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 1nk0_1_A DATA FIRST_RESID 297 DATA SEQUENCE AKMAFTLADR VTEEMLADKA ALVVEVVEEN YHDAPIVGIA VVNEHGRFFL DATA SEQUENCE RPETALADPQ FVAWLGDETK KKSMFDSKRA AVALKWKGIE LCGVSFDLLL DATA SEQUENCE AAYLLDPAQG VDDVAAAAKM KQYEAVRPDE AVYGKGAKRA VPDEPVLAEH DATA SEQUENCE LVRKAAAIWE LERPFLDELR RNEQDRLLVE LEQPLSSILA EMEFAGVKVD DATA SEQUENCE TKRLEQMGKE LAEQLGTVEQ RIYELAGQEF NINSPKQLGV ILFEKLQLPV DATA SEQUENCE LKKTKTGYST SADVLEKLAP YHEIVENILH YRQLGKLQST YIEGLLKVVR DATA SEQUENCE PDTKKVHTIF NQALTQTGRL SSTEPNLQNI PIRLEEGRKI RQAFVPSESD DATA SEQUENCE WLIFAADYSQ IELRVLAHIA EDDNLMEAFR RDLDIHTKTA MDIFQVSEDE DATA SEQUENCE VTPNMRRQAK AVNFGIVYGI SDYGLAQNLN ISRKEAAEFI ERYFESFPGV DATA SEQUENCE KRYMENIVQE AKQKGYVTTL LHRRRYLPDI TSRNFNVRSF AERMAMNTPI DATA SEQUENCE QGSAADIIKK AMIDLNARLK EERLQAHLLL QVHDELILEA PKEEMERLCR DATA SEQUENCE LVPEVMEQAV TLRVPLKVDY HYGSTWYDAK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 297 A HA 0.000 nan 4.320 nan 0.000 0.244 297 A C 0.000 177.587 177.584 0.006 0.000 1.274 297 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 297 A CB 0.000 18.994 19.000 -0.009 0.000 0.831 298 K N 0.069 120.474 120.400 0.008 0.000 2.542 298 K HA 0.436 4.754 4.320 -0.003 0.000 0.276 298 K C 0.122 176.748 176.600 0.043 0.000 0.963 298 K CA 1.213 57.517 56.287 0.028 0.000 0.975 298 K CB -0.082 32.427 32.500 0.014 0.000 0.901 298 K HN 0.976 nan 8.250 nan 0.000 0.506 299 M N 1.927 121.584 119.600 0.094 0.000 2.238 299 M HA 0.533 5.011 4.480 -0.003 0.000 0.350 299 M C 0.250 176.649 176.300 0.165 0.000 1.138 299 M CA -0.503 54.868 55.300 0.119 0.000 1.040 299 M CB 1.448 34.130 32.600 0.137 0.000 1.639 299 M HN 0.825 nan 8.290 nan 0.000 0.451 300 A N 5.120 127.983 122.820 0.072 0.000 2.425 300 A HA 0.613 4.931 4.320 -0.003 0.000 0.249 300 A C -0.838 176.801 177.584 0.092 0.000 1.084 300 A CA -0.107 51.924 52.037 -0.010 0.000 0.781 300 A CB -0.225 18.746 19.000 -0.049 0.000 1.019 300 A HN 0.920 nan 8.150 nan 0.000 0.490 301 F N -1.327 118.563 119.950 -0.099 0.000 2.744 301 F HA 0.576 5.100 4.527 -0.006 0.000 0.311 301 F C -0.691 175.048 175.800 -0.101 0.000 1.144 301 F CA -0.795 57.120 58.000 -0.140 0.000 0.938 301 F CB 0.766 39.711 39.000 -0.090 0.000 1.292 301 F HN 0.315 nan 8.300 nan 0.000 0.444 302 T N 3.103 117.712 114.554 0.092 0.000 2.744 302 T HA 0.450 4.798 4.350 -0.003 0.000 0.291 302 T C -0.663 174.247 174.700 0.350 0.000 0.957 302 T CA -0.257 61.902 62.100 0.099 0.000 1.002 302 T CB 1.086 70.030 68.868 0.127 0.000 0.919 302 T HN 0.702 nan 8.240 nan 0.000 0.468 303 L N 4.672 126.036 121.223 0.235 0.000 2.375 303 L HA 0.532 4.870 4.340 -0.003 0.000 0.276 303 L C 0.560 177.576 176.870 0.243 0.000 1.162 303 L CA -0.187 54.874 54.840 0.368 0.000 0.991 303 L CB -0.842 41.360 42.059 0.239 0.000 1.315 303 L HN 0.744 nan 8.230 nan 0.000 0.431 304 A N 2.693 125.658 122.820 0.241 0.000 2.425 304 A HA 0.215 4.532 4.320 -0.003 0.000 0.249 304 A C 0.730 178.349 177.584 0.058 0.000 1.084 304 A CA -0.211 51.899 52.037 0.121 0.000 0.781 304 A CB 0.151 19.198 19.000 0.079 0.000 1.019 304 A HN 0.725 nan 8.150 nan 0.000 0.490 305 D N 0.296 120.712 120.400 0.027 0.000 2.367 305 D HA 0.085 4.723 4.640 -0.003 0.000 0.207 305 D C 0.675 176.953 176.300 -0.035 0.000 1.034 305 D CA 0.689 54.691 54.000 0.005 0.000 0.861 305 D CB 0.318 41.125 40.800 0.012 0.000 0.943 305 D HN 0.768 nan 8.370 nan 0.000 0.515 306 R N -0.970 119.498 120.500 -0.053 0.000 2.710 306 R HA 0.494 4.832 4.340 -0.003 0.000 0.270 306 R C -1.256 174.970 176.300 -0.122 0.000 1.021 306 R CA -0.771 55.279 56.100 -0.083 0.000 0.889 306 R CB 1.095 31.362 30.300 -0.056 0.000 1.243 306 R HN -0.308 nan 8.270 nan 0.000 0.464 307 V N 1.632 121.457 119.914 -0.147 0.000 2.686 307 V HA 0.360 4.478 4.120 -0.003 0.000 0.295 307 V C 0.394 176.395 176.094 -0.156 0.000 1.055 307 V CA 0.170 62.359 62.300 -0.185 0.000 1.050 307 V CB 1.212 32.945 31.823 -0.151 0.000 0.984 307 V HN 0.976 nan 8.190 nan 0.000 0.482 308 T N -0.194 114.229 114.554 -0.218 0.000 2.916 308 T HA 0.399 4.747 4.350 -0.003 0.000 0.292 308 T C 0.763 175.324 174.700 -0.231 0.000 1.064 308 T CA -0.428 61.556 62.100 -0.194 0.000 1.011 308 T CB 1.941 70.697 68.868 -0.186 0.000 1.152 308 T HN 0.690 nan 8.240 nan 0.000 0.510 309 E N 0.718 120.812 120.200 -0.176 0.000 2.097 309 E HA -0.264 4.084 4.350 -0.003 0.000 0.196 309 E C 1.691 178.157 176.600 -0.224 0.000 1.000 309 E CA 1.974 58.273 56.400 -0.168 0.000 0.804 309 E CB -0.119 29.510 29.700 -0.118 0.000 0.740 309 E HN 0.883 nan 8.360 nan 0.000 0.454 310 E N -0.194 119.838 120.200 -0.280 0.000 2.409 310 E HA -0.176 4.171 4.350 -0.003 0.000 0.198 310 E C 1.811 178.242 176.600 -0.282 0.000 1.024 310 E CA 0.837 57.044 56.400 -0.320 0.000 0.861 310 E CB -0.220 29.239 29.700 -0.401 0.000 0.788 310 E HN 0.387 nan 8.360 nan 0.000 0.521 311 M N 0.589 119.867 119.600 -0.536 0.000 2.595 311 M HA 0.114 4.592 4.480 -0.003 0.000 0.248 311 M C 0.756 176.639 176.300 -0.696 0.000 1.119 311 M CA 0.641 55.495 55.300 -0.744 0.000 1.079 311 M CB 0.318 32.432 32.600 -0.810 0.000 1.472 311 M HN 0.121 nan 8.290 nan 0.000 0.501 312 L N 0.095 120.982 121.223 -0.560 0.000 3.108 312 L HA 0.454 4.792 4.340 -0.003 0.000 0.251 312 L C 0.608 177.379 176.870 -0.165 0.000 1.315 312 L CA -0.816 53.556 54.840 -0.780 0.000 1.048 312 L CB -0.426 41.338 42.059 -0.490 0.000 1.432 312 L HN 0.012 nan 8.230 nan 0.000 0.543 313 A N 0.425 123.246 122.820 0.002 0.000 2.386 313 A HA 0.103 4.421 4.320 -0.003 0.000 0.246 313 A C 0.978 178.774 177.584 0.352 0.000 1.089 313 A CA 0.124 52.282 52.037 0.202 0.000 0.790 313 A CB 0.226 19.334 19.000 0.179 0.000 1.042 313 A HN 0.580 nan 8.150 nan 0.000 0.497 314 D N -0.751 119.807 120.400 0.263 0.000 2.378 314 D HA 0.047 4.685 4.640 -0.003 0.000 0.227 314 D C 0.327 176.757 176.300 0.218 0.000 1.012 314 D CA 0.883 55.021 54.000 0.230 0.000 0.905 314 D CB -0.009 40.876 40.800 0.142 0.000 0.895 314 D HN 0.438 nan 8.370 nan 0.000 0.532 315 K N -0.381 120.186 120.400 0.279 0.000 2.550 315 K HA 0.639 4.957 4.320 -0.003 0.000 0.252 315 K C -2.006 174.858 176.600 0.440 0.000 0.943 315 K CA -0.746 55.728 56.287 0.313 0.000 0.806 315 K CB 1.858 34.519 32.500 0.268 0.000 1.289 315 K HN 0.054 nan 8.250 nan 0.000 0.435 316 A N 1.902 125.015 122.820 0.487 0.000 2.597 316 A HA 0.753 5.071 4.320 -0.003 0.000 0.292 316 A C -1.792 176.067 177.584 0.459 0.000 1.057 316 A CA -0.546 51.755 52.037 0.439 0.000 0.674 316 A CB 1.384 20.593 19.000 0.347 0.000 1.278 316 A HN 0.721 nan 8.150 nan 0.000 0.416 317 A N 0.372 123.426 122.820 0.391 0.000 2.289 317 A HA 0.671 4.989 4.320 -0.003 0.000 0.298 317 A C -0.697 177.037 177.584 0.250 0.000 1.208 317 A CA -0.244 52.007 52.037 0.356 0.000 0.845 317 A CB 0.347 19.570 19.000 0.372 0.000 1.125 317 A HN 1.930 nan 8.150 nan 0.000 0.517 318 L N 3.423 124.790 121.223 0.240 0.000 2.386 318 L HA 0.746 5.084 4.340 -0.003 0.000 0.271 318 L C -1.165 175.804 176.870 0.165 0.000 0.993 318 L CA -0.335 54.646 54.840 0.235 0.000 0.819 318 L CB 2.247 44.479 42.059 0.289 0.000 1.294 318 L HN 0.384 nan 8.230 nan 0.000 0.414 319 V N 5.573 125.572 119.914 0.143 0.000 2.443 319 V HA 0.496 4.614 4.120 -0.003 0.000 0.293 319 V C -0.751 175.403 176.094 0.101 0.000 1.021 319 V CA -0.572 61.789 62.300 0.101 0.000 0.848 319 V CB 1.884 33.744 31.823 0.061 0.000 0.998 319 V HN 0.513 nan 8.190 nan 0.000 0.424 320 V N 4.044 124.010 119.914 0.088 0.000 2.289 320 V HA 0.341 4.459 4.120 -0.003 0.000 0.272 320 V C 0.024 176.151 176.094 0.054 0.000 1.026 320 V CA -0.645 61.700 62.300 0.075 0.000 0.807 320 V CB 1.342 33.208 31.823 0.072 0.000 1.044 320 V HN 0.922 nan 8.190 nan 0.000 0.443 321 E N 3.606 123.844 120.200 0.062 0.000 2.257 321 E HA 0.352 4.700 4.350 -0.003 0.000 0.278 321 E C -0.782 175.836 176.600 0.030 0.000 1.049 321 E CA 0.120 56.559 56.400 0.065 0.000 0.876 321 E CB 1.115 30.885 29.700 0.116 0.000 1.035 321 E HN 0.431 nan 8.360 nan 0.000 0.419 322 V N 6.468 126.389 119.914 0.013 0.000 2.349 322 V HA 0.102 4.219 4.120 -0.003 0.000 0.284 322 V C 0.834 176.901 176.094 -0.046 0.000 1.014 322 V CA -0.548 61.749 62.300 -0.006 0.000 0.826 322 V CB 1.388 33.226 31.823 0.024 0.000 1.009 322 V HN 0.682 nan 8.190 nan 0.000 0.431 323 V N 2.275 122.106 119.914 -0.139 0.000 2.488 323 V HA 0.011 4.129 4.120 -0.003 0.000 0.246 323 V C 1.279 177.283 176.094 -0.150 0.000 1.046 323 V CA 0.963 63.098 62.300 -0.274 0.000 1.053 323 V CB -0.216 31.308 31.823 -0.498 0.000 0.679 323 V HN 0.799 nan 8.190 nan 0.000 0.458 324 E N 0.999 121.145 120.200 -0.090 0.000 2.465 324 E HA -0.042 4.306 4.350 -0.003 0.000 0.260 324 E C 1.229 177.813 176.600 -0.026 0.000 0.980 324 E CA 0.165 56.531 56.400 -0.058 0.000 0.927 324 E CB 0.662 30.330 29.700 -0.053 0.000 0.934 324 E HN 0.499 nan 8.360 nan 0.000 0.459 325 E N 1.895 122.078 120.200 -0.028 0.000 2.058 325 E HA -0.181 4.167 4.350 -0.003 0.000 0.194 325 E C 0.702 177.260 176.600 -0.069 0.000 0.997 325 E CA 0.778 57.169 56.400 -0.015 0.000 0.801 325 E CB 0.076 29.766 29.700 -0.017 0.000 0.746 325 E HN 0.299 nan 8.360 nan 0.000 0.450 326 N N 0.617 119.251 118.700 -0.111 0.000 2.415 326 N HA -0.040 4.698 4.740 -0.003 0.000 0.246 326 N C -0.008 175.383 175.510 -0.198 0.000 1.078 326 N CA -0.050 52.867 53.050 -0.220 0.000 0.942 326 N CB 0.422 38.830 38.487 -0.131 0.000 1.140 326 N HN 0.076 nan 8.380 nan 0.000 0.501 327 Y N 1.377 121.597 120.300 -0.134 0.000 2.529 327 Y HA 0.259 4.807 4.550 -0.003 0.000 0.290 327 Y C 0.354 176.107 175.900 -0.245 0.000 1.177 327 Y CA -0.445 57.555 58.100 -0.167 0.000 1.305 327 Y CB -0.844 37.535 38.460 -0.135 0.000 1.047 327 Y HN 0.380 nan 8.280 nan 0.000 0.522 328 H N 2.822 121.834 119.070 -0.096 0.000 2.975 328 H HA 0.023 4.577 4.556 -0.003 0.000 0.303 328 H C 0.320 175.102 175.328 -0.910 0.000 1.023 328 H CA 0.918 56.736 56.048 -0.383 0.000 1.473 328 H CB 0.437 30.045 29.762 -0.256 0.000 1.498 328 H HN 0.346 nan 8.280 nan 0.000 0.549 329 D N 0.951 120.499 120.400 -1.420 0.000 2.837 329 D HA -0.180 4.458 4.640 -0.003 0.000 0.230 329 D C -0.222 175.861 176.300 -0.362 0.000 1.152 329 D CA 0.879 54.321 54.000 -0.929 0.000 0.736 329 D CB -0.718 39.378 40.800 -1.174 0.000 1.084 329 D HN 0.745 nan 8.370 nan 0.000 0.429 330 A N -0.158 122.529 122.820 -0.222 0.000 2.279 330 A HA 0.709 5.027 4.320 -0.003 0.000 0.303 330 A C -2.162 175.395 177.584 -0.044 0.000 1.108 330 A CA -1.046 50.928 52.037 -0.105 0.000 0.830 330 A CB 0.709 19.673 19.000 -0.060 0.000 1.106 330 A HN 0.102 nan 8.150 nan 0.000 0.493 331 P HA 0.357 nan 4.420 nan 0.000 0.275 331 P C -0.960 176.339 177.300 -0.001 0.000 1.228 331 P CA 0.109 63.202 63.100 -0.011 0.000 0.786 331 P CB 0.471 32.163 31.700 -0.014 0.000 0.927 332 I N 2.523 123.100 120.570 0.012 0.000 2.312 332 I HA 0.067 4.235 4.170 -0.003 0.000 0.290 332 I C 1.419 177.549 176.117 0.021 0.000 1.008 332 I CA -0.500 60.810 61.300 0.018 0.000 1.226 332 I CB 1.603 39.618 38.000 0.024 0.000 1.371 332 I HN 0.196 nan 8.210 nan 0.000 0.468 333 V N 3.044 122.978 119.914 0.033 0.000 3.235 333 V HA 0.512 4.630 4.120 -0.003 0.000 0.259 333 V C 0.700 176.861 176.094 0.112 0.000 1.133 333 V CA 0.667 63.007 62.300 0.066 0.000 1.128 333 V CB -0.273 31.593 31.823 0.072 0.000 0.757 333 V HN 0.804 nan 8.190 nan 0.000 0.469 334 G N -0.625 108.224 108.800 0.081 0.000 2.489 334 G HA2 0.613 4.571 3.960 -0.003 0.000 0.291 334 G HA3 0.613 4.571 3.960 -0.003 0.000 0.291 334 G C -1.790 173.075 174.900 -0.058 0.000 1.487 334 G CA -0.708 44.416 45.100 0.039 0.000 0.795 334 G HN 0.182 nan 8.290 nan 0.000 0.513 335 I N 0.312 120.702 120.570 -0.301 0.000 2.647 335 I HA 0.712 4.880 4.170 -0.003 0.000 0.295 335 I C 0.060 176.060 176.117 -0.195 0.000 1.078 335 I CA -1.010 60.181 61.300 -0.182 0.000 1.048 335 I CB 2.357 40.235 38.000 -0.204 0.000 1.239 335 I HN 0.817 nan 8.210 nan 0.000 0.421 336 A N 5.423 128.243 122.820 -0.001 0.000 2.414 336 A HA 0.883 5.201 4.320 -0.003 0.000 0.306 336 A C -1.404 176.237 177.584 0.095 0.000 1.054 336 A CA -0.527 51.539 52.037 0.049 0.000 0.724 336 A CB 1.862 20.897 19.000 0.059 0.000 1.267 336 A HN 0.386 nan 8.150 nan 0.000 0.418 337 V N 2.159 122.147 119.914 0.123 0.000 2.577 337 V HA 0.556 4.674 4.120 -0.003 0.000 0.303 337 V C -0.776 175.401 176.094 0.139 0.000 1.042 337 V CA -0.509 61.879 62.300 0.147 0.000 0.872 337 V CB 1.747 33.626 31.823 0.095 0.000 0.998 337 V HN 0.715 nan 8.190 nan 0.000 0.423 338 V N 5.580 125.488 119.914 -0.011 0.000 2.483 338 V HA 0.666 4.783 4.120 -0.003 0.000 0.297 338 V C -0.412 175.303 176.094 -0.632 0.000 1.027 338 V CA -0.454 61.688 62.300 -0.264 0.000 0.855 338 V CB 1.802 33.439 31.823 -0.310 0.000 0.995 338 V HN 1.120 nan 8.190 nan 0.000 0.424 339 N N 2.484 120.792 118.700 -0.654 0.000 3.418 339 N HA 0.248 4.986 4.740 -0.003 0.000 0.316 339 N C 0.746 175.905 175.510 -0.586 0.000 1.601 339 N CA -0.356 52.196 53.050 -0.830 0.000 0.805 339 N CB 0.572 38.926 38.487 -0.222 0.000 1.873 339 N HN 0.522 nan 8.380 nan 0.000 0.615 340 E N -1.332 118.694 120.200 -0.290 0.000 2.265 340 E HA -0.216 4.131 4.350 -0.003 0.000 0.196 340 E C 0.192 176.662 176.600 -0.216 0.000 0.996 340 E CA 1.180 57.480 56.400 -0.166 0.000 0.832 340 E CB -0.454 29.146 29.700 -0.168 0.000 0.756 340 E HN 0.537 nan 8.360 nan 0.000 0.491 341 H N 0.324 119.423 119.070 0.050 0.000 2.563 341 H HA 0.353 4.907 4.556 -0.004 0.000 0.264 341 H C 1.119 176.469 175.328 0.038 0.000 0.957 341 H CA 0.858 56.964 56.048 0.098 0.000 1.173 341 H CB 1.135 31.006 29.762 0.182 0.000 1.420 341 H HN 0.373 nan 8.280 nan 0.000 0.551 342 G N 0.461 109.247 108.800 -0.023 0.000 2.320 342 G HA2 0.045 4.003 3.960 -0.003 0.000 0.274 342 G HA3 0.045 4.003 3.960 -0.003 0.000 0.274 342 G C -1.385 173.187 174.900 -0.548 0.000 1.324 342 G CA -1.170 43.736 45.100 -0.322 0.000 0.957 342 G HN 0.129 nan 8.290 nan 0.000 0.481 343 R N -0.558 119.507 120.500 -0.724 0.000 2.494 343 R HA 0.711 5.049 4.340 -0.003 0.000 0.305 343 R C -1.401 174.509 176.300 -0.649 0.000 0.959 343 R CA -0.466 55.346 56.100 -0.481 0.000 0.864 343 R CB 1.479 31.683 30.300 -0.161 0.000 1.159 343 R HN 0.324 nan 8.270 nan 0.000 0.446 344 F N 1.705 121.684 119.950 0.049 0.000 2.588 344 F HA 0.482 5.010 4.527 0.002 0.000 0.310 344 F C -0.606 175.247 175.800 0.089 0.000 1.082 344 F CA -1.153 56.905 58.000 0.097 0.000 0.929 344 F CB 1.467 40.468 39.000 0.002 0.000 1.254 344 F HN 0.335 nan 8.300 nan 0.000 0.455 345 F N 3.358 123.424 119.950 0.193 0.000 2.507 345 F HA 0.818 5.343 4.527 -0.003 0.000 0.325 345 F C -1.786 174.041 175.800 0.045 0.000 1.116 345 F CA -0.960 57.065 58.000 0.042 0.000 0.930 345 F CB 1.094 40.093 39.000 -0.003 0.000 1.146 345 F HN 0.336 nan 8.300 nan 0.000 0.447 346 L N 6.191 126.882 121.223 -0.886 0.000 2.386 346 L HA 0.564 4.902 4.340 -0.003 0.000 0.271 346 L C -0.425 175.909 176.870 -0.894 0.000 0.993 346 L CA -1.036 53.385 54.840 -0.697 0.000 0.819 346 L CB 2.251 43.966 42.059 -0.573 0.000 1.294 346 L HN 0.571 nan 8.230 nan 0.000 0.414 347 R N 2.790 122.998 120.500 -0.487 0.000 2.389 347 R HA 0.167 4.505 4.340 -0.003 0.000 0.295 347 R C -1.715 174.438 176.300 -0.245 0.000 1.075 347 R CA -1.572 54.360 56.100 -0.281 0.000 1.005 347 R CB 0.806 31.064 30.300 -0.070 0.000 0.987 347 R HN 0.317 nan 8.270 nan 0.000 0.452 348 P HA -0.283 nan 4.420 nan 0.000 0.215 348 P C 1.035 178.285 177.300 -0.084 0.000 1.157 348 P CA 1.355 64.384 63.100 -0.118 0.000 0.874 348 P CB 0.127 31.797 31.700 -0.050 0.000 0.790 349 E N -0.819 119.348 120.200 -0.054 0.000 2.130 349 E HA -0.190 4.158 4.350 -0.003 0.000 0.196 349 E C 1.469 178.039 176.600 -0.051 0.000 0.998 349 E CA 1.911 58.291 56.400 -0.033 0.000 0.806 349 E CB -1.787 27.904 29.700 -0.017 0.000 0.738 349 E HN 0.218 nan 8.360 nan 0.000 0.459 350 T N 1.590 116.091 114.554 -0.089 0.000 2.706 350 T HA 0.087 4.435 4.350 -0.003 0.000 0.255 350 T C 2.143 176.753 174.700 -0.150 0.000 1.048 350 T CA 1.681 63.716 62.100 -0.108 0.000 1.153 350 T CB -0.512 68.279 68.868 -0.129 0.000 0.865 350 T HN 0.420 nan 8.240 nan 0.000 0.414 351 A N 1.624 124.278 122.820 -0.276 0.000 1.873 351 A HA -0.052 4.266 4.320 -0.003 0.000 0.218 351 A C 2.258 179.774 177.584 -0.114 0.000 1.193 351 A CA 1.471 53.234 52.037 -0.456 0.000 0.629 351 A CB -1.128 17.308 19.000 -0.940 0.000 0.826 351 A HN 0.498 nan 8.150 nan 0.000 0.447 352 L N -1.202 120.005 121.223 -0.026 0.000 2.456 352 L HA -0.095 4.243 4.340 -0.003 0.000 0.224 352 L C 2.524 179.439 176.870 0.075 0.000 1.148 352 L CA 0.683 55.582 54.840 0.098 0.000 0.825 352 L CB -0.389 41.712 42.059 0.069 0.000 0.937 352 L HN 0.486 nan 8.230 nan 0.000 0.450 353 A N -1.869 120.970 122.820 0.032 0.000 2.252 353 A HA -0.013 4.305 4.320 -0.003 0.000 0.213 353 A C 0.768 178.373 177.584 0.036 0.000 1.188 353 A CA -0.157 51.897 52.037 0.028 0.000 0.863 353 A CB -0.009 18.995 19.000 0.006 0.000 0.893 353 A HN 0.224 nan 8.150 nan 0.000 0.495 354 D N 0.418 120.847 120.400 0.048 0.000 2.325 354 D HA 0.210 4.848 4.640 -0.003 0.000 0.251 354 D C -1.855 174.507 176.300 0.104 0.000 1.196 354 D CA -1.598 52.438 54.000 0.059 0.000 0.866 354 D CB 1.469 42.294 40.800 0.040 0.000 1.101 354 D HN -0.026 nan 8.370 nan 0.000 0.476 355 P HA -0.158 nan 4.420 nan 0.000 0.215 355 P C 1.004 178.352 177.300 0.080 0.000 1.153 355 P CA 1.251 64.390 63.100 0.064 0.000 0.853 355 P CB 0.423 32.147 31.700 0.039 0.000 0.788 356 Q N -1.983 117.868 119.800 0.084 0.000 2.079 356 Q HA -0.112 4.226 4.340 -0.003 0.000 0.200 356 Q C 1.923 178.013 176.000 0.150 0.000 0.974 356 Q CA 1.301 57.158 55.803 0.090 0.000 0.840 356 Q CB -1.250 27.521 28.738 0.054 0.000 0.898 356 Q HN 0.236 nan 8.270 nan 0.000 0.430 357 F N -0.195 119.773 119.950 0.030 0.000 2.146 357 F HA -0.142 4.383 4.527 -0.004 0.000 0.298 357 F C 1.819 177.720 175.800 0.170 0.000 1.096 357 F CA 0.768 58.814 58.000 0.078 0.000 1.275 357 F CB -0.124 38.876 39.000 0.000 0.000 1.008 357 F HN -0.145 nan 8.300 nan 0.000 0.480 358 V N 0.320 120.334 119.914 0.166 0.000 2.343 358 V HA -0.301 3.817 4.120 -0.003 0.000 