0.000 0.214 646 D C -1.018 175.447 176.300 0.274 0.000 1.145 646 D CA 1.481 55.611 54.000 0.217 0.000 0.958 646 D CB -1.485 39.416 40.800 0.168 0.000 1.117 646 D HN 0.683 nan 8.370 nan 0.000 0.416 647 W N 0.485 121.787 121.300 0.003 0.000 2.512 647 W HA 0.690 5.349 4.660 -0.001 0.000 0.335 647 W C 0.663 177.205 176.519 0.038 0.000 1.088 647 W CA -0.418 56.925 57.345 -0.003 0.000 1.236 647 W CB 0.782 30.230 29.460 -0.020 0.000 1.307 647 W HN -0.184 nan 8.180 nan 0.000 0.567 648 L N 3.635 124.994 121.223 0.226 0.000 2.283 648 L HA 0.557 4.896 4.340 -0.001 0.000 0.259 648 L C -0.488 176.533 176.870 0.252 0.000 1.027 648 L CA -1.421 53.556 54.840 0.227 0.000 0.828 648 L CB 1.588 43.764 42.059 0.195 0.000 1.380 648 L HN 0.040 nan 8.230 nan 0.000 0.425 649 I N 1.172 121.912 120.570 0.283 0.000 2.392 649 I HA 0.356 4.525 4.170 -0.001 0.000 0.295 649 I C -0.735 175.593 176.117 0.351 0.000 0.985 649 I CA -0.167 61.298 61.300 0.274 0.000 1.221 649 I CB 1.372 39.521 38.000 0.249 0.000 1.366 649 I HN 0.344 nan 8.210 nan 0.000 0.467 650 F N 5.044 125.080 119.950 0.144 0.000 2.540 650 F HA 0.761 5.287 4.527 -0.001 0.000 0.317 650 F C -0.573 175.301 175.800 0.124 0.000 1.104 650 F CA -0.467 57.630 58.000 0.162 0.000 0.913 650 F CB 1.734 40.790 39.000 0.094 0.000 1.170 650 F HN 0.511 nan 8.300 nan 0.000 0.450 651 A N 4.125 126.723 122.820 -0.370 0.000 2.371 651 A HA 0.930 5.250 4.320 -0.001 0.000 0.311 651 A C -1.597 175.778 177.584 -0.348 0.000 1.068 651 A CA -0.301 51.628 52.037 -0.181 0.000 0.744 651 A CB 1.182 20.207 19.000 0.040 0.000 1.239 651 A HN 1.273 nan 8.150 nan 0.000 0.435 652 A N 1.528 124.283 122.820 -0.109 0.000 2.386 652 A HA 0.795 5.114 4.320 -0.001 0.000 0.311 652 A C -1.272 176.273 177.584 -0.065 0.000 1.068 652 A CA -0.431 51.564 52.037 -0.070 0.000 0.743 652 A CB 1.390 20.395 19.000 0.007 0.000 1.258 652 A HN 0.758 nan 8.150 nan 0.000 0.429 653 D N 0.687 121.047 120.400 -0.068 0.000 2.896 653 D HA 0.369 5.008 4.640 -0.001 0.000 0.241 653 D C -1.506 174.778 176.300 -0.027 0.000 1.188 653 D CA -0.000 53.989 54.000 -0.019 0.000 0.879 653 D CB 1.266 42.102 40.800 0.060 0.000 1.553 653 D HN 0.476 nan 8.370 nan 0.000 0.515 654 Y N 1.124 121.479 120.300 0.092 0.000 2.377 654 Y HA 0.123 4.672 4.550 -0.001 0.000 0.330 654 Y C 1.300 177.262 175.900 0.102 0.000 1.108 654 Y CA -0.074 58.075 58.100 0.082 0.000 1.308 654 Y CB 1.161 39.659 38.460 0.062 0.000 1.216 654 Y HN 0.165 nan 8.280 nan 0.000 0.518 655 S N 3.337 119.193 115.700 0.260 0.000 2.541 655 S HA 0.200 4.669 4.470 -0.001 0.000 0.283 655 S C -0.221 174.511 174.600 0.220 0.000 1.196 655 S CA -0.664 57.667 58.200 0.219 0.000 1.062 655 S CB 0.873 64.174 63.200 0.168 0.000 1.009 655 S HN 0.849 nan 8.310 nan 0.000 0.502 656 Q N 1.116 121.075 119.800 0.265 0.000 2.435 656 Q HA -0.217 4.122 4.340 -0.001 0.000 0.286 656 Q C 0.668 176.785 176.000 0.195 0.000 1.229 656 Q CA 0.638 56.599 55.803 0.264 0.000 0.884 656 Q CB -1.801 27.068 28.738 0.218 0.000 1.245 656 Q HN 0.828 nan 8.270 nan 0.000 0.488 657 I N 0.897 121.588 120.570 0.202 0.000 2.113 657 I HA -0.305 3.865 4.170 -0.001 0.000 0.242 657 I C 1.899 178.020 176.117 0.006 0.000 1.064 657 I CA 2.288 63.623 61.300 0.059 0.000 1.320 657 I CB -0.030 38.012 38.000 0.071 0.000 1.028 657 I HN 0.296 nan 8.210 nan 0.000 0.406 658 E N -0.387 119.881 120.200 0.115 0.000 2.427 658 E HA -0.063 4.287 4.350 -0.001 0.000 0.196 658 E C 2.214 178.931 176.600 0.194 0.000 1.028 658 E CA 0.403 56.874 56.400 0.119 0.000 0.864 658 E CB -0.030 29.702 29.700 0.054 0.000 0.813 658 E HN 0.529 nan 8.360 nan 0.000 0.514 659 L N 0.136 121.495 121.223 0.226 0.000 2.162 659 L HA -0.039 4.301 4.340 -0.001 0.000 0.205 659 L C 2.409 179.074 176.870 -0.341 0.000 1.086 659 L CA 0.770 55.673 54.840 0.106 0.000 0.778 659 L CB -0.188 42.075 42.059 0.340 0.000 0.928 659 L HN 0.048 nan 8.230 nan 0.000 0.446 660 R N -0.458 119.611 120.500 -0.719 0.000 2.066 660 R HA -0.107 4.232 4.340 -0.001 0.000 0.232 660 R C 2.261 178.349 176.300 -0.354 0.000 1.131 660 R CA 1.056 56.620 56.100 -0.893 0.000 0.955 660 R CB -0.462 29.413 30.300 -0.709 0.000 0.851 660 R HN 0.118 nan 8.270 nan 0.000 0.432 661 V N 1.533 121.312 119.914 -0.225 0.000 2.295 661 V HA -0.243 3.876 4.120 -0.001 0.000 0.246 661 V C 2.220 178.274 176.094 -0.068 0.000 1.049 661 V CA 1.639 63.867 62.300 -0.121 0.000 1.024 661 V CB -0.482 31.283 31.823 -0.096 0.000 0.648 661 V HN 0.246 nan 8.190 nan 0.000 0.447 662 L N 0.910 122.089 121.223 -0.073 0.000 2.042 662 L HA -0.125 4.214 4.340 -0.001 0.000 0.210 662 L C 2.445 179.240 176.870 -0.125 0.000 1.076 662 L CA 2.431 57.212 54.840 -0.098 0.000 0.749 662 L CB -1.009 41.025 42.059 -0.042 0.000 0.893 662 L HN 0.233 nan 8.230 nan 0.000 0.432 663 A N -1.349 121.418 122.820 -0.089 0.000 1.908 663 A HA -0.317 4.003 4.320 -0.001 0.000 0.218 663 A C 2.276 179.828 177.584 -0.054 0.000 1.181 663 A CA 1.920 53.932 52.037 -0.041 0.000 0.627 663 A CB -1.061 17.963 19.000 0.040 0.000 0.818 663 A HN 0.769 nan 8.150 nan 0.000 0.445 664 H N -0.507 118.486 119.070 -0.128 0.000 2.299 664 H HA 0.006 4.561 4.556 -0.001 0.000 0.302 664 H C 1.809 177.059 175.328 -0.130 0.000 1.078 664 H CA 1.985 57.968 56.048 -0.108 0.000 1.323 664 H CB -0.233 29.461 29.762 -0.114 0.000 1.381 664 H HN 0.376 nan 8.280 nan 0.000 0.498 665 I N 0.272 120.797 120.570 -0.076 0.000 2.226 665 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 665 I C 2.397 178.274 176.117 -0.400 0.000 1.100 665 I CA 1.206 62.380 61.300 -0.210 0.000 1.374 665 I CB -0.285 37.573 38.000 -0.237 0.000 1.057 665 I HN 0.484 nan 8.210 nan 0.000 0.413 666 A N -0.642 121.921 122.820 -0.429 0.000 2.178 666 A HA -0.015 4.305 4.320 -0.001 0.000 0.211 666 A C 0.989 178.504 177.584 -0.114 0.000 1.157 666 A CA 0.082 51.934 52.037 -0.309 0.000 0.780 666 A CB -0.214 18.655 19.000 -0.217 0.000 0.828 666 A HN 0.487 nan 8.150 nan 0.000 0.476 667 E N 0.611 120.726 120.200 -0.142 0.000 2.360 667 E HA -0.196 4.154 4.350 -0.001 0.000 0.238 667 E C -0.631 175.957 176.600 -0.019 0.000 1.186 667 E CA 0.682 57.026 56.400 -0.092 0.000 0.719 667 E CB -1.367 28.278 29.700 -0.091 0.000 1.236 667 E HN 0.740 nan 8.360 nan 0.000 0.386 668 D N 0.993 121.396 120.400 0.004 0.000 2.383 668 D HA -0.020 4.620 4.640 -0.001 0.000 0.245 668 D C 0.800 177.148 176.300 0.079 0.000 1.263 668 D CA -0.172 53.867 54.000 0.066 0.000 0.936 668 D CB 0.481 41.332 40.800 0.085 0.000 1.053 668 D HN 0.066 nan 8.370 nan 0.000 0.507 669 D N 2.841 123.280 120.400 0.066 0.000 2.149 669 D HA -0.237 4.402 4.640 -0.001 0.000 0.194 669 D C 1.585 177.933 176.300 0.081 0.000 1.001 669 D CA 0.827 54.862 54.000 0.058 0.000 0.849 669 D CB 0.073 40.897 40.800 0.040 0.000 0.939 669 D HN 0.542 nan 8.370 nan 0.000 0.449 670 N N 0.598 119.366 118.700 0.113 0.000 2.084 670 N HA -0.143 4.596 4.740 -0.001 0.000 0.190 670 N C 1.922 177.557 175.510 0.209 0.000 1.030 670 N CA 0.610 53.738 53.050 0.131 0.000 0.849 670 N CB -0.232 38.329 38.487 0.123 0.000 1.012 670 N HN 0.139 nan 8.380 nan 0.000 0.423 671 L N 1.170 122.552 121.223 0.265 0.000 2.217 671 L HA 0.127 4.467 4.340 -0.001 0.000 0.211 671 L C 2.297 179.274 176.870 0.179 0.000 1.107 671 L CA 1.003 55.935 54.840 0.154 0.000 0.783 671 L CB -0.461 41.541 42.059 -0.095 0.000 0.919 671 L HN 0.165 nan 8.230 nan 0.000 0.442 672 M N -1.358 118.335 119.600 0.155 0.000 2.374 672 M HA -0.125 4.354 4.480 -0.001 0.000 0.264 672 M C 1.764 178.149 176.300 0.142 0.000 1.067 672 M CA 1.043 56.441 55.300 0.163 0.000 1.103 672 M CB -0.352 32.301 32.600 0.089 0.000 1.402 672 M HN 0.255 nan 8.290 nan 0.000 0.444 673 E N 0.571 120.825 120.200 0.090 0.000 2.086 673 E HA -0.000 4.349 4.350 -0.001 0.000 0.190 673 E C 2.148 178.745 176.600 -0.006 0.000 0.975 673 E CA 1.020 57.446 56.400 0.044 0.000 0.813 673 E CB -0.109 29.606 29.700 0.024 0.000 0.768 673 E HN 0.426 nan 8.360 nan 0.000 0.457 674 A N 0.305 123.081 122.820 -0.073 0.000 1.986 674 A HA -0.177 4.142 4.320 -0.001 0.000 0.220 674 A C 1.852 179.192 177.584 -0.406 0.000 1.171 674 A CA 1.340 53.213 52.037 -0.272 0.000 0.640 674 A CB -0.734 18.019 19.000 -0.411 0.000 0.811 674 A HN 0.198 