0.247 358 V C 2.706 178.795 176.094 -0.010 0.000 1.051 358 V CA 1.753 64.088 62.300 0.059 0.000 1.036 358 V CB -1.517 30.354 31.823 0.080 0.000 0.654 358 V HN 0.446 nan 8.190 nan 0.000 0.451 359 A N -0.963 121.874 122.820 0.029 0.000 1.933 359 A HA -0.282 4.036 4.320 -0.003 0.000 0.218 359 A C 1.952 179.534 177.584 -0.003 0.000 1.175 359 A CA 1.928 53.971 52.037 0.010 0.000 0.628 359 A CB -0.889 18.133 19.000 0.037 0.000 0.814 359 A HN 0.745 nan 8.150 nan 0.000 0.444 360 W N 0.697 121.889 121.300 -0.180 0.000 2.358 360 W HA -0.150 4.508 4.660 -0.003 0.000 0.303 360 W C 1.720 178.080 176.519 -0.265 0.000 1.208 360 W CA 1.856 59.070 57.345 -0.219 0.000 1.274 360 W CB -0.372 28.918 29.460 -0.282 0.000 1.138 360 W HN 0.248 nan 8.180 nan 0.000 0.515 361 L N 0.251 121.261 121.223 -0.354 0.000 2.042 361 L HA -0.116 4.222 4.340 -0.003 0.000 0.210 361 L C 2.496 179.133 176.870 -0.388 0.000 1.076 361 L CA 1.568 56.110 54.840 -0.496 0.000 0.749 361 L CB -1.377 40.498 42.059 -0.308 0.000 0.893 361 L HN 0.248 nan 8.230 nan 0.000 0.432 362 G N -1.881 106.768 108.800 -0.252 0.000 2.985 362 G HA2 -0.118 3.840 3.960 -0.003 0.000 0.209 362 G HA3 -0.118 3.840 3.960 -0.003 0.000 0.209 362 G C 0.219 175.007 174.900 -0.187 0.000 1.165 362 G CA -0.200 44.786 45.100 -0.191 0.000 0.776 362 G HN 0.145 nan 8.290 nan 0.000 0.541 363 D N 0.770 121.028 120.400 -0.236 0.000 2.365 363 D HA 0.129 4.767 4.640 -0.003 0.000 0.237 363 D C 1.259 177.429 176.300 -0.217 0.000 1.190 363 D CA -0.379 53.507 54.000 -0.190 0.000 0.867 363 D CB 1.313 42.014 40.800 -0.164 0.000 1.050 363 D HN 0.097 nan 8.370 nan 0.000 0.491 364 E N 1.919 122.028 120.200 -0.151 0.000 2.267 364 E HA -0.170 4.178 4.350 -0.003 0.000 0.197 364 E C 1.561 178.092 176.600 -0.115 0.000 0.998 364 E CA 1.555 57.875 56.400 -0.133 0.000 0.830 364 E CB 0.010 29.654 29.700 -0.093 0.000 0.751 364 E HN 0.528 nan 8.360 nan 0.000 0.491 365 T N -2.262 112.233 114.554 -0.097 0.000 3.113 365 T HA 0.081 4.429 4.350 -0.003 0.000 0.256 365 T C 0.486 175.149 174.700 -0.063 0.000 1.131 365 T CA -0.128 61.935 62.100 -0.061 0.000 1.074 365 T CB 0.070 68.919 68.868 -0.031 0.000 0.944 365 T HN -0.179 nan 8.240 nan 0.000 0.516 366 K N 2.802 123.117 120.400 -0.142 0.000 2.266 366 K HA 0.347 4.665 4.320 -0.003 0.000 0.274 366 K C -0.335 176.136 176.600 -0.214 0.000 1.090 366 K CA -0.404 55.785 56.287 -0.163 0.000 0.925 366 K CB 1.100 33.352 32.500 -0.414 0.000 1.225 366 K HN 0.183 nan 8.250 nan 0.000 0.458 367 K N 2.609 122.973 120.400 -0.061 0.000 2.322 367 K HA 0.232 4.550 4.320 -0.003 0.000 0.283 367 K C -0.067 176.538 176.600 0.009 0.000 1.042 367 K CA -0.472 55.793 56.287 -0.037 0.000 0.958 367 K CB 0.694 33.207 32.500 0.022 0.000 0.984 367 K HN 0.259 nan 8.250 nan 0.000 0.473 368 K N 0.614 120.999 120.400 -0.025 0.000 2.316 368 K HA 0.385 4.703 4.320 -0.003 0.000 0.251 368 K C -0.706 175.964 176.600 0.117 0.000 0.934 368 K CA -0.448 55.870 56.287 0.050 0.000 0.802 368 K CB 1.967 34.425 32.500 -0.071 0.000 1.171 368 K HN 0.309 nan 8.250 nan 0.000 0.426 369 S N 2.691 118.517 115.700 0.210 0.000 2.454 369 S HA 0.645 5.113 4.470 -0.003 0.000 0.306 369 S C -0.655 174.079 174.600 0.224 0.000 1.100 369 S CA -0.787 57.580 58.200 0.278 0.000 1.087 369 S CB 0.476 63.883 63.200 0.345 0.000 1.019 369 S HN 0.468 nan 8.310 nan 0.000 0.480 370 M N 1.869 121.556 119.600 0.144 0.000 2.948 370 M HA 0.589 5.067 4.480 -0.003 0.000 0.278 370 M C -1.701 174.637 176.300 0.063 0.000 1.293 370 M CA -0.741 54.621 55.300 0.104 0.000 0.777 370 M CB 1.591 34.218 32.600 0.045 0.000 1.713 370 M HN 0.586 nan 8.290 nan 0.000 0.444 371 F N 1.702 121.614 119.950 -0.065 0.000 2.539 371 F HA 0.383 4.909 4.527 -0.002 0.000 0.328 371 F C -0.519 175.234 175.800 -0.079 0.000 1.148 371 F CA -0.311 57.632 58.000 -0.096 0.000 0.940 371 F CB 0.866 39.827 39.000 -0.066 0.000 1.194 371 F HN 0.694 nan 8.300 nan 0.000 0.438 372 D N 3.397 123.555 120.400 -0.404 0.000 2.848 372 D HA -0.208 4.429 4.640 -0.003 0.000 0.245 372 D C 0.920 177.137 176.300 -0.137 0.000 1.122 372 D CA 1.022 54.877 54.000 -0.241 0.000 0.769 372 D CB -0.736 40.034 40.800 -0.050 0.000 1.025 372 D HN 0.628 nan 8.370 nan 0.000 0.423 373 S N 0.561 116.166 115.700 -0.159 0.000 2.447 373 S HA -0.200 4.268 4.470 -0.003 0.000 0.233 373 S C 1.846 176.348 174.600 -0.163 0.000 1.006 373 S CA 1.326 59.447 58.200 -0.131 0.000 0.957 373 S CB 0.081 63.208 63.200 -0.122 0.000 0.773 373 S HN 0.542 nan 8.310 nan 0.000 0.507 374 K N 1.897 122.191 120.400 -0.176 0.000 2.057 374 K HA -0.097 4.221 4.320 -0.003 0.000 0.207 374 K C 2.517 178.869 176.600 -0.413 0.000 1.049 374 K CA 1.217 57.386 56.287 -0.195 0.000 0.931 374 K CB -0.262 32.178 32.500 -0.099 0.000 0.714 374 K HN 0.454 nan 8.250 nan 0.000 0.440 375 R N 0.217 120.399 120.500 -0.529 0.000 2.083 375 R HA -0.159 4.179 4.340 -0.003 0.000 0.237 375 R C 2.092 178.046 176.300 -0.576 0.000 1.137 375 R CA 1.657 57.178 56.100 -0.965 0.000 0.951 375 R CB -0.432 29.618 30.300 -0.417 0.000 0.851 375 R HN 0.285 nan 8.270 nan 0.000 0.434 376 A N 0.725 123.375 122.820 -0.283 0.000 1.898 376 A HA -0.023 4.295 4.320 -0.003 0.000 0.216 376 A C 2.418 179.908 177.584 -0.156 0.000 1.181 376 A CA 1.508 53.451 52.037 -0.157 0.000 0.620 376 A CB -0.827 18.125 19.000 -0.080 0.000 0.819 376 A HN 0.570 nan 8.150 nan 0.000 0.442 377 A N -0.508 122.204 122.820 -0.181 0.000 1.908 377 A HA -0.039 4.279 4.320 -0.003 0.000 0.218 377 A C 2.242 179.725 177.584 -0.168 0.000 1.181 377 A CA 1.956 53.895 52.037 -0.162 0.000 0.627 377 A CB -0.947 17.963 19.000 -0.151 0.000 0.818 377 A HN 0.397 nan 8.150 nan 0.000 0.445 378 V N -0.295 119.512 119.914 -0.178 0.000 2.307 378 V HA -0.194 3.923 4.120 -0.003 0.000 0.245 378 V C 3.053 179.235 176.094 0.147 0.000 1.045 378 V CA 1.806 64.091 62.300 -0.025 0.000 1.024 378 V CB -1.227 30.645 31.823 0.082 0.000 0.651 378 V HN 0.614 nan 8.190 nan 0.000 0.449 379 A N -0.272 122.577 122.820 0.048 0.000 1.940 379 A HA -0.171 4.147 4.320 -0.003 0.000 0.219 379 A C 2.214 179.870 177.584 0.121 0.000 1.176 379 A CA 1.816 53.932 52.037 0.132 0.000 0.631 379 A CB -0.522 18.494 19.000 0.026 0.000 0.814 379 A HN 0.513 nan 8.150 nan 0.000 0.446 380 L N -1.063 120.167 121.223 0.011 0.000 2.109 380 L HA -0.141 4.197 4.340 -0.003 0.000 0.207 380 L C 2.534 179.354 176.870 -0.083 0.000 1.086 380 L CA 1.369 56.199 54.840 -0.017 0.000 0.760 380 L CB -0.353 41.675 42.059 -0.051 0.000 0.910 380 L HN 0.332 nan 8.230 nan 0.000 0.437 381 K N -0.628 119.629 120.400 -0.237 0.000 2.103 381 K HA -0.214 4.104 4.320 -0.003 0.000 0.207 381 K C 1.879 178.189 176.600 -0.483 0.000 1.048 381 K CA 1.762 57.677 56.287 -0.621 0.000 0.930 381 K CB -0.248 31.465 32.500 -1.312 0.000 0.716 381 K HN 0.271 nan 8.250 nan 0.000 0.444 382 W N 1.271 122.484 121.300 -0.145 0.000 2.525 382 W HA -0.088 4.569 4.660 -0.004 0.000 0.259 382 W C 1.388 177.956 176.519 0.082 0.000 1.253 382 W CA 0.740 58.183 57.345 0.164 0.000 1.262 382 W CB 0.203 29.776 29.460 0.189 0.000 1.122 382 W HN -0.043 nan 8.180 nan 0.000 0.607 383 K N -0.391 120.128 120.400 0.199 0.000 2.372 383 K HA 0.253 4.571 4.320 -0.003 0.000 0.200 383 K C 1.249 177.887 176.600 0.064 0.000 1.022 383 K CA 0.511 56.875 56.287 0.129 0.000 1.125 383 K CB 0.388 32.947 32.500 0.098 0.000 0.855 383 K HN 0.030 nan 8.250 nan 0.000 0.524 384 G N 2.062 110.873 108.800 0.019 0.000 2.176 384 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.252 384 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.252 384 G C -0.041 174.837 174.900 -0.037 0.000 1.024 384 G CA 0.032 45.123 45.100 -0.015 0.000 0.755 384 G HN 0.277 nan 8.290 nan 0.000 0.507 385 I N 0.095 120.630 120.570 -0.058 0.000 2.433 385 I HA 0.390 4.558 4.170 -0.003 0.000 0.292 385 I C 0.275 176.331 176.117 -0.102 0.000 1.001 385 I CA -0.811 60.457 61.300 -0.053 0.000 1.119 385 I CB 1.916 39.909 38.000 -0.011 0.000 1.289 385 I HN 0.205 nan 8.210 nan 0.000 0.438 386 E N 6.086 126.225 120.200 -0.102 0.000 2.227 386 E HA 0.373 4.721 4.350 -0.003 0.000 0.282 386 E C -1.520 174.997 176.600 -0.138 0.000 1.015 386 E CA -0.811 55.513 56.400 -0.127 0.000 0.823 386 E CB 1.626 31.259 29.700 -0.112 0.000 1.081 386 E HN 0.392 nan 8.360 nan 0.000 0.396 387 L N 5.959 127.092 121.223 -0.150 0.000 2.280 387 L HA 0.431 4.769 4.340 -0.003 0.000 0.287 387 L C -1.495 175.271 176.870 -0.174 0.000 1.023 387 L CA -0.221 54.516 54.840 -0.171 0.000 0.819 387 L CB 0.699 42.668 42.059 -0.150 0.000 1.212 387 L HN 0.686 nan 8.230 nan 0.000 0.420 388 C N 2.307 121.481 119.300 -0.211 0.000 2.913 388 C HA 0.830 5.288 4.460 -0.003 0.000 0.322 388 C C 1.133 175.988 174.990 -0.224 0.000 1.292 388 C CA -0.089 58.816 59.018 -0.188 0.000 1.649 388 C CB 1.359 28.998 27.740 -0.168 0.000 2.139 388 C HN 1.100 nan 8.230 nan 0.000 0.475 389 G N 0.423 109.121 108.800 -0.170 0.000 2.160 389 G HA2 -0.182 3.776 3.960 -0.003 0.000 0.251 389 G HA3 -0.182 3.776 3.960 -0.003 0.000 0.251 389 G C -0.135 174.687 174.900 -0.130 0.000 1.008 389 G CA 0.309 45.312 45.100 -0.161 0.000 0.724 389 G HN 0.876 nan 8.290 nan 0.000 0.514 390 V N 1.928 121.776 119.914 -0.111 0.000 2.397 390 V HA 0.364 4.482 4.120 -0.003 0.000 0.262 390 V C 1.600 177.677 176.094 -0.028 0.000 1.047 390 V CA 0.937 63.194 62.300 -0.070 0.000 1.003 390 V CB 0.936 32.710 31.823 -0.083 0.000 1.037 390 V HN 0.808 nan 8.190 nan 0.000 0.480 391 S N 4.035 119.748 115.700 0.022 0.000 2.517 391 S HA 0.236 4.704 4.470 -0.003 0.000 0.214 391 S C -0.049 174.646 174.600 0.158 0.000 0.991 391 S CA -0.074 58.163 58.200 0.061 0.000 0.906 391 S CB 0.076 63.309 63.200 0.055 0.000 0.789 391 S HN 0.564 nan 8.310 nan 0.000 0.513 392 F N 1.640 121.573 119.950 -0.028 0.000 2.605 392 F HA 0.510 5.035 4.527 -0.003 0.000 0.320 392 F C -2.064 173.713 175.800 -0.039 0.000 1.159 392 F CA -1.026 56.957 58.000 -0.027 0.000 0.999 392 F CB 1.699 40.685 39.000 -0.022 0.000 1.258 392 F HN -0.038 nan 8.300 nan 0.000 0.464 393 D N 6.238 126.168 120.400 -0.784 0.000 2.453 393 D HA 0.158 4.796 4.640 -0.003 0.000 0.238 393 D C 0.613 176.308 176.300 -1.008 0.000 1.088 393 D CA -0.287 53.314 54.000 -0.665 0.000 0.854 393 D CB 1.764 42.324 40.800 -0.401 0.000 1.076 393 D HN 0.694 nan 8.370 nan 0.000 0.533 394 L N 5.236 125.945 121.223 -0.858 0.000 2.131 394 L HA -0.105 4.232 4.340 -0.003 0.000 0.210 394 L C 1.885 178.466 176.870 -0.483 0.000 1.092 394 L CA 1.457 55.925 54.840 -0.620 0.000 0.759 394 L CB -0.567 41.430 42.059 -0.102 0.000 0.903 394 L HN 0.529 nan 8.230 nan 0.000 0.435 395 L N -0.918 119.814 121.223 -0.818 0.000 2.017 395 L HA -0.184 4.154 4.340 -0.003 0.000 0.208 395 L C 2.240 178.903 176.870 -0.344 0.000 1.073 395 L CA 1.893 56.199 54.840 -0.889 0.000 0.745 395 L CB -0.615 40.658 42.059 -1.309 0.000 0.894 395 L HN 0.280 nan 8.230 nan 0.000 0.432 396 L N -0.644 120.386 121.223 -0.322 0.000 2.093 396 L HA -0.109 4.229 4.340 -0.003 0.000 0.208 396 L C 2.683 179.558 176.870 0.008 0.000 1.085 396 L CA 0.954 55.734 54.840 -0.101 0.000 0.755 396 L CB -0.993 40.986 42.059 -0.133 0.000 0.904 396 L HN 0.390 nan 8.230 nan 0.000 0.435 397 A N 0.337 123.096 122.820 -0.103 0.000 1.877 397 A HA -0.161 4.156 4.320 -0.003 0.000 0.216 397 A C 2.562 180.315 177.584 0.282 0.000 1.186 397 A CA 1.758 53.855 52.037 0.100 0.000 0.620 397 A CB -0.685 18.393 19.000 0.130 0.000 0.822 397 A HN 0.379 nan 8.150 nan 0.000 0.443 398 A N -1.431 121.559 122.820 0.285 0.000 1.902 398 A HA -0.116 4.202 4.320 -0.003 0.000 0.217 398 A C 2.148 179.902 177.584 0.283 0.000 1.181 398 A CA 1.737 54.021 52.037 0.412 0.000 0.623 398 A CB -0.889 18.331 19.000 0.367 0.000 0.818 398 A HN 0.756 nan 8.150 nan 0.000 0.443 399 Y N 0.698 121.052 120.300 0.089 0.000 2.128 399 Y HA -0.201 4.346 4.550 -0.004 0.000 0.284 399 Y C 1.912 177.857 175.900 0.076 0.000 1.154 399 Y CA 1.900 60.041 58.100 0.068 0.000 1.149 399 Y CB -0.398 38.072 38.460 0.016 0.000 0.976 399 Y HN 0.222 nan 8.280 nan 0.000 0.505 400 L N -0.721 120.488 121.223 -0.023 0.000 2.093 400 L HA -0.210 4.128 4.340 -0.003 0.000 0.208 400 L C 2.472 179.303 176.870 -0.064 0.000 1.085 400 L CA 0.970 55.732 54.840 -0.130 0.000 0.755 400 L CB -0.582 41.472 42.059 -0.009 0.000 0.904 400 L HN 0.274 nan 8.230 nan 0.000 0.435 401 L N -0.823 120.424 121.223 0.041 0.000 2.131 401 L HA -0.100 4.237 4.340 -0.003 0.000 0.210 401 L C 0.234 177.172 176.870 0.113 0.000 1.092 401 L CA 0.924 55.797 54.840 0.055 0.000 0.759 401 L CB -0.073 42.014 42.059 0.047 0.000 0.903 401 L HN 0.273 nan 8.230 nan 0.000 0.435 402 D N -1.890 118.569 120.400 0.098 0.000 2.349 402 D HA 0.071 4.709 4.640 -0.003 0.000 0.224 402 D C -2.071 174.292 176.300 0.104 0.000 1.323 402 D CA -0.943 53.148 54.000 0.151 0.000 0.917 402 D CB 1.038 41.925 40.800 0.146 0.000 1.524 402 D HN -0.211 nan 8.370 nan 0.000 0.505 403 P HA -0.048 nan 4.420 nan 0.000 0.225 403 P C 1.097 178.498 177.300 0.168 0.000 1.148 403 P CA 0.484 63.624 63.100 0.067 0.000 0.779 403 P CB 0.339 31.951 31.700 -0.145 0.000 0.780 404 A N -0.031 122.877 122.820 0.146 0.000 2.066 404 A HA -0.132 4.185 4.320 -0.003 0.000 0.218 404 A C 2.264 179.930 177.584 0.137 0.000 1.157 404 A CA 0.965 53.090 52.037 0.146 0.000 0.670 404 A CB -0.901 18.186 19.000 0.145 0.000 0.804 404 A HN 0.042 nan 8.150 nan 0.000 0.453 405 Q N -0.859 119.024 119.800 0.138 0.000 2.291 405 Q HA -0.053 4.285 4.340 -0.003 0.000 0.206 405 Q C 1.424 177.510 176.000 0.144 0.000 0.976 405 Q CA 0.940 56.820 55.803 0.129 0.000 0.875 405 Q CB -0.732 28.087 28.738 0.135 0.000 0.927 405 Q HN 0.974 nan 8.270 nan 0.000 0.450 406 G N 0.662 109.563 108.800 0.168 0.000 2.249 406 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.273 406 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.273 406 G C 0.146 175.148 174.900 0.171 0.000 1.036 406 G CA 0.355 45.553 45.100 0.164 0.000 0.824 406 G HN 0.236 nan 8.290 nan 0.000 0.504 407 V N 1.173 121.209 119.914 0.202 0.000 2.475 407 V HA 0.230 4.348 4.120 -0.003 0.000 0.292 407 V C 1.208 177.460 176.094 0.263 0.000 1.003 407 V CA 1.417 63.857 62.300 0.234 0.000 1.120 407 V CB 0.864 32.856 31.823 0.282 0.000 0.937 407 V HN 0.662 nan 8.190 nan 0.000 0.476 408 D N 1.549 122.104 120.400 0.258 0.000 2.520 408 D HA 0.167 4.805 4.640 -0.003 0.000 0.223 408 D C -0.068 176.416 176.300 0.306 0.000 1.186 408 D CA -0.173 53.995 54.000 0.281 0.000 0.821 408 D CB 0.406 41.313 40.800 0.179 0.000 1.072 408 D HN 0.644 nan 8.370 nan 0.000 0.518 409 D N -1.513 118.986 120.400 0.165 0.000 2.615 409 D HA 0.104 4.741 4.640 -0.003 0.000 0.267 409 D C 0.889 176.805 176.300 -0.641 0.000 1.236 409 D CA -0.890 52.937 54.000 -0.288 0.000 0.839 409 D CB 1.287 42.031 40.800 -0.093 0.000 1.380 409 D HN -0.228 nan 8.370 nan 0.000 0.433 410 V N 0.706 120.017 119.914 -1.005 0.000 2.332 410 V HA -0.204 3.914 4.120 -0.003 0.000 0.248 410 V C 2.610 178.584 176.094 -0.199 0.000 1.055 410 V CA 2.808 64.710 62.300 -0.663 0.000 1.038 410 V CB -1.147 30.381 31.823 -0.492 0.000 0.651 410 V HN 0.797 nan 8.190 nan 0.000 0.450 411 A N -0.040 122.717 122.820 -0.104 0.000 1.908 411 A HA -0.167 4.151 4.320 -0.003 0.000 0.218 411 A C 2.423 180.047 177.584 0.068 0.000 1.181 411 A CA 2.249 54.302 52.037 0.027 0.000 0.627 411 A CB -0.758 18.271 19.000 0.048 0.000 0.818 411 A HN 0.597 nan 8.150 nan 0.000 0.445 412 A N -0.349 122.507 122.820 0.060 0.000 1.930 412 A HA 0.211 4.529 4.320 -0.003 0.000 0.217 412 A C 2.490 180.178 177.584 0.173 0.000 1.175 412 A CA 1.964 54.071 52.037 0.117 0.000 0.627 412 A CB -0.924 18.154 19.000 0.129 0.000 0.815 412 A HN 1.019 nan 8.150 nan 0.000 0.443 413 A N -0.093 122.841 122.820 0.191 0.000 1.873 413 A HA 0.209 4.527 4.320 -0.003 0.000 0.215 413 A C 2.503 180.276 177.584 0.315 0.000 1.186 413 A CA 1.934 54.140 52.037 0.282 0.000 0.616 413 A CB -1.027 18.113 19.000 0.234 0.000 0.823 413 A HN 1.035 nan 8.150 nan 0.000 0.442 414 A N -0.317 122.614 122.820 0.184 0.000 1.933 414 A HA -0.183 4.135 4.320 -0.003 0.000 0.218 414 A C 2.098 179.848 177.584 0.277 0.000 1.175 414 A CA 1.971 54.136 52.037 0.212 0.000 0.628 414 A CB -0.457 18.640 19.000 0.162 0.000 0.814 414 A HN 0.521 nan 8.150 nan 0.000 0.444 415 K N -0.921 119.609 120.400 0.217 0.000 2.280 415 K HA -0.049 4.268 4.320 -0.003 0.000 0.202 415 K C 1.859 178.554 176.600 0.157 0.000 1.047 415 K CA 1.224 57.615 56.287 0.173 0.000 0.942 415 K CB -0.236 32.341 32.500 0.128 0.000 0.739 415 K HN 0.556 nan 8.250 nan 0.000 0.457 416 M N 0.181 119.896 119.600 0.192 0.000 2.279 416 M HA -0.119 4.358 4.480 -0.003 0.000 0.264 416 M C 0.880 177.226 176.300 0.076 0.000 1.062 416 M CA 1.335 56.712 55.300 0.128 0.000 1.099 416 M CB 0.274 32.972 32.600 0.162 0.000 1.394 416 M HN -0.143 nan 8.290 nan 0.000 0.426 417 K N 0.541 121.032 120.400 0.150 0.000 2.699 417 K HA 0.143 4.461 4.320 -0.003 0.000 0.210 417 K C -0.111 176.581 176.600 0.153 0.000 1.076 417 K CA 0.069 56.427 56.287 0.118 0.000 1.109 417 K CB 0.604 33.205 32.500 0.169 0.000 0.862 417 K HN 0.215 nan 8.250 nan 0.000 0.470 418 Q N -0.690 119.191 119.800 0.134 0.000 2.457 418 Q HA -0.267 4.071 4.340 -0.003 0.000 0.283 418 Q C -0.724 175.366 176.000 0.150 0.000 1.234 418 Q CA 0.962 56.832 55.803 0.112 0.000 0.877 418 Q CB -2.859 25.919 28.738 0.066 0.000 1.250 418 Q HN 0.455 nan 8.270 nan 0.000 0.481 419 Y N 0.111 120.457 120.300 0.078 0.000 2.334 419 Y HA 0.367 4.919 4.550 0.002 0.000 0.336 419 Y C 0.630 176.569 175.900 0.066 0.000 0.960 419 Y CA -0.601 57.545 58.100 0.076 0.000 1.164 419 Y CB 0.966 39.487 38.460 0.101 0.000 1.155 419 Y HN 0.053 nan 8.280 nan 0.000 0.478 420 E N 3.691 123.853 120.200 -0.064 0.000 2.876 420 E HA 0.272 4.620 4.350 -0.003 0.000 0.208 420 E C 0.110 176.680 176.600 -0.050 0.000 0.981 420 E CA -0.112 56.300 56.400 0.020 0.000 1.174 420 E CB 0.783 30.488 29.700 0.009 0.000 1.047 420 E HN 0.627 nan 8.360 nan 0.000 0.477 421 A N 1.378 124.066 122.820 -0.221 0.000 2.840 421 A HA 0.327 4.645 4.320 -0.003 0.000 0.269 421 A C -0.065 177.588 177.584 0.115 0.000 1.439 421 A CA -0.020 51.945 52.037 -0.120 0.000 1.083 421 A CB 0.061 18.883 19.000 -0.296 0.000 1.019 421 A HN 0.111 nan 8.150 nan 0.000 0.607 422 V N -0.350 119.652 119.914 0.147 0.000 3.000 422 V HA 0.461 4.579 4.120 -0.003 0.000 0.300 422 V C -1.068 175.099 176.094 0.122 0.000 1.251 422 V CA -0.987 61.409 62.300 0.160 0.000 0.972 422 V CB 2.017 33.954 31.823 0.190 0.000 1.065 422 V HN 0.671 nan 8.190 nan 0.000 0.431 423 R N 5.090 125.670 120.500 0.133 0.000 2.500 423 R HA 0.568 4.906 4.340 -0.003 0.000 0.277 423 R C -2.579 173.767 176.300 0.077 0.000 1.026 423 R CA -1.684 54.450 56.100 0.056 0.000 1.058 423 R CB 1.063 31.331 30.300 -0.055 0.000 1.078 423 R HN 0.489 nan 8.270 nan 0.000 0.509 424 P HA -0.007 nan 4.420 nan 0.000 0.271 424 P C -0.235 177.051 177.300 -0.024 0.000 1.218 424 P CA -0.085 63.028 63.100 0.021 0.000 0.780 424 P CB 0.621 32.327 31.700 0.011 0.000 0.901 425 D N 1.170 121.602 120.400 0.054 0.000 2.149 425 D HA -0.185 4.453 4.640 -0.003 0.000 0.198 425 D C 1.554 177.864 176.300 0.015 0.000 0.990 425 D CA 1.365 55.416 54.000 0.084 0.000 0.839 425 D CB -0.182 40.790 40.800 0.286 0.000 0.948 425 D HN 0.594 nan 8.370 nan 0.000 0.460 426 E N 0.321 120.548 120.200 0.046 0.000 2.153 426 E HA -0.145 4.203 4.350 -0.003 0.000 0.194 426 E C 1.885 178.465 176.600 -0.032 0.000 0.988 426 E CA 0.878 57.303 56.400 0.042 0.000 0.811 426 E CB 0.068 29.794 29.700 0.045 0.000 0.746 426 E HN 0.178 nan 8.360 nan 0.000 0.466 427 A N 0.147 122.913 122.820 -0.090 0.000 1.969 427 A HA -0.079 4.239 4.320 -0.003 0.000 0.218 427 A C 2.241 179.698 177.584 -0.212 0.000 1.169 427 A CA 1.089 53.054 52.037 -0.121 0.000 0.635 427 A CB -0.138 18.794 19.000 -0.112 0.000 0.810 427 A HN 0.208 nan 8.150 nan 0.000 0.445 428 V N -1.981 117.697 119.914 -0.393 0.000 2.379 428 V HA -0.122 3.995 4.120 -0.003 0.000 0.243 428 V C 2.074 177.880 176.094 -0.481 0.000 1.035 428 V CA 1.398 63.335 62.300 -0.605 0.000 1.035 428 V CB -0.875 30.220 31.823 -1.215 0.000 0.673 428 V HN 0.636 nan 8.190 nan 0.000 0.457 429 Y N 0.664 120.908 120.300 -0.094 0.000 2.497 429 Y HA 0.532 5.081 4.550 -0.002 0.000 0.265 429 Y C 1.571 177.455 175.900 -0.026 0.000 1.111 429 Y CA 0.135 58.211 58.100 -0.041 0.000 1.288 429 Y CB -0.469 37.983 38.460 -0.012 0.000 1.082 429 Y HN 0.331 nan 8.280 nan 0.000 0.536 430 G N 1.373 110.222 108.800 0.082 0.000 2.741 430 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.222 430 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.222 430 G C -0.550 174.393 174.900 0.072 0.000 1.364 430 G CA -0.243 44.889 45.100 0.053 0.000 0.866 430 G HN 0.424 nan 8.290 nan 0.000 0.555 431 K N -0.936 119.493 120.400 0.048 0.000 2.509 431 K HA 0.787 5.105 4.320 -0.003 0.000 0.266 431 K C 0.920 177.538 176.600 0.031 0.000 0.987 431 K CA 0.067 56.380 56.287 0.044 0.000 0.868 431 K CB 1.586 34.109 32.500 0.039 0.000 1.421 431 K HN 2.616 nan 8.250 nan 0.000 0.444 432 G N 0.767 109.582 108.800 0.026 0.000 2.582 432 G HA2 -0.398 3.560 3.960 -0.003 0.000 0.288 432 G HA3 -0.398 3.560 3.960 -0.003 0.000 0.288 432 G C 0.936 175.845 174.900 0.015 0.000 1.247 432 G CA 0.967 46.077 45.100 0.017 0.000 0.972 432 G HN 1.177 nan 8.290 nan 0.000 0.557 433 A N -0.924 121.903 122.820 0.012 0.000 2.070 433 A HA 0.073 4.391 4.320 -0.003 0.000 0.220 433 A C 2.209 179.801 177.584 0.013 0.000 1.159 433 A CA 2.386 54.429 52.037 0.010 0.000 0.656 433 A CB -0.311 18.694 19.000 0.008 0.000 0.800 433 A HN 0.513 nan 8.150 nan 0.000 0.453 434 K N -0.257 120.154 120.400 0.017 0.000 2.418 434 K HA 0.047 4.365 4.320 -0.003 0.000 0.195 434 K C 0.638 177.256 176.600 0.031 0.000 1.035 434 K CA -0.097 56.203 56.287 0.020 0.000 1.003 434 K CB -0.176 32.335 32.500 0.018 0.000 0.793 434 K HN 0.246 nan 8.250 nan 0.000 0.494 435 R N 1.626 122.147 120.500 0.035 0.000 2.537 435 R HA 0.063 4.401 4.340 -0.003 0.000 0.281 435 R C -0.395 175.935 176.300 0.050 0.000 0.988 435 R CA 0.494 56.625 56.100 0.051 0.000 1.077 435 R CB -0.039 30.281 30.300 0.033 0.000 0.932 435 R HN 0.186 nan 8.270 nan 0.000 0.409 436 A N 2.954 125.826 122.820 0.086 0.000 2.590 436 A HA 0.298 4.616 4.320 -0.003 0.000 0.294 436 A C -1.250 176.429 177.584 0.158 0.000 1.046 436 A CA -0.740 51.345 52.037 0.080 0.000 0.684 436 A CB 1.196 20.230 19.000 0.057 0.000 1.279 436 A HN 0.339 nan 8.150 nan 0.000 0.415 437 V N 3.947 123.936 119.914 0.125 0.000 2.455 437 V HA 0.390 4.507 4.120 -0.003 0.000 0.273 437 V C -1.298 174.886 176.094 0.149 0.000 1.045 437 V CA -0.567 61.851 62.300 0.196 0.000 0.976 437 V CB 0.575 32.466 31.823 0.113 0.000 0.993 437 V HN 0.868 nan 8.190 nan 0.000 0.475 438 P HA 0.225 nan 4.420 nan 0.000 0.275 438 P C -0.493 176.836 177.300 0.048 0.000 1.266 438 P CA -0.611 62.524 63.100 0.058 0.000 0.793 438 P CB 0.706 32.403 31.700 -0.005 0.000 1.074 439 D N 0.114 120.526 120.400 0.019 0.000 2.378 439 D HA -0.057 4.581 4.640 -0.003 0.000 0.238 439 D C 1.338 177.636 176.300 -0.002 0.000 1.180 439 D CA 0.089 54.097 54.000 0.014 0.000 0.895 439 D CB 0.616 41.417 40.800 0.003 0.000 1.192 439 D HN 0.518 nan 8.370 nan 0.000 0.438 440 E N 0.957 121.155 120.200 -0.002 0.000 2.086 440 E HA -0.205 4.143 4.350 -0.003 0.000 0.200 440 E C -0.921 175.599 176.600 -0.134 0.000 1.012 440 E CA 1.399 57.768 56.400 -0.052 0.000 0.812 440 E CB -0.406 29.292 29.700 -0.004 0.000 0.743 440 E HN 0.266 nan 8.360 nan 0.000 0.453 441 P HA -0.167 nan 4.420 nan 0.000 0.215 441 P C 1.444 178.712 177.300 -0.052 0.000 1.157 441 P CA 1.256 64.327 63.100 -0.048 0.000 0.868 441 P CB 0.055 31.741 31.700 -0.023 0.000 0.788 442 V N -0.617 119.264 119.914 -0.054 0.000 2.307 442 V HA -0.196 3.922 4.120 -0.003 0.000 0.245 442 V C 2.391 178.440 176.094 -0.074 0.000 1.045 442 V CA 1.486 63.751 62.300 -0.058 0.000 1.024 442 V CB -1.297 30.488 31.823 -0.063 0.000 0.651 442 V HN 0.045 nan 8.190 nan 0.000 0.449 443 L N 1.112 122.291 121.223 -0.074 0.000 2.012 443 L HA -0.114 4.224 4.340 -0.003 0.000 0.210 443 L C 2.454 179.231 176.870 -0.155 0.000 1.073 443 L CA 2.478 57.301 54.840 -0.028 0.000 0.748 443 L CB -1.006 41.080 42.059 0.046 0.000 0.891 443 L HN 0.216 nan 8.230 nan 0.000 0.431 444 A N -0.613 121.914 122.820 -0.488 0.000 1.877 444 A HA -0.294 4.024 4.320 -0.003 0.000 0.216 444 A C 2.326 179.547 177.584 -0.604 0.000 1.186 444 A CA 1.860 53.336 52.037 -0.936 0.000 0.620 444 A CB -0.860 17.424 19.000 -1.194 0.000 0.822 444 A HN 0.663 nan 8.150 nan 0.000 0.443 445 E N -1.227 118.791 120.200 -0.303 0.000 2.110 445 E HA -0.302 4.046 4.350 -0.003 0.000 0.193 445 E C 1.891 178.422 176.600 -0.115 0.000 0.988 445 E CA 1.572 57.866 56.400 -0.176 0.000 0.804 445 E CB -0.287 29.451 29.700 0.064 0.000 0.745 445 E HN 0.765 nan 8.360 nan 0.000 0.458 446 H N 0.559 119.531 119.070 -0.162 0.000 2.321 446 H HA -0.053 4.500 4.556 -0.005 0.000 0.300 446 H C 1.964 177.242 175.328 -0.083 0.000 1.087 446 H CA 2.000 57.977 56.048 -0.118 0.000 1.319 446 H CB -0.288 29.386 29.762 -0.148 0.000 1.379 446 H HN 0.181 nan 8.280 nan 0.000 0.501 447 L N -0.614 120.522 121.223 -0.146 0.000 2.083 447 L HA -0.139 4.199 4.340 -0.003 0.000 0.209 447 L C 2.539 179.323 176.870 -0.143 0.000 1.083 447 L CA 1.026 55.787 54.840 -0.133 0.000 0.752 447 L CB -0.494 41.621 42.059 0.094 0.000 0.899 447 L HN 0.207 nan 8.230 nan 0.000 0.433 448 V N -0.108 119.674 119.914 -0.220 0.000 2.358 448 V HA -0.233 3.885 4.120 -0.003 0.000 0.246 448 V C 2.611 178.632 176.094 -0.122 0.000 1.047 448 V CA 1.593 63.753 62.300 -0.233 0.000 1.035 448 V CB -0.542 30.955 31.823 -0.543 0.000 0.658 448 V HN 0.403 nan 8.190 nan 0.000 0.452 449 R N -0.168 120.269 120.500 -0.105 0.000 2.115 449 R HA -0.109 4.229 4.340 -0.003 0.000 0.230 449 R C 2.374 178.660 176.300 -0.025 0.000 1.111 449 R CA 1.109 57.203 56.100 -0.009 0.000 0.976 449 R CB -0.201 30.122 30.300 0.038 0.000 0.870 449 R HN 0.495 nan 8.270 nan 0.000 0.445 450 K N 0.057 120.375 120.400 -0.138 0.000 2.103 450 K HA -0.019 4.299 4.320 -0.003 0.000 0.204 450 K C 2.118 178.684 176.600 -0.057 0.000 1.052 450 K CA 1.158 57.356 56.287 -0.148 0.000 0.945 450 K CB -0.036 32.300 32.500 -0.272 0.000 0.722 450 K HN 0.110 nan 8.250 nan 0.000 0.443 451 A N 1.700 124.503 122.820 -0.029 0.000 1.898 451 A HA -0.088 4.230 4.320 -0.003 0.000 0.216 451 A C 2.390 180.022 177.584 0.079 0.000 1.181 451 A CA 1.772 53.833 52.037 0.039 0.000 0.620 451 A CB -0.571 18.446 19.000 0.027 0.000 0.819 451 A HN 0.312 nan 8.150 nan 0.000 0.442 452 A N -0.089 122.764 122.820 0.055 0.000 1.902 452 A HA 0.155 4.473 4.320 -0.003 0.000 0.217 452 A C 2.497 180.150 177.584 0.115 0.000 1.181 452 A CA 2.090 54.199 52.037 0.119 0.000 0.623 452 A CB -0.985 18.091 19.000 0.125 0.000 0.818 452 A HN 1.029 nan 8.150 nan 0.000 0.443 453 A N -0.049 122.761 122.820 -0.018 0.000 1.902 453 A HA -0.075 4.243 4.320 -0.003 0.000 0.217 453 A C 2.117 179.577 177.584 -0.207 0.000 1.181 453 A CA 1.505 53.331 52.037 -0.352 0.000 0.623 453 A CB -0.610 18.189 19.000 -0.334 0.000 0.818 453 A HN 0.494 nan 8.150 nan 0.000 0.443 454 I N -1.728 118.829 120.570 -0.023 0.000 2.226 454 I HA -0.291 3.877 4.170 -0.003 0.000 0.245 454 I C 2.528 178.720 176.117 0.125 0.000 1.100 454 I CA 1.422 62.769 61.300 0.078 0.000 1.374 454 I CB -0.343 37.757 38.000 0.166 0.000 1.057 454 I HN 0.709 nan 8.210 nan 0.000 0.413 455 W N 2.121 123.403 121.300 -0.030 0.000 2.338 455 W HA -0.288 4.368 4.660 -0.008 0.000 0.304 455 W C 2.404 178.892 176.519 -0.051 0.000 1.212 455 W CA 2.121 59.453 57.345 -0.021 0.000 1.264 455 W CB 0.008 29.474 29.460 0.011 0.000 1.142 455 W HN 0.182 nan 8.180 nan 0.000 0.512 456 E N 0.571 120.795 120.200 0.040 0.000 2.112 456 E HA -0.143 4.204 4.350 -0.003 0.000 0.190 456 E C 2.157 178.695 176.600 -0.103 0.000 0.979 456 E CA 1.424 57.794 56.400 -0.050 0.000 0.814 456 E CB -0.839 28.898 29.700 0.062 0.000 0.762 456 E HN 0.331 nan 8.360 nan 0.000 0.460 457 L N 0.481 121.632 121.223 -0.121 0.000 2.492 457 L HA 0.107 4.445 4.340 -0.003 0.000 0.223 457 L C 2.397 179.241 176.870 -0.044 0.000 1.132 457 L CA 0.583 55.414 54.840 -0.015 0.000 0.850 457 L CB -0.300 41.727 42.059 -0.053 0.000 0.966 457 L HN 0.236 nan 8.230 nan 0.000 0.454 458 E N 0.951 120.965 120.200 -0.309 0.000 2.049 458 E HA -0.319 4.029 4.350 -0.003 0.000 0.198 458 E C 2.281 178.579 176.600 -0.503 0.000 1.007 458 E CA 1.504 57.423 56.400 -0.803 0.000 0.809 458 E CB 0.115 29.290 29.700 -0.875 0.000 0.749 458 E HN 0.185 nan 8.360 nan 0.000 0.450 459 R N 0.852 121.161 120.500 -0.318 0.000 2.082 459 R HA -0.100 4.238 4.340 -0.003 0.000 0.234 459 R C -0.788 175.465 176.300 -0.080 0.000 1.136 459 R CA 2.364 58.345 56.100 -0.198 0.000 0.935 459 R CB -1.542 28.652 30.300 -0.177 0.000 0.842 459 R HN 0.310 nan 8.270 nan 0.000 0.430 460 P HA -0.143 nan 4.420 nan 0.000 0.216 460 P C 1.198 178.512 177.300 0.023 0.000 1.150 460 P CA 1.309 64.417 63.100 0.014 0.000 0.837 460 P CB -0.201 31.526 31.700 0.045 0.000 0.786 461 F N -0.127 119.808 119.950 -0.024 0.000 2.146 461 F HA -0.063 4.461 4.527 -0.005 0.000 0.298 461 F C 2.638 178.475 175.800 0.062 0.000 1.096 461 F CA 1.171 59.214 58.000 0.071 0.000 1.275 461 F CB -1.283 37.861 39.000 0.239 0.000 1.008 461 F HN -0.255 nan 8.300 nan 0.000 0.480 462 L N -0.543 120.773 121.223 0.156 0.000 2.083 462 L HA -0.221 4.117 4.340 -0.003 0.000 0.209 462 L C 2.032 178.921 176.870 0.031 0.000 1.083 462 L CA 1.119 56.011 54.840 0.087 0.000 0.752 462 L CB -0.627 41.413 42.059 -0.031 0.000 0.899 462 L HN 0.057 nan 8.230 nan 0.000 0.433 463 D N -0.190 120.207 120.400 -0.005 0.000 2.117 463 D HA -0.218 4.419 4.640 -0.003 0.000 0.197 463 D C 2.057 178.340 176.300 -0.028 0.000 0.987 463 D CA 1.144 55.130 54.000 -0.024 0.000 0.829 463 D CB 0.044 40.822 40.800 -0.037 0.000 0.961 463 D HN 0.348 nan 8.370 nan 0.000 0.460 464 E N 0.095 120.268 120.200 -0.044 0.000 2.106 464 E HA -0.093 4.255 4.350 -0.003 0.000 0.192 464 E C 2.322 178.900 176.600 -0.036 0.000 0.984 464 E CA 0.264 56.626 56.400 -0.064 0.000 0.806 464 E CB 0.002 29.624 29.700 -0.130 0.000 0.750 464 E HN 0.205 nan 8.360 nan 0.000 0.458 465 L N 0.448 121.674 121.223 0.004 0.000 2.042 465 L HA -0.198 4.140 4.340 -0.003 0.000 0.210 465 L C 2.773 179.642 176.870 -0.003 0.000 1.076 465 L CA 1.174 56.028 54.840 0.022 0.000 0.749 465 L CB -0.352 41.759 42.059 0.086 0.000 0.893 465 L HN 0.070 nan 8.230 nan 0.000 0.432 466 R N 0.615 121.113 120.500 -0.003 0.000 2.081 466 R HA -0.129 4.209 4.340 -0.003 0.000 0.235 466 R C 2.312 178.591 176.300 -0.036 0.000 1.131 466 R CA 1.520 57.609 56.100 -0.018 0.000 0.960 466 R CB -0.275 30.016 30.300 -0.015 0.000 0.856 466 R HN 0.210 nan 8.270 nan 0.000 0.436 467 R N -0.209 120.270 120.500 -0.036 0.000 2.120 467 R HA -0.009 4.329 4.340 -0.003 0.000 0.234 467 R C 1.207 177.475 176.300 -0.053 0.000 1.123 467 R CA 1.403 57.479 56.100 -0.040 0.000 0.975 467 R CB -0.285 29.994 30.300 -0.035 0.000 0.866 467 R HN 0.249 nan 8.270 nan 0.000 0.446 468 N N 0.837 119.498 118.700 -0.064 0.000 2.461 468 N HA -0.046 4.692 4.740 -0.003 0.000 0.188 468 N C -0.481 174.962 175.510 -0.112 0.000 1.134 468 N CA 0.386 53.381 53.050 -0.091 0.000 0.878 468 N CB 0.199 38.625 38.487 -0.101 0.000 0.972 468 N HN 0.188 nan 8.380 nan 0.000 0.456 469 E N -0.651 119.480 120.200 -0.115 0.000 2.513 469 E HA -0.263 4.085 4.350 -0.003 0.000 0.257 469 E C -0.249 176.269 176.600 -0.137 0.000 1.098 469 E CA 0.277 56.565 56.400 -0.187 0.000 0.752 469 E CB -1.550 27.923 29.700 -0.377 0.000 1.324 469 E HN 0.536 nan 8.360 nan 0.000 0.403 470 Q N -0.496 119.278 119.800 -0.044 0.000 2.171 470 Q HA -0.009 4.329 4.340 -0.003 0.000 0.218 470 Q C 1.355 177.377 176.000 0.037 0.000 0.822 470 Q CA 0.249 56.063 55.803 0.018 0.000 0.987 470 Q CB 0.487 29.231 28.738 0.010 0.000 1.144 470 Q HN 0.365 nan 8.270 nan 0.000 0.494 471 D N 1.145 121.560 120.400 0.025 0.000 2.117 471 D HA -0.219 4.419 4.640 -0.003 0.000 0.197 471 D C 1.524 177.852 176.300 0.048 0.000 0.987 471 D CA 1.042 55.067 54.000 0.042 0.000 0.829 471 D CB -0.101 40.715 40.800 0.027 0.000 0.961 471 D HN 0.179 nan 8.370 nan 0.000 0.460 472 R N -0.294 120.232 120.500 0.044 0.000 2.115 472 R HA 0.023 4.361 4.340 -0.003 0.000 0.226 472 R C 2.463 178.793 176.300 0.050 0.000 1.100 472 R CA 0.308 56.436 56.100 0.046 0.000 0.980 472 R CB -0.362 29.969 30.300 0.052 0.000 0.875 472 R HN 0.143 nan 8.270 nan 0.000 0.445 473 L N 1.109 122.370 121.223 0.062 0.000 2.079 473 L HA -0.152 4.186 4.340 -0.003 0.000 0.210 473 L C 1.960 178.857 176.870 0.044 0.000 1.081 473 L CA 1.520 56.392 54.840 0.053 0.000 0.752 473 L CB -0.426 41.670 42.059 0.062 0.000 0.896 473 L HN 0.134 nan 8.230 nan 0.000 0.433 474 L N -1.655 119.598 121.223 0.050 0.000 2.034 474 L HA -0.058 4.280 4.340 -0.003 0.000 0.203 474 L C 2.264 179.152 176.870 0.030 0.000 1.074 474 L CA 1.721 56.588 54.840 0.044 0.000 0.748 474 L CB -0.629 41.471 42.059 0.069 0.000 0.905 474 L HN 0.038 nan 8.230 nan 0.000 0.439 475 V N -0.423 119.516 119.914 0.041 0.000 2.548 475 V HA -0.168 3.950 4.120 -0.003 0.000 0.249 475 V C 2.229 178.333 176.094 0.016 0.000 1.055 475 V CA 1.892 64.212 62.300 0.032 0.000 1.065 475 V CB -0.555 31.293 31.823 0.041 0.000 0.681 475 V HN 0.498 nan 8.190 nan 0.000 0.462 476 E N -1.200 119.011 120.200 0.018 0.000 2.431 476 E HA 0.107 4.455 4.350 -0.003 0.000 0.200 476 E C 1.576 178.178 176.600 0.005 0.000 0.995 476 E CA 0.192 56.598 56.400 0.009 0.000 0.915 476 E CB 0.646 30.354 29.700 0.013 0.000 0.930 476 E HN 0.426 nan 8.360 nan 0.000 0.496 477 L N 0.145 121.373 121.223 0.009 0.000 2.919 477 L HA 0.115 4.453 4.340 -0.003 0.000 0.169 477 L C 1.772 178.645 176.870 0.004 0.000 1.228 477 L CA 0.602 55.445 54.840 0.006 0.000 0.862 477 L CB 0.183 42.248 42.059 0.011 0.000 1.313 477 L HN -0.209 nan 8.230 nan 0.000 0.526 478 E N 0.116 120.325 120.200 0.015 0.000 2.051 478 E HA -0.248 4.100 4.350 -0.003 0.000 0.192 478 E C 2.027 178.616 176.600 -0.018 0.000 0.991 478 E CA 1.554 57.962 56.400 0.012 0.000 0.799 478 E CB -0.244 29.481 29.700 0.042 0.000 0.748 478 E HN 0.608 nan 8.360 nan 0.000 0.449 479 Q N -0.279 119.506 119.800 -0.026 0.000 2.079 479 Q HA -0.094 4.244 4.340 -0.003 0.000 0.200 479 Q C -0.543 175.432 176.000 -0.041 0.000 0.974 479 Q CA 1.356 57.130 55.803 -0.047 0.000 0.840 479 Q CB -0.803 27.907 28.738 -0.046 0.000 0.898 479 Q HN 0.231 nan 8.270 nan 0.000 0.430 480 P HA -0.155 nan 4.420 nan 0.000 0.217 480 P C 1.242 178.524 177.300 -0.030 0.000 1.150 480 P CA 0.847 63.930 63.100 -0.029 0.000 0.832 480 P CB 0.016 31.703 31.700 -0.021 0.000 0.787 481 L N -0.570 120.637 121.223 -0.027 0.000 2.083 481 L HA -0.111 4.227 4.340 -0.003 0.000 0.209 481 L C 2.386 179.236 176.870 -0.033 0.000 1.083 481 L CA 1.863 56.685 54.840 -0.031 0.000 0.752 481 L CB -1.501 40.542 42.059 -0.027 0.000 0.899 481 L HN -0.095 nan 8.230 nan 0.000 0.433 482 S N -1.356 114.322 115.700 -0.036 0.000 2.370 482 S HA -0.213 4.255 4.470 -0.003 0.000 0.226 482 S C 2.101 176.684 174.600 -0.028 0.000 1.033 482 S CA 1.784 59.961 58.200 -0.037 0.000 1.011 482 S CB -0.376 62.785 63.200 -0.066 0.000 0.852 482 S HN 0.666 nan 8.310 nan 0.000 0.457 483 S N 1.013 116.691 115.700 -0.038 0.000 2.383 483 S HA 0.084 4.552 4.470 -0.003 0.000 0.227 483 S C 1.725 176.317 174.600 -0.015 0.000 1.026 483 S CA 1.233 59.411 58.200 -0.037 0.000 0.981 483 S CB -0.361 62.810 63.200 -0.048 0.000 0.818 483 S HN 0.541 nan 8.310 nan 0.000 0.472 484 I N 1.282 121.843 120.570 -0.014 0.000 2.252 484 I HA -0.139 4.029 4.170 -0.003 0.000 0.245 484 I C 1.960 178.088 176.117 0.019 0.000 1.102 484 I CA 1.007 62.304 61.300 -0.005 0.000 1.385 484 I CB -0.352 37.634 38.000 -0.022 0.000 1.064 484 I HN 0.229 nan 8.210 nan 0.000 0.414 485 L N 0.577 121.811 121.223 0.018 0.000 2.083 485 L HA -0.187 4.151 4.340 -0.003 0.000 0.209 485 L C 2.869 179.856 176.870 0.195 0.000 1.083 485 L CA 1.191 56.080 54.840 0.081 0.000 0.752 485 L CB -0.738 41.365 42.059 0.074 0.000 0.899 485 L HN 0.239 nan 8.230 nan 0.000 0.433 486 A N 0.157 123.055 122.820 0.129 0.000 1.902 486 A HA -0.223 4.095 4.320 -0.003 0.000 0.217 486 A C 2.174 179.866 177.584 0.181 0.000 1.181 486 A