nan 8.150 nan 0.000 0.451 675 F N -1.587 118.359 119.950 -0.006 0.000 2.656 675 F HA 0.168 4.694 4.527 -0.001 0.000 0.291 675 F C 2.432 178.236 175.800 0.006 0.000 1.122 675 F CA 0.392 58.387 58.000 -0.007 0.000 1.427 675 F CB 0.069 39.062 39.000 -0.012 0.000 1.125 675 F HN 0.031 nan 8.300 nan 0.000 0.583 676 R N 0.379 120.967 120.500 0.146 0.000 2.075 676 R HA 0.024 4.363 4.340 -0.001 0.000 0.226 676 R C 1.721 178.054 176.300 0.056 0.000 1.114 676 R CA 0.818 56.975 56.100 0.095 0.000 0.972 676 R CB -0.179 30.164 30.300 0.071 0.000 0.869 676 R HN 0.147 nan 8.270 nan 0.000 0.437 677 R N 0.857 121.371 120.500 0.023 0.000 2.346 677 R HA -0.058 4.281 4.340 -0.001 0.000 0.199 677 R C -0.089 176.210 176.300 -0.002 0.000 1.015 677 R CA 0.526 56.626 56.100 0.001 0.000 1.058 677 R CB -0.210 30.076 30.300 -0.023 0.000 0.921 677 R HN 0.170 nan 8.270 nan 0.000 0.475 678 D N 0.271 120.685 120.400 0.024 0.000 2.955 678 D HA -0.180 4.459 4.640 -0.001 0.000 0.226 678 D C -0.548 175.743 176.300 -0.015 0.000 1.178 678 D CA 0.604 54.627 54.000 0.038 0.000 0.808 678 D CB -0.845 39.980 40.800 0.043 0.000 1.099 678 D HN 0.213 nan 8.370 nan 0.000 0.421 679 L N -0.185 120.985 121.223 -0.088 0.000 2.476 679 L HA 0.202 4.541 4.340 -0.001 0.000 0.264 679 L C 0.976 177.740 176.870 -0.177 0.000 1.224 679 L CA 0.210 54.971 54.840 -0.131 0.000 0.821 679 L CB 0.287 42.242 42.059 -0.174 0.000 1.101 679 L HN 0.121 nan 8.230 nan 0.000 0.488 680 D N 1.469 121.789 120.400 -0.133 0.000 2.441 680 D HA 0.159 4.798 4.640 -0.001 0.000 0.231 680 D C 0.793 176.999 176.300 -0.158 0.000 1.073 680 D CA -0.458 53.470 54.000 -0.121 0.000 0.850 680 D CB 1.327 42.110 40.800 -0.029 0.000 1.062 680 D HN 0.286 nan 8.370 nan 0.000 0.524 681 I N 3.449 123.847 120.570 -0.287 0.000 2.493 681 I HA -0.186 3.983 4.170 -0.001 0.000 0.254 681 I C 1.736 177.836 176.117 -0.030 0.000 1.160 681 I CA 0.782 61.949 61.300 -0.221 0.000 1.445 681 I CB -0.738 37.063 38.000 -0.332 0.000 1.086 681 I HN 0.506 nan 8.210 nan 0.000 0.433 682 H N 0.493 119.564 119.070 0.003 0.000 2.363 682 H HA -0.042 4.513 4.556 -0.001 0.000 0.301 682 H C 2.382 177.742 175.328 0.054 0.000 1.074 682 H CA 1.985 58.049 56.048 0.026 0.000 1.354 682 H CB -0.823 28.964 29.762 0.041 0.000 1.397 682 H HN 0.370 nan 8.280 nan 0.000 0.516 683 T N -0.809 113.841 114.554 0.159 0.000 2.821 683 T HA -0.135 4.214 4.350 -0.001 0.000 0.267 683 T C 1.991 176.748 174.700 0.095 0.000 1.046 683 T CA 1.399 63.567 62.100 0.114 0.000 1.139 683 T CB 0.043 68.952 68.868 0.069 0.000 0.871 683 T HN 0.236 nan 8.240 nan 0.000 0.454 684 K N 0.731 121.168 120.400 0.062 0.000 2.152 684 K HA -0.120 4.200 4.320 -0.001 0.000 0.206 684 K C 2.284 178.940 176.600 0.093 0.000 1.048 684 K CA 1.615 57.930 56.287 0.045 0.000 0.933 684 K CB -0.397 32.101 32.500 -0.004 0.000 0.721 684 K HN 0.373 nan 8.250 nan 0.000 0.447 685 T N 0.339 114.978 114.554 0.142 0.000 2.812 685 T HA -0.021 4.328 4.350 -0.001 0.000 0.264 685 T C 1.780 176.556 174.700 0.126 0.000 1.042 685 T CA 1.066 63.289 62.100 0.205 0.000 1.140 685 T CB -0.181 68.855 68.868 0.280 0.000 0.870 685 T HN 0.390 nan 8.240 nan 0.000 0.445 686 A N 1.390 124.311 122.820 0.168 0.000 1.908 686 A HA -0.127 4.192 4.320 -0.001 0.000 0.218 686 A C 2.309 180.064 177.584 0.285 0.000 1.181 686 A CA 1.674 53.885 52.037 0.290 0.000 0.627 686 A CB -0.711 18.469 19.000 0.300 0.000 0.818 686 A HN 0.458 nan 8.150 nan 0.000 0.445 687 M N -0.851 118.849 119.600 0.167 0.000 2.067 687 M HA -0.160 4.319 4.480 -0.001 0.000 0.260 687 M C 2.095 178.441 176.300 0.077 0.000 1.069 687 M CA 1.998 57.373 55.300 0.124 0.000 1.117 687 M CB -0.424 32.222 32.600 0.077 0.000 1.334 687 M HN 0.521 nan 8.290 nan 0.000 0.407 688 D N 0.665 121.098 120.400 0.055 0.000 2.144 688 D HA -0.158 4.482 4.640 -0.001 0.000 0.199 688 D C 1.765 178.001 176.300 -0.107 0.000 0.984 688 D CA 1.265 55.289 54.000 0.041 0.000 0.834 688 D CB 0.127 41.036 40.800 0.181 0.000 0.955 688 D HN 0.207 nan 8.370 nan 0.000 0.465 689 I N -0.051 120.341 120.570 -0.295 0.000 2.286 689 I HA -0.163 4.006 4.170 -0.001 0.000 0.245 689 I C 1.556 177.284 176.117 -0.649 0.000 1.104 689 I CA 0.763 61.665 61.300 -0.664 0.000 1.397 689 I CB -1.064 36.335 38.000 -1.002 0.000 1.072 689 I HN -0.036 nan 8.210 nan 0.000 0.417 690 F N 0.386 120.291 119.950 -0.075 0.000 2.664 690 F HA 0.260 4.786 4.527 -0.001 0.000 0.303 690 F C 0.477 176.257 175.800 -0.033 0.000 1.092 690 F CA -0.619 57.350 58.000 -0.051 0.000 1.305 690 F CB -0.488 38.489 39.000 -0.038 0.000 1.054 690 F HN -0.050 nan 8.300 nan 0.000 0.565 691 Q N 0.836 120.681 119.800 0.075 0.000 2.434 691 Q HA -0.143 4.196 4.340 -0.001 0.000 0.366 691 Q C -0.607 175.441 176.000 0.079 0.000 1.398 691 Q CA 0.496 56.333 55.803 0.056 0.000 1.074 691 Q CB -1.105 27.652 28.738 0.032 0.000 1.236 691 Q HN 0.274 nan 8.270 nan 0.000 0.329 692 V N -0.040 119.926 119.914 0.087 0.000 3.147 692 V HA 0.839 4.958 4.120 -0.001 0.000 0.306 692 V C -0.178 175.945 176.094 0.049 0.000 1.209 692 V CA -0.028 62.313 62.300 0.067 0.000 1.023 692 V CB 2.495 34.365 31.823 0.080 0.000 1.059 692 V HN 0.642 nan 8.190 nan 0.000 0.435 693 S N 2.417 118.134 115.700 0.028 0.000 2.608 693 S HA 0.258 4.728 4.470 -0.001 0.000 0.261 693 S C 0.956 175.569 174.600 0.021 0.000 1.314 693 S CA 0.629 58.841 58.200 0.020 0.000 0.992 693 S CB 0.947 64.152 63.200 0.009 0.000 0.935 693 S HN 0.936 nan 8.310 nan 0.000 0.564 694 E N 0.287 120.496 120.200 0.016 0.000 2.106 694 E HA -0.191 4.159 4.350 -0.001 0.000 0.192 694 E C 1.065 177.669 176.600 0.007 0.000 0.984 694 E CA 1.303 57.712 56.400 0.016 0.000 0.806 694 E CB -0.166 29.540 29.700 0.010 0.000 0.750 694 E HN 0.706 nan 8.360 nan 0.000 0.458 695 D N 0.419 120.820 120.400 0.001 0.000 2.178 695 D HA -0.139 4.501 4.640 -0.001 0.000 0.202 695 D C 1.350 177.642 176.300 -0.013 0.000 0.974 695 D CA 0.982 54.978 54.000 -0.007 0.000 0.841 695 D CB 0.046 40.841 40.800 -0.007 0.000 0.953 695 D HN 0.390 nan 8.370 nan 0.000 0.478 696 E N 0.595 120.787 120.200 -0.012 0.000 2.435 696 E HA 0.015 4.364 4.350 -0.001 0.000 0.195 696 E C 0.536 177.111 176.600 -0.042 0.000 1.029 696 E CA -0.135 56.250 56.400 -0.025 0.000 0.865 696 E CB 0.490 30.179 29.700 -0.019 0.000 0.833 696 E HN -0.025 nan 8.360 nan 0.000 0.510 697 V N 3.472 123.369 119.914 -0.029 0.000 2.484 697 V HA -0.099 4.020 4.120 -0.001 0.000 0.276 697 V C 0.683 176.734 176.094 -0.072 0.000 0.976 697 V CA 0.774 63.047 62.300 -0.045 0.000 1.141 697 V CB -0.468 31.356 31.823 0.001 0.000 0.975 697 V HN 0.180 nan 8.190 nan 0.000 0.466 698 T N 9.768 124.245 114.554 -0.129 0.000 2.791 698 T HA 0.067 4.416 4.350 -0.001 0.000 0.323 698 T C -0.640 174.000 174.700 -0.100 0.000 1.082 698 T CA -0.345 61.680 62.100 -0.124 0.000 1.084 698 T CB 0.765 69.527 68.868 -0.178 0.000 0.992 698 T HN 0.593 nan 8.240 nan 0.000 0.547 699 P HA -0.084 nan 4.420 nan 0.000 0.219 699 P C 1.144 178.413 177.300 -0.051 0.000 1.150 699 P CA 0.944 64.013 63.100 -0.051 0.000 0.814 699 P CB 0.183 31.854 31.700 -0.049 0.000 0.787 700 N N -0.174 118.477 118.700 -0.081 0.000 2.270 700 N HA -0.069 4.670 4.740 -0.001 0.000 0.181 700 N C 1.946 177.394 175.510 -0.104 0.000 1.016 700 N CA 0.984 53.988 53.050 -0.077 0.000 0.870 700 N CB -0.801 37.631 38.487 -0.092 0.000 0.979 700 N HN -0.009 nan 8.380 nan 0.000 0.431 701 M N -0.145 119.322 119.600 -0.222 0.000 2.080 701 M HA -0.163 4.316 4.480 -0.001 0.000 0.260 701 M C 2.353 178.685 176.300 0.054 0.000 1.068 701 M CA 1.495 56.605 55.300 -0.317 0.000 1.109 701 M CB -0.172 32.149 32.600 -0.464 0.000 1.342 701 M HN 0.176 nan 8.290 nan 0.000 0.405 702 R N 0.075 120.597 120.500 0.036 0.000 2.070 702 R HA -0.129 4.210 4.340 -0.001 0.000 0.233 702 R C 2.206 178.555 176.300 0.081 0.000 1.137 702 R CA 1.634 57.790 56.100 0.092 0.000 0.945 702 R CB -0.115 30.232 30.300 0.078 0.000 0.845 702 R HN 0.275 nan 8.270 nan 0.000 0.430 703 R N 0.060 120.592 120.500 0.054 0.000 2.091 703 R HA -0.200 4.139 4.340 -0.001 0.000 0.238 703 R C 2.410 178.746 176.300 0.060 0.000 1.136 703 R CA 1.929 58.059 56.100 0.050 0.000 0.959 703 R CB -0.301 30.023 30.300 0.040 0.000 0.856 703 R