CA 1.704 53.828 52.037 0.145 0.000 0.623 486 A CB -0.409 18.607 19.000 0.027 0.000 0.818 486 A HN 0.468 nan 8.150 nan 0.000 0.443 487 E N -0.637 119.632 120.200 0.114 0.000 2.077 487 E HA -0.191 4.157 4.350 -0.003 0.000 0.193 487 E C 2.110 178.802 176.600 0.154 0.000 0.989 487 E CA 1.471 57.940 56.400 0.116 0.000 0.800 487 E CB -0.313 29.414 29.700 0.044 0.000 0.746 487 E HN 0.674 nan 8.360 nan 0.000 0.452 488 M N 0.713 120.409 119.600 0.160 0.000 2.086 488 M HA -0.198 4.280 4.480 -0.003 0.000 0.261 488 M C 2.126 178.592 176.300 0.276 0.000 1.067 488 M CA 1.628 57.043 55.300 0.191 0.000 1.116 488 M CB -0.245 32.489 32.600 0.224 0.000 1.348 488 M HN 0.051 nan 8.290 nan 0.000 0.407 489 E N -0.194 120.246 120.200 0.400 0.000 2.051 489 E HA -0.211 4.137 4.350 -0.003 0.000 0.192 489 E C 1.830 178.762 176.600 0.554 0.000 0.991 489 E CA 1.332 58.028 56.400 0.492 0.000 0.799 489 E CB -0.301 29.788 29.700 0.649 0.000 0.748 489 E HN 0.390 nan 8.360 nan 0.000 0.449 490 F N 1.560 121.700 119.950 0.317 0.000 2.171 490 F HA -0.137 4.389 4.527 -0.003 0.000 0.300 490 F C 2.183 178.011 175.800 0.046 0.000 1.090 490 F CA 1.248 59.312 58.000 0.107 0.000 1.293 490 F CB -0.404 38.544 39.000 -0.086 0.000 1.013 490 F HN -0.059 nan 8.300 nan 0.000 0.486 491 A N 0.258 123.059 122.820 -0.032 0.000 1.877 491 A HA 0.263 4.581 4.320 -0.003 0.000 0.216 491 A C 1.723 179.209 177.584 -0.163 0.000 1.186 491 A CA 1.430 53.345 52.037 -0.203 0.000 0.620 491 A CB -1.554 17.316 19.000 -0.217 0.000 0.822 491 A HN 1.038 nan 8.150 nan 0.000 0.443 492 G N -2.690 106.051 108.800 -0.099 0.000 2.855 492 G HA2 0.030 3.988 3.960 -0.003 0.000 0.352 492 G HA3 0.030 3.988 3.960 -0.003 0.000 0.352 492 G C -0.503 174.272 174.900 -0.209 0.000 1.415 492 G CA -0.337 44.546 45.100 -0.362 0.000 0.871 492 G HN 1.195 nan 8.290 nan 0.000 0.543 493 V N 0.542 120.337 119.914 -0.199 0.000 2.540 493 V HA 0.594 4.712 4.120 -0.003 0.000 0.302 493 V C 0.423 176.480 176.094 -0.062 0.000 1.035 493 V CA -0.764 61.510 62.300 -0.043 0.000 0.873 493 V CB 1.731 33.612 31.823 0.097 0.000 0.992 493 V HN 0.992 nan 8.190 nan 0.000 0.428 494 K N 3.312 123.689 120.400 -0.040 0.000 2.350 494 K HA 0.472 4.790 4.320 -0.003 0.000 0.279 494 K C -0.898 175.657 176.600 -0.076 0.000 1.027 494 K CA 0.152 56.399 56.287 -0.065 0.000 0.969 494 K CB 0.996 33.465 32.500 -0.051 0.000 0.954 494 K HN 0.462 nan 8.250 nan 0.000 0.474 495 V N 3.818 123.650 119.914 -0.136 0.000 2.604 495 V HA 0.170 4.287 4.120 -0.003 0.000 0.305 495 V C -0.700 175.303 176.094 -0.152 0.000 1.043 495 V CA -0.930 61.232 62.300 -0.231 0.000 0.888 495 V CB 1.744 33.386 31.823 -0.302 0.000 0.995 495 V HN 0.801 nan 8.190 nan 0.000 0.429 496 D N 3.175 123.489 120.400 -0.144 0.000 2.483 496 D HA 0.081 4.719 4.640 -0.003 0.000 0.220 496 D C 1.521 177.763 176.300 -0.097 0.000 1.173 496 D CA 0.299 54.246 54.000 -0.087 0.000 0.964 496 D CB 1.206 41.973 40.800 -0.056 0.000 1.046 496 D HN 0.768 nan 8.370 nan 0.000 0.517 497 T N 0.940 115.442 114.554 -0.087 0.000 2.788 497 T HA -0.166 4.182 4.350 -0.003 0.000 0.268 497 T C 1.683 176.350 174.700 -0.055 0.000 1.044 497 T CA 0.665 62.720 62.100 -0.075 0.000 1.139 497 T CB 0.098 68.930 68.868 -0.061 0.000 0.867 497 T HN 0.132 nan 8.240 nan 0.000 0.454 498 K N 1.160 121.532 120.400 -0.046 0.000 2.057 498 K HA -0.003 4.315 4.320 -0.003 0.000 0.207 498 K C 2.534 179.112 176.600 -0.037 0.000 1.049 498 K CA 1.475 57.740 56.287 -0.035 0.000 0.931 498 K CB -0.434 32.048 32.500 -0.029 0.000 0.714 498 K HN 0.372 nan 8.250 nan 0.000 0.440 499 R N 0.905 121.379 120.500 -0.042 0.000 2.081 499 R HA -0.087 4.251 4.340 -0.003 0.000 0.235 499 R C 2.270 178.544 176.300 -0.043 0.000 1.131 499 R CA 0.895 56.969 56.100 -0.043 0.000 0.960 499 R CB -0.525 29.748 30.300 -0.046 0.000 0.856 499 R HN 0.015 nan 8.270 nan 0.000 0.436 500 L N 1.197 122.389 121.223 -0.051 0.000 2.046 500 L HA -0.119 4.219 4.340 -0.003 0.000 0.208 500 L C 1.744 178.595 176.870 -0.031 0.000 1.077 500 L CA 1.888 56.702 54.840 -0.044 0.000 0.747 500 L CB -0.479 41.542 42.059 -0.064 0.000 0.896 500 L HN 0.300 nan 8.230 nan 0.000 0.432 501 E N -1.578 118.602 120.200 -0.033 0.000 2.150 501 E HA -0.265 4.083 4.350 -0.003 0.000 0.193 501 E C 2.037 178.623 176.600 -0.023 0.000 0.985 501 E CA 0.850 57.235 56.400 -0.026 0.000 0.814 501 E CB -0.060 29.625 29.700 -0.026 0.000 0.752 501 E HN 0.394 nan 8.360 nan 0.000 0.466 502 Q N 0.837 120.621 119.800 -0.026 0.000 2.123 502 Q HA -0.077 4.261 4.340 -0.003 0.000 0.199 502 Q C 1.951 177.936 176.000 -0.024 0.000 0.966 502 Q CA 1.483 57.272 55.803 -0.024 0.000 0.845 502 Q CB -0.015 28.707 28.738 -0.026 0.000 0.907 502 Q HN 0.269 nan 8.270 nan 0.000 0.439 503 M N -1.135 118.450 119.600 -0.025 0.000 2.117 503 M HA -0.041 4.437 4.480 -0.003 0.000 0.262 503 M C 2.094 178.382 176.300 -0.019 0.000 1.065 503 M CA 1.549 56.835 55.300 -0.023 0.000 1.114 503 M CB -0.698 31.890 32.600 -0.020 0.000 1.361 503 M HN 0.387 nan 8.290 nan 0.000 0.408 504 G N 0.782 109.572 108.800 -0.017 0.000 2.440 504 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.218 504 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.218 504 G C 1.582 176.469 174.900 -0.021 0.000 1.154 504 G CA 1.219 46.308 45.100 -0.018 0.000 0.767 504 G HN 0.439 nan 8.290 nan 0.000 0.552 505 K N 0.601 120.990 120.400 -0.020 0.000 2.026 505 K HA -0.122 4.195 4.320 -0.003 0.000 0.208 505 K C 2.420 179.008 176.600 -0.019 0.000 1.048 505 K CA 1.632 57.908 56.287 -0.018 0.000 0.929 505 K CB -0.218 32.272 32.500 -0.016 0.000 0.713 505 K HN 0.446 nan 8.250 nan 0.000 0.439 506 E N 0.698 120.886 120.200 -0.020 0.000 2.077 506 E HA -0.192 4.156 4.350 -0.003 0.000 0.193 506 E C 2.189 178.774 176.600 -0.024 0.000 0.989 506 E CA 1.197 57.586 56.400 -0.019 0.000 0.800 506 E CB -0.121 29.569 29.700 -0.017 0.000 0.746 506 E HN 0.316 nan 8.360 nan 0.000 0.452 507 L N 0.719 121.924 121.223 -0.030 0.000 2.056 507 L HA -0.162 4.176 4.340 -0.003 0.000 0.207 507 L C 2.632 179.468 176.870 -0.057 0.000 1.078 507 L CA 0.879 55.692 54.840 -0.047 0.000 0.749 507 L CB -0.481 41.550 42.059 -0.047 0.000 0.901 507 L HN 0.151 nan 8.230 nan 0.000 0.433 508 A N 0.013 122.808 122.820 -0.042 0.000 1.908 508 A HA -0.239 4.079 4.320 -0.003 0.000 0.218 508 A C 2.149 179.715 177.584 -0.031 0.000 1.181 508 A CA 1.809 53.824 52.037 -0.036 0.000 0.627 508 A CB -0.414 18.571 19.000 -0.024 0.000 0.818 508 A HN 0.480 nan 8.150 nan 0.000 0.445 509 E N -0.424 119.761 120.200 -0.026 0.000 2.028 509 E HA -0.222 4.126 4.350 -0.003 0.000 0.191 509 E C 2.325 178.910 176.600 -0.026 0.000 0.988 509 E CA 1.375 57.764 56.400 -0.019 0.000 0.799 509 E CB -0.268 29.425 29.700 -0.013 0.000 0.755 509 E HN 0.742 nan 8.360 nan 0.000 0.447 510 Q N 0.542 120.320 119.800 -0.037 0.000 2.124 510 Q HA -0.147 4.191 4.340 -0.003 0.000 0.202 510 Q C 2.393 178.338 176.000 -0.091 0.000 0.977 510 Q CA 0.992 56.763 55.803 -0.054 0.000 0.850 510 Q CB -0.132 28.570 28.738 -0.060 0.000 0.901 510 Q HN 0.302 nan 8.270 nan 0.000 0.429 511 L N -0.090 121.075 121.223 -0.096 0.000 2.046 511 L HA -0.133 4.205 4.340 -0.003 0.000 0.208 511 L C 2.426 179.292 176.870 -0.006 0.000 1.077 511 L CA 1.163 55.954 54.840 -0.081 0.000 0.747 511 L CB -0.781 41.213 42.059 -0.109 0.000 0.896 511 L HN 0.347 nan 8.230 nan 0.000 0.432 512 G N -1.020 107.771 108.800 -0.015 0.000 2.418 512 G HA2 -0.244 3.713 3.960 -0.003 0.000 0.217 512 G HA3 -0.244 3.713 3.960 -0.003 0.000 0.217 512 G C 1.564 176.448 174.900 -0.027 0.000 1.158 512 G CA 1.323 46.418 45.100 -0.008 0.000 0.771 512 G HN 0.285 nan 8.290 nan 0.000 0.545 513 T N 0.739 115.278 114.554 -0.025 0.000 2.737 513 T HA -0.093 4.255 4.350 -0.003 0.000 0.265 513 T C 2.566 177.243 174.700 -0.039 0.000 1.038 513 T CA 1.276 63.363 62.100 -0.022 0.000 1.144 513 T CB -0.263 68.602 68.868 -0.005 0.000 0.866 513 T HN 0.065 nan 8.240 nan 0.000 0.434 514 V N 1.392 121.280 119.914 -0.043 0.000 2.427 514 V HA -0.129 3.989 4.120 -0.003 0.000 0.248 514 V C 2.503 178.511 176.094 -0.143 0.000 1.051 514 V CA 1.562 63.836 62.300 -0.044 0.000 1.048 514 V CB -0.566 31.230 31.823 -0.044 0.000 0.666 514 V HN 0.530 nan 8.190 nan 0.000 0.456 515 E N -0.178 119.916 120.200 -0.177 0.000 2.058 515 E HA -0.265 4.083 4.350 -0.003 0.000 0.194 515 E C 2.355 178.527 176.600 -0.714 0.000 0.997 515 E CA 1.370 57.472 56.400 -0.496 0.000 0.801 515 E CB -0.005 29.515 29.700 -0.299 0.000 0.746 515 E HN 0.524 nan 8.360 nan 0.000 0.450 516 Q N 0.225 119.831 119.800 -0.323 0.000 2.084 516 Q HA -0.176 4.162 4.340 -0.003 0.000 0.202 516 Q C 2.211 178.141 176.000 -0.117 0.000 0.978 516 Q CA 1.198 56.910 55.803 -0.152 0.000 0.844 516 Q CB -0.437 28.291 28.738 -0.016 0.000 0.898 516 Q HN 0.088 nan 8.270 nan 0.000 0.426 517 R N 1.046 121.479 120.500 -0.110 0.000 2.096 517 R HA -0.038 4.300 4.340 -0.003 0.000 0.235 517 R C 2.113 178.381 176.300 -0.054 0.000 1.127 517 R CA 1.119 57.192 56.100 -0.046 0.000 0.968 517 R CB -0.631 29.657 30.300 -0.020 0.000 0.861 517 R HN 0.279 nan 8.270 nan 0.000 0.440 518 I N -0.337 120.126 120.570 -0.178 0.000 2.226 518 I HA -0.293 3.875 4.170 -0.003 0.000 0.245 518 I C 1.612 177.739 176.117 0.016 0.000 1.100 518 I CA 1.233 62.444 61.300 -0.149 0.000 1.374 518 I CB -0.378 37.398 38.000 -0.372 0.000 1.057 518 I HN 0.152 nan 8.210 nan 0.000 0.413 519 Y N 0.744 121.040 120.300 -0.008 0.000 2.242 519 Y HA -0.216 4.332 4.550 -0.004 0.000 0.291 519 Y C 2.563 178.499 175.900 0.060 0.000 1.137 519 Y CA 0.944 59.071 58.100 0.046 0.000 1.181 519 Y CB -1.005 37.445 38.460 -0.016 0.000 0.989 519 Y HN 0.258 nan 8.280 nan 0.000 0.527 520 E N 0.422 120.729 120.200 0.180 0.000 2.058 520 E HA -0.189 4.159 4.350 -0.003 0.000 0.194 520 E C 1.999 178.668 176.600 0.114 0.000 0.997 520 E CA 1.332 57.804 56.400 0.119 0.000 0.801 520 E CB -0.307 29.438 29.700 0.076 0.000 0.746 520 E HN 0.429 nan 8.360 nan 0.000 0.450 521 L N 0.071 121.366 121.223 0.119 0.000 2.141 521 L HA -0.077 4.261 4.340 -0.003 0.000 0.209 521 L C 2.502 179.458 176.870 0.144 0.000 1.094 521 L CA 0.830 55.763 54.840 0.155 0.000 0.763 521 L CB -0.253 41.916 42.059 0.184 0.000 0.908 521 L HN 0.195 nan 8.230 nan 0.000 0.437 522 A N -0.532 122.368 122.820 0.133 0.000 2.072 522 A HA 0.203 4.521 4.320 -0.003 0.000 0.216 522 A C 1.887 179.505 177.584 0.056 0.000 1.156 522 A CA 0.939 53.020 52.037 0.073 0.000 0.701 522 A CB -0.380 18.746 19.000 0.209 0.000 0.816 522 A HN 0.496 nan 8.150 nan 0.000 0.458 523 G N -1.222 107.636 108.800 0.096 0.000 2.159 523 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.256 523 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.256 523 G C -0.030 174.904 174.900 0.057 0.000 0.977 523 G CA 0.854 45.992 45.100 0.063 0.000 0.652 523 G HN 1.603 nan 8.290 nan 0.000 0.531 524 Q N -1.597 118.264 119.800 0.101 0.000 2.776 524 Q HA 0.593 4.931 4.340 -0.003 0.000 0.289 524 Q C -1.267 174.799 176.000 0.109 0.000 0.912 524 Q CA -0.885 54.958 55.803 0.066 0.000 0.789 524 Q CB 0.794 29.549 28.738 0.028 0.000 1.498 524 Q HN 0.274 nan 8.270 nan 0.000 0.408 525 E N 1.035 121.162 120.200 -0.122 0.000 2.266 525 E HA 0.640 4.988 4.350 -0.003 0.000 0.277 525 E C -1.311 175.215 176.600 -0.124 0.000 1.018 525 E CA -0.544 55.508 56.400 -0.580 0.000 0.840 525 E CB 0.775 29.995 29.700 -0.801 0.000 1.082 525 E HN 0.456 nan 8.360 nan 0.000 0.395 526 F N 1.013 120.776 119.950 -0.313 0.000 2.817 526 F HA 0.352 4.877 4.527 -0.004 0.000 0.317 526 F C -1.128 174.688 175.800 0.026 0.000 1.168 526 F CA -1.403 56.545 58.000 -0.086 0.000 0.911 526 F CB 0.632 39.617 39.000 -0.025 0.000 1.337 526 F HN 0.208 nan 8.300 nan 0.000 0.464 527 N N 1.991 120.732 118.700 0.068 0.000 2.415 527 N HA 0.256 4.994 4.740 -0.003 0.000 0.250 527 N C 0.870 176.364 175.510 -0.027 0.000 1.127 527 N CA 0.002 53.043 53.050 -0.014 0.000 0.945 527 N CB 0.486 39.013 38.487 0.067 0.000 1.196 527 N HN 0.793 nan 8.380 nan 0.000 0.499 528 I N 2.063 122.442 120.570 -0.318 0.000 2.361 528 I HA -0.237 3.931 4.170 -0.003 0.000 0.251 528 I C 1.289 177.433 176.117 0.046 0.000 1.133 528 I CA 0.742 61.881 61.300 -0.270 0.000 1.413 528 I CB -0.104 37.456 38.000 -0.734 0.000 1.073 528 I HN 0.411 nan 8.210 nan 0.000 0.424 529 N N 0.656 119.416 118.700 0.100 0.000 2.501 529 N HA -0.024 4.714 4.740 -0.003 0.000 0.195 529 N C 0.433 176.016 175.510 0.122 0.000 1.213 529 N CA 0.330 53.471 53.050 0.151 0.000 0.864 529 N CB 0.165 38.742 38.487 0.149 0.000 0.999 529 N HN 0.091 nan 8.380 nan 0.000 0.454 530 S N 1.027 116.807 115.700 0.133 0.000 2.488 530 S HA 0.358 4.826 4.470 -0.003 0.000 0.310 530 S C -1.772 172.918 174.600 0.151 0.000 1.093 530 S CA -1.713 56.565 58.200 0.129 0.000 1.129 530 S CB 1.218 64.495 63.200 0.128 0.000 0.989 530 S HN -0.112 nan 8.310 nan 0.000 0.479 531 P HA -0.158 nan 4.420 nan 0.000 0.218 531 P C 1.277 178.676 177.300 0.164 0.000 1.146 531 P CA 0.970 64.161 63.100 0.152 0.000 0.820 531 P CB 0.213 31.990 31.700 0.129 0.000 0.778 532 K N -0.036 120.443 120.400 0.133 0.000 1.984 532 K HA -0.175 4.143 4.320 -0.003 0.000 0.209 532 K C 2.121 178.800 176.600 0.132 0.000 1.046 532 K CA 1.452 57.813 56.287 0.124 0.000 0.934 532 K CB -0.283 32.267 32.500 0.082 0.000 0.717 532 K HN 0.105 nan 8.250 nan 0.000 0.438 533 Q N 0.371 120.249 119.800 0.131 0.000 2.119 533 Q HA -0.158 4.180 4.340 -0.003 0.000 0.201 533 Q C 2.140 178.172 176.000 0.054 0.000 0.972 533 Q CA 1.044 56.919 55.803 0.120 0.000 0.847 533 Q CB -0.093 28.774 28.738 0.216 0.000 0.903 533 Q HN 0.249 nan 8.270 nan 0.000 0.433 534 L N 0.572 121.884 121.223 0.148 0.000 2.056 534 L HA -0.013 4.325 4.340 -0.003 0.000 0.207 534 L C 2.095 178.921 176.870 -0.073 0.000 1.078 534 L CA 2.160 57.046 54.840 0.078 0.000 0.749 534 L CB -0.993 41.186 42.059 0.200 0.000 0.901 534 L HN 0.144 nan 8.230 nan 0.000 0.433 535 G N -1.056 107.807 108.800 0.103 0.000 2.422 535 G HA2 -0.191 3.767 3.960 -0.003 0.000 0.218 535 G HA3 -0.191 3.767 3.960 -0.003 0.000 0.218 535 G C 1.513 176.457 174.900 0.074 0.000 1.146 535 G CA 1.070 46.321 45.100 0.252 0.000 0.769 535 G HN 0.341 nan 8.290 nan 0.000 0.547 536 V N 1.461 121.412 119.914 0.061 0.000 2.358 536 V HA -0.133 3.985 4.120 -0.003 0.000 0.246 536 V C 2.789 178.756 176.094 -0.212 0.000 1.047 536 V CA 1.073 63.367 62.300 -0.011 0.000 1.035 536 V CB -0.326 31.492 31.823 -0.007 0.000 0.658 536 V HN 0.262 nan 8.190 nan 0.000 0.452 537 I N -0.220 120.126 120.570 -0.373 0.000 2.142 537 I HA -0.215 3.953 4.170 -0.003 0.000 0.240 537 I C 2.365 178.191 176.117 -0.486 0.000 1.078 537 I CA 1.878 62.873 61.300 -0.508 0.000 1.343 537 I CB -1.039 36.426 38.000 -0.891 0.000 1.046 537 I HN 0.273 nan 8.210 nan 0.000 0.405 538 L N -0.667 120.190 121.223 -0.609 0.000 2.027 538 L HA -0.171 4.167 4.340 -0.003 0.000 0.206 538 L C 2.264 178.609 176.870 -0.875 0.000 1.074 538 L CA 1.424 55.760 54.840 -0.841 0.000 0.745 538 L CB -0.606 40.699 42.059 -1.256 0.000 0.898 538 L HN 0.101 nan 8.230 nan 0.000 0.433 539 F N -0.980 118.737 119.950 -0.388 0.000 2.749 539 F HA 0.110 4.635 4.527 -0.003 0.000 0.300 539 F C 2.072 177.655 175.800 -0.361 0.000 1.103 539 F CA 0.071 57.780 58.000 -0.486 0.000 1.342 539 F CB -0.094 38.325 39.000 -0.968 0.000 1.098 539 F HN 0.028 nan 8.300 nan 0.000 0.586 540 E N -0.008 120.091 120.200 -0.169 0.000 2.476 540 E HA 0.018 4.366 4.350 -0.003 0.000 0.193 540 E C 1.851 178.387 176.600 -0.106 0.000 0.966 540 E CA -0.033 56.315 56.400 -0.087 0.000 1.114 540 E CB 0.144 29.828 29.700 -0.027 0.000 1.151 540 E HN 0.087 nan 8.360 nan 0.000 0.487 541 K N 1.122 121.432 120.400 -0.150 0.000 2.025 541 K HA -0.031 4.287 4.320 -0.003 0.000 0.207 541 K C 1.873 178.387 176.600 -0.144 0.000 1.049 541 K CA 1.004 57.207 56.287 -0.140 0.000 0.933 541 K CB 0.110 32.505 32.500 -0.175 0.000 0.714 541 K HN 0.051 nan 8.250 nan 0.000 0.438 542 L N 0.583 121.680 121.223 -0.210 0.000 2.567 542 L HA 0.055 4.393 4.340 -0.003 0.000 0.225 542 L C 0.169 176.955 176.870 -0.140 0.000 1.119 542 L CA 0.033 54.754 54.840 -0.199 0.000 0.871 542 L CB 0.195 42.040 42.059 -0.357 0.000 1.036 542 L HN 0.281 nan 8.230 nan 0.000 0.459 543 Q N 0.284 120.002 119.800 -0.137 0.000 2.481 543 Q HA -0.190 4.148 4.340 -0.003 0.000 0.272 543 Q C -0.071 175.866 176.000 -0.104 0.000 1.157 543 Q CA 0.826 56.572 55.803 -0.094 0.000 0.935 543 Q CB -2.166 26.535 28.738 -0.061 0.000 1.338 543 Q HN 0.485 nan 8.270 nan 0.000 0.494 544 L N 1.834 122.979 121.223 -0.131 0.000 2.467 544 L HA 0.215 4.553 4.340 -0.003 0.000 0.270 544 L C -1.226 175.637 176.870 -0.012 0.000 1.205 544 L CA -1.411 53.351 54.840 -0.129 0.000 0.828 544 L CB -0.224 41.747 42.059 -0.147 0.000 1.101 544 L HN -0.086 nan 8.230 nan 0.000 0.479 545 P HA 0.045 nan 4.420 nan 0.000 0.271 545 P C -0.712 176.560 177.300 -0.048 0.000 1.216 545 P CA -0.230 62.799 63.100 -0.118 0.000 0.776 545 P CB 1.025 32.594 31.700 -0.219 0.000 0.881 546 V N 5.240 125.060 119.914 -0.157 0.000 2.353 546 V HA 0.071 4.189 4.120 -0.003 0.000 0.264 546 V C 1.663 177.656 176.094 -0.168 0.000 1.049 546 V CA 0.098 62.194 62.300 -0.340 0.000 0.896 546 V CB 0.202 31.827 31.823 -0.330 0.000 1.025 546 V HN 0.477 nan 8.190 nan 0.000 0.475 547 L N 3.324 124.472 121.223 -0.125 0.000 2.354 547 L HA 0.320 4.658 4.340 -0.003 0.000 0.212 547 L C 0.987 177.831 176.870 -0.043 0.000 1.091 547 L CA 0.656 55.471 54.840 -0.043 0.000 0.828 547 L CB 0.078 42.147 42.059 0.016 0.000 0.973 547 L HN 0.537 nan 8.230 nan 0.000 0.461 548 K N 0.269 120.623 120.400 -0.076 0.000 2.523 548 K HA 0.376 4.694 4.320 -0.003 0.000 0.257 548 K C -1.278 175.280 176.600 -0.069 0.000 0.932 548 K CA -0.722 55.536 56.287 -0.048 0.000 0.812 548 K CB 2.271 34.766 32.500 -0.008 0.000 1.326 548 K HN -0.312 nan 8.250 nan 0.000 0.433 549 K N 1.470 121.841 120.400 -0.048 0.000 2.267 549 K HA 0.399 4.716 4.320 -0.003 0.000 0.246 549 K C -0.399 176.179 176.600 -0.037 0.000 0.954 549 K CA -0.525 55.731 56.287 -0.052 0.000 0.824 549 K CB 2.028 34.490 32.500 -0.063 0.000 1.167 549 K HN 0.929 nan 8.250 nan 0.000 0.431 550 T N -2.749 111.780 114.554 -0.041 0.000 2.938 550 T HA 0.296 4.644 4.350 -0.003 0.000 0.285 550 T C 1.201 175.874 174.700 -0.046 0.000 1.028 550 T CA -0.741 61.343 62.100 -0.027 0.000 1.005 550 T CB 1.685 70.550 68.868 -0.005 0.000 1.157 550 T HN 0.558 nan 8.240 nan 0.000 0.550 551 K N -0.023 120.356 120.400 -0.034 0.000 2.113 551 K HA -0.152 4.166 4.320 -0.003 0.000 0.208 551 K C 1.721 178.291 176.600 -0.050 0.000 1.047 551 K CA 2.050 58.314 56.287 -0.039 0.000 0.928 551 K CB -0.563 31.921 32.500 -0.027 0.000 0.716 551 K HN 0.837 nan 8.250 nan 0.000 0.446 552 T N -3.989 110.534 114.554 -0.052 0.000 3.044 552 T HA 0.399 4.747 4.350 -0.003 0.000 0.260 552 T C 0.556 175.188 174.700 -0.114 0.000 1.019 552 T CA -0.027 62.033 62.100 -0.066 0.000 0.921 552 T CB 1.156 70.000 68.868 -0.040 0.000 1.053 552 T HN 0.322 nan 8.240 nan 0.000 0.533 553 G N 0.259 108.974 108.800 -0.142 0.000 2.485 553 G HA2 0.430 4.388 3.960 -0.003 0.000 0.182 553 G HA3 0.430 4.388 3.960 -0.003 0.000 0.182 553 G C -1.932 172.813 174.900 -0.258 0.000 1.172 553 G CA -0.969 43.962 45.100 -0.282 0.000 0.996 553 G HN 0.179 nan 8.290 nan 0.000 0.496 554 Y N 0.895 121.180 120.300 -0.025 0.000 2.299 554 Y HA 0.656 5.204 4.550 -0.003 0.000 0.326 554 Y C 1.068 176.958 175.900 -0.016 0.000 1.164 554 Y CA -0.337 57.694 58.100 -0.116 0.000 1.234 554 Y CB 1.702 40.083 38.460 -0.131 0.000 1.219 554 Y HN 0.383 nan 8.280 nan 0.000 0.497 555 S N 0.925 116.678 115.700 0.089 0.000 2.545 555 S HA 0.275 4.743 4.470 -0.003 0.000 0.275 555 S C 0.601 175.337 174.600 0.226 0.000 1.299 555 S CA -0.066 58.203 58.200 0.114 0.000 1.048 555 S CB 0.093 63.325 63.200 0.053 0.000 0.938 555 S HN 0.846 nan 8.310 nan 0.000 0.496 556 T N 0.465 115.150 114.554 0.218 0.000 3.288 556 T HA 0.289 4.637 4.350 -0.003 0.000 0.293 556 T C 0.377 175.174 174.700 0.161 0.000 1.008 556 T CA -0.141 62.102 62.100 0.237 0.000 0.929 556 T CB -0.591 68.413 68.868 0.227 0.000 1.152 556 T HN 0.628 nan 8.240 nan 0.000 0.517 557 S N 0.745 116.524 115.700 0.131 0.000 2.576 557 S HA 0.588 5.055 4.470 -0.003 0.000 0.272 557 S C 1.912 176.572 174.600 0.100 0.000 1.352 557 S CA -0.230 58.031 58.200 0.101 0.000 1.021 557 S CB 0.883 64.131 63.200 0.080 0.000 0.887 557 S HN 0.543 nan 8.310 nan 0.000 0.542 558 A N 2.142 125.013 122.820 0.084 0.000 1.892 558 A HA -0.230 4.088 4.320 -0.003 0.000 0.218 558 A C 1.998 179.625 177.584 0.072 0.000 1.188 558 A CA 1.941 54.025 52.037 0.077 0.000 0.631 558 A CB -1.298 17.739 19.000 0.062 0.000 0.822 558 A HN 1.024 nan 8.150 nan 0.000 0.447 559 D N 0.024 120.462 120.400 0.063 0.000 2.149 559 D HA -0.137 4.501 4.640 -0.003 0.000 0.198 559 D C 1.856 178.200 176.300 0.073 0.000 0.990 559 D CA 1.752 55.786 54.000 0.058 0.000 0.839 559 D CB -0.906 39.923 40.800 0.049 0.000 0.948 559 D HN 0.294 nan 8.370 nan 0.000 0.460 560 V N 1.217 121.185 119.914 0.089 0.000 2.323 560 V HA -0.182 3.936 4.120 -0.003 0.000 0.244 560 V C 2.892 179.066 176.094 0.134 0.000 1.041 560 V CA 0.990 63.357 62.300 0.111 0.000 1.025 560 V CB -0.565 31.335 31.823 0.128 0.000 0.656 560 V HN 0.171 nan 8.190 nan 0.000 0.451 561 L N -0.172 121.129 121.223 0.131 0.000 2.042 561 L HA -0.230 4.108 4.340 -0.003 0.000 0.210 561 L C 2.582 179.516 176.870 0.107 0.000 1.076 561 L CA 1.770 56.684 54.840 0.124 0.000 0.749 561 L CB -0.764 41.360 42.059 0.107 0.000 0.893 561 L HN 0.413 nan 8.230 nan 0.000 0.432 562 E N 0.382 120.634 120.200 0.087 0.000 2.118 562 E HA -0.248 4.100 4.350 -0.003 0.000 0.195 562 E C 2.094 178.738 176.600 0.073 0.000 0.992 562 E CA 1.256 57.697 56.400 0.067 0.000 0.804 562 E CB -0.053 29.677 29.700 0.050 0.000 0.741 562 E HN 0.480 nan 8.360 nan 0.000 0.458 563 K N 0.256 120.713 120.400 0.095 0.000 2.288 563 K HA -0.021 4.297 4.320 -0.003 0.000 0.201 563 K C 1.825 178.531 176.600 0.176 0.000 1.048 563 K CA 0.600 56.953 56.287 0.111 0.000 0.956 563 K CB 0.151 32.721 32.500 0.117 0.000 0.746 563 K HN 0.145 nan 8.250 nan 0.000 0.461 564 L N -0.155 121.191 121.223 0.205 0.000 2.529 564 L HA 0.144 4.482 4.340 -0.003 0.000 0.223 564 L C 2.303 179.322 176.870 0.249 0.000 1.113 564 L CA -0.055 54.980 54.840 0.325 0.000 0.861 564 L CB -0.298 41.910 42.059 0.248 0.000 1.012 564 L HN 0.069 nan 8.230 nan 0.000 0.461 565 A N 1.600 124.496 122.820 0.126 0.000 1.903 565 A HA -0.166 4.152 4.320 -0.003 0.000 0.219 565 A C -0.009 177.594 177.584 0.031 0.000 1.191 565 A CA 1.890 53.973 52.037 0.077 0.000 0.638 565 A CB -1.757 17.268 19.000 0.042 0.000 0.823 565 A HN 0.281 nan 8.150 nan 0.000 0.451 566 P HA -0.139 nan 4.420 nan 0.000 0.219 566 P C 0.669 177.850 177.300 -0.198 0.000 1.146 566 P CA 1.051 64.039 63.100 -0.187 0.000 0.808 566 P CB -0.155 31.347 31.700 -0.330 0.000 0.779 567 Y N -2.843 117.484 120.300 0.044 0.000 2.337 567 Y HA 0.033 4.581 4.550 -0.003 0.000 0.293 567 Y C 1.490 177.446 175.900 0.094 0.000 1.123 567 Y CA 1.040 59.175 58.100 0.058 0.000 1.201 567 Y CB -0.125 38.375 38.460 0.067 0.000 1.011 567 Y HN 0.046 nan 8.280 nan 0.000 0.545 568 H N -0.853 118.294 119.070 0.128 0.000 3.086 568 H HA 0.118 4.672 4.556 -0.003 0.000 0.353 568 H C 0.183 175.533 175.328 0.036 0.000 1.134 568 H CA -0.505 55.581 56.048 0.063 0.000 1.248 568 H CB 1.679 31.467 29.762 0.043 0.000 1.878 568 H HN 0.190 nan 8.280 nan 0.000 0.527 569 E N 3.814 124.014 120.200 0.000 0.000 2.265 569 E HA -0.103 4.245 4.350 -0.003 0.000 0.196 569 E C 1.713 178.426 176.600 0.188 0.000 0.996 569 E CA 0.767 57.207 56.400 0.067 0.000 0.832 569 E CB 0.257 29.939 29.700 -0.029 0.000 0.756 569 E HN 0.624 nan 8.360 nan 0.000 0.491 570 I N -0.050 120.768 120.570 0.415 0.000 2.361 570 I HA -0.243 3.925 4.170 -0.003 0.000 0.251 570 I C 1.854 178.036 176.117 0.108 0.000 1.133 570 I CA 0.608 62.028 61.300 0.199 0.000 1.413 570 I CB 0.128 38.160 38.000 0.053 0.000 1.073 570 I HN 0.039 nan 8.210 nan 0.000 0.424 571 V N 2.224 122.206 119.914 0.114 0.000 2.255 571 V HA -0.330 3.788 4.120 -0.003 0.000 0.247 571 V C 2.449 178.594 176.094 0.086 0.000 1.051 571 V CA 2.454 64.803 62.300 0.081 0.000 1.018 571 V CB -1.144 30.736 31.823 0.094 0.000 0.641 571 V HN 0.638 nan 8.190 nan 0.000 0.445 572 E N 0.449 120.699 120.200 0.083 0.000 2.160 572 E HA -0.258 4.090 4.350 -0.003 0.000 0.195 572 E C 1.881 178.543 176.600 0.104 0.000 0.991 572 E CA 1.709 58.153 56.400 0.072 0.000 0.810 572 E CB -0.485 29.240 29.700 0.042 0.000 0.742 572 E HN 0.618 nan 8.360 nan 0.000 0.466 573 N N 0.746 119.510 118.700 0.107 0.000 2.188 573 N HA -0.081 4.657 4.740 -0.003 0.000 0.184 573 N C 1.854 177.448 175.510 0.140 0.000 1.018 573 N CA 1.028 54.157 53.050 0.131 0.000 0.858 573 N CB -0.012 38.522 38.487 0.079 0.000 0.989 573 N HN 0.255 nan 8.380 nan 0.000 0.426 574 I N 1.616 122.250 120.570 0.107 0.000 2.252 574 I HA -0.175 3.993 4.170 -0.003 0.000 0.245 574 I C 2.355 178.577 176.117 0.175 0.000 1.102 574 I CA 0.755 62.125 61.300 0.117 0.000 1.385 574 I CB -1.112 36.939 38.000 0.085 0.000 1.064 574 I HN 0.088 nan 8.210 nan 0.000 0.414 575 L N -0.338 120.974 121.223 0.148 0.000 2.046 575 L HA -0.268 4.070 4.340 -0.003 0.000 0.208 575 L C 2.727 179.708 176.870 0.185 0.000 1.077 575 L CA 1.518 56.443 54.840 0.141 0.000 0.747 575 L CB -0.810 41.311 42.059 0.104 0.000 0.896 575 L HN 0.357 nan 8.230 nan 0.000 0.432 576 H N -1.451 117.663 119.070 0.074 0.000 2.353 576 H HA -0.263 4.291 4.556 -0.003 0.000 0.300 576 H C 2.315 177.684 175.328 0.067 0.000 1.090 576 H CA 1.721 57.803 56.048 0.057 0.000 1.327 576 H CB 0.112 29.903 29.762 0.049 0.000 1.383 576 H HN 0.302 nan 8.280 nan 0.000 0.508 577 Y N 1.536 121.825 120.300 -0.017 0.000 2.181 577 Y HA -0.201 4.347 4.550 -0.003 0.000 0.288 577 Y C 2.580 178.451 175.900 -0.049 0.000 1.146 577 Y CA 1.367 59.402 58.100 -0.108 0.000 1.164 577 Y CB -0.123 38.279 38.460 -0.097 0.000 0.982 577 Y HN 0.053 nan 8.280 nan 0.000 0.515 578 R N 0.313 120.873 120.500 0.100 0.000 2.081 578 R HA -0.220 4.118 4.340 -0.003 0.000 0.235 578 R C 2.305 178.592 176.300 -0.021 0.000 1.131 578 R CA 1.796 57.920 56.100 0.040 0.000 0.960 578 R CB -0.724 29.642 30.300 0.111 0.000 0.856 578 R HN 0.570 nan 8.270 nan 0.000 0.436 579 Q N 0.663 120.474 119.800 0.019 0.000 2.016 579 Q HA -0.104 4.234 4.340 -0.003 0.000 0.200 579 Q C 2.266 178.251 176.000 -0.025 0.000 0.978 579 Q CA 1.247 57.068 55.803 0.030 0.000 0.833 579 Q CB -0.035 28.760 28.738 0.096 0.000 0.895 579 Q HN 0.277 nan 8.270 nan 0.000 0.427 580 L N -0.158 121.005 121.223 -0.099 0.000 2.046 580 L HA -0.106 4.232 4.340 -0.003 0.000 0.208 580 L C 2.515 179.267 176.870 -0.197 0.000 1.077 580 L CA 1.123 55.869 54.840 -0.156 0.000 0.747 580 L CB -0.869 41.029 42.059 -0.268 0.000 0.896 580 L HN 0.421 nan 8.230 nan 0.000 0.432 581 G N 0.154 108.752 108.800 -0.336 0.000 2.418 581 G HA2 -0.318 3.640 3.960 -0.003 0.000 0.217 581 G HA3 -0.318 3.640 3.960 -0.003 0.000 0.217 581 G C 1.656 176.467 174.900 -0.148 0.000 1.158 581 G CA 0.974 45.872 45.100 -0.337 0.000 0.771 581 G HN 0.197 nan 8.290 nan 0.000 0.545 582 K N 0.454 120.807 120.400 -0.079 0.000 2.026 582 K HA 0.069 4.387 4.320 -0.003 0.000 0.208 582 K C 2.463 179.113 176.600 0.083 0.000 1.048 582 K CA 0.972 57.263 56.287 0.007 0.000 0.929 582 K CB -0.572 31.968 32.500 0.067 0.000 0.713 582 K HN 0.350 nan 8.250 nan 0.000 0.439 583 L N 0.212 121.501 121.223 0.110 0.000 2.046 583 L HA -0.190 4.148 4.340 -0.003 0.000 0.208 583 L C 2.703 179.636 176.870 0.105 0.000 1.077 583 L CA 1.526 56.479 54.840 0.188 0.000 0.747 583 L CB -0.548 41.563 42.059 0.087 0.000 0.896 583 L HN 0.323 nan 8.230 nan 0.000 0.432 584 Q N 0.080 119.883 119.800 0.006 0.000 1.993 584 Q HA -0.155 4.183 4.340 -0.003 0.000 0.202 584 Q C 2.315 178.299 176.000 -0.028 0.000 0.984 584 Q CA 2.419 58.209 55.803 -0.022 0.000 0.837 584 Q CB -0.156 28.540 28.738 -0.071 0.000 0.902 584 Q HN 0.309 nan 8.270 nan 0.000 0.423 585 S N -0.720 114.947 115.700 -0.055 0.000 2.355 585 S HA -0.092 4.376 4.470 -0.003 0.000 0.222 585 S C 1.946 176.489 174.600 -0.095 0.000 1.031 585 S CA 1.541 59.702 58.200 -0.065 0.000 0.993 585 S CB -0.463 62.696 63.200 -0.069 0.000 0.859 585 S HN 0.505 nan 8.310 nan 0.000 0.453 586 T N 0.428 114.888 114.554 -0.157 0.000 2.852 586 T HA 0.076 4.424 4.350 -0.003 0.000 0.256 586 T C 1.230 175.694 174.700 -0.393 0.000 1.038 586 T CA 0.911 62.803 62.100 -0.346 0.000 1.141 586 T CB -0.264 68.243 68.868 -0.602 0.000 0.869 586 T HN 0.406 nan 8.240 nan 0.000 0.439 587 Y N -0.015 120.297 120.300 0.021 0.000 2.497 587 Y HA 0.338 4.886 4.550 -0.003 0.000 0.265 587 Y C 1.857 177.779 175.900 0.037 0.000 1.111 587 Y CA -0.363 57.765 58.100 0.046 0.000 1.288 587 Y CB 0.118 38.608 38.460 0.051 0.000 1.082 587 Y HN 0.145 nan 8.280 nan 0.000 0.536 588 I N -0.386 120.256 120.570 0.120 0.000 3.098 588 I HA -0.035 4.133 4.170 -0.003 0.000 0.241 588 I C 1.879 178.009 176.117 0.021 0.000 1.081 588 I CA 0.836 62.173 61.300 0.062 0.000 1.487 588 I CB -0.971 37.050 38.000 0.034 0.000 1.366 588 I HN 0.141 nan 8.210 nan 0.000 0.463 589 E N 1.253 121.453 120.200 0.001 0.000 2.110 589 E HA -0.130 4.218 4.350 -0.003 0.000 0.193 589 E C 2.168 178.758 176.600 -0.017 0.000 0.988 589 E CA 1.263 57.654 56.400 -0.014 0.000 0.804 589 E CB -0.308 29.378 29.700 -0.023 0.000 0.745 589 E HN 0.550 nan 8.360 nan 0.000 0.458 590 G N 1.651 110.434 108.800 -0.028 0.000 2.421 590 G HA2 -0.237 3.721 3.960 -0.003 0.000 0.216 590 G HA3 -0.237 3.721 3.960 -0.003 0.000 0.216 590 G C 1.616 176.514 174.900 -0.003 0.000 1.171 590 G CA 0.475 45.554 45.100 -0.036 0.000 0.775 590 G HN 0.069 nan 8.290 nan 0.000 0.543 591 L N -0.113 121.128 121.223 0.030 0.000 2.027 591 L HA 0.025 4.363 4.340 -0.003 0.000 0.206 591 L C 2.921 179.794 176.870 0.003 0.000 1.074 591 L CA 0.545 55.413 54.840 0.048 0.000 0.745 591 L CB -0.371 41.741 42.059 0.087 0.000 0.898 591 L HN 0.181 nan 8.230 nan 0.000 0.433 592 L N -0.332 120.885 121.223 -0.009 0.000 2.127 592 L HA -0.256 4.082 4.340 -0.003 0.000 0.211 592 L C 2.531 179.390 176.870 -0.018 0.000 1.089 592 L CA 1.312 56.139 54.840 -0.022 0.000 0.757 592 L CB -0.470 41.576 42.059 -0.022 0.000 0.899 592 L HN 0.253 nan 8.230 nan 0.000 0.434 593 K N -0.340 120.052 120.400 -0.014 0.000 2.211 593 K HA -0.100 4.218 4.320 -0.003 0.000 0.203 593 K C 1.679 178.272 176.600 -0.012 0.000 1.050 593 K CA 1.478 57.756 56.287 -0.014 0.000 0.945 593 K CB 0.044 32.535 32.500 -0.016 0.000 0.732 593 K HN 0.373 nan 8.250 nan 0.000 0.451 594 V N -2.423 117.487 119.914 -0.007 0.000 3.578 594 V HA 0.151 4.269 4.120 -0.003 0.000 0.290 594 V C 0.620 176.714 176.094 -0.000 0.000 1.376 594 V CA -0.506 61.792 62.300 -0.003 0.000 1.083 594 V CB 0.148 31.973 31.823 0.004 0.000 0.911 594 V HN -0.210 nan 8.190 nan 0.000 0.433 595 V N 3.084 122.992 119.914 -0.011 0.000 2.637 595 V HA 0.255 4.373 4.120 -0.003 0.000 0.296 595 V C 0.791 176.885 176.094 -0.000 0.000 1.046 595 V CA -0.241 62.048 62.300 -0.019 0.000 1.066 595 V CB 0.571 32.368 31.823 -0.044 0.000 0.968 595 V HN 0.508 nan 8.190 nan 0.000 0.483 596 R N 5.631 126.147 120.500 0.026 0.000 2.248 596 R HA 0.188 4.526 4.340 -0.003 0.000 0.328 596 R C -1.836 174.478 176.300 0.023 0.000 1.067 596 R CA -1.622 54.505 56.100 0.045 0.000 0.924 596 R CB 0.662 31.037 30.300 0.125 0.000 1.013 596 R HN 0.482 nan 8.270 nan 0.000 0.454 597 P HA -0.207 nan 4.420 nan 0.000 0.217 597 P C 0.757 178.061 177.300 0.007 0.000 1.148 597 P CA 1.330 64.430 63.100 0.001 0.000 0.828 597 P CB 0.224 31.923 31.700 -0.002 0.000 0.783 598 D N -1.519 118.894 120.400 0.021 0.000 2.162 598 D HA -0.090 4.548 4.640 -0.003 0.000 0.203 598 D C 1.463 177.775 176.300 0.020 0.000 0.967 598 D CA 1.953 55.967 54.000 0.024 0.000 0.840 598 D CB -1.278 39.546 40.800 0.039 0.000 0.972 598 D HN 0.241 nan 8.370 nan 0.000 0.482 599 T N -3.790 110.783 114.554 0.032 0.000 2.985 599 T HA 0.161 4.509 4.350 -0.003 0.000 0.254 599 T C 0.704 175.394 174.700 -0.016 0.000 1.021 599 T CA -0.346 61.761 62.100 0.012 0.000 0.957 599 T CB 0.317 69.211 68.868 0.043 0.000 1.047 599 T HN -0.145 nan 8.240 nan 0.000 0.511 600 K N 0.820 121.213 120.400 -0.013 0.000 3.160 600 K HA -0.112 4.206 4.320 -0.003 0.000 0.280 600 K C -0.492 176.066 176.600 -0.070 0.000 1.154 600 K CA 0.714 56.976 56.287 -0.042 0.000 0.822 600 K CB -1.850 30.619 32.500 -0.051 0.000 1.239 600 K HN 0.591 nan 8.250 nan 0.000 0.489 601 K N 0.173 120.534 120.400 -0.065 0.000 2.208 601 K HA 0.565 4.883 4.320 -0.003 0.000 0.247 601 K C 0.225 176.711 176.600 -0.190 0.000 0.953 601 K CA -0.848 55.340 56.287 -0.166 0.000 0.837 601 K CB 2.106 34.446 32.500 -0.265 0.000 1.131 601 K HN 0.017 nan 8.250 nan 0.000 0.431 602 V N -0.843 118.918 119.914 -0.255 0.000 2.513 602 V HA 0.433 4.551 4.120 -0.003 0.000 0.299 602 V C -0.603 175.268 176.094 -0.372 0.000 1.035 602 V CA -0.695 61.502 62.300 -0.172 0.000 0.889 602 V CB 1.495 33.305 31.823 -0.022 0.000 0.988 602 V HN 0.719 nan 8.190 nan 0.000 0.440 603 H N 2.337 121.331 119.070 -0.128 0.000 2.786 603 H HA 0.387 4.941 4.556 -0.003 0.000 0.284 603 H C 0.237 175.448 175.328 -0.196 0.000 1.104 603 H CA -0.199 55.683 56.048 -0.278 0.000 1.339 603 H CB 1.686 31.024 29.762 -0.707 0.000 1.427 603 H HN 0.875 nan 8.280 nan 0.000 0.497 604 T N 2.551 117.080 114.554 -0.043 0.000 2.726 604 T HA 0.364 4.712 4.350 -0.003 0.000 0.294 604 T C 0.538 175.227 174.700 -0.018 0.000 1.013 604 T CA -0.265 61.771 62.100 -0.106 0.000 0.996 604 T CB 0.333 68.998 68.868 -0.338 0.000 1.016 604 T HN 0.425 nan 8.240 nan 0.000 0.529 605 I N 2.569 123.052 120.570 -0.145 0.000 2.439 605 I HA 0.318 4.486 4.170 -0.003 0.000 0.285 605 I C -1.023 175.010 176.117 -0.140 0.000 1.021 605 I CA -0.722 60.529 61.300 -0.081 0.000 1.091 605 I CB 1.413 39.302 38.000 -0.185 0.000 1.242 605 I HN 0.517 nan 8.210 nan 0.000 0.439 606 F N 4.854 124.876 119.950 0.120 0.000 2.424 606 F HA 0.236 4.760 4.527 -0.004 0.000 0.356 606 F C 0.901 176.738 175.800 0.063 0.000 1.110 606 F CA -0.353 57.698 58.000 0.084 0.000 1.161 606 F CB 0.406 39.454 39.000 0.080 0.000 1.115 606 F HN 0.404 nan 8.300 nan 0.000 0.507 607 N N 3.702 122.524 118.700 0.204 0.000 2.415 607 N HA 0.013 4.751 4.740 -0.003 0.000 0.246 607 N C 0.521 176.058 175.510 0.044 0.000 1.078 607 N CA 0.197 53.306 53.050 0.098 0.000 0.942 607 N CB 0.838 39.364 38.487 0.065 0.000 1.140 607 N HN 0.767 nan 8.380 nan 0.000 0.501 608 Q N 2.617 122.397 119.800 -0.034 0.000 2.360 608 Q HA 0.195 4.533 4.340 -0.003 0.000 0.202 608 Q C -0.259 175.435 176.000 -0.509 0.000 0.915 608 Q CA 0.167 55.886 55.803 -0.141 0.000 0.943 608 Q CB 0.367 29.053 28.738 -0.088 0.000 1.064 608 Q HN 0.633 nan 8.270 nan 0.000 0.511 609 A N 0.446 122.909 122.820 -0.595 0.000 2.959 609 A HA 0.282 4.600 4.320 -0.003 0.000 0.280 609 A C 0.019 177.245 177.584 -0.597 0.000 0.953 609 A CA -0.258 51.064 52.037 -1.192 0.000 1.047 609 A CB 0.318 18.945 19.000 -0.622 0.000 1.147 609 A HN 0.364 nan 8.150 nan 0.000 0.489 610 L N -0.307 120.734 121.223 -0.303 0.000 2.638 610 L HA 0.303 4.641 4.340 -0.003 0.000 0.195 610 L C 1.247 178.267 176.870 0.250 0.000 1.065 610 L CA 1.842 56.718 54.840 0.060 0.000 0.859 610 L CB 0.070 42.163 42.059 0.056 0.000 1.269 610 L HN 0.344 nan 8.230 nan 0.000 0.484 611 T N -1.636 113.074 114.554 0.260 0.000 2.926 611 T HA 0.046 4.394 4.350 -0.003 0.000 0.307 611 T C 0.619 175.498 174.700 0.299 0.000 1.059 611 T CA -0.121 62.138 62.100 0.264 0.000 1.122 611 T CB 0.657 69.656 68.868 0.218 0.000 0.972 611 T HN 0.414 nan 8.240 nan 0.000 0.545 612 Q N 0.764 120.676 119.800 0.186 0.000 2.403 612 Q HA 0.042 4.380 4.340 -0.003 0.000 0.203 612 Q C 1.790 177.829 176.000 0.064 0.000 0.932 612 Q CA 0.711 56.580 55.803 0.111 0.000 0.945 612 Q CB 0.175 28.979 28.738 0.110 0.000 1.045 612 Q HN 1.022 nan 8.270 nan 0.000 0.511 613 T N -5.097 109.513 114.554 0.094 0.000 3.014 613 T HA 0.269 4.617 4.350 -0.003 0.000 0.250 613 T C 1.386 176.127 174.700 0.067 0.000 1.060 613 T CA 0.584 62.719 62.100 0.059 0.000 1.040 613 T CB 0.757 69.661 68.868 0.060 0.000 0.971 613 T HN 0.303 nan 8.240 nan 0.000 0.497 614 G N 1.590 110.474 108.800 0.140 0.000 2.176 614 G HA2 -0.219 