HN 0.439 nan 8.270 nan 0.000 0.437 704 Q N -0.171 119.685 119.800 0.094 0.000 2.369 704 Q HA -0.053 4.286 4.340 -0.001 0.000 0.206 704 Q C 1.702 177.777 176.000 0.126 0.000 0.963 704 Q CA 1.053 56.939 55.803 0.138 0.000 0.894 704 Q CB 0.168 29.052 28.738 0.243 0.000 0.965 704 Q HN 0.370 nan 8.270 nan 0.000 0.475 705 A N 0.413 123.309 122.820 0.127 0.000 1.975 705 A HA -0.085 4.234 4.320 -0.001 0.000 0.215 705 A C 1.893 179.437 177.584 -0.068 0.000 1.170 705 A CA 0.818 52.899 52.037 0.074 0.000 0.656 705 A CB -0.191 18.898 19.000 0.148 0.000 0.821 705 A HN 0.230 nan 8.150 nan 0.000 0.449 706 K N 0.029 120.337 120.400 -0.153 0.000 2.032 706 K HA -0.130 4.190 4.320 -0.001 0.000 0.209 706 K C 2.111 178.612 176.600 -0.165 0.000 1.048 706 K CA 1.313 57.357 56.287 -0.405 0.000 0.927 706 K CB -0.295 32.093 32.500 -0.185 0.000 0.712 706 K HN 0.372 nan 8.250 nan 0.000 0.441 707 A N 0.360 123.188 122.820 0.013 0.000 2.019 707 A HA -0.084 4.235 4.320 -0.001 0.000 0.219 707 A C 2.123 179.733 177.584 0.043 0.000 1.164 707 A CA 1.345 53.440 52.037 0.097 0.000 0.644 707 A CB -0.330 18.725 19.000 0.092 0.000 0.805 707 A HN 0.183 nan 8.150 nan 0.000 0.449 708 V N 0.743 120.642 119.914 -0.024 0.000 2.453 708 V HA -0.186 3.933 4.120 -0.001 0.000 0.247 708 V C 2.174 178.193 176.094 -0.124 0.000 1.048 708 V CA 1.861 64.132 62.300 -0.049 0.000 1.049 708 V CB -0.814 30.983 31.823 -0.043 0.000 0.672 708 V HN 0.548 nan 8.190 nan 0.000 0.457 709 N N 0.185 118.789 118.700 -0.159 0.000 2.135 709 N HA -0.078 4.662 4.740 -0.001 0.000 0.186 709 N C 1.693 177.036 175.510 -0.280 0.000 1.027 709 N CA 1.454 54.386 53.050 -0.197 0.000 0.849 709 N CB -0.407 37.981 38.487 -0.164 0.000 1.002 709 N HN 0.416 nan 8.380 nan 0.000 0.425 710 F N 1.123 121.081 119.950 0.013 0.000 2.206 710 F HA 0.132 4.658 4.527 -0.001 0.000 0.298 710 F C 2.586 178.431 175.800 0.074 0.000 1.090 710 F CA 0.621 58.628 58.000 0.011 0.000 1.323 710 F CB -1.225 37.906 39.000 0.218 0.000 1.028 710 F HN 0.044 nan 8.300 nan 0.000 0.492 711 G N 0.277 109.209 108.800 0.220 0.000 2.469 711 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.219 711 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.219 711 G C 1.795 176.742 174.900 0.077 0.000 1.150 711 G CA 1.153 46.347 45.100 0.156 0.000 0.763 711 G HN 0.450 nan 8.290 nan 0.000 0.561 712 I N 1.071 121.589 120.570 -0.088 0.000 2.584 712 I HA -0.047 4.122 4.170 -0.001 0.000 0.255 712 I C 2.605 178.743 176.117 0.034 0.000 1.145 712 I CA 1.021 62.226 61.300 -0.158 0.000 1.462 712 I CB 0.156 37.763 38.000 -0.656 0.000 1.102 712 I HN 0.116 nan 8.210 nan 0.000 0.433 713 V N -1.712 118.175 119.914 -0.045 0.000 3.041 713 V HA -0.096 4.023 4.120 -0.001 0.000 0.260 713 V C 1.200 177.322 176.094 0.045 0.000 1.105 713 V CA 0.898 63.237 62.300 0.065 0.000 1.125 713 V CB -1.137 30.610 31.823 -0.126 0.000 0.730 713 V HN 0.387 nan 8.190 nan 0.000 0.479 714 Y N 2.117 122.539 120.300 0.204 0.000 2.746 714 Y HA 0.666 5.215 4.550 -0.001 0.000 0.312 714 Y C 1.677 177.630 175.900 0.089 0.000 1.117 714 Y CA -1.073 57.115 58.100 0.147 0.000 1.324 714 Y CB -0.050 38.492 38.460 0.137 0.000 1.173 714 Y HN 0.414 nan 8.280 nan 0.000 0.529 715 G N 1.155 110.086 108.800 0.218 0.000 2.256 715 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.272 715 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.272 715 G C 0.073 175.022 174.900 0.082 0.000 1.076 715 G CA 0.084 45.256 45.100 0.120 0.000 0.882 715 G HN 0.485 nan 8.290 nan 0.000 0.497 716 I N 1.018 121.648 120.570 0.100 0.000 2.662 716 I HA 0.558 4.727 4.170 -0.001 0.000 0.291 716 I C 1.140 177.293 176.117 0.060 0.000 1.046 716 I CA 0.030 61.369 61.300 0.065 0.000 1.361 716 I CB 1.004 39.041 38.000 0.061 0.000 1.429 716 I HN 0.468 nan 8.210 nan 0.000 0.558 717 S N 2.925 118.654 115.700 0.049 0.000 2.730 717 S HA 0.255 4.724 4.470 -0.001 0.000 0.284 717 S C 0.530 175.148 174.600 0.030 0.000 1.153 717 S CA -0.200 58.028 58.200 0.046 0.000 0.995 717 S CB 1.409 64.650 63.200 0.069 0.000 1.058 717 S HN 0.724 nan 8.310 nan 0.000 0.552 718 D N 0.278 120.661 120.400 -0.028 0.000 2.097 718 D HA -0.188 4.451 4.640 -0.001 0.000 0.195 718 D C 1.320 177.561 176.300 -0.099 0.000 0.989 718 D CA 1.398 55.339 54.000 -0.098 0.000 0.827 718 D CB -0.764 39.910 40.800 -0.209 0.000 0.966 718 D HN 0.585 nan 8.370 nan 0.000 0.456 719 Y N 1.334 121.647 120.300 0.022 0.000 2.256 719 Y HA 0.025 4.574 4.550 -0.001 0.000 0.288 719 Y C 2.756 178.669 175.900 0.020 0.000 1.155 719 Y CA 1.254 59.365 58.100 0.019 0.000 1.203 719 Y CB -0.818 37.651 38.460 0.015 0.000 0.980 719 Y HN 0.144 nan 8.280 nan 0.000 0.530 720 G N -0.521 108.374 108.800 0.158 0.000 2.414 720 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.215 720 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.215 720 G C 1.631 176.573 174.900 0.071 0.000 1.188 720 G CA 0.893 46.055 45.100 0.103 0.000 0.783 720 G HN 0.350 nan 8.290 nan 0.000 0.537 721 L N 1.340 122.591 121.223 0.047 0.000 2.141 721 L HA 0.236 4.575 4.340 -0.001 0.000 0.209 721 L C 2.961 179.838 176.870 0.013 0.000 1.094 721 L CA 1.812 56.664 54.840 0.021 0.000 0.763 721 L CB -0.631 41.437 42.059 0.014 0.000 0.908 721 L HN 0.243 nan 8.230 nan 0.000 0.437 722 A N -0.761 122.075 122.820 0.028 0.000 1.832 722 A HA -0.266 4.053 4.320 -0.001 0.000 0.214 722 A C 2.257 179.874 177.584 0.056 0.000 1.200 722 A CA 1.596 53.653 52.037 0.033 0.000 0.610 722 A CB -0.872 18.158 19.000 0.050 0.000 0.842 722 A HN 0.507 nan 8.150 nan 0.000 0.444 723 Q N 0.160 120.013 119.800 0.089 0.000 2.439 723 Q HA -0.141 4.198 4.340 -0.001 0.000 0.211 723 Q C 1.718 177.757 176.000 0.066 0.000 0.978 723 Q CA 1.545 57.398 55.803 0.083 0.000 0.897 723 Q CB -0.398 28.395 28.738 0.092 0.000 0.956 723 Q HN 0.687 nan 8.270 nan 0.000 0.483 724 N N -0.813 117.918 118.700 0.053 0.000 2.135 724 N HA -0.073 4.666 4.740 -0.001 0.000 0.186 724 N C 1.078 176.609 175.510 0.035 0.000 1.027 724 N CA 1.424 54.500 53.050 0.044 0.000 0.849 724 N CB 0.062 38.568 38.487 0.031 0.000 1.002 724 N HN 0.325 nan 8.380 nan 0.000 0.425 725 L N -0.902 120.326 121.223 0.009 0.000 2.334 725 L HA 0.251 4.590 4.340 -0.001 0.000 0.195 725 L C 1.012 177.897 176.870 0.024 0.000 1.281 725 L CA 0.263 55.101 54.840 -0.003 0.000 1.004 725 L CB -0.172 41.836 42.059 -0.085 0.000 1.119 725 L HN 0.114 nan 8.230 nan 0.000 0.575 726 N N -0.020 118.685 118.700 0.009 0.000 3.624 726 N HA 0.102 4.842 4.740 -0.001 0.000 0.131 726 N C -1.490 174.028 175.510 0.013 0.000 0.987 726 N CA 0.022 53.090 53.050 0.030 0.000 2.687 726 N CB 0.404 38.919 38.487 0.047 0.000 1.443 726 N HN 0.380 nan 8.380 nan 0.000 0.765 727 I N -0.580 119.990 120.570 0.000 0.000 2.533 727 I HA 0.543 4.712 4.170 -0.001 0.000 0.290 727 I C 0.812 176.934 176.117 0.008 0.000 1.056 727 I CA -0.750 60.544 61.300 -0.010 0.000 1.057 727 I CB 1.841 39.811 38.000 -0.050 0.000 1.240 727 I HN 0.109 nan 8.210 nan 0.000 0.423 728 S N 4.942 120.652 115.700 0.016 0.000 2.548 728 S HA -0.087 4.382 4.470 -0.001 0.000 0.266 728 S C 1.240 175.839 174.600 -0.001 0.000 1.374 728 S CA 0.360 58.576 58.200 0.026 0.000 0.997 728 S CB 0.557 63.770 63.200 0.022 0.000 0.855 728 S HN 1.008 nan 8.310 nan 0.000 0.534 729 R N 1.326 121.816 120.500 -0.018 0.000 2.073 729 R HA -0.151 4.188 4.340 -0.001 0.000 0.234 729 R C 2.321 178.544 176.300 -0.129 0.000 1.134 729 R CA 1.856 57.865 56.100 -0.153 0.000 0.952 729 R CB -0.597 29.487 30.300 -0.361 0.000 0.850 729 R HN 0.858 nan 8.270 nan 0.000 0.433 730 K N 0.549 120.904 120.400 -0.075 0.000 2.113 730 K HA -0.185 4.134 4.320 -0.001 0.000 0.208 730 K C 1.717 178.302 176.600 -0.025 0.000 1.047 730 K CA 2.079 58.338 56.287 -0.048 0.000 0.928 730 K CB 0.015 32.502 32.500 -0.021 0.000 0.716 730 K HN 0.382 nan 8.250 nan 0.000 0.446 731 E N -0.548 119.641 120.200 -0.018 0.000 2.216 731 E HA -0.100 4.249 4.350 -0.001 0.000 0.192 731 E C 1.869 178.474 176.600 0.008 0.000 0.988 731 E CA 0.667 57.065 56.400 -0.003 0.000 0.834 731 E CB 0.049 29.740 29.700 -0.014 0.000 0.772 731 E HN 0.404 nan 8.360 nan 0.000 0.479 732 A N 1.417 124.228 122.820 -0.015 0.000 1.968 732 A HA 0.006 4.325 4.320 -0.001 0.000 0.217 732 A C 2.321 179.922 177.584 0.029 0.000 1.169 732 A CA 1.413 53.449 52.037 -0.002 0.000 0.638 732 A CB -0.296 18.683 19.000 -0.035 0.000 0.812 732 A HN 0.262 nan 8.150 nan 0.000 0.446 733 A N -0.251 122.563 122.820 -0.010 0.000 2.016 733 A HA -0.010 4.310 4.320 -0.001 0.000 0.217 733 A C 1.834 179.440 177.584 0.036 0.000 1.162 733 A CA 1.207 53.243 52.037 -0.001 0.000 0.662 733 A CB -0.326 18.645 19.000 -0.049 0.000 0.812 733 A HN 0.600 nan 8.150 nan 0.000 0.450 734 E N -1.236 118.992 120.200 0.047 0.000 2.072 734 E HA -0.147 4.203 4.350 -0.001 0.000 0.191 734 E C 1.694 178.353 176.600 0.099 0.000 0.985 734 E CA 1.190 57.625 56.400 0.058 0.000 0.801 734 E CB -0.233 29.500 29.700 0.054 0.000 0.750 734 E HN 0.658 nan 8.360 nan 0.000 0.452 735 F N 1.529 121.465 119.950 -0.024 0.000 2.060 735 F HA -0.131 4.395 4.527 -0.001 0.000 0.295 735 F C 2.106 177.910 175.800 0.007 0.000 1.120 735 F CA 1.166 59.157 58.000 -0.015 0.000 1.205 735 F CB -0.328 38.650 39.000 -0.037 0.000 0.986 735 F HN -0.117 nan 8.300 nan 0.000 0.470 736 I N 0.409 121.015 120.570 0.060 0.000 2.143 736 I HA -0.408 3.761 4.170 -0.001 0.000 0.245 736 I C 2.478 178.594 176.117 -0.001 0.000 1.068 736 I CA 2.204 63.479 61.300 -0.042 0.000 1.326 736 I CB -0.586 37.459 38.000 0.075 0.000 1.028 736 I HN 0.315 nan 8.210 nan 0.000 0.412 737 E N 0.727 120.955 120.200 0.047 0.000 2.150 737 E HA -0.213 4.136 4.350 -0.001 0.000 0.193 737 E C 2.313 178.910 176.600 -0.003 0.000 0.985 737 E CA 0.917 57.365 56.400 0.081 0.000 0.814 737 E CB 0.113 29.843 29.700 0.049 0.000 0.752 737 E HN 0.393 nan 8.360 nan 0.000 0.466 738 R N -0.753 119.675 120.500 -0.120 0.000 2.066 738 R HA -0.141 4.198 4.340 -0.001 0.000 0.232 738 R C 2.222 178.340 176.300 -0.303 0.000 1.131 738 R CA 1.481 57.455 56.100 -0.210 0.000 0.955 738 R CB -0.543 29.596 30.300 -0.269 0.000 0.851 738 R HN 0.263 nan 8.270 nan 0.000 0.432 739 Y N 0.054 119.993 120.300 -0.601 0.000 2.151 739 Y HA -0.257 4.292 4.550 -0.001 0.000 0.284 739 Y C 1.512 177.129 175.900 -0.471 0.000 1.166 739 Y CA 1.644 59.351 58.100 -0.654 0.000 1.163 739 Y CB 0.023 37.980 38.460 -0.838 0.000 0.974 739 Y HN -0.046 nan 8.280 nan 0.000 0.511 740 F N -0.607 119.400 119.950 0.095 0.000 2.743 740 F HA 0.041 4.567 4.527 -0.001 0.000 0.297 740 F C 2.007 177.799 175.800 -0.013 0.000 1.131 740 F CA 0.518 58.574 58.000 0.093 0.000 1.426 740 F CB -0.273 38.782 39.000 0.091 0.000 1.116 740 F HN 0.059 nan 8.300 nan 0.000 0.583 741 E N -0.617 119.607 120.200 0.039 0.000 2.216 741 E HA -0.085 4.265 4.350 -0.001 0.000 0.192 741 E C 2.107 178.628 176.600 -0.132 0.000 0.988 741 E CA 0.933 57.316 56.400 -0.028 0.000 0.834 741 E CB 0.004 29.667 29.700 -0.063 0.000 0.772 741 E HN 0.197 nan 8.360 nan 0.000 0.479 742 S N 0.180 115.696 115.700 -0.306 0.000 2.395 742 S HA 0.014 4.483 4.470 -0.001 0.000 0.225 742 S C 0.327 174.562 174.600 -0.609 0.000 1.027 742 S CA 0.635 58.482 58.200 -0.589 0.000 0.965 742 S CB 0.135 62.736 63.200 -0.999 0.000 0.812 742 S HN 0.100 nan 8.310 nan 0.000 0.482 743 F N 1.766 121.680 119.950 -0.061 0.000 2.389 743 F HA 0.376 4.902 4.527 -0.001 0.000 0.327 743 F C -2.001 173.893 175.800 0.158 0.000 1.204 743 F CA -2.753 55.261 58.000 0.023 0.000 1.209 743 F CB 0.945 39.941 39.000 -0.007 0.000 1.460 743 F HN 0.036 nan 8.300 nan 0.000 0.537 744 P HA -0.002 nan 4.420 nan 0.000 0.242 744 P C 1.346 178.747 177.300 0.169 0.000 1.197 744 P CA 0.781 63.990 63.100 0.182 0.000 0.765 744 P CB 0.446 32.202 31.700 0.095 0.000 0.936 745 G N 0.213 109.135 108.800 0.203 0.000 2.441 745 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.212 745 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.212 745 G C 1.564 176.589 174.900 0.208 0.000 1.164 745 G CA 0.161 45.360 45.100 0.165 0.000 0.811 745 G HN 0.084 nan 8.290 nan 0.000 0.535 746 V N 1.289 121.359 119.914 0.260 0.000 2.233 746 V HA -0.203 3.917 4.120 -0.001 0.000 0.247 746 V C 2.688 178.957 176.094 0.292 0.000 1.050 746 V CA 2.458 64.940 62.300 0.304 0.000 1.010 746 V CB -0.487 31.540 31.823 0.339 0.000 0.637 746 V HN 0.446 nan 8.190 nan 0.000 0.444 747 K N 0.189 120.736 120.400 0.246 0.000 2.044 747 K HA -0.285 4.034 4.320 -0.001 0.000 0.210 747 K C 2.407 178.959 176.600 -0.080 0.000 1.049 747 K CA 2.225 58.404 56.287 -0.181 0.000 0.927 747 K CB -0.268 31.997 32.500 -0.391 0.000 0.713 747 K HN 0.348 nan 8.250 nan 0.000 0.443 748 R N -0.335 120.180 120.500 0.026 0.000 2.070 748 R HA -0.219 4.120 4.340 -0.001 0.000 0.233 748 R C 2.461 178.785 176.300 0.039 0.000 1.137 748 R CA 1.865 57.978 56.100 0.022 0.000 0.945 748 R CB -0.686 29.646 30.300 0.054 0.000 0.845 748 R HN 0.406 nan 8.270 nan 0.000 0.430 749 Y N 1.135 121.441 120.300 0.011 0.000 2.151 749 Y HA -0.268 4.282 4.550 -0.001 0.000 0.284 749 Y C 2.076 177.983 175.900 0.012 0.000 1.166 749 Y CA 1.924 60.034 58.100 0.016 0.000 1.163 749 Y CB -0.242 38.239 38.460 0.034 0.000 0.974 749 Y HN 0.070 nan 8.280 nan 0.000 0.511 750 M N 0.625 120.111 119.600 -0.190 0.000 2.202 750 M HA -0.195 4.284 4.480 -0.001 0.000 0.262 750 M C 1.951 178.100 176.300 -0.250 0.000 1.063 750 M CA 1.622 56.759 55.300 -0.273 0.000 1.097 750 M CB -1.151 31.408 32.600 -0.068 0.000 1.382 750 M HN 0.463 nan 8.290 nan 0.000 0.413 751 E N -0.056 120.036 120.200 -0.179 0.000 2.028 751 E HA -0.133 4.216 4.350 -0.001 0.000 0.190 751 E C 1.807 178.319 176.600 -0.146 0.000 0.984 751 E CA 0.817 57.134 56.400 -0.137 0.000 0.800 751 E CB -0.126 29.514 29.700 -0.099 0.000 0.758 751 E HN 0.486 nan 8.360 nan 0.000 0.448 752 N N 0.963 119.573 118.700 -0.151 0.000 2.289 752 N HA -0.139 4.600 4.740 -0.001 0.000 0.184 752 N C 1.761 177.162 175.510 -0.181 0.000 1.016 752 N CA 0.643 53.617 53.050 -0.127 0.000 0.872 752 N CB -0.097 38.352 38.487 -0.062 0.000 0.973 752 N HN 0.123 nan 8.380 nan 0.000 0.433 753 I N 0.416 120.779 120.570 -0.345 0.000 2.439 753 I HA -0.111 4.059 4.170 -0.001 0.000 0.251 753 I C 1.811 177.816 176.117 -0.186 0.000 1.139 753 I CA 0.649 61.751 61.300 -0.330 0.000 1.438 753 I CB -0.035 37.591 38.000 -0.623 0.000 1.085 753 I HN -0.177 nan 8.210 nan 0.000 0.427 754 V N 0.290 120.106 119.914 -0.164 0.000 2.379 754 V HA -0.210 3.909 4.120 -0.001 0.000 0.245 754 V C 2.457 178.503 176.094 -0.080 0.000 1.044 754 V CA 1.338 63.580 62.300 -0.096 0.000 1.036 754 V CB -0.764 31.015 31.823 -0.074 0.000 0.664 754 V HN 0.393 nan 8.190 nan 0.000 0.453 755 Q N -0.125 119.624 119.800 -0.084 0.000 2.170 755 Q HA -0.213 4.126 4.340 -0.001 0.000 0.203 755 Q C 2.169 178.125 176.000 -0.075 0.000 0.976 755 Q CA 1.586 57.348 55.803 -0.067 0.000 0.858 755 Q CB -0.229 28.473 28.738 -0.060 0.000 0.907 755 Q HN 0.781 nan 8.270 nan 0.000 0.433 756 E N -0.005 120.141 120.200 -0.090 0.000 2.076 756 E HA -0.066 4.283 4.350 -0.001 0.000 0.190 756 E C 1.859 178.381 176.600 -0.131 0.000 0.979 756 E CA 0.702 57.042 56.400 -0.101 0.000 0.807 756 E CB 0.086 29.733 29.700 -0.088 0.000 0.761 756 E HN 0.239 nan 8.360 nan 0.000 0.454 757 A N 1.713 124.466 122.820 -0.112 0.000 1.892 757 A HA -0.279 4.040 4.320 -0.001 0.000 0.218 757 A C 2.113 179.633 177.584 -0.106 0.000 1.188 757 A CA 2.136 54.107 52.037 -0.109 0.000 0.631 757 A CB -0.562 18.404 19.000 -0.058 0.000 0.822 757 A HN 0.201 nan 8.150 nan 0.000 0.447 758 K N -0.751 119.604 120.400 -0.075 0.000 1.991 758 K HA -0.226 4.093 4.320 -0.001 0.000 0.212 758 K C 2.426 178.983 176.600 -0.072 0.000 1.049 758 K CA 1.841 58.095 56.287 -0.055 0.000 0.932 758 K CB -0.270 32.205 32.500 -0.041 0.000 0.717 758 K HN 0.525 nan 8.250 nan 0.000 0.441 759 Q N 0.798 120.546 119.800 -0.086 0.000 2.061 759 Q HA -0.221 4.118 4.340 -0.001 0.000 0.204 759 Q C 1.562 177.486 176.000 -0.127 0.000 0.984 759 Q CA 1.993 57.742 55.803 -0.088 0.000 0.846 759 Q CB 0.049 28.738 28.738 -0.082 0.000 0.902 759 Q HN 0.334 nan 8.270 nan 0.000 0.421 760 K N -1.775 118.492 120.400 -0.222 0.000 2.262 760 K HA 0.065 4.384 4.320 -0.001 0.000 0.200 760 K C 1.165 177.535 176.600 -0.384 0.000 1.049 760 K CA 0.625 56.684 56.287 -0.381 0.000 0.979 760 K CB 0.374 32.468 32.500 -0.676 0.000 0.773 760 K HN 0.455 nan 8.250 nan 0.000 0.474 761 G N 0.933 109.586 