3.739 3.960 -0.003 0.000 0.232 614 G HA3 -0.219 3.739 3.960 -0.003 0.000 0.232 614 G C 0.173 175.182 174.900 0.181 0.000 0.986 614 G CA -0.253 44.952 45.100 0.175 0.000 0.643 614 G HN 0.657 nan 8.290 nan 0.000 0.522 615 R N -0.428 120.177 120.500 0.174 0.000 2.637 615 R HA 0.698 5.036 4.340 -0.003 0.000 0.269 615 R C 0.780 177.205 176.300 0.209 0.000 1.089 615 R CA -0.345 55.870 56.100 0.191 0.000 1.177 615 R CB 0.536 30.947 30.300 0.184 0.000 1.091 615 R HN 0.253 nan 8.270 nan 0.000 0.540 616 L N 0.482 121.840 121.223 0.225 0.000 2.375 616 L HA 0.432 4.770 4.340 -0.003 0.000 0.268 616 L C 0.271 177.312 176.870 0.286 0.000 1.058 616 L CA -0.483 54.478 54.840 0.202 0.000 0.803 616 L CB 1.675 43.811 42.059 0.127 0.000 1.212 616 L HN 0.755 nan 8.230 nan 0.000 0.451 617 S N -0.156 115.705 115.700 0.267 0.000 2.677 617 S HA 0.724 5.192 4.470 -0.003 0.000 0.304 617 S C -0.717 174.032 174.600 0.247 0.000 1.108 617 S CA -0.730 57.621 58.200 0.252 0.000 0.944 617 S CB 2.025 65.333 63.200 0.179 0.000 1.127 617 S HN 0.537 nan 8.310 nan 0.000 0.511 618 S N 0.527 116.310 115.700 0.139 0.000 2.547 618 S HA 0.809 5.277 4.470 -0.003 0.000 0.281 618 S C -0.846 173.733 174.600 -0.035 0.000 1.118 618 S CA -0.233 57.946 58.200 -0.035 0.000 0.947 618 S CB 1.176 64.326 63.200 -0.083 0.000 1.053 618 S HN 1.389 nan 8.310 nan 0.000 0.482 619 T N 0.550 115.051 114.554 -0.088 0.000 2.883 619 T HA 0.618 4.966 4.350 -0.003 0.000 0.301 619 T C -0.868 173.799 174.700 -0.055 0.000 1.158 619 T CA -0.801 61.272 62.100 -0.044 0.000 1.007 619 T CB 1.138 69.992 68.868 -0.024 0.000 1.186 619 T HN 0.719 nan 8.240 nan 0.000 0.499 620 E N 1.188 121.372 120.200 -0.027 0.000 2.197 620 E HA -0.131 4.217 4.350 -0.003 0.000 0.184 620 E C -2.364 174.231 176.600 -0.008 0.000 1.439 620 E CA 0.214 56.603 56.400 -0.018 0.000 0.688 620 E CB -1.064 28.619 29.700 -0.028 0.000 1.090 620 E HN 0.610 nan 8.360 nan 0.000 0.341 621 P HA 0.111 nan 4.420 nan 0.000 0.285 621 P C -0.556 176.754 177.300 0.017 0.000 1.285 621 P CA -0.692 62.425 63.100 0.028 0.000 0.854 621 P CB 0.864 32.614 31.700 0.084 0.000 1.180 622 N N 1.123 119.849 118.700 0.042 0.000 2.411 622 N HA 0.093 4.831 4.740 -0.003 0.000 0.259 622 N C 0.288 175.863 175.510 0.108 0.000 1.103 622 N CA 0.057 53.139 53.050 0.054 0.000 0.954 622 N CB -0.512 38.020 38.487 0.074 0.000 1.085 622 N HN 0.314 nan 8.380 nan 0.000 0.485 623 L N 2.646 123.917 121.223 0.080 0.000 2.769 623 L HA 0.204 4.542 4.340 -0.003 0.000 0.240 623 L C 1.119 178.101 176.870 0.186 0.000 1.163 623 L CA 0.096 55.018 54.840 0.137 0.000 0.962 623 L CB 0.097 42.207 42.059 0.086 0.000 1.258 623 L HN 0.544 nan 8.230 nan 0.000 0.513 624 Q N 0.836 120.730 119.800 0.157 0.000 2.282 624 Q HA 0.076 4.414 4.340 -0.003 0.000 0.206 624 Q C 0.383 176.480 176.000 0.162 0.000 0.878 624 Q CA 0.076 55.968 55.803 0.148 0.000 0.944 624 Q CB 0.411 29.206 28.738 0.095 0.000 1.100 624 Q HN 0.461 nan 8.270 nan 0.000 0.509 625 N N -0.482 118.313 118.700 0.159 0.000 2.466 625 N HA 0.067 4.805 4.740 -0.003 0.000 0.272 625 N C -0.609 174.949 175.510 0.079 0.000 1.455 625 N CA -0.225 52.911 53.050 0.143 0.000 0.875 625 N CB 0.323 38.929 38.487 0.198 0.000 1.372 625 N HN -0.079 nan 8.380 nan 0.000 0.492 626 I N 1.571 122.104 120.570 -0.060 0.000 2.556 626 I HA 0.262 4.430 4.170 -0.003 0.000 0.284 626 I C -1.800 174.049 176.117 -0.446 0.000 1.114 626 I CA -2.005 59.109 61.300 -0.309 0.000 1.418 626 I CB -0.136 37.602 38.000 -0.436 0.000 1.394 626 I HN -0.062 nan 8.210 nan 0.000 0.552 627 P HA 0.100 nan 4.420 nan 0.000 0.266 627 P C 0.633 177.740 177.300 -0.322 0.000 1.186 627 P CA 0.453 63.300 63.100 -0.421 0.000 0.767 627 P CB 1.070 32.492 31.700 -0.462 0.000 0.820 628 I N 1.058 121.491 120.570 -0.228 0.000 5.347 628 I HA 0.067 4.235 4.170 -0.003 0.000 0.346 628 I C 1.630 177.661 176.117 -0.143 0.000 1.177 628 I CA -0.014 61.159 61.300 -0.211 0.000 1.553 628 I CB 0.337 38.188 38.000 -0.248 0.000 1.757 628 I HN 0.104 nan 8.210 nan 0.000 0.603 629 R N 0.997 121.431 120.500 -0.109 0.000 2.092 629 R HA 0.106 4.444 4.340 -0.003 0.000 0.231 629 R C 0.237 176.499 176.300 -0.064 0.000 1.119 629 R CA 0.964 57.018 56.100 -0.077 0.000 0.970 629 R CB -0.025 30.240 30.300 -0.058 0.000 0.864 629 R HN 0.238 nan 8.270 nan 0.000 0.440 630 L N 0.824 122.011 121.223 -0.060 0.000 2.307 630 L HA 0.161 4.499 4.340 -0.003 0.000 0.284 630 L C 1.182 178.033 176.870 -0.031 0.000 1.023 630 L CA -0.580 54.237 54.840 -0.039 0.000 0.810 630 L CB 1.766 43.809 42.059 -0.027 0.000 1.231 630 L HN -0.077 nan 8.230 nan 0.000 0.423 631 E N 1.996 122.188 120.200 -0.014 0.000 2.097 631 E HA -0.249 4.099 4.350 -0.003 0.000 0.196 631 E C 1.523 178.140 176.600 0.029 0.000 1.000 631 E CA 1.930 58.342 56.400 0.019 0.000 0.804 631 E CB 0.211 29.925 29.700 0.023 0.000 0.740 631 E HN 0.655 nan 8.360 nan 0.000 0.454 632 E N -1.008 119.198 120.200 0.011 0.000 2.077 632 E HA -0.130 4.218 4.350 -0.003 0.000 0.193 632 E C 2.059 178.655 176.600 -0.007 0.000 0.989 632 E CA 0.979 57.384 56.400 0.008 0.000 0.800 632 E CB -0.322 29.391 29.700 0.021 0.000 0.746 632 E HN 0.450 nan 8.360 nan 0.000 0.452 633 G N 1.017 109.801 108.800 -0.027 0.000 2.408 633 G HA2 -0.245 3.713 3.960 -0.003 0.000 0.215 633 G HA3 -0.245 3.713 3.960 -0.003 0.000 0.215 633 G C 1.528 176.374 174.900 -0.089 0.000 1.156 633 G CA 0.321 45.376 45.100 -0.075 0.000 0.793 633 G HN 0.076 nan 8.290 nan 0.000 0.535 634 R N 0.631 121.102 120.500 -0.048 0.000 2.127 634 R HA -0.059 4.279 4.340 -0.003 0.000 0.238 634 R C 2.308 178.693 176.300 0.140 0.000 1.134 634 R CA 1.414 57.510 56.100 -0.007 0.000 0.975 634 R CB -0.195 30.115 30.300 0.017 0.000 0.865 634 R HN 0.249 nan 8.270 nan 0.000 0.447 635 K N 0.152 120.606 120.400 0.090 0.000 2.281 635 K HA -0.117 4.201 4.320 -0.003 0.000 0.203 635 K C 1.815 178.404 176.600 -0.018 0.000 1.046 635 K CA 0.820 57.081 56.287 -0.043 0.000 0.938 635 K CB -0.024 32.417 32.500 -0.099 0.000 0.737 635 K HN 0.218 nan 8.250 nan 0.000 0.458 636 I N 1.220 121.799 120.570 0.016 0.000 2.264 636 I HA -0.269 3.899 4.170 -0.003 0.000 0.248 636 I C 1.863 178.101 176.117 0.201 0.000 1.111 636 I CA 1.504 62.847 61.300 0.071 0.000 1.382 636 I CB -0.754 37.266 38.000 0.034 0.000 1.060 636 I HN 0.204 nan 8.210 nan 0.000 0.418 637 R N 0.486 121.083 120.500 0.161 0.000 2.293 637 R HA -0.142 4.196 4.340 -0.003 0.000 0.219 637 R C 1.926 178.460 176.300 0.390 0.000 1.091 637 R CA 0.581 56.842 56.100 0.269 0.000 1.004 637 R CB -0.205 30.047 30.300 -0.080 0.000 0.865 637 R HN 0.576 nan 8.270 nan 0.000 0.469 638 Q N -0.133 119.788 119.800 0.202 0.000 2.369 638 Q HA 0.007 4.345 4.340 -0.003 0.000 0.206 638 Q C 1.747 177.819 176.000 0.120 0.000 0.963 638 Q CA 1.008 56.875 55.803 0.107 0.000 0.894 638 Q CB 0.205 28.860 28.738 -0.138 0.000 0.965 638 Q HN 0.316 nan 8.270 nan 0.000 0.475 639 A N 0.070 122.963 122.820 0.122 0.000 2.208 639 A HA 0.057 4.375 4.320 -0.003 0.000 0.209 639 A C 0.088 177.599 177.584 -0.122 0.000 1.161 639 A CA 0.122 52.138 52.037 -0.035 0.000 0.782 639 A CB 0.098 19.014 19.000 -0.140 0.000 0.816 639 A HN 0.159 nan 8.150 nan 0.000 0.477 640 F N 0.551 120.610 119.950 0.182 0.000 2.371 640 F HA 0.462 4.987 4.527 -0.004 0.000 0.363 640 F C 0.342 176.249 175.800 0.179 0.000 1.122 640 F CA -0.622 57.504 58.000 0.211 0.000 1.129 640 F CB 1.433 40.676 39.000 0.405 0.000 1.173 640 F HN 0.060 nan 8.300 nan 0.000 0.489 641 V N 1.647 121.683 119.914 0.203 0.000 3.113 641 V HA 0.762 4.880 4.120 -0.003 0.000 0.316 641 V C -2.865 173.303 176.094 0.123 0.000 1.125 641 V CA -3.265 59.129 62.300 0.157 0.000 1.026 641 V CB 1.892 33.769 31.823 0.088 0.000 1.080 641 V HN 0.323 nan 8.190 nan 0.000 0.444 642 P HA 0.222 nan 4.420 nan 0.000 0.272 642 P C 0.697 178.006 177.300 0.016 0.000 1.223 642 P CA 0.288 63.463 63.100 0.125 0.000 0.784 642 P CB 0.862 32.687 31.700 0.208 0.000 0.923 643 S N 0.005 115.667 115.700 -0.063 0.000 2.527 643 S HA 0.043 4.511 4.470 -0.003 0.000 0.222 643 S C 0.537 174.942 174.600 -0.326 0.000 0.985 643 S CA 0.467 58.560 58.200 -0.178 0.000 0.921 643 S CB -0.291 62.799 63.200 -0.182 0.000 0.772 643 S HN 0.339 nan 8.310 nan 0.000 0.529 644 E N 1.215 121.119 120.200 -0.493 0.000 2.359 644 E HA 0.492 4.840 4.350 -0.003 0.000 0.266 644 E C -0.989 175.450 176.600 -0.267 0.000 0.920 644 E CA -0.670 55.361 56.400 -0.614 0.000 0.788 644 E CB 1.907 30.722 29.700 -1.475 0.000 1.279 644 E HN 0.127 nan 8.360 nan 0.000 0.438 645 S N 1.623 117.241 115.700 -0.138 0.000 2.549 645 S HA 0.058 4.526 4.470 -0.003 0.000 0.283 645 S C -0.009 174.696 174.600 0.176 0.000 1.320 645 S CA -0.049 58.164 58.200 0.022 0.000 1.058 645 S CB 0.074 63.284 63.200 0.016 0.000 0.882 645 S HN 0.498 nan 8.310 nan 0.000 0.498 646 D N -0.148 120.365 120.400 0.187 0.000 2.981 646 D HA -0.135 4.503 4.640 -0.003 0.000 0.223 646 D C -0.904 175.594 176.300 0.331 0.000 1.151 646 D CA 0.963 55.095 54.000 0.219 0.000 0.827 646 D CB -0.988 39.915 40.800 0.171 0.000 1.101 646 D HN 0.506 nan 8.370 nan 0.000 0.426 647 W N 0.082 121.387 121.300 0.008 0.000 2.576 647 W HA 0.729 5.386 4.660 -0.004 0.000 0.360 647 W C 0.607 177.144 176.519 0.029 0.000 1.109 647 W CA -0.396 56.947 57.345 -0.004 0.000 1.237 647 W CB 0.737 30.184 29.460 -0.022 0.000 1.369 647 W HN -0.171 nan 8.180 nan 0.000 0.609 648 L N 2.576 123.926 121.223 0.212 0.000 2.359 648 L HA 0.502 4.840 4.340 -0.003 0.000 0.256 648 L C -0.688 176.304 176.870 0.204 0.000 1.026 648 L CA -1.353 53.608 54.840 0.201 0.000 0.828 648 L CB 1.758 43.929 42.059 0.187 0.000 1.406 648 L HN -0.003 nan 8.230 nan 0.000 0.413 649 I N 1.415 122.124 120.570 0.232 0.000 2.353 649 I HA 0.290 4.458 4.170 -0.003 0.000 0.293 649 I C -0.743 175.547 176.117 0.288 0.000 0.992 649 I CA -0.020 61.407 61.300 0.211 0.000 1.268 649 I CB 1.114 39.225 38.000 0.184 0.000 1.387 649 I HN 0.331 nan 8.210 nan 0.000 0.478 650 F N 5.902 125.905 119.950 0.088 0.000 2.477 650 F HA 0.715 5.240 4.527 -0.004 0.000 0.335 650 F C -0.406 175.450 175.800 0.094 0.000 1.130 650 F CA -0.633 57.441 58.000 0.125 0.000 0.948 650 F CB 1.468 40.480 39.000 0.020 0.000 1.154 650 F HN 0.492 nan 8.300 nan 0.000 0.439 651 A N 4.745 127.507 122.820 -0.096 0.000 2.318 651 A HA 0.914 5.232 4.320 -0.003 0.000 0.317 651 A C -1.331 176.212 177.584 -0.069 0.000 1.159 651 A CA -0.263 51.791 52.037 0.029 0.000 0.799 651 A CB 0.839 19.928 19.000 0.148 0.000 1.194 651 A HN 1.207 nan 8.150 nan 0.000 0.479 652 A N 3.003 125.867 122.820 0.073 0.000 2.371 652 A HA 0.796 5.114 4.320 -0.003 0.000 0.311 652 A C -1.115 176.481 177.584 0.019 0.000 1.068 652 A CA -0.505 51.569 52.037 0.061 0.000 0.744 652 A CB 1.036 20.132 19.000 0.159 0.000 1.239 652 A HN 0.924 nan 8.150 nan 0.000 0.435 653 D N 1.096 121.492 120.400 -0.007 0.000 2.819 653 D HA 0.388 5.026 4.640 -0.003 0.000 0.232 653 D C -1.405 174.878 176.300 -0.028 0.000 1.160 653 D CA -0.330 53.675 54.000 0.009 0.000 0.858 653 D CB 0.854 41.714 40.800 0.099 0.000 1.610 653 D HN 0.343 nan 8.370 nan 0.000 0.481 654 Y N 0.498 120.830 120.300 0.054 0.000 2.425 654 Y HA 0.199 4.746 4.550 -0.003 0.000 0.331 654 Y C 1.389 177.300 175.900 0.019 0.000 1.157 654 Y CA 0.147 58.260 58.100 0.021 0.000 1.372 654 Y CB 1.199 39.655 38.460 -0.007 0.000 1.253 654 Y HN 0.311 nan 8.280 nan 0.000 0.536 655 S N 4.508 120.310 115.700 0.169 0.000 2.411 655 S HA 0.118 4.586 4.470 -0.003 0.000 0.294 655 S C -0.352 174.280 174.600 0.055 0.000 1.115 655 S CA -0.692 57.571 58.200 0.105 0.000 1.071 655 S CB -0.081 63.170 63.200 0.084 0.000 0.967 655 S HN 0.711 nan 8.310 nan 0.000 0.488 656 Q N 2.843 122.674 119.800 0.052 0.000 2.439 656 Q HA -0.225 4.113 4.340 -0.003 0.000 0.325 656 Q C 0.671 176.566 176.000 -0.175 0.000 1.372 656 Q CA 0.752 56.545 55.803 -0.016 0.000 0.909 656 Q CB -2.117 26.665 28.738 0.073 0.000 1.167 656 Q HN 0.921 nan 8.270 nan 0.000 0.418 657 I N -0.590 119.900 120.570 -0.134 0.000 2.286 657 I HA -0.296 3.872 4.170 -0.003 0.000 0.248 657 I C 1.729 177.676 176.117 -0.284 0.000 1.115 657 I CA 1.749 62.890 61.300 -0.265 0.000 1.392 657 I CB 0.349 38.127 38.000 -0.370 0.000 1.065 657 I HN 0.254 nan 8.210 nan 0.000 0.418 658 E N 0.919 120.988 120.200 -0.219 0.000 2.051 658 E HA -0.206 4.142 4.350 -0.003 0.000 0.192 658 E C 2.133 178.612 176.600 -0.200 0.000 0.991 658 E CA 1.483 57.752 56.400 -0.218 0.000 0.799 658 E CB -0.344 29.212 29.700 -0.241 0.000 0.748 658 E HN 0.482 nan 8.360 nan 0.000 0.449 659 L N 0.232 121.358 121.223 -0.162 0.000 2.201 659 L HA -0.090 4.248 4.340 -0.003 0.000 0.212 659 L C 2.363 179.128 176.870 -0.176 0.000 1.105 659 L CA 0.929 55.735 54.840 -0.058 0.000 0.775 659 L CB -0.204 41.965 42.059 0.182 0.000 0.913 659 L HN 0.064 nan 8.230 nan 0.000 0.440 660 R N -0.799 119.361 120.500 -0.567 0.000 2.090 660 R HA -0.091 4.247 4.340 -0.003 0.000 0.228 660 R C 2.269 178.394 176.300 -0.291 0.000 1.110 660 R CA 0.882 56.562 56.100 -0.701 0.000 0.973 660 R CB -0.330 29.493 30.300 -0.795 0.000 0.869 660 R HN 0.133 nan 8.270 nan 0.000 0.440 661 V N 1.442 121.199 119.914 -0.261 0.000 2.343 661 V HA -0.231 3.887 4.120 -0.003 0.000 0.247 661 V C 2.161 178.178 176.094 -0.129 0.000 1.051 661 V CA 1.517 63.705 62.300 -0.186 0.000 1.036 661 V CB -0.409 31.289 31.823 -0.209 0.000 0.654 661 V HN 0.249 nan 8.190 nan 0.000 0.451 662 L N 0.982 122.116 121.223 -0.149 0.000 2.046 662 L HA -0.090 4.248 4.340 -0.003 0.000 0.208 662 L C 2.445 179.247 176.870 -0.113 0.000 1.077 662 L CA 2.420 57.158 54.840 -0.170 0.000 0.747 662 L CB -1.057 40.939 42.059 -0.106 0.000 0.896 662 L HN 0.222 nan 8.230 nan 0.000 0.432 663 A N -1.252 121.562 122.820 -0.010 0.000 1.908 663 A HA -0.321 3.996 4.320 -0.003 0.000 0.218 663 A C 2.291 179.887 177.584 0.020 0.000 1.181 663 A CA 1.937 54.011 52.037 0.061 0.000 0.627 663 A CB -1.086 18.033 19.000 0.197 0.000 0.818 663 A HN 0.763 nan 8.150 nan 0.000 0.445 664 H N 0.703 119.719 119.070 -0.089 0.000 2.299 664 H HA -0.093 4.461 4.556 -0.004 0.000 0.302 664 H C 1.888 177.145 175.328 -0.117 0.000 1.078 664 H CA 2.203 58.195 56.048 -0.093 0.000 1.323 664 H CB -0.337 29.356 29.762 -0.115 0.000 1.381 664 H HN 0.530 nan 8.280 nan 0.000 0.498 665 I N -1.500 118.980 120.570 -0.150 0.000 2.315 665 I HA -0.028 4.140 4.170 -0.003 0.000 0.248 665 I C 2.354 178.290 176.117 -0.302 0.000 1.117 665 I CA 1.622 62.765 61.300 -0.261 0.000 1.404 665 I CB -0.547 37.269 38.000 -0.307 0.000 1.071 665 I HN 0.316 nan 8.210 nan 0.000 0.419 666 A N 0.308 122.942 122.820 -0.310 0.000 2.123 666 A HA 0.027 4.344 4.320 -0.003 0.000 0.214 666 A C 1.200 178.753 177.584 -0.053 0.000 1.152 666 A CA 0.390 52.337 52.037 -0.149 0.000 0.728 666 A CB -0.558 18.387 19.000 -0.091 0.000 0.814 666 A HN 0.611 nan 8.150 nan 0.000 0.464 667 E N 0.560 120.705 120.200 -0.091 0.000 2.360 667 E HA -0.191 4.157 4.350 -0.003 0.000 0.238 667 E C -0.622 175.982 176.600 0.006 0.000 1.186 667 E CA 0.633 56.998 56.400 -0.059 0.000 0.719 667 E CB -1.261 28.395 29.700 -0.074 0.000 1.236 667 E HN 0.726 nan 8.360 nan 0.000 0.386 668 D N 0.626 121.052 120.400 0.043 0.000 2.325 668 D HA -0.010 4.628 4.640 -0.003 0.000 0.251 668 D C 0.793 177.148 176.300 0.091 0.000 1.196 668 D CA -0.226 53.831 54.000 0.094 0.000 0.866 668 D CB 0.740 41.639 40.800 0.166 0.000 1.101 668 D HN 0.033 nan 8.370 nan 0.000 0.476 669 D N 3.480 123.917 120.400 0.061 0.000 2.104 669 D HA -0.212 4.426 4.640 -0.003 0.000 0.194 669 D C 1.484 177.817 176.300 0.054 0.000 0.994 669 D CA 1.034 55.060 54.000 0.043 0.000 0.830 669 D CB 0.032 40.841 40.800 0.014 0.000 0.959 669 D HN 0.483 nan 8.370 nan 0.000 0.452 670 N N 0.294 119.031 118.700 0.062 0.000 2.106 670 N HA -0.124 4.614 4.740 -0.003 0.000 0.188 670 N C 1.716 177.332 175.510 0.177 0.000 1.029 670 N CA 0.526 53.608 53.050 0.054 0.000 0.848 670 N CB -0.364 38.056 38.487 -0.112 0.000 1.007 670 N HN 0.048 nan 8.380 nan 0.000 0.423 671 L N 0.382 121.783 121.223 0.296 0.000 2.093 671 L HA 0.082 4.420 4.340 -0.003 0.000 0.208 671 L C 2.170 179.120 176.870 0.134 0.000 1.085 671 L CA 1.355 56.296 54.840 0.168 0.000 0.755 671 L CB -0.453 41.661 42.059 0.091 0.000 0.904 671 L HN 0.265 nan 8.230 nan 0.000 0.435 672 M N -1.193 118.497 119.600 0.150 0.000 2.117 672 M HA -0.202 4.276 4.480 -0.003 0.000 0.262 672 M C 2.154 178.525 176.300 0.117 0.000 1.065 672 M CA 1.784 57.178 55.300 0.157 0.000 1.114 672 M CB -0.386 32.276 32.600 0.102 0.000 1.361 672 M HN 0.217 nan 8.290 nan 0.000 0.408 673 E N 0.897 121.136 120.200 0.066 0.000 2.077 673 E HA -0.133 4.215 4.350 -0.003 0.000 0.193 673 E C 1.830 178.432 176.600 0.003 0.000 0.989 673 E CA 1.809 58.228 56.400 0.033 0.000 0.800 673 E CB -0.162 29.545 29.700 0.012 0.000 0.746 673 E HN 0.388 nan 8.360 nan 0.000 0.452 674 A N -0.255 122.535 122.820 -0.050 0.000 1.883 674 A HA -0.155 4.163 4.320 -0.003 0.000 0.217 674 A C 2.018 179.473 177.584 -0.215 0.000 1.186 674 A CA 1.626 53.555 52.037 -0.180 0.000 0.624 674 A CB -0.924 17.885 19.000 -0.318 0.000 0.822 674 A HN 0.376 nan 8.150 nan 0.000 0.444 675 F N -0.471 119.487 119.950 0.013 0.000 2.367 675 F HA 0.055 4.580 4.527 -0.003 0.000 0.298 675 F C 2.413 178.218 175.800 0.007 0.000 1.094 675 F CA 0.968 58.969 58.000 0.002 0.000 1.409 675 F CB -0.294 38.703 39.000 -0.005 0.000 1.064 675 F HN 0.102 nan 8.300 nan 0.000 0.528 676 R N -0.122 120.476 120.500 0.164 0.000 2.148 676 R HA -0.037 4.301 4.340 -0.003 0.000 0.227 676 R C 1.800 178.141 176.300 0.069 0.000 1.103 676 R CA 0.844 57.006 56.100 0.103 0.000 0.983 676 R CB -0.157 30.188 30.300 0.073 0.000 0.874 676 R HN 0.222 nan 8.270 nan 0.000 0.451 677 R N 0.162 120.690 120.500 0.047 0.000 2.317 677 R HA -0.007 4.331 4.340 -0.003 0.000 0.208 677 R C -0.136 176.182 176.300 0.030 0.000 0.914 677 R CA 0.170 56.285 56.100 0.024 0.000 1.060 677 R CB 0.162 30.460 30.300 -0.003 0.000 1.015 677 R HN 0.040 nan 8.270 nan 0.000 0.498 678 D N 1.111 121.549 120.400 0.064 0.000 2.708 678 D HA -0.168 4.470 4.640 -0.003 0.000 0.236 678 D C -0.752 175.565 176.300 0.028 0.000 1.146 678 D CA 0.507 54.558 54.000 0.085 0.000 0.662 678 D CB -0.978 39.867 40.800 0.076 0.000 1.059 678 D HN 0.180 nan 8.370 nan 0.000 0.428 679 L N 0.054 121.257 121.223 -0.033 0.000 2.464 679 L HA 0.176 4.514 4.340 -0.003 0.000 0.264 679 L C 1.232 178.055 176.870 -0.077 0.000 1.199 679 L CA -0.295 54.507 54.840 -0.064 0.000 0.818 679 L CB 0.336 42.331 42.059 -0.107 0.000 1.102 679 L HN 0.155 nan 8.230 nan 0.000 0.473 680 D N 1.623 121.989 120.400 -0.057 0.000 2.346 680 D HA -0.034 4.604 4.640 -0.003 0.000 0.260 680 D C 0.804 177.027 176.300 -0.128 0.000 1.252 680 D CA -0.128 53.834 54.000 -0.065 0.000 0.895 680 D CB 1.036 41.827 40.800 -0.014 0.000 1.097 680 D HN 0.392 nan 8.370 nan 0.000 0.489 681 I N 5.398 125.829 120.570 -0.231 0.000 2.454 681 I HA -0.252 3.916 4.170 -0.003 0.000 0.254 681 I C 1.777 177.794 176.117 -0.167 0.000 1.156 681 I CA 1.339 62.469 61.300 -0.284 0.000 1.433 681 I CB -0.209 37.607 38.000 -0.307 0.000 1.082 681 I HN 0.493 nan 8.210 nan 0.000 0.432 682 H N -0.737 118.347 119.070 0.024 0.000 2.363 682 H HA 0.010 4.564 4.556 -0.004 0.000 0.301 682 H C 2.213 177.564 175.328 0.038 0.000 1.074 682 H CA 1.793 57.866 56.048 0.041 0.000 1.354 682 H CB -1.002 28.794 29.762 0.055 0.000 1.397 682 H HN 0.266 nan 8.280 nan 0.000 0.516 683 T N 1.276 115.907 114.554 0.127 0.000 2.777 683 T HA -0.131 4.217 4.350 -0.003 0.000 0.266 683 T C 2.105 176.837 174.700 0.053 0.000 1.040 683 T CA 1.713 63.864 62.100 0.085 0.000 1.141 683 T CB 0.065 68.964 68.868 0.052 0.000 0.868 683 T HN 0.162 nan 8.240 nan 0.000 0.444 684 K N 1.291 121.700 120.400 0.014 0.000 2.057 684 K HA -0.062 4.255 4.320 -0.003 0.000 0.207 684 K C 2.224 178.847 176.600 0.038 0.000 1.049 684 K CA 1.722 58.010 56.287 0.000 0.000 0.931 684 K CB -0.968 31.502 32.500 -0.051 0.000 0.714 684 K HN 0.220 nan 8.250 nan 0.000 0.440 685 T N 0.376 114.972 114.554 0.070 0.000 2.788 685 T HA -0.064 4.284 4.350 -0.003 0.000 0.268 685 T C 1.796 176.486 174.700 -0.016 0.000 1.044 685 T CA 1.330 63.494 62.100 0.108 0.000 1.139 685 T CB -0.464 68.496 68.868 0.153 0.000 0.867 685 T HN 0.400 nan 8.240 nan 0.000 0.454 686 A N 1.372 124.204 122.820 0.020 0.000 1.902 686 A HA -0.037 4.281 4.320 -0.003 0.000 0.217 686 A C 2.327 179.948 177.584 0.063 0.000 1.181 686 A CA 1.449 53.517 52.037 0.052 0.000 0.623 686 A CB -0.677 18.470 19.000 0.245 0.000 0.818 686 A HN 0.445 nan 8.150 nan 0.000 0.443 687 M N -0.419 119.210 119.600 0.048 0.000 2.080 687 M HA -0.188 4.290 4.480 -0.003 0.000 0.260 687 M C 1.548 177.826 176.300 -0.037 0.000 1.068 687 M CA 1.856 57.172 55.300 0.027 0.000 1.109 687 M CB -0.543 32.058 32.600 0.003 0.000 1.342 687 M HN 0.334 nan 8.290 nan 0.000 0.405 688 D N 0.506 120.843 120.400 -0.104 0.000 2.091 688 D HA -0.081 4.557 4.640 -0.003 0.000 0.199 688 D C 1.896 178.063 176.300 -0.221 0.000 0.980 688 D CA 1.428 55.313 54.000 -0.192 0.000 0.831 688 D CB -0.457 40.151 40.800 -0.321 0.000 0.987 688 D HN 0.541 nan 8.370 nan 0.000 0.460 689 I N -2.477 117.905 120.570 -0.314 0.000 2.546 689 I HA -0.101 4.067 4.170 -0.003 0.000 0.255 689 I C 1.190 177.059 176.117 -0.413 0.000 1.163 689 I CA 1.153 62.195 61.300 -0.429 0.000 1.457 689 I CB -0.323 37.292 38.000 -0.642 0.000 1.092 689 I HN -0.235 nan 8.210 nan 0.000 0.434 690 F N 1.564 121.476 119.950 -0.062 0.000 2.695 690 F HA 0.309 4.834 4.527 -0.003 0.000 0.303 690 F C 0.647 176.429 175.800 -0.030 0.000 1.091 690 F CA -0.764 57.209 58.000 -0.046 0.000 1.300 690 F CB -0.679 38.287 39.000 -0.057 0.000 1.071 690 F HN 0.139 nan 8.300 nan 0.000 0.578 691 Q N 0.753 120.597 119.800 0.074 0.000 2.454 691 Q HA -0.119 4.219 4.340 -0.003 0.000 0.341 691 Q C -0.674 175.355 176.000 0.049 0.000 1.437 691 Q CA 0.488 56.311 55.803 0.033 0.000 0.935 691 Q CB -1.775 26.979 28.738 0.027 0.000 1.164 691 Q HN 0.331 nan 8.270 nan 0.000 0.373 692 V N -3.411 116.535 119.914 0.053 0.000 3.181 692 V HA 0.859 4.977 4.120 -0.003 0.000 0.308 692 V C 0.353 176.461 176.094 0.024 0.000 1.214 692 V CA -0.494 61.831 62.300 0.042 0.000 1.053 692 V CB 2.176 34.035 31.823 0.060 0.000 1.069 692 V HN 0.381 nan 8.190 nan 0.000 0.441 693 S N -0.455 115.254 115.700 0.015 0.000 2.645 693 S HA 0.309 4.777 4.470 -0.003 0.000 0.266 693 S C 0.957 175.565 174.600 0.013 0.000 1.258 693 S CA 0.517 58.721 58.200 0.007 0.000 0.990 693 S CB 1.143 64.345 63.200 0.002 0.000 0.967 693 S HN 1.112 nan 8.310 nan 0.000 0.556 694 E N 1.037 121.242 120.200 0.008 0.000 2.097 694 E HA -0.278 4.069 4.350 -0.003 0.000 0.196 694 E C 1.364 177.972 176.600 0.013 0.000 1.000 694 E CA 1.808 58.215 56.400 0.012 0.000 0.804 694 E CB -0.351 29.352 29.700 0.005 0.000 0.740 694 E HN 0.874 nan 8.360 nan 0.000 0.454 695 D N -0.108 120.296 120.400 0.008 0.000 2.348 695 D HA -0.167 4.471 4.640 -0.003 0.000 0.216 695 D C 0.954 177.257 176.300 0.006 0.000 0.970 695 D CA 0.721 54.724 54.000 0.006 0.000 0.889 695 D CB -0.182 40.619 40.800 0.002 0.000 0.912 695 D HN 0.399 nan 8.370 nan 0.000 0.524 696 E N 0.146 120.351 120.200 0.009 0.000 2.479 696 E HA 0.104 4.451 4.350 -0.003 0.000 0.193 696 E C 0.079 176.684 176.600 0.009 0.000 1.049 696 E CA -0.183 56.221 56.400 0.006 0.000 0.870 696 E CB 1.150 30.856 29.700 0.009 0.000 0.944 696 E HN 0.076 nan 8.360 nan 0.000 0.492 697 V N 3.181 123.108 119.914 0.022 0.000 2.439 697 V HA 0.012 4.130 4.120 -0.003 0.000 0.271 697 V C 0.745 176.845 176.094 0.010 0.000 1.040 697 V CA -0.011 62.308 62.300 0.032 0.000 1.002 697 V CB 0.526 32.384 31.823 0.058 0.000 1.000 697 V HN 0.227 nan 8.190 nan 0.000 0.477 698 T N 3.647 118.192 114.554 -0.015 0.000 2.902 698 T HA 0.367 4.715 4.350 -0.003 0.000 0.280 698 T C -1.729 172.962 174.700 -0.014 0.000 0.992 698 T CA -1.912 60.174 62.100 -0.024 0.000 1.015 698 T CB 1.559 70.397 68.868 -0.050 0.000 1.044 698 T HN 0.352 nan 8.240 nan 0.000 0.520 699 P HA -0.083 nan 4.420 nan 0.000 0.215 699 P C 1.457 178.751 177.300 -0.010 0.000 1.153 699 P CA 0.903 64.000 63.100 -0.005 0.000 0.853 699 P CB -0.023 31.672 31.700 -0.008 0.000 0.788 700 N N -1.240 117.443 118.700 -0.028 0.000 2.188 700 N HA -0.108 4.630 4.740 -0.003 0.000 0.184 700 N C 1.621 177.104 175.510 -0.044 0.000 1.018 700 N CA 1.316 54.346 53.050 -0.034 0.000 0.858 700 N CB -0.596 37.862 38.487 -0.049 0.000 0.989 700 N HN 0.039 nan 8.380 nan 0.000 0.426 701 M N -0.374 119.175 119.600 -0.084 0.000 2.117 701 M HA -0.110 4.368 4.480 -0.003 0.000 0.262 701 M C 2.294 178.668 176.300 0.124 0.000 1.065 701 M CA 1.258 56.501 55.300 -0.094 0.000 1.114 701 M CB -0.189 32.321 32.600 -0.150 0.000 1.361 701 M HN 0.124 nan 8.290 nan 0.000 0.408 702 R N 0.381 120.932 120.500 0.084 0.000 2.081 702 R HA -0.159 4.179 4.340 -0.003 0.000 0.235 702 R C 2.318 178.654 176.300 0.059 0.000 1.131 702 R CA 1.573 57.734 56.100 0.102 0.000 0.960 702 R CB -0.201 30.147 30.300 0.081 0.000 0.856 702 R HN 0.268 nan 8.270 nan 0.000 0.436 703 R N 0.378 120.893 120.500 0.026 0.000 2.081 703 R HA -0.162 4.176 4.340 -0.003 0.000 0.235 703 R C 2.108 178.418 176.300 0.017 0.000 1.131 703 R CA 1.968 58.064 56.100 -0.006 0.000 0.960 703 R CB -0.076 30.221 30.300 -0.005 0.000 0.856 703 R HN 0.411 nan 8.270 nan 0.000 0.436 704 Q N -0.575 119.269 119.800 0.072 0.000 2.123 704 Q HA -0.061 4.277 4.340 -0.003 0.000 0.199 704 Q C 2.106 178.156 176.000 0.083 0.000 0.966 704 Q CA 1.276 57.151 55.803 0.119 0.000 0.845 704 Q CB 0.017 28.866 28.738 0.184 0.000 0.907 704 Q HN 0.430 nan 8.270 nan 0.000 0.439 705 A N 1.687 124.566 122.820 0.098 0.000 1.930 705 A HA -0.205 4.113 4.320 -0.003 0.000 0.217 705 A C 2.022 179.642 177.584 0.061 0.000 1.175 705 A CA 1.498 53.562 52.037 0.044 0.000 0.627 705 A CB -0.377 18.676 19.000 0.089 0.000 0.815 705 A HN 0.203 nan 8.150 nan 0.000 0.443 706 K N -0.194 120.191 120.400 -0.026 0.000 2.097 706 K HA -0.089 4.229 4.320 -0.003 0.000 0.206 706 K C 2.062 178.627 176.600 -0.059 0.000 1.049 706 K CA 1.217 57.341 56.287 -0.271 0.000 0.933 706 K CB -0.304 31.857 32.500 -0.566 0.000 0.717 706 K HN 0.364 nan 8.250 nan 0.000 0.442 707 A N 0.536 123.359 122.820 0.005 0.000 1.930 707 A HA -0.068 4.250 4.320 -0.003 0.000 0.217 707 A C 2.181 179.857 177.584 0.154 0.000 1.175 707 A CA 1.304 53.388 52.037 0.078 0.000 0.627 707 A CB -0.434 18.605 19.000 0.065 0.000 0.815 707 A HN 0.167 nan 8.150 nan 0.000 0.443 708 V N 1.006 120.981 119.914 0.100 0.000 2.343 708 V HA -0.246 3.872 4.120 -0.003 0.000 0.247 708 V C 2.285 178.376 176.094 -0.006 0.000 1.051 708 V CA 2.089 64.415 62.300 0.044 0.000 1.036 708 V CB -0.901 30.916 31.823 -0.011 0.000 0.654 708 V HN 0.546 nan 8.190 nan 0.000 0.451 709 N N -0.242 118.492 118.700 0.056 0.000 2.166 709 N HA -0.173 4.565 4.740 -0.003 0.000 0.186 709 N C 1.695 177.262 175.510 0.094 0.000 1.019 709 N CA 1.566 54.653 53.050 0.060 0.000 0.856 709 N CB -0.485 38.138 38.487 0.227 0.000 0.993 709 N HN 0.548 nan 8.380 nan 0.000 0.426 710 F N 1.507 121.486 119.950 0.048 0.000 2.134 710 F HA -0.073 4.452 4.527 -0.003 0.000 0.299 710 F C 2.236 178.111 175.800 0.126 0.000 1.097 710 F CA 1.707 59.781 58.000 0.124 0.000 1.264 710 F CB -0.600 38.486 39.000 0.143 0.000 1.001 710 F HN 0.016 nan 8.300 nan 0.000 0.479 711 G N 0.637 109.591 108.800 0.257 0.000 2.422 711 G HA2 -0.235 3.723 3.960 -0.003 0.000 0.218 711 G HA3 -0.235 3.723 3.960 -0.003 0.000 0.218 711 G C 1.748 176.622 174.900 -0.043 0.000 1.146 711 G CA 1.253 46.434 45.100 0.134 0.000 0.769 711 G HN 0.490 nan 8.290 nan 0.000 0.547 712 I N 0.195 120.686 120.570 -0.131 0.000 2.286 712 I HA -0.102 4.066 4.170 -0.003 0.000 0.245 712 I C 2.703 178.692 176.117 -0.212 0.000 1.104 712 I CA 0.310 61.495 61.300 -0.191 0.000 1.397 712 I CB -0.141 37.680 38.000 -0.300 0.000 1.072 712 I HN 0.010 nan 8.210 nan 0.000 0.417 713 V N -0.079 119.650 119.914 -0.309 0.000 2.407 713 V HA -0.274 3.844 4.120 -0.003 0.000 0.248 713 V C 1.746 177.408 176.094 -0.720 0.000 1.055 713 V CA 1.874 63.855 62.300 -0.532 0.000 1.049 713 V CB -0.637 30.766 31.823 -0.701 0.000 0.662 713 V HN 0.377 nan 8.190 nan 0.000 0.455 714 Y N -0.029 120.072 120.300 -0.332 0.000 2.458 714 Y HA 0.470 5.018 4.550 -0.004 0.000 0.256 714 Y C 1.764 177.578 175.900 -0.144 0.000 1.159 714 Y CA 0.022 57.951 58.100 -0.285 0.000 1.261 714 Y CB -0.076 38.098 38.460 -0.477 0.000 1.119 714 Y HN 0.293 nan 8.280 nan 0.000 0.524 715 G N 2.071 110.851 108.800 -0.034 0.000 2.295 715 G HA2 -0.302 3.656 3.960 -0.003 0.000 0.287 715 G HA3 -0.302 3.656 3.960 -0.003 0.000 0.287 715 G C 0.284 175.216 174.900 0.054 0.000 1.055 715 G CA 0.442 45.537 45.100 -0.008 0.000 0.922 715 G HN 0.551 nan 8.290 nan 0.000 0.503 716 I N -1.511 119.115 120.570 0.093 0.000 2.886 716 I HA 0.755 4.923 4.170 -0.003 0.000 0.299 716 I C 0.860 177.056 176.117 0.132 0.000 1.044 716 I CA -0.346 61.043 61.300 0.148 0.000 1.310 716 I CB 1.327 39.447 38.000 0.199 0.000 1.441 716 I HN 0.374 nan 8.210 nan 0.000 0.578 717 S N 1.722 117.524 115.700 0.169 0.000 2.655 717 S HA 0.146 4.614 4.470 -0.003 0.000 0.265 717 S C 0.707 175.387 174.600 0.133 0.000 1.240 717 S CA 0.020 58.320 58.200 0.167 0.000 0.986 717 S CB 1.185 64.539 63.200 0.256 0.000 0.985 717 S HN 0.816 nan 8.310 nan 0.000 0.562 718 D N 0.042 120.481 120.400 0.066 0.000 2.178 718 D HA -0.175 4.463 4.640 -0.003 0.000 0.201 718 D C 1.408 177.692 176.300 -0.026 0.000 0.980 718 D CA 1.441 55.426 54.000 -0.024 0.000 0.842 718 D CB -0.768 39.959 40.800 -0.122 0.000 0.948 718 D HN 0.645 nan 8.370 nan 0.000 0.472 719 Y N 1.394 121.746 120.300 0.087 0.000 2.200 719 Y HA 0.090 4.638 4.550 -0.003 0.000 0.290 719 Y C 2.906 178.852 175.900 0.076 0.000 1.137 719 Y CA 1.400 59.545 58.100 0.076 0.000 1.163 719 Y CB -0.775 37.736 38.460 0.083 0.000 0.988 719 Y HN 0.141 nan 8.280 nan 0.000 0.518 720 G N -0.343 108.612 108.800 0.259 0.000 2.418 720 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.217 720 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.217 720 G C 1.649 176.646 174.900 0.162 0.000 1.158 720 G CA 0.988 46.205 45.100 0.196 0.000 0.771 720 G HN 0.333 nan 8.290 nan 0.000 0.545 721 L N 1.361 122.672 121.223 0.147 0.000 2.056 721 L HA 0.208 4.546 4.340 -0.003 0.000 0.207 721 L C 3.041 179.972 176.870 0.100 0.000 1.078 721 L CA 2.038 56.957 54.840 0.132 0.000 0.749 721 L CB -0.726 41.405 42.059 0.119 0.000 0.901 721 L HN 0.226 nan 8.230 nan 0.000 0.433 722 A N -1.040 121.825 122.820 0.076 0.000 1.908 722 A HA -0.303 4.015 4.320 -0.003 0.000 0.218 722 A C 2.341 179.965 177.584 0.068 0.000 1.181 722 A CA 1.971 54.036 52.037 0.047 0.000 0.627 722 A CB -0.716 18.305 19.000 0.036 0.000 0.818 722 A HN 0.659 nan 8.150 nan 0.000 0.445 723 Q N -0.573 119.283 119.800 0.094 0.000 2.119 723 Q HA -0.181 4.157 4.340 -0.003 0.000 0.201 723 Q C 1.612 177.648 176.000 0.061 0.000 0.972 723 Q CA 1.526 57.378 55.803 0.081 0.000 0.847 723 Q CB -0.119 28.675 28.738 0.093 0.000 0.903 723 Q HN 0.648 nan 8.270 nan 0.000 0.433 724 N N 0.178 118.916 118.700 0.063 0.000 2.244 724 N HA -0.091 4.647 4.740 -0.003 0.000 0.183 724 N C 1.192 176.719 175.510 0.028 0.000 1.016 724 N CA 0.945 54.011 53.050 0.028 0.000 0.866 724 N CB 0.067 38.567 38.487 0.020 0.000 0.980 724 N HN 0.293 nan 8.380 nan 0.000 0.430 725 L N -0.124 121.134 121.223 0.059 0.000 2.640 725 L HA 0.164 4.502 4.340 -0.003 0.000 0.230 725 L C 0.084 176.988 176.870 0.056 0.000 1.123 725 L CA -0.171 54.712 54.840 0.073 0.000 0.900 725 L CB -0.210 41.929 42.059 0.133 0.000 1.146 725 L HN 0.066 nan 8.230 nan 0.000 0.484 726 N N 1.804 120.531 118.700 0.045 0.000 2.714 726 N HA -0.214 4.523 4.740 -0.003 0.000 0.253 726 N C -0.545 174.982 175.510 0.028 0.000 1.024 726 N CA 0.782 53.855 53.050 0.038 0.000 0.726 726 N CB -1.027 37.481 38.487 0.036 0.000 0.908 726 N HN 0.603 nan 8.380 nan 0.000 0.542 727 I N -3.940 116.639 120.570 0.015 0.000 3.322 727 I HA 0.662 4.830 4.170 -0.003 0.000 0.313 727 I C 0.510 176.613 176.117 -0.025 0.000 1.129 727 I CA -0.975 60.313 61.300 -0.020 0.000 0.963 727 I CB 1.742 39.698 38.000 -0.073 0.000 1.273 727 I HN 0.153 nan 8.210 nan 0.000 0.473 728 S N 1.100 116.770 115.700 -0.051 0.000 2.603 728 S HA 0.307 4.775 4.470 -0.003 0.000 0.268 728 S C 0.959 175.518 174.600 -0.069 0.000 1.317 728 S CA -0.483 57.695 58.200 -0.038 0.000 1.012 728 S CB 1.554 64.730 63.200 -0.040 0.000 0.926 728 S HN 0.890 nan 8.310 nan 0.000 0.539 729 R N 1.085 121.550 120.500 -0.058 0.000 2.096 729 R HA -0.129 4.209 4.340 -0.003 0.000 0.235 729 R C 2.203 178.413 176.300 -0.150 0.000 1.127 729 R CA 1.732 57.747 56.100 -0.141 0.000 0.968 729 R CB -0.441 29.709 30.300 -0.250 0.000 0.861 729 R HN 0.868 nan 8.270 nan 0.000 0.440 730 K N 0.681 121.015 120.400 -0.111 0.000 2.026 730 K HA -0.177 4.141 4.320 -0.003 0.000 0.208 730 K C 1.714 178.240 176.600 -0.124 0.000 1.048 730 K CA 1.954 58.185 56.287 -0.094 0.000 0.929 730 K CB 0.001 32.464 32.500 -0.062 0.000 0.713 730 K HN 0.307 nan 8.250 nan 0.000 0.439 731 E N -0.144 119.953 120.200 -0.172 0.000 2.150 731 E HA -0.155 4.193 4.350 -0.003 0.000 0.193 731 E C 1.941 178.253 176.600 -0.480 0.000 0.985 731 E CA 0.874 57.089 56.400 -0.309 0.000 0.814 731 E CB -0.061 29.443 29.700 -0.327 0.000 0.752 731 E HN 0.426 nan 8.360 nan 0.000 0.466 732 A N 1.569 124.198 122.820 -0.318 0.000 1.898 732 A HA -0.063 4.255 4.320 -0.003 0.000 0.216 732 A C 2.401 179.927 177.584 -0.096 0.000 1.181 732 A CA 1.511 53.416 52.037 -0.221 0.000 0.620 732 A CB -0.540 18.402 19.000 -0.096 0.000 0.819 732 A HN 0.281 nan 8.150 nan 0.000 0.442 733 A N -0.052 122.714 122.820 -0.090 0.000 1.933 733 A HA -0.160 4.158 4.320 -0.003 0.000 0.218 733 A C 1.882 179.480 177.584 0.023 0.000 1.175 733 A CA 1.589 53.613 52.037 -0.023 0.000 0.628 733 A CB -0.493 18.488 19.000 -0.032 0.000 0.814 733 A HN 0.651 nan 8.150 nan 0.000 0.444 734 E N -0.947 119.248 120.200 -0.008 0.000 2.077 734 E HA -0.147 4.201 4.350 -0.003 0.000 0.193 734 E C 1.682 178.410 176.600 0.214 0.000 0.989 734 E CA 1.022 57.463 56.400 0.069 0.000 0.800 734 E CB -0.283 29.434 29.700 0.028 0.000 0.746 734 E HN 0.612 nan 8.360 nan 0.000 0.452 735 F N 0.944 120.910 119.950 0.027 0.000 2.134 735 F HA -0.133 4.392 4.527 -0.004 0.000 0.299 735 F C 2.202 177.978 175.800 -0.040 0.000 1.097 735 F CA 0.717 58.722 58.000 0.008 0.000 1.264 735 F CB -0.724 38.294 39.000 0.029 0.000 1.001 735 F HN 0.007 nan 8.300 nan 0.000 0.479 736 I N -0.133 120.512 120.570 0.124 0.000 2.226 736 I HA -0.288 3.879 4.170 -0.003 0.000 0.245 736 I C 2.473 178.492 176.117 -0.163 0.000 1.100 736 I CA 1.593 62.818 61.300 -0.126 0.000 1.374 736 I CB -0.491 37.431 38.000 -0.129 0.000 1.057 736 I HN 0.161 nan 8.210 nan 0.000 0.413 737 E N 1.125 121.362 120.200 0.062 0.000 2.077 737 E HA -0.240 4.108 4.350 -0.003 0.000 0.193 737 E C 2.357 179.048 176.600 0.152 0.000 0.989 737 E CA 1.054 57.559 56.400 0.176 0.000 0.800 737 E CB 0.108 29.904 29.700 0.161 0.000 0.746 737 E HN 0.263 nan 8.360 nan 0.000 0.452 738 R N -0.234 120.332 120.500 0.110 0.000 2.092 738 R HA -0.156 4.182 4.340 -0.003 0.000 0.231 738 R C 2.208 178.529 176.300 0.035 0.000 1.119 738 R CA 1.266 57.402 56.100 0.060 0.000 0.970 738 R CB -1.045 29.271 30.300 0.028 0.000 0.864 738 R HN 0.413 nan 8.270 nan 0.000 0.440 739 Y N 0.593 120.843 120.300 -0.083 0.000 2.181 739 Y HA -0.209 4.339 4.550 -0.003 0.000 0.288 739 Y C 1.859 177.837 175.900 0.129 0.000 1.146 739 Y CA 1.393 59.479 58.100 -0.022 0.000 1.164 739 Y CB -0.287 38.063 38.460 -0.184 0.000 0.982 739 Y HN -0.144 nan 8.280 nan 0.000 0.515 740 F N 0.762 120.902 119.950 0.318 0.000 2.293 740 F HA -0.114 4.411 4.527 -0.004 0.000 0.300 740 F C 2.204 178.045 175.800 0.068 0.000 1.086 740 F CA 1.335 59.468 58.000 0.222 0.000 1.375 740 F CB -0.795 38.315 39.000 0.184 0.000 1.045 740 F HN 0.186 nan 8.300 nan 0.000 0.516 741 E N -0.683 119.627 120.200 0.184 0.000 2.152 741 E HA -0.113 4.235 4.350 -0.003 0.000 0.192 741 E C 2.183 178.724 176.600 -0.099 0.000 0.983 741 E CA 1.338 57.766 56.400 0.045 0.000 0.818 741 E CB -0.215 29.498 29.700 0.022 0.000 0.758 741 E HN 0.228 nan 8.360 nan 0.000 0.467 742 S N 0.087 115.644 115.700 -0.239 0.000 2.446 742 S HA 0.037 4.505 