108.800 -0.245 0.000 2.175 761 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.244 761 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.244 761 G C -0.186 174.741 174.900 0.045 0.000 0.982 761 G CA 0.589 45.668 45.100 -0.036 0.000 0.641 761 G HN 0.357 nan 8.290 nan 0.000 0.527 762 Y N -2.362 117.905 120.300 -0.055 0.000 2.788 762 Y HA 0.721 5.270 4.550 -0.001 0.000 0.335 762 Y C -0.526 175.286 175.900 -0.147 0.000 1.287 762 Y CA -1.444 56.549 58.100 -0.179 0.000 1.068 762 Y CB 0.658 38.777 38.460 -0.568 0.000 1.340 762 Y HN 1.157 nan 8.280 nan 0.000 0.449 763 V N -0.647 119.386 119.914 0.199 0.000 2.914 763 V HA 1.000 5.119 4.120 -0.001 0.000 0.314 763 V C -0.535 175.647 176.094 0.146 0.000 1.084 763 V CA -0.200 62.182 62.300 0.136 0.000 0.963 763 V CB 1.302 33.159 31.823 0.057 0.000 1.025 763 V HN 1.465 nan 8.190 nan 0.000 0.432 764 T N -0.323 114.294 114.554 0.104 0.000 2.916 764 T HA 0.794 5.143 4.350 -0.001 0.000 0.292 764 T C 0.149 174.855 174.700 0.010 0.000 1.055 764 T CA 0.042 62.154 62.100 0.020 0.000 1.009 764 T CB 1.672 70.537 68.868 -0.006 0.000 1.118 764 T HN 1.416 nan 8.240 nan 0.000 0.497 765 T N 0.042 114.591 114.554 -0.009 0.000 2.902 765 T HA 0.417 4.766 4.350 -0.001 0.000 0.287 765 T C 1.250 175.952 174.700 0.003 0.000 1.048 765 T CA -1.012 61.095 62.100 0.010 0.000 0.941 765 T CB 0.150 69.028 68.868 0.017 0.000 1.432 765 T HN 0.316 nan 8.240 nan 0.000 0.586 766 L N -0.428 120.807 121.223 0.019 0.000 2.056 766 L HA 0.214 4.553 4.340 -0.001 0.000 0.207 766 L C 1.846 178.784 176.870 0.113 0.000 1.078 766 L CA 1.694 56.552 54.840 0.030 0.000 0.749 766 L CB -1.160 40.887 42.059 -0.020 0.000 0.901 766 L HN 0.625 nan 8.230 nan 0.000 0.433 767 L N -1.040 120.260 121.223 0.129 0.000 2.912 767 L HA 0.117 4.456 4.340 -0.001 0.000 0.240 767 L C 0.102 177.169 176.870 0.328 0.000 1.262 767 L CA -0.213 54.754 54.840 0.210 0.000 1.058 767 L CB -0.417 41.685 42.059 0.072 0.000 1.383 767 L HN 0.352 nan 8.230 nan 0.000 0.512 768 H N -1.837 117.229 119.070 -0.008 0.000 3.109 768 H HA -0.179 4.376 4.556 -0.001 0.000 0.245 768 H C 1.006 176.304 175.328 -0.050 0.000 1.187 768 H CA 0.480 56.515 56.048 -0.022 0.000 1.136 768 H CB -1.410 28.341 29.762 -0.018 0.000 1.243 768 H HN 0.403 nan 8.280 nan 0.000 0.328 769 R N 0.969 121.501 120.500 0.053 0.000 2.784 769 R HA 0.405 4.744 4.340 -0.001 0.000 0.266 769 R C 0.393 176.643 176.300 -0.083 0.000 1.044 769 R CA -0.006 56.088 56.100 -0.009 0.000 1.151 769 R CB 0.639 30.941 30.300 0.004 0.000 1.037 769 R HN 0.363 nan 8.270 nan 0.000 0.478 770 R N 1.244 121.655 120.500 -0.149 0.000 2.698 770 R HA 0.384 4.723 4.340 -0.001 0.000 0.275 770 R C -1.502 174.659 176.300 -0.230 0.000 1.001 770 R CA -0.803 55.140 56.100 -0.261 0.000 0.896 770 R CB 1.547 31.576 30.300 -0.452 0.000 1.218 770 R HN 0.647 nan 8.270 nan 0.000 0.462 771 R N 3.315 123.674 120.500 -0.235 0.000 2.512 771 R HA 0.229 4.568 4.340 -0.001 0.000 0.291 771 R C -1.688 174.554 176.300 -0.097 0.000 1.097 771 R CA -0.533 55.502 56.100 -0.109 0.000 0.940 771 R CB 0.909 31.189 30.300 -0.034 0.000 1.198 771 R HN 0.548 nan 8.270 nan 0.000 0.429 772 Y N 4.233 124.560 120.300 0.044 0.000 2.359 772 Y HA 0.228 4.777 4.550 -0.001 0.000 0.330 772 Y C 0.511 176.456 175.900 0.075 0.000 1.143 772 Y CA -0.157 58.005 58.100 0.104 0.000 1.318 772 Y CB 1.055 39.558 38.460 0.072 0.000 1.234 772 Y HN 0.398 nan 8.280 nan 0.000 0.522 773 L N 6.699 128.041 121.223 0.198 0.000 2.679 773 L HA 0.246 4.585 4.340 -0.001 0.000 0.238 773 L C -1.599 175.337 176.870 0.109 0.000 1.330 773 L CA -1.435 53.479 54.840 0.124 0.000 0.935 773 L CB 0.780 42.886 42.059 0.079 0.000 1.243 773 L HN 0.515 nan 8.230 nan 0.000 0.484 774 P HA -0.212 nan 4.420 nan 0.000 0.216 774 P C 0.605 177.935 177.300 0.049 0.000 1.153 774 P CA 1.310 64.456 63.100 0.077 0.000 0.858 774 P CB 0.395 32.131 31.700 0.061 0.000 0.789 775 D N -0.359 120.070 120.400 0.048 0.000 2.357 775 D HA -0.132 4.507 4.640 -0.001 0.000 0.216 775 D C 1.709 178.033 176.300 0.039 0.000 0.973 775 D CA 0.462 54.485 54.000 0.038 0.000 0.912 775 D CB -0.833 39.995 40.800 0.048 0.000 0.900 775 D HN 0.181 nan 8.370 nan 0.000 0.501 776 I N 0.541 121.137 120.570 0.042 0.000 3.010 776 I HA -0.173 3.996 4.170 -0.001 0.000 0.271 776 I C 1.542 177.669 176.117 0.016 0.000 1.293 776 I CA 1.171 62.489 61.300 0.031 0.000 1.452 776 I CB -0.128 37.886 38.000 0.024 0.000 1.082 776 I HN -0.019 nan 8.210 nan 0.000 0.484 777 T N -3.979 110.581 114.554 0.010 0.000 3.091 777 T HA 0.249 4.598 4.350 -0.001 0.000 0.277 777 T C 0.818 175.507 174.700 -0.019 0.000 0.996 777 T CA -0.079 62.019 62.100 -0.004 0.000 0.897 777 T CB -0.433 68.433 68.868 -0.003 0.000 1.109 777 T HN 0.134 nan 8.240 nan 0.000 0.534 778 S N 1.098 116.788 115.700 -0.017 0.000 2.568 778 S HA 0.225 4.694 4.470 -0.001 0.000 0.282 778 S C 1.115 175.661 174.600 -0.090 0.000 1.338 778 S CA -0.461 57.715 58.200 -0.041 0.000 1.045 778 S CB 0.487 63.672 63.200 -0.025 0.000 0.873 778 S HN 0.499 nan 8.310 nan 0.000 0.516 779 R N 2.020 122.440 120.500 -0.133 0.000 2.334 779 R HA 0.155 4.494 4.340 -0.001 0.000 0.220 779 R C 0.179 176.244 176.300 -0.392 0.000 0.917 779 R CA -0.087 55.871 56.100 -0.237 0.000 1.073 779 R CB 0.018 30.209 30.300 -0.182 0.000 1.056 779 R HN 0.436 nan 8.270 nan 0.000 0.506 780 N N 0.925 119.473 118.700 -0.254 0.000 2.645 780 N HA -0.006 4.733 4.740 -0.001 0.000 0.233 780 N C 0.448 175.887 175.510 -0.119 0.000 1.058 780 N CA -0.120 52.800 53.050 -0.217 0.000 0.942 780 N CB 0.250 38.689 38.487 -0.081 0.000 1.210 780 N HN -0.098 nan 8.380 nan 0.000 0.512 781 F N 2.363 122.336 119.950 0.039 0.000 2.076 781 F HA -0.377 4.149 4.527 -0.001 0.000 0.294 781 F C 2.266 178.115 175.800 0.082 0.000 1.078 781 F CA 1.710 59.740 58.000 0.050 0.000 1.247 781 F CB -1.035 37.990 39.000 0.043 0.000 0.984 781 F HN 0.451 nan 8.300 nan 0.000 0.491 782 N N 0.815 119.686 118.700 0.285 0.000 2.006 782 N HA -0.171 4.568 4.740 -0.001 0.000 0.196 782 N C 1.864 177.540 175.510 0.276 0.000 1.057 782 N CA 1.990 55.203 53.050 0.273 0.000 0.853 782 N CB -0.727 37.883 38.487 0.204 0.000 1.051 782 N HN 0.051 nan 8.380 nan 0.000 0.423 783 V N 1.130 121.126 119.914 0.138 0.000 2.363 783 V HA -0.278 3.841 4.120 -0.001 0.000 0.254 783 V C 2.591 178.766 176.094 0.134 0.000 1.074 783 V CA 2.242 64.594 62.300 0.086 0.000 1.069 783 V CB -0.703 31.127 31.823 0.012 0.000 0.659 783 V HN 0.417 nan 8.190 nan 0.000 0.455 784 R N -0.023 120.549 120.500 0.120 0.000 2.057 784 R HA -0.128 4.211 4.340 -0.001 0.000 0.229 784 R C 2.568 178.951 176.300 0.139 0.000 1.136 784 R CA 1.756 57.919 56.100 0.104 0.000 0.952 784 R CB -0.391 29.954 30.300 0.076 0.000 0.848 784 R HN 0.489 nan 8.270 nan 0.000 0.430 785 S N 0.508 116.310 115.700 0.170 0.000 2.365 785 S HA -0.182 4.287 4.470 -0.001 0.000 0.225 785 S C 1.627 176.289 174.600 0.104 0.000 1.039 785 S CA 1.763 60.037 58.200 0.122 0.000 1.033 785 S CB -0.458 62.809 63.200 0.113 0.000 0.887 785 S HN 0.311 nan 8.310 nan 0.000 0.447 786 F N 1.576 121.555 119.950 0.047 0.000 2.161 786 F HA -0.163 4.363 4.527 -0.001 0.000 0.300 786 F C 2.481 178.300 175.800 0.032 0.000 1.089 786 F CA 1.000 59.023 58.000 0.040 0.000 1.282 786 F CB -0.413 38.609 39.000 0.037 0.000 1.010 786 F HN 0.207 nan 8.300 nan 0.000 0.485 787 A N -0.718 122.232 122.820 0.216 0.000 2.014 787 A HA -0.132 4.187 4.320 -0.001 0.000 0.218 787 A C 2.053 179.682 177.584 0.076 0.000 1.163 787 A CA 1.301 53.414 52.037 0.127 0.000 0.652 787 A CB -0.568 18.491 19.000 0.099 0.000 0.808 787 A HN 0.395 nan 8.150 nan 0.000 0.449 788 E N -0.342 119.896 120.200 0.063 0.000 2.106 788 E HA -0.144 4.205 4.350 -0.001 0.000 0.192 788 E C 2.174 178.784 176.600 0.016 0.000 0.984 788 E CA 0.840 57.255 56.400 0.025 0.000 0.806 788 E CB -0.090 29.620 29.700 0.017 0.000 0.750 788 E HN 0.507 nan 8.360 nan 0.000 0.458 789 R N -0.286 120.223 120.500 0.015 0.000 2.235 789 R HA 0.021 4.360 4.340 -0.001 0.000 0.213 789 R C 2.101 178.416 176.300 0.025 0.000 1.059 789 R CA 0.706 56.814 56.100 0.014 0.000 0.997 789 R CB 0.001 30.274 30.300 -0.045 0.000 0.884 789 R HN 0.230 nan 8.270 nan 0.000 0.462 790 M N -0.592 119.030 119.600 0.035 0.000 2.388 790 M HA 0.024 4.503 4.480 -0.001 0.000 0.265 790 M C 2.264 178.580 176.300 0.027 0.000 1.088 790 M CA 0.948 56.266 55.300 0.029 0.000 1.134 790 M CB 0.098 32.731 32.600 0.056 0.000 1.384 790 M HN 0.166 nan 8.290 nan 0.000 0.447 791 A N 0.364 123.199 122.820 0.024 0.000 1.968 791 A HA -0.080 4.239 4.320 -0.001 0.000 0.217 791 A C 2.054 179.648 177.584 0.017 0.000 1.169 791 A CA 1.194 53.236 52.037 0.008 0.000 0.638 791 A CB -0.412 18.573 19.000 -0.025 0.000 0.812 791 A HN 0.432 nan 8.150 nan 0.000 0.446 792 M N -0.756 118.869 119.600 0.041 0.000 2.193 792 M HA -0.065 4.414 4.480 -0.001 0.000 0.265 792 M C 2.185 178.668 176.300 0.305 0.000 1.071 792 M CA 1.427 56.803 55.300 0.127 0.000 1.140 792 M CB -0.419 32.280 32.600 0.165 0.000 1.369 792 M HN 0.571 nan 8.290 nan 0.000 0.423 793 N N -0.038 118.759 118.700 0.162 0.000 2.173 793 N HA -0.106 4.633 4.740 -0.001 0.000 0.184 793 N C 1.469 176.958 175.510 -0.035 0.000 1.025 793 N CA 1.596 54.605 53.050 -0.068 0.000 0.852 793 N CB 0.074 38.309 38.487 -0.420 0.000 0.998 793 N HN 0.189 nan 8.380 nan 0.000 0.427 794 T N 1.749 116.301 114.554 -0.004 0.000 2.665 794 T HA -0.066 4.283 4.350 -0.001 0.000 0.268 794 T C -0.990 173.740 174.700 0.050 0.000 1.035 794 T CA 1.356 63.459 62.100 0.007 0.000 1.151 794 T CB -0.997 67.877 68.868 0.011 0.000 0.862 794 T HN 0.381 nan 8.240 nan 0.000 0.438 795 P HA -0.021 nan 4.420 nan 0.000 0.216 795 P C 1.352 178.717 177.300 0.108 0.000 1.150 795 P CA 0.816 63.991 63.100 0.125 0.000 0.837 795 P CB -0.144 31.690 31.700 0.224 0.000 0.786 796 I N -0.703 119.961 120.570 0.157 0.000 2.193 796 I HA -0.150 4.020 4.170 -0.001 0.000 0.240 796 I C 2.466 178.629 176.117 0.077 0.000 1.084 796 I CA 1.544 62.932 61.300 0.146 0.000 1.365 796 I CB -1.934 36.257 38.000 0.319 0.000 1.064 796 I HN 0.077 nan 8.210 nan 0.000 0.410 797 Q N 1.011 120.831 119.800 0.034 0.000 2.172 797 Q HA -0.097 4.242 4.340 -0.001 0.000 0.200 797 Q C 2.205 178.195 176.000 -0.016 0.000 0.964 797 Q CA 1.593 57.376 55.803 -0.033 0.000 0.855 797 Q CB -0.127 28.539 28.738 -0.121 0.000 0.918 797 Q HN 0.523 nan 8.270 nan 0.000 0.444 798 G N -0.305 108.495 108.800 0.000 0.000 2.402 798 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.216 798 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.216 798 G C 1.434 176.339 174.900 0.007 0.000 1.162 798 G CA 0.770 45.877 45.100 0.011 0.000 0.777 798 G HN 0.329 nan 8.290 nan 0.000 0.539 799 S N 0.875 116.576 115.700 0.001 0.000 2.442 799 S HA 0.065 4.535 4.470 -0.001 0.000 0.236 799 S C 2.547 177.112 174.600 -0.057 0.000 1.007 799 S CA 0.972 59.158 58.200 -0.022 0.000 0.965 799 S CB -0.107 63.078 63.200 -0.024 0.000 0.773 799 S HN 0.569 nan 8.310 nan 0.000 0.504 800 A N 1.044 123.832 122.820 -0.054 0.000 2.021 800 A HA 0.431 4.751 4.320 -0.001 0.000 0.216 800 A C 2.244 179.797 177.584 -0.051 0.000 1.163 800 A CA 1.040 53.023 52.037 -0.091 0.000 0.676 800 A CB -0.663 18.292 19.000 -0.075 0.000 0.818 800 A HN 0.470 nan 8.150 nan 0.000 0.453 801 A N 0.209 123.026 122.820 -0.004 0.000 1.969 801 A HA -0.106 4.213 4.320 -0.001 0.000 0.218 801 A C 1.676 179.272 177.584 0.021 0.000 1.169 801 A CA 1.736 53.794 52.037 0.035 0.000 0.635 801 A CB -0.413 18.624 19.000 0.061 0.000 0.810 801 A HN 0.408 nan 8.150 nan 0.000 0.445 802 D N 0.221 120.622 120.400 0.001 0.000 2.097 802 D HA -0.105 4.534 4.640 -0.001 0.000 0.197 802 D C 1.860 178.145 176.300 -0.024 0.000 0.984 802 D CA 1.128 55.127 54.000 -0.002 0.000 0.826 802 D CB -0.322 40.475 40.800 -0.005 0.000 0.973 802 D HN 0.504 nan 8.370 nan 0.000 0.460 803 I N 0.329 120.859 120.570 -0.067 0.000 2.099 803 I HA -0.250 3.920 4.170 -0.001 0.000 0.239 803 I C 2.422 178.515 176.117 -0.040 0.000 1.066 803 I CA 0.684 61.919 61.300 -0.107 0.000 1.324 803 I CB -0.207 37.643 38.000 -0.251 0.000 1.037 803 I HN -0.048 nan 8.210 nan 0.000 0.401 804 I N 0.914 121.478 120.570 -0.010 0.000 2.264 804 I HA -0.307 3.862 4.170 -0.001 0.000 0.248 804 I C 2.417 178.577 176.117 0.072 0.000 1.111 804 I CA 1.821 63.197 61.300 0.126 0.000 1.382 804 I CB -0.312 37.788 38.000 0.166 0.000 1.060 804 I HN 0.084 nan 8.210 nan 0.000 0.418 805 K N 0.066 120.485 120.400 0.032 0.000 2.026 805 K HA -0.249 4.070 4.320 -0.001 0.000 0.208 805 K C 2.181 178.784 176.600 0.005 0.000 1.048 805 K CA 1.574 57.867 56.287 0.011 0.000 0.929 805 K CB -0.270 32.236 32.500 0.011 0.000 0.713 805 K HN 0.102 nan 8.250 nan 0.000 0.439 806 K N 1.635 122.040 120.400 0.007 0.000 2.063 806 K HA -0.118 4.201 4.320 -0.001 0.000 0.208 806 K C 1.826 178.434 176.600 0.014 0.000 1.048 806 K CA 1.797 58.085 56.287 0.002 0.000 0.928 806 K CB -0.561 31.936 32.500 -0.005 0.000 0.713 806 K HN 0.114 nan 8.250 nan 0.000 0.442 807 A N 0.826 123.673 122.820 0.044 0.000 1.908 807 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 807 A C 2.297 179.897 177.584 0.028 0.000 1.181 807 A CA 2.128 54.206 52.037 0.068 0.000 0.627 807 A CB -0.574 18.529 19.000 0.171 0.000 0.818 807 A HN 0.449 nan 8.150 nan 0.000 0.445 808 M N -0.861 118.747 119.600 0.013 0.000 2.149 808 M HA -0.117 4.362 4.480 -0.001 0.000 0.261 808 M C 2.071 178.354 176.300 -0.028 0.000 1.064 808 M CA 1.537 56.825 55.300 -0.021 0.000 1.102 808 M CB -0.534 32.039 32.600 -0.046 0.000 1.369 808 M HN 0.411 nan 8.290 nan 0.000 0.408 809 I N -0.209 120.347 120.570 -0.023 0.000 2.277 809 I HA -0.233 3.936 4.170 -0.001 0.000 0.243 809 I C 1.769 177.872 176.117 -0.024 0.000 1.094 809 I CA 0.994 62.278 61.300 -0.027 0.000 1.393 809 I CB -0.503 37.482 38.000 -0.026 0.000 1.078 809 I HN 0.188 nan 8.210 nan 0.000 0.417 810 D N 0.897 121.287 120.400 -0.016 0.000 2.123 810 D HA -0.194 4.445 4.640 -0.001 0.000 0.196 810 D C 1.950 178.235 176.300 -0.026 0.000 0.992 810 D CA 1.220 55.209 54.000 -0.017 0.000 0.833 810 D CB -0.227 40.568 40.800 -0.007 0.000 0.954 810 D HN 0.145 nan 8.370 nan 0.000 0.455 811 L N 0.798 122.005 121.223 -0.027 0.000 2.072 811 L HA -0.074 4.265 4.340 -0.001 0.000 0.205 811 L C 1.711 178.554 176.870 -0.045 0.000 1.079 811 L CA 1.571 56.386 54.840 -0.041 0.000 0.752 811 L CB -0.864 41.169 42.059 -0.043 0.000 0.906 811 L HN -0.071 nan 8.230 nan 0.000 0.436 812 N N -0.250 118.427 118.700 -0.038 0.000 2.137 812 N HA -0.230 4.509 4.740 -0.001 0.000 0.190 812 N C 1.776 177.265 175.510 -0.035 0.000 1.017 812 N CA 1.768 54.797 53.050 -0.035 0.000 0.859 812 N CB -0.206 38.261 38.487 -0.033 0.000 1.002 812 N HN 0.523 nan 8.380 nan 0.000 0.428 813 A N 0.845 123.644 122.820 -0.035 0.000 1.835 813 A HA -0.118 4.201 4.320 -0.001 0.000 0.215 813 A C 2.204 179.764 177.584 -0.040 0.000 1.199 813 A CA 1.463 53.480 52.037 -0.034 0.000 0.615 813 A CB -0.705 18.276 19.000 -0.032 0.000 0.838 813 A HN 0.361 nan 8.150 nan 0.000 0.444 814 R N -0.566 119.906 120.500 -0.045 0.000 2.117 814 R HA -0.155 4.184 4.340 -0.001 0.000 0.243 814 R C 2.105 178.367 176.300 -0.064 0.000 1.143 814 R CA 1.579 57.646 56.100 -0.055 0.000 0.968 814 R CB -0.678 29.585 30.300 -0.062 0.000 0.863 814 R HN 0.549 nan 8.270 nan 0.000 0.444 815 L N 0.675 121.859 121.223 -0.065 0.000 1.994 815 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 815 L C 2.389 179.225 176.870 -0.057 0.000 1.071 815 L CA 1.538 56.336 54.840 -0.071 0.000 0.745 815 L CB -0.400 41.621 42.059 -0.063 0.000 0.892 815 L HN 0.129 nan 8.230 nan 0.000 0.431 816 K N -0.364 120.012 120.400 -0.040 0.000 2.211 816 K HA -0.212 4.108 4.320 -0.001 0.000 0.203 816 K C 1.937 178.515 176.600 -0.037 0.000 1.050 816 K CA 1.027 57.295 56.287 -0.032 0.000 0.945 816 K CB -0.009 32.477 32.500 -0.023 0.000 0.732 816 K HN 0.161 nan 8.250 nan 0.000 0.451 817 E N 1.827 122.002 120.200 -0.042 0.000 2.012 817 E HA -0.201 4.149 4.350 -0.001 0.000 0.197 817 E C 1.027 177.599 176.600 -0.046 0.000 1.007 817 E CA 1.605 57.980 56.400 -0.041 0.000 0.816 817 E CB 0.014 29.688 29.700 -0.043 0.000 0.762 817 E HN 0.100 nan 8.360 nan 0.000 0.451 818 E N 0.190 120.355 120.200 -0.057 0.000 2.505 818 E HA 0.035 4.384 4.350 -0.001 0.000 0.197 818 E C -0.159 176.402 176.600 -0.065 0.000 1.111 818 E CA 0.146 56.508 56.400 -0.064 0.000 0.887 818 E CB 0.018 29.670 29.700 -0.080 0.000 0.913 818 E HN 0.169 nan 8.360 nan 0.000 0.517 819 R N -0.961 119.506 120.500 -0.055 0.000 3.946 819 R HA -0.228 4.111 4.340 -0.001 0.000 0.329 819 R C -0.192 176.068 176.300 -0.067 0.000 1.209 819 R CA 0.473 56.543 56.100 -0.050 0.000 0.909 819 R CB -2.869 27.404 30.300 -0.044 0.000 1.355 819 R HN 0.308 nan 8.270 nan 0.000 0.539 820 L N 0.617 121.788 121.223 -0.087 0.000 2.482 820 L HA -0.057 4.282 4.340 -0.001 0.000 0.273 820 L C 2.014 178.812 176.870 -0.120 0.000 1.228 820 L CA 0.642 55.407 54.840 -0.124 0.000 0.827 820 L CB 0.174 42.146 42.059 -0.146 0.000 1.099 820 L HN 0.157 nan 8.230 nan 0.000 0.494 821 Q N 1.022 120.711 119.800 -0.185 0.000 2.356 821 Q HA 0.190 4.529 4.340 -0.001 0.000 0.205 821 Q C 0.395 176.238 176.000 -0.261 0.000 0.901 821 Q CA -0.232 55.462 55.803 -0.183 0.000 0.938 821 Q CB 0.675 29.270 28.738 -0.238 0.000 1.081 821 Q HN 0.784 nan 8.270 nan 0.000 0.517 822 A N 1.949 124.600 122.820 -0.282 0.000 2.540 822 A HA 0.060 4.379 4.320 -0.001 0.000 0.239 822 A C -0.360 177.197 177.584 -0.044 0.000 1.061 822 A CA 0.380 52.272 52.037 -0.242 0.000 0.758 822 A CB -0.290 18.571 19.000 -0.232 0.000 0.991 822 A HN 0.473 nan 8.150 nan 0.000 0.502 823 H N 0.293 119.364 119.070 0.002 0.000 2.974 823 H HA 0.587 5.142 4.556 -0.001 0.000 0.366 823 H C -1.213 174.120 175.328 0.008 0.000 1.155 823 H CA -1.388 54.670 56.048 0.016 0.000 1.186 823 H CB 0.680 30.477 29.762 0.059 0.000 1.799 823 H HN 0.500 nan 8.280 nan 0.000 0.541 824 L N 2.822 124.100 121.223 0.091 0.000 2.483 824 L HA -0.024 4.315 4.340 -0.001 0.000 0.276 824 L C 0.616 177.435 176.870 -0.086 0.000 1.213 824 L CA -0.001 54.834 54.840 -0.008 0.000 0.843 824 L CB 0.603 42.623 42.059 -0.064 0.000 1.107 824 L HN 0.692 nan 8.230 nan 0.000 0.487 825 L N 2.429 123.600 121.223 -0.087 0.000 2.666 825 L HA 0.343 4.682 4.340 -0.001 0.000 0.184 825 L C -0.104 176.703 176.870 -0.105 0.000 1.092 825 L CA 0.103 54.874 54.840 -0.116 0.000 0.857 825 L CB 0.450 42.444 42.059 -0.108 0.000 1.281 825 L HN 0.400 nan 8.230 nan 0.000 0.489 826 L N -0.540 120.590 121.223 -0.155 0.000 2.359 826 L HA 0.530 4.869 4.340 -0.001 0.000 0.256 826 L C -1.041 175.703 176.870 -0.211 0.000 1.026 826 L CA -0.556 54.206 54.840 -0.131 0.000 0.828 826 L CB 2.103 44.069 42.059 -0.156 0.000 1.406 826 L HN -0.027 nan 8.230 nan 0.000 0.413 827 Q N 1.127 120.775 119.800 -0.253 0.000 2.347 827 Q HA 0.477 4.817 4.340 -0.001 0.000 0.271 827 Q C -1.789 174.158 176.000 -0.088 0.000 1.064 827 Q CA -0.430 55.251 55.803 -0.204 0.000 0.800 827 Q CB 2.892 31.432 28.738 -0.330 0.000 1.304 827 Q HN 0.517 nan 8.270 nan 0.000 0.438 828 V N 5.287 125.171 119.914 -0.050 0.000 2.572 828 V HA 0.214 4.333 4.120 -0.001 0.000 0.274 828 V C -0.003 176.071 176.094 -0.034 0.000 1.075 828 V CA -0.057 62.208 62.300 -0.059 0.000 1.237 828 V CB -0.737 31.159 31.823 0.122 0.000 1.517 828 V HN 1.088 nan 8.190 nan 0.000 0.616 829 H N 0.813 119.952 119.070 0.115 0.000 4.836 829 H HA -0.247 4.308 4.556 -0.001 0.000 0.067 829 H C 1.391 176.788 175.328 0.116 0.000 0.594 829 H CA 1.970 58.078 56.048 0.101 0.000 0.978 829 H CB -0.716 29.101 29.762 0.092 0.000 0.436 829 H HN 0.708 nan 8.280 nan 0.000 0.790 830 D N 1.272 121.829 120.400 0.261 0.000 2.500 830 D HA 0.075 4.714 4.640 -0.001 0.000 0.217 830 D C 0.327 176.789 176.300 0.270 0.000 1.159 830 D CA 0.626 54.808 54.000 0.303 0.000 0.828 830 D CB 0.296 41.267 40.800 0.286 0.000 1.039 830 D HN 0.745 nan 8.370 nan 0.000 0.512 831 E N 0.446 120.739 120.200 0.155 0.000 2.299 831 E HA 0.606 4.956 4.350 -0.001 0.000 0.265 831 E C -1.034 175.584 176.600 0.029 0.000 0.911 831 E CA -1.065 55.379 56.400 0.073 0.000 0.789 831 E CB 2.241 32.003 29.700 0.103 0.000 1.246 831 E HN -0.024 nan 8.360 nan 0.000 0.427 832 L N 2.449 123.672 121.223 -0.000 0.000 2.381 832 L HA 0.533 4.872 4.340 -0.001 0.000 0.274 832 L C -0.613 176.264 176.870 0.011 0.000 0.988 832 L CA -0.810 54.021 54.840 -0.014 0.000 0.824 832 L CB 1.637 43.689 42.059 -0.012 0.000 1.263 832 L HN 0.539 nan 8.230 nan 0.000 0.410 833 I N 4.877 125.422 120.570 -0.042 0.000 2.441 833 I HA 0.562 4.731 4.170 -0.001 0.000 0.295 833 I C -0.448 175.657 176.117 -0.020 0.000 0.994 833 I CA -0.617 60.646 61.300 -0.062 0.000 1.144 833 I CB 1.726 39.561 38.000 -0.274 0.000 1.314 833 I HN 0.453 nan 8.210 nan 0.000 0.445 834 L N 3.485 124.758 121.223 0.083 0.000 2.491 834 L HA 0.754 5.093 4.340 -0.001 0.000 0.254 834 L C -1.229 175.749 176.870 0.180 0.000 1.048 834 L CA -0.913 54.003 54.840 0.126 0.000 0.855 834 L CB 2.125 44.255 42.059 0.118 0.000 1.466 834 L HN 0.615 nan 8.230 nan 0.000 0.409 835 E N 0.865 121.205 120.200 0.233 0.000 2.266 835 E HA 0.898 5.248 4.350 -0.001 0.000 0.268 835 E C -1.394 175.280 176.600 0.124 0.000 0.879 835 E CA -0.911 55.644 56.400 0.257 0.000 0.762 835 E CB 2.665 32.587 29.700 0.369 0.000 1.199 835 E HN 1.008 nan 8.360 nan 0.000 0.422 836 A N 2.812 125.607 122.820 -0.042 0.000 2.608 836 A HA 0.601 4.920 4.320 -0.001 0.000 0.292 836 A C -2.964 174.141 177.584 -0.799 0.000 1.066 836 A CA -1.479 50.210 52.037 -0.579 0.000 0.676 836 A CB 1.402 20.144 19.000 -0.431 0.000 1.277 836 A HN 0.524 nan 8.150 nan 0.000 0.413 837 P HA 0.165 nan 4.420 nan 0.000 0.269 837 P C 0.476 177.497 177.300 -0.464 0.000 1.209 837 P CA -0.031 62.480 63.100 -0.981 0.000 0.776 837 P CB 0.567 31.738 31.700 -0.882 0.000 0.876 838 K N 1.967 122.201 120.400 -0.277 0.000 2.127 838 K HA -0.256 4.063 4.320 -0.001 0.000 0.208 838 K C 1.503 177.975 176.600 -0.213 0.000 1.047 838 K CA 2.001 58.175 56.287 -0.189 0.000 0.927 838 K CB -0.197 32.246 32.500 -0.094 0.000 0.716 838 K HN 0.592 nan 8.250 nan 0.000 0.450 839 E N 0.599 120.672 120.200 -0.212 0.000 2.209 839 E HA -0.188 4.161 4.350 -0.001 0.000 0.196 839 E C 1.506 177.977 176.600 -0.214 0.000 0.993 839 E CA 0.970 57.258 56.400 -0.186 0.000 0.819 839 E CB -0.041 29.558 29.700 -0.168 0.000 0.745 839 E HN 0.398 nan 8.360 nan 0.000 0.477 840 E N 0.038 120.071 120.200 -0.278 0.000 2.442 840 E HA 0.004 4.353 4.350 -0.001 0.000 0.195 840 E C 1.811 178.229 176.600 -0.303 0.000 1.030 840 E CA 0.041 56.268 56.400 -0.288 0.000 0.869 840 E CB 0.104 29.598 29.700 -0.344 0.000 0.857 840 E HN 0.266 nan 8.360 nan 0.000 0.505 841 M N 1.017 120.428 119.600 -0.315 0.000 2.082 841 M HA -0.194 4.285 4.480 -0.001 0.000 0.258 841 M C 1.897 178.034 176.300 -0.273 0.000 1.069 841 M CA 1.495 56.583 55.300 -0.353 0.000 1.102 841 M CB -0.839 31.469 32.600 -0.486 0.000 1.336 841 M HN 0.042 nan 8.290 nan 0.000 0.404 842 E N -0.124 119.952 120.200 -0.207 0.000 2.013 842 E HA -0.234 4.115 4.350 -0.001 0.000 0.202 842 E C 2.083 178.594 176.600 -0.147 0.000 1.018 842 E CA 1.478 57.797 56.400 -0.135 0.000 0.834 842 E CB -0.610 29.028 29.700 -0.103 0.000 0.770 842 E HN 0.488 nan 8.360 nan 0.000 0.459 843 R N 0.376 120.776 120.500 -0.167 0.000 2.096 843 R HA -0.139 4.201 4.340 -0.001 0.000 0.235 843 R C 2.457 178.615 176.300 -0.237 0.000 1.127 843 R CA 0.893 56.891 56.100 -0.171 0.000 0.968 843 R CB -0.317 29.886 30.300 -0.161 0.000 0.861 843 R HN 0.057 nan 8.270 nan 0.000 0.440 844 L N 0.340 121.370 121.223 -0.322 0.000 2.265 844 L HA -0.182 4.157 4.340 -0.001 0.000 0.215 844 L C 1.974 178.508 176.870 -0.561 0.000 1.117 844 L CA 1.375 55.915 54.840 -0.500 0.000 0.782 844 L CB -0.426 41.246 42.059 -0.644 0.000 0.914 844 L HN 0.346 nan 8.230 nan 0.000 0.441 845 C N -1.689 117.414 119.300 -0.327 0.000 2.448 845 C HA -0.038 4.421 4.460 -0.001 0.000 0.280 845 C C 2.870 177.697 174.990 -0.270 0.000 1.398 845 C CA 0.454 59.359 59.018 -0.188 0.000 1.774 845 C CB -0.810 26.960 27.740 0.050 0.000 1.888 845 C HN 0.497 nan 8.230 nan 0.000 0.519 846 R N -0.376 120.000 120.500 -0.208 0.000 2.167 846 R HA 0.097 4.437 4.340 -0.001 0.000 0.201 846 R C 2.045 178.239 176.300 -0.176 0.000 1.024 846 R CA 0.304 56.310 56.100 -0.157 0.000 1.053 846 R CB -0.214 30.030 30.300 -0.095 0.000 0.987 846 R HN 0.385 nan 8.270 nan 0.000 0.493 847 L N 0.803 121.904 121.223 -0.205 0.000 1.976 847 L HA -0.116 4.223 4.340 -0.001 0.000 0.209 847 L C 1.882 178.643 176.870 -0.181 0.000 1.071 847 L CA 1.761 56.492 54.840 -0.182 0.000 0.746 847 L CB -0.652 41.288 42.059 -0.199 0.000 0.890 847 L HN -0.075 nan 8.230 nan 0.000 0.432 848 V N 1.396 121.165 119.914 -0.243 0.000 2.220 848 V HA -0.200 3.919 4.120 -0.001 0.000 0.246 848 V C -0.121 175.896 176.094 -0.128 0.000 1.049 848 V CA 2.489 64.689 62.300 -0.167 0.000 1.003 848 V CB -2.398 29.353 31.823 -0.121 0.000 0.634 848 V HN 0.430 nan 8.190 nan 0.000 0.444 849 P HA -0.221 nan 4.420 nan 0.000 0.217 849 P C 1.463 178.731 177.300 -0.054 0.000 1.148 849 P CA 2.143 65.165 63.100 -0.129 0.000 0.828 849 P CB -0.067 31.499 31.700 -0.224 0.000 0.783 850 E N -0.415 119.744 120.200 -0.067 0.000 2.158 850 E HA -0.046 4.303 4.350 -0.001 0.000 0.191 850 E C 1.889 178.482 176.600 -0.011 0.000 0.982 850 E CA 0.549 56.934 56.400 -0.025 0.000 0.823 850 E CB -1.045 28.634 29.700 -0.035 0.000 0.766 850 E HN -0.001 nan 8.360 nan 0.000 0.468 851 V N 1.289 121.185 119.914 -0.029 0.000 2.323 851 V HA -0.204 3.915 4.120 -0.001 0.000 0.244 851 V C 2.454 178.566 176.094 0.031 0.000 1.041 851 V CA 1.966 64.259 62.300 -0.012 0.000 1.025 851 V CB -0.447 31.356 31.823 -0.035 0.000 0.656 851 V HN 0.315 nan 8.190 nan 0.000 0.451 852 M N -0.427 119.188 119.600 0.026 0.000 2.086 852 M HA -0.211 4.268 4.480 -0.001 0.000 0.261 852 M C 2.188 178.649 176.300 0.269 0.000 1.067 852 M CA 1.951 57.315 55.300 0.108 0.000 1.116 852 M CB -0.578 31.921 32.600 -0.168 0.000 1.348 852 M HN 0.337 nan 8.290 nan 0.000 0.407 853 E N -0.101 120.198 120.200 0.166 0.000 2.153 853 E HA -0.164 4.185 4.350 -0.001 0.000 0.194 853 E C 1.569 178.239 176.600 0.117 0.000 0.988 853 E CA 0.752 57.265 56.400 0.188 0.000 0.811 853 E CB 0.053 29.822 29.700 0.115 0.000 0.746 853 E HN 0.445 nan 8.360 nan 0.000 0.466 854 Q N -0.671 119.174 119.800 0.075 0.000 2.222 854 Q HA 0.219 4.559 4.340 -0.001 0.000 0.206 854 Q C 1.463 177.481 176.000 0.030 0.000 0.877 854 Q CA 0.131 55.957 55.803 0.039 0.000 0.958 854 Q CB 0.923 29.674 28.738 0.022 0.000 1.075 854 Q HN 0.198 nan 8.270 nan 0.000 0.483 855 A N 0.761 123.614 122.820 0.054 0.000 1.948 855 A HA -0.056 4.263 4.320 -0.001 0.000 0.220 855 A C 1.313 178.891 177.584 -0.010 0.000 1.177 855 A CA 1.866 53.923 52.037 0.033 0.000 0.636 855 A CB -0.083 18.957 19.000 0.066 0.000 0.815 855 A HN 0.250 nan 8.150 nan 0.000 0.449 856 V N -5.942 113.952 119.914 -0.033 0.000 3.202 856 V HA 0.721 4.841 4.120 -0.001 0.000 0.306 856 V C -0.640 175.419 176.094 -0.058 0.000 1.283 856 V CA -0.539 61.724 62.300 -0.060 0.000 1.065 856 V CB 1.611 33.367 31.823 -0.111 0.000 1.079 856 V HN -0.044 nan 8.190 nan 0.000 0.448 857 T N 2.986 117.503 114.554 -0.062 0.000 2.864 857 T HA 0.686 5.036 4.350 -0.001 0.000 0.310 857 T C -0.416 174.246 174.700 -0.063 0.000 1.040 857 T CA -0.185 61.891 62.100 -0.039 0.000 0.977 857 T CB 0.395 69.260 68.868 -0.006 0.000 0.976 857 T HN 0.614 nan 8.240 nan 0.000 0.459 858 L N 2.182 123.358 121.223 -0.079 0.000 2.331 858 L HA 0.548 4.887 4.340 -0.001 0.000 0.268 858 L C 1.751 178.707 176.870 0.144 0.000 1.015 858 L CA -1.190 53.613 54.840 -0.063 0.000 0.807 858 L CB 1.104 43.034 42.059 -0.214 0.000 1.293 858 L HN 0.506 nan 8.230 nan 0.000 0.451 859 R N 0.094 120.824 120.500 0.383 0.000 2.341 859 R HA -0.032 4.307 4.340 -0.001 0.000 0.213 859 R C -0.193 176.165 176.300 0.097 0.000 1.082 859 R CA 0.543 56.742 56.100 0.164 0.000 1.017 859 R CB -0.460 29.874 30.300 0.057 0.000 0.860 859 R HN 0.508 nan 8.270 nan 0.000 0.473 860 V N -2.639 117.323 119.914 0.079 0.000 3.007 860 V HA 0.493 4.612 4.120 -0.001 0.000 0.311 860 V C -2.612 173.495 176.094 0.023 0.000 1.120 860 V CA -3.021 59.311 62.300 0.053 0.000 0.980 860 V CB 2.343 34.190 31.823 0.041 0.000 1.033 860 V HN -0.164 nan 8.190 nan 0.000 0.429 861 P HA 0.307 nan 4.420 nan 0.000 0.270 861 P C -0.962 176.357 177.300 0.031 0.000 1.223 861 P CA -0.133 62.995 63.100 0.046 0.000 0.785 861 P CB 1.043 32.785 31.700 0.072 0.000 0.923 862 L N 1.941 123.192 121.223 0.047 0.000 2.298 862 L HA 0.393 4.733 4.340 -0.001 0.000 0.284 862 L C 0.761 177.715 176.870 0.140 0.000 1.013 862 L CA -0.601 54.283 54.840 0.074 0.000 0.824 862 L CB 1.369 43.477 42.059 0.080 0.000 1.221 862 L HN 0.345 nan 8.230 nan 0.000 0.418 863 K N 3.135 123.628 120.400 0.154 0.000 2.240 863 K HA 0.511 4.830 4.320 -0.001 0.000 0.271 863 K C -1.178 175.525 176.600 0.170 0.000 1.018 863 K CA -0.508 55.868 56.287 0.150 0.000 0.874 863 K CB 1.552 34.131 32.500 0.132 0.000 1.098 863 K HN 0.294 nan 8.250 nan 0.000 0.458 864 V N 4.938 124.934 119.914 0.138 0.000 2.370 864 V HA 0.187 4.306 4.120 -0.001 0.000 0.283 864 V C -0.388 175.778 176.094 0.120 0.000 1.023 864 V CA -0.845 61.500 62.300 0.074 0.000 0.857 864 V CB 1.506 33.308 31.823 -0.034 0.000 0.985 864 V HN 0.803 nan 8.190 nan 0.000 0.443 865 D N 4.284 124.704 120.400 0.033 0.000 2.193 865 D HA 0.575 5.214 4.640 -0.001 0.000 0.249 865 D C -0.863 175.358 176.300 -0.132 0.000 1.034 865 D CA 0.129 54.057 54.000 -0.121 0.000 0.902 865 D CB 2.123 42.859 40.800 -0.106 0.000 1.182 865 D HN 0.602 nan 8.370 nan 0.000 0.436 866 Y N -1.974 118.076 120.300 -0.418 0.000 2.581 866 Y HA 0.552 5.102 4.550 -0.001 0.000 0.337 866 Y C -1.045 174.359 175.900 -0.827 0.000 1.108 866 Y CA -0.999 56.782 58.100 -0.532 0.000 1.033 866 Y CB 1.510 39.770 38.460 -0.334 0.000 1.318 866 Y HN 0.298 nan 8.280 nan 0.000 0.459 867 H N 0.956 119.868 119.070 -0.263 0.000 2.990 867 H HA 0.491 5.047 4.556 -0.001 0.000 0.343 867 H C -1.782 173.422 175.328 -0.208 0.000 1.270 867 H CA -0.936 54.987 56.048 -0.208 0.000 1.118 867 H CB 2.694 32.337 29.762 -0.198 0.000 1.861 867 H HN 0.869 nan 8.280 nan 0.000 0.544 868 Y N -1.313 119.048 120.300 0.101 0.000 2.513 868 Y HA 0.701 5.250 4.550 -0.001 0.000 0.340 868 Y C -0.587 175.401 175.900 0.146 0.000 1.055 868 Y CA -0.805 57.394 58.100 0.164 0.000 1.020 868 Y CB 1.562 40.228 38.460 0.345 0.000 1.301 868 Y HN 0.850 nan 8.280 nan 0.000 0.453 869 G N 0.462 109.437 108.800 0.292 0.000 2.749 869 G HA2 0.414 4.373 3.960 -0.001 0.000 0.300 869 G HA3 0.414 4.373 3.960 -0.001 0.000 0.300 869 G C -0.642 174.414 174.900 0.260 0.000 1.352 869 G CA -0.669 44.539 45.100 0.180 0.000 0.789 869 G HN 0.619 nan 8.290 nan 0.000 0.509 870 S N -0.924 114.897 115.700 0.201 0.000 2.461 870 S HA 0.190 4.659 4.470 -0.001 0.000 0.228 870 S C 1.172 175.899 174.600 0.211 0.000 1.005 870 S CA 1.246 59.565 58.200 0.198 0.000 0.942 870 S CB -0.178 63.116 63.200 0.156 0.000 0.776 870 S HN 1.214 nan 8.310 nan 0.000 0.514 871 T N -3.512 111.185 114.554 0.238 0.000 2.754 871 T HA 0.348 4.697 4.350 -0.001 0.000 0.296 871 T C -0.200 174.726 174.700 0.377 0.000 1.205 871 T CA -0.791 61.484 62.100 0.292 0.000 1.009 871 T CB 0.618 69.654 68.868 0.280 0.000 1.368 871 T HN 0.114 nan 8.240 nan 0.000 0.509 872 W N 0.337 121.765 121.300 0.213 0.000 2.402 872 W HA -0.010 4.649 4.660 -0.001 0.000 0.286 872 W C 1.863 178.479 176.519 0.162 0.000 1.221 872 W CA 0.784 58.234 57.345 0.175 0.000 1.257 872 W CB -1.084 28.489 29.460 0.188 0.000 1.120 872 W HN 0.857 nan 8.180 nan 0.000 0.551 873 Y N 1.442 121.841 120.300 0.165 0.000 2.256 873 Y HA -0.218 4.331 4.550 -0.001 0.000 0.288 873 Y C 1.782 177.669 175.900 -0.022 0.000 1.155 873 Y CA 2.530 60.615 58.100 -0.025 0.000 1.203 873 Y CB -0.443 38.014 38.460 -0.004 0.000 0.980 873 Y HN -0.067 nan 8.280 nan 0.000 0.530 874 D N -0.233 120.189 120.400 0.036 0.000 2.349 874 D HA 0.155 4.794 4.640 -0.001 0.000 0.214 874 D C 0.785 177.034 176.300 -0.085 0.000 1.063 874 D CA 0.609 54.557 54.000 -0.086 0.000 0.847 874 D CB 0.115 40.941 40.800 0.043 0.000 0.933 874 D HN 0.329 nan 8.370 nan 0.000 0.513 875 A N 2.013 124.843 122.820 0.017 0.000 3.033 875 A HA 0.097 4.416 4.320 -0.001 0.000 0.250 875 A C 0.691 178.238 177.584 -0.062 0.000 1.633 875 A CA -0.075 51.990 52.037 0.048 0.000 1.290 875 A CB -0.697 18.422 19.000 0.199 0.000 1.048 875 A HN 0.195 nan 8.150 nan 0.000 0.648 876 K N 0.000 120.218 120.400 -0.304 0.000 2.780 876 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 876 K CA 0.000 55.918 56.287 -0.616 0.000 0.838 876 K CB 0.000 32.239 32.500 -0.436 0.000 1.064 876 K HN 0.000 nan 8.250 nan 0.000 0.543