4.470 -0.003 0.000 0.225 742 S C 0.316 174.361 174.600 -0.925 0.000 1.016 742 S CA 0.531 58.362 58.200 -0.615 0.000 0.943 742 S CB 0.166 62.867 63.200 -0.832 0.000 0.786 742 S HN 0.107 nan 8.310 nan 0.000 0.508 743 F N 1.546 121.385 119.950 -0.186 0.000 2.523 743 F HA 0.357 4.882 4.527 -0.003 0.000 0.322 743 F C -1.905 173.930 175.800 0.059 0.000 1.361 743 F CA -2.336 55.596 58.000 -0.113 0.000 1.151 743 F CB 1.146 39.992 39.000 -0.257 0.000 1.391 743 F HN -0.033 nan 8.300 nan 0.000 0.566 744 P HA -0.148 nan 4.420 nan 0.000 0.219 744 P C 1.698 179.068 177.300 0.116 0.000 1.146 744 P CA 1.503 64.667 63.100 0.106 0.000 0.808 744 P CB 0.340 32.060 31.700 0.034 0.000 0.779 745 G N 0.300 109.181 108.800 0.134 0.000 2.408 745 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.217 745 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.217 745 G C 1.724 176.733 174.900 0.181 0.000 1.150 745 G CA 0.540 45.715 45.100 0.124 0.000 0.776 745 G HN 0.180 nan 8.290 nan 0.000 0.542 746 V N 0.734 120.808 119.914 0.266 0.000 2.358 746 V HA -0.134 3.984 4.120 -0.003 0.000 0.246 746 V C 2.665 178.939 176.094 0.300 0.000 1.047 746 V CA 2.179 64.692 62.300 0.354 0.000 1.035 746 V CB -0.331 31.788 31.823 0.494 0.000 0.658 746 V HN 0.424 nan 8.190 nan 0.000 0.452 747 K N 0.387 120.897 120.400 0.183 0.000 2.026 747 K HA -0.235 4.083 4.320 -0.003 0.000 0.208 747 K C 2.420 178.916 176.600 -0.173 0.000 1.048 747 K CA 1.785 57.917 56.287 -0.258 0.000 0.929 747 K CB -0.196 32.143 32.500 -0.268 0.000 0.713 747 K HN 0.329 nan 8.250 nan 0.000 0.439 748 R N -0.271 120.209 120.500 -0.033 0.000 2.081 748 R HA -0.218 4.120 4.340 -0.003 0.000 0.235 748 R C 2.370 178.664 176.300 -0.010 0.000 1.131 748 R CA 1.783 57.868 56.100 -0.026 0.000 0.960 748 R CB -0.522 29.788 30.300 0.016 0.000 0.856 748 R HN 0.364 nan 8.270 nan 0.000 0.436 749 Y N 0.945 121.223 120.300 -0.038 0.000 2.145 749 Y HA -0.205 4.343 4.550 -0.004 0.000 0.286 749 Y C 2.110 177.981 175.900 -0.049 0.000 1.145 749 Y CA 1.780 59.861 58.100 -0.031 0.000 1.148 749 Y CB -0.210 38.249 38.460 -0.002 0.000 0.981 749 Y HN -0.001 nan 8.280 nan 0.000 0.507 750 M N 0.561 119.953 119.600 -0.346 0.000 2.108 750 M HA -0.212 4.266 4.480 -0.003 0.000 0.261 750 M C 1.941 178.029 176.300 -0.353 0.000 1.066 750 M CA 1.906 56.954 55.300 -0.421 0.000 1.107 750 M CB -1.117 31.371 32.600 -0.188 0.000 1.356 750 M HN 0.451 nan 8.290 nan 0.000 0.406 751 E N 0.092 120.130 120.200 -0.269 0.000 2.047 751 E HA -0.156 4.192 4.350 -0.003 0.000 0.191 751 E C 1.857 178.344 176.600 -0.189 0.000 0.987 751 E CA 0.953 57.232 56.400 -0.202 0.000 0.799 751 E CB -0.194 29.410 29.700 -0.161 0.000 0.752 751 E HN 0.494 nan 8.360 nan 0.000 0.449 752 N N 1.010 119.597 118.700 -0.190 0.000 2.120 752 N HA -0.139 4.599 4.740 -0.003 0.000 0.188 752 N C 1.845 177.237 175.510 -0.196 0.000 1.024 752 N CA 0.719 53.677 53.050 -0.153 0.000 0.852 752 N CB -0.208 38.224 38.487 -0.092 0.000 1.003 752 N HN 0.105 nan 8.380 nan 0.000 0.424 753 I N 0.650 121.019 120.570 -0.335 0.000 2.394 753 I HA -0.124 4.044 4.170 -0.003 0.000 0.251 753 I C 1.837 177.811 176.117 -0.239 0.000 1.136 753 I CA 0.653 61.759 61.300 -0.323 0.000 1.425 753 I CB -0.081 37.578 38.000 -0.568 0.000 1.079 753 I HN -0.161 nan 8.210 nan 0.000 0.425 754 V N 0.308 120.082 119.914 -0.233 0.000 2.358 754 V HA -0.248 3.870 4.120 -0.003 0.000 0.246 754 V C 2.518 178.536 176.094 -0.127 0.000 1.047 754 V CA 1.556 63.758 62.300 -0.164 0.000 1.035 754 V CB -0.719 31.017 31.823 -0.144 0.000 0.658 754 V HN 0.423 nan 8.190 nan 0.000 0.452 755 Q N -0.235 119.492 119.800 -0.122 0.000 2.124 755 Q HA -0.221 4.117 4.340 -0.003 0.000 0.202 755 Q C 2.237 178.177 176.000 -0.101 0.000 0.977 755 Q CA 1.734 57.480 55.803 -0.094 0.000 0.850 755 Q CB -0.323 28.365 28.738 -0.083 0.000 0.901 755 Q HN 0.775 nan 8.270 nan 0.000 0.429 756 E N 0.161 120.288 120.200 -0.123 0.000 2.077 756 E HA -0.148 4.200 4.350 -0.003 0.000 0.193 756 E C 1.809 178.303 176.600 -0.175 0.000 0.989 756 E CA 0.956 57.272 56.400 -0.141 0.000 0.800 756 E CB 0.053 29.667 29.700 -0.143 0.000 0.746 756 E HN 0.281 nan 8.360 nan 0.000 0.452 757 A N 1.518 124.242 122.820 -0.161 0.000 1.933 757 A HA -0.211 4.107 4.320 -0.003 0.000 0.218 757 A C 2.108 179.632 177.584 -0.100 0.000 1.175 757 A CA 1.716 53.663 52.037 -0.149 0.000 0.628 757 A CB -0.451 18.481 19.000 -0.114 0.000 0.814 757 A HN 0.214 nan 8.150 nan 0.000 0.444 758 K N -0.808 119.544 120.400 -0.080 0.000 2.062 758 K HA -0.168 4.150 4.320 -0.003 0.000 0.205 758 K C 2.312 178.886 176.600 -0.044 0.000 1.051 758 K CA 1.378 57.637 56.287 -0.046 0.000 0.941 758 K CB -0.174 32.302 32.500 -0.039 0.000 0.719 758 K HN 0.520 nan 8.250 nan 0.000 0.440 759 Q N 1.125 120.884 119.800 -0.068 0.000 2.046 759 Q HA -0.145 4.192 4.340 -0.003 0.000 0.200 759 Q C 1.441 177.401 176.000 -0.067 0.000 0.975 759 Q CA 1.672 57.439 55.803 -0.060 0.000 0.836 759 Q CB 0.163 28.860 28.738 -0.068 0.000 0.896 759 Q HN 0.294 nan 8.270 nan 0.000 0.428 760 K N -1.546 118.766 120.400 -0.147 0.000 2.262 760 K HA 0.085 4.403 4.320 -0.003 0.000 0.200 760 K C 1.127 177.687 176.600 -0.067 0.000 1.049 760 K CA 0.650 56.816 56.287 -0.202 0.000 0.979 760 K CB 0.418 32.570 32.500 -0.581 0.000 0.773 760 K HN 0.440 nan 8.250 nan 0.000 0.474 761 G N 0.904 109.676 108.800 -0.047 0.000 2.176 761 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.232 761 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.232 761 G C -0.171 174.885 174.900 0.261 0.000 0.986 761 G CA 0.489 45.687 45.100 0.162 0.000 0.643 761 G HN 0.380 nan 8.290 nan 0.000 0.522 762 Y N -2.051 118.244 120.300 -0.009 0.000 2.725 762 Y HA 0.741 5.289 4.550 -0.003 0.000 0.333 762 Y C -0.342 175.482 175.900 -0.126 0.000 1.242 762 Y CA -1.249 56.764 58.100 -0.144 0.000 1.059 762 Y CB 0.831 39.001 38.460 -0.482 0.000 1.306 762 Y HN 0.992 nan 8.280 nan 0.000 0.454 763 V N -0.909 119.008 119.914 0.004 0.000 3.074 763 V HA 1.004 5.122 4.120 -0.003 0.000 0.314 763 V C -0.470 175.681 176.094 0.095 0.000 1.117 763 V CA -0.272 62.013 62.300 -0.025 0.000 1.014 763 V CB 1.330 33.130 31.823 -0.039 0.000 1.057 763 V HN 1.387 nan 8.190 nan 0.000 0.438 764 T N -0.914 113.687 114.554 0.077 0.000 2.906 764 T HA 0.798 5.146 4.350 -0.003 0.000 0.295 764 T C -0.016 174.704 174.700 0.035 0.000 1.075 764 T CA 0.017 62.168 62.100 0.084 0.000 1.005 764 T CB 1.695 70.658 68.868 0.158 0.000 1.136 764 T HN 1.464 nan 8.240 nan 0.000 0.498 765 T N -0.322 114.231 114.554 -0.001 0.000 2.910 765 T HA 0.474 4.822 4.350 -0.003 0.000 0.279 765 T C 1.298 175.938 174.700 -0.100 0.000 0.989 765 T CA -0.792 61.282 62.100 -0.043 0.000 0.968 765 T CB 0.810 69.643 68.868 -0.058 0.000 1.135 765 T HN 0.512 nan 8.240 nan 0.000 0.562 766 L N 0.060 121.208 121.223 -0.126 0.000 2.043 766 L HA 0.095 4.433 4.340 -0.003 0.000 0.212 766 L C 1.841 178.507 176.870 -0.340 0.000 1.075 766 L CA 1.769 56.500 54.840 -0.182 0.000 0.752 766 L CB -0.807 41.156 42.059 -0.160 0.000 0.891 766 L HN 0.694 nan 8.230 nan 0.000 0.432 767 L N -0.585 120.471 121.223 -0.279 0.000 2.688 767 L HA 0.124 4.462 4.340 -0.003 0.000 0.234 767 L C 0.141 176.855 176.870 -0.260 0.000 1.192 767 L CA -0.132 54.523 54.840 -0.309 0.000 0.984 767 L CB -0.571 41.411 42.059 -0.128 0.000 1.232 767 L HN 0.435 nan 8.230 nan 0.000 0.465 768 H N -1.446 117.615 119.070 -0.015 0.000 3.049 768 H HA -0.156 4.398 4.556 -0.003 0.000 0.250 768 H C 0.887 176.188 175.328 -0.043 0.000 1.219 768 H CA 0.379 56.417 56.048 -0.018 0.000 1.117 768 H CB -1.218 28.536 29.762 -0.014 0.000 1.251 768 H HN 0.438 nan 8.280 nan 0.000 0.338 769 R N 1.140 121.646 120.500 0.009 0.000 2.594 769 R HA 0.387 4.725 4.340 -0.003 0.000 0.272 769 R C 0.542 176.806 176.300 -0.060 0.000 1.074 769 R CA -0.162 55.912 56.100 -0.043 0.000 1.105 769 R CB 0.899 31.164 30.300 -0.059 0.000 1.008 769 R HN 0.278 nan 8.270 nan 0.000 0.472 770 R N 2.178 122.599 120.500 -0.133 0.000 2.740 770 R HA 0.373 4.711 4.340 -0.003 0.000 0.282 770 R C -1.281 174.889 176.300 -0.217 0.000 0.969 770 R CA -0.813 55.167 56.100 -0.199 0.000 0.918 770 R CB 1.419 31.479 30.300 -0.400 0.000 1.175 770 R HN 0.634 nan 8.270 nan 0.000 0.464 771 R N 3.536 123.921 120.500 -0.191 0.000 2.502 771 R HA 0.234 4.572 4.340 -0.003 0.000 0.298 771 R C -1.636 174.602 176.300 -0.105 0.000 1.018 771 R CA -0.532 55.502 56.100 -0.111 0.000 0.899 771 R CB 0.832 31.111 30.300 -0.034 0.000 1.181 771 R HN 0.541 nan 8.270 nan 0.000 0.444 772 Y N 4.199 124.546 120.300 0.078 0.000 2.319 772 Y HA 0.242 4.790 4.550 -0.003 0.000 0.328 772 Y C 0.396 176.344 175.900 0.081 0.000 1.133 772 Y CA -0.161 58.005 58.100 0.109 0.000 1.265 772 Y CB 1.121 39.623 38.460 0.070 0.000 1.218 772 Y HN 0.429 nan 8.280 nan 0.000 0.508 773 L N 6.448 127.803 121.223 0.221 0.000 2.637 773 L HA 0.261 4.599 4.340 -0.003 0.000 0.241 773 L C -1.684 175.256 176.870 0.118 0.000 1.398 773 L CA -1.322 53.595 54.840 0.128 0.000 0.895 773 L CB 1.050 43.139 42.059 0.051 0.000 1.183 773 L HN 0.510 nan 8.230 nan 0.000 0.497 774 P HA -0.160 nan 4.420 nan 0.000 0.219 774 P C 0.442 177.785 177.300 0.072 0.000 1.146 774 P CA 1.110 64.266 63.100 0.094 0.000 0.808 774 P CB 0.420 32.168 31.700 0.080 0.000 0.779 775 D N -0.517 119.931 120.400 0.080 0.000 2.371 775 D HA -0.048 4.590 4.640 -0.003 0.000 0.221 775 D C 1.713 178.043 176.300 0.050 0.000 0.986 775 D CA 0.190 54.233 54.000 0.072 0.000 0.899 775 D CB -0.691 40.171 40.800 0.103 0.000 0.902 775 D HN 0.154 nan 8.370 nan 0.000 0.530 776 I N 0.863 121.455 120.570 0.038 0.000 2.567 776 I HA -0.203 3.965 4.170 -0.003 0.000 0.257 776 I C 1.799 177.924 176.117 0.012 0.000 1.184 776 I CA 1.275 62.581 61.300 0.011 0.000 1.451 776 I CB -0.116 37.883 38.000 -0.001 0.000 1.089 776 I HN -0.019 nan 8.210 nan 0.000 0.441 777 T N -3.356 111.213 114.554 0.025 0.000 3.105 777 T HA 0.199 4.547 4.350 -0.003 0.000 0.253 777 T C 0.945 175.664 174.700 0.032 0.000 1.047 777 T CA 0.117 62.232 62.100 0.025 0.000 0.944 777 T CB -0.478 68.405 68.868 0.026 0.000 1.016 777 T HN 0.212 nan 8.240 nan 0.000 0.544 778 S N 0.984 116.706 115.700 0.036 0.000 2.560 778 S HA 0.222 4.690 4.470 -0.003 0.000 0.284 778 S C 0.980 175.611 174.600 0.051 0.000 1.327 778 S CA -0.539 57.687 58.200 0.043 0.000 1.055 778 S CB 0.533 63.761 63.200 0.046 0.000 0.868 778 S HN 0.356 nan 8.310 nan 0.000 0.506 779 R N 2.394 122.928 120.500 0.056 0.000 2.334 779 R HA 0.264 4.602 4.340 -0.003 0.000 0.220 779 R C -0.037 176.318 176.300 0.093 0.000 0.917 779 R CA -0.003 56.139 56.100 0.070 0.000 1.073 779 R CB -0.277 30.056 30.300 0.056 0.000 1.056 779 R HN 0.487 nan 8.270 nan 0.000 0.506 780 N N 0.477 119.230 118.700 0.089 0.000 2.462 780 N HA -0.036 4.702 4.740 -0.003 0.000 0.242 780 N C 0.448 176.043 175.510 0.141 0.000 1.010 780 N CA -0.297 52.820 53.050 0.110 0.000 0.939 780 N CB 0.271 38.803 38.487 0.076 0.000 1.127 780 N HN -0.058 nan 8.380 nan 0.000 0.509 781 F N 4.925 124.907 119.950 0.052 0.000 2.045 781 F HA -0.319 4.206 4.527 -0.003 0.000 0.297 781 F C 1.641 177.493 175.800 0.086 0.000 1.114 781 F CA 1.907 59.947 58.000 0.066 0.000 1.207 781 F CB -0.146 38.896 39.000 0.069 0.000 0.964 781 F HN 0.539 nan 8.300 nan 0.000 0.486 782 N N 0.276 119.026 118.700 0.082 0.000 2.120 782 N HA -0.156 4.582 4.740 -0.003 0.000 0.188 782 N C 2.036 177.537 175.510 -0.015 0.000 1.024 782 N CA 1.781 54.828 53.050 -0.006 0.000 0.852 782 N CB -0.724 37.815 38.487 0.086 0.000 1.003 782 N HN 0.285 nan 8.380 nan 0.000 0.424 783 V N 1.400 121.326 119.914 0.020 0.000 2.358 783 V HA -0.158 3.960 4.120 -0.003 0.000 0.246 783 V C 2.563 178.691 176.094 0.058 0.000 1.047 783 V CA 1.412 63.742 62.300 0.051 0.000 1.035 783 V CB -0.442 31.410 31.823 0.048 0.000 0.658 783 V HN 0.274 nan 8.190 nan 0.000 0.452 784 R N -0.003 120.492 120.500 -0.007 0.000 2.075 784 R HA -0.132 4.206 4.340 -0.003 0.000 0.232 784 R C 2.494 178.740 176.300 -0.090 0.000 1.126 784 R CA 1.724 57.805 56.100 -0.032 0.000 0.963 784 R CB -0.261 30.018 30.300 -0.034 0.000 0.858 784 R HN 0.487 nan 8.270 nan 0.000 0.435 785 S N 0.417 115.985 115.700 -0.220 0.000 2.368 785 S HA -0.163 4.305 4.470 -0.003 0.000 0.225 785 S C 1.405 175.970 174.600 -0.058 0.000 1.030 785 S CA 1.355 59.407 58.200 -0.246 0.000 0.999 785 S CB -0.392 62.514 63.200 -0.490 0.000 0.844 785 S HN 0.390 nan 8.310 nan 0.000 0.459 786 F N 2.572 122.460 119.950 -0.103 0.000 2.134 786 F HA -0.085 4.440 4.527 -0.004 0.000 0.299 786 F C 2.310 178.094 175.800 -0.027 0.000 1.097 786 F CA 0.997 58.973 58.000 -0.040 0.000 1.264 786 F CB -0.790 38.199 39.000 -0.018 0.000 1.001 786 F HN 0.170 nan 8.300 nan 0.000 0.479 787 A N 0.155 122.961 122.820 -0.023 0.000 1.933 787 A HA -0.209 4.109 4.320 -0.003 0.000 0.218 787 A C 2.120 179.607 177.584 -0.161 0.000 1.175 787 A CA 1.906 53.883 52.037 -0.100 0.000 0.628 787 A CB -0.863 18.146 19.000 0.015 0.000 0.814 787 A HN 0.583 nan 8.150 nan 0.000 0.444 788 E N -0.550 119.571 120.200 -0.131 0.000 2.072 788 E HA -0.170 4.178 4.350 -0.003 0.000 0.191 788 E C 2.294 178.801 176.600 -0.154 0.000 0.985 788 E CA 0.989 57.312 56.400 -0.127 0.000 0.801 788 E CB -0.191 29.447 29.700 -0.103 0.000 0.750 788 E HN 0.537 nan 8.360 nan 0.000 0.452 789 R N 0.014 120.404 120.500 -0.183 0.000 2.115 789 R HA -0.025 4.313 4.340 -0.003 0.000 0.230 789 R C 2.234 178.393 176.300 -0.236 0.000 1.111 789 R CA 0.972 56.966 56.100 -0.176 0.000 0.976 789 R CB -0.031 30.177 30.300 -0.154 0.000 0.870 789 R HN 0.165 nan 8.270 nan 0.000 0.445 790 M N -0.316 119.061 119.600 -0.372 0.000 2.319 790 M HA 0.006 4.484 4.480 -0.003 0.000 0.265 790 M C 2.282 178.479 176.300 -0.171 0.000 1.068 790 M CA 1.025 56.132 55.300 -0.321 0.000 1.118 790 M CB -0.724 31.615 32.600 -0.435 0.000 1.395 790 M HN 0.138 nan 8.290 nan 0.000 0.435 791 A N 0.185 122.910 122.820 -0.157 0.000 1.898 791 A HA -0.118 4.200 4.320 -0.003 0.000 0.216 791 A C 2.227 179.746 177.584 -0.108 0.000 1.181 791 A CA 1.341 53.306 52.037 -0.120 0.000 0.620 791 A CB -0.449 18.472 19.000 -0.132 0.000 0.819 791 A HN 0.458 nan 8.150 nan 0.000 0.442 792 M N -0.816 118.711 119.600 -0.122 0.000 2.156 792 M HA -0.092 4.385 4.480 -0.003 0.000 0.264 792 M C 2.178 178.516 176.300 0.062 0.000 1.067 792 M CA 1.538 56.788 55.300 -0.082 0.000 1.131 792 M CB -0.392 32.166 32.600 -0.070 0.000 1.368 792 M HN 0.570 nan 8.290 nan 0.000 0.416 793 N N -0.411 118.280 118.700 -0.015 0.000 2.290 793 N HA -0.083 4.655 4.740 -0.003 0.000 0.179 793 N C 1.372 176.865 175.510 -0.029 0.000 1.016 793 N CA 1.289 54.325 53.050 -0.024 0.000 0.871 793 N CB 0.199 38.644 38.487 -0.069 0.000 0.987 793 N HN 0.219 nan 8.380 nan 0.000 0.431 794 T N 1.643 116.176 114.554 -0.035 0.000 2.720 794 T HA -0.056 4.292 4.350 -0.003 0.000 0.268 794 T C -1.069 173.623 174.700 -0.014 0.000 1.037 794 T CA 1.092 63.175 62.100 -0.028 0.000 1.144 794 T CB -0.954 67.896 68.868 -0.031 0.000 0.864 794 T HN 0.376 nan 8.240 nan 0.000 0.444 795 P HA 0.068 nan 4.420 nan 0.000 0.220 795 P C 1.251 178.533 177.300 -0.030 0.000 1.148 795 P CA 0.767 63.879 63.100 0.020 0.000 0.803 795 P CB -0.109 31.655 31.700 0.107 0.000 0.782 796 I N -1.030 119.519 120.570 -0.036 0.000 2.188 796 I HA -0.211 3.957 4.170 -0.003 0.000 0.237 796 I C 2.496 178.542 176.117 -0.118 0.000 1.073 796 I CA 1.381 62.623 61.300 -0.097 0.000 1.359 796 I CB -0.769 37.170 38.000 -0.101 0.000 1.083 796 I HN -0.104 nan 8.210 nan 0.000 0.412 797 Q N 0.687 120.421 119.800 -0.112 0.000 2.124 797 Q HA -0.147 4.191 4.340 -0.003 0.000 0.202 797 Q C 2.287 178.246 176.000 -0.068 0.000 0.977 797 Q CA 1.636 57.374 55.803 -0.108 0.000 0.850 797 Q CB -0.362 28.323 28.738 -0.088 0.000 0.901 797 Q HN 0.662 nan 8.270 nan 0.000 0.429 798 G N -0.049 108.721 108.800 -0.050 0.000 2.418 798 G HA2 -0.228 3.730 3.960 -0.003 0.000 0.217 798 G HA3 -0.228 3.730 3.960 -0.003 0.000 0.217 798 G C 1.491 176.356 174.900 -0.059 0.000 1.158 798 G CA 0.903 45.981 45.100 -0.036 0.000 0.771 798 G HN 0.239 nan 8.290 nan 0.000 0.545 799 S N 0.982 116.632 115.700 -0.084 0.000 2.383 799 S HA 0.050 4.518 4.470 -0.003 0.000 0.227 799 S C 2.742 177.256 174.600 -0.143 0.000 1.026 799 S CA 1.026 59.158 58.200 -0.114 0.000 0.981 799 S CB -0.265 62.860 63.200 -0.125 0.000 0.818 799 S HN 0.569 nan 8.310 nan 0.000 0.472 800 A N 1.506 124.236 122.820 -0.150 0.000 1.933 800 A HA 0.145 4.463 4.320 -0.003 0.000 0.218 800 A C 2.312 179.819 177.584 -0.128 0.000 1.175 800 A CA 1.579 53.503 52.037 -0.189 0.000 0.628 800 A CB -0.911 17.982 19.000 -0.180 0.000 0.814 800 A HN 0.502 nan 8.150 nan 0.000 0.444 801 A N 0.150 122.933 122.820 -0.062 0.000 1.898 801 A HA -0.145 4.173 4.320 -0.003 0.000 0.216 801 A C 1.762 179.334 177.584 -0.020 0.000 1.181 801 A CA 1.756 53.790 52.037 -0.005 0.000 0.620 801 A CB -0.542 18.479 19.000 0.035 0.000 0.819 801 A HN 0.442 nan 8.150 nan 0.000 0.442 802 D N 0.298 120.670 120.400 -0.046 0.000 2.104 802 D HA -0.154 4.484 4.640 -0.003 0.000 0.194 802 D C 1.861 178.124 176.300 -0.062 0.000 0.994 802 D CA 1.379 55.350 54.000 -0.050 0.000 0.830 802 D CB -0.416 40.338 40.800 -0.077 0.000 0.959 802 D HN 0.534 nan 8.370 nan 0.000 0.452 803 I N 0.688 121.194 120.570 -0.107 0.000 2.163 803 I HA -0.223 3.945 4.170 -0.003 0.000 0.243 803 I C 2.583 178.673 176.117 -0.045 0.000 1.085 803 I CA 0.752 61.978 61.300 -0.123 0.000 1.347 803 I CB -0.144 37.703 38.000 -0.255 0.000 1.044 803 I HN -0.040 nan 8.210 nan 0.000 0.408 804 I N 0.728 121.282 120.570 -0.025 0.000 2.394 804 I HA -0.275 3.893 4.170 -0.003 0.000 0.251 804 I C 2.437 178.591 176.117 0.062 0.000 1.136 804 I CA 1.468 62.839 61.300 0.118 0.000 1.425 804 I CB -0.100 38.004 38.000 0.174 0.000 1.079 804 I HN 0.155 nan 8.210 nan 0.000 0.425 805 K N 0.540 120.952 120.400 0.020 0.000 2.057 805 K HA -0.244 4.074 4.320 -0.003 0.000 0.207 805 K C 2.164 178.764 176.600 0.001 0.000 1.049 805 K CA 1.476 57.765 56.287 0.003 0.000 0.931 805 K CB -0.152 32.350 32.500 0.003 0.000 0.714 805 K HN 0.241 nan 8.250 nan 0.000 0.440 806 K N 0.875 121.275 120.400 -0.000 0.000 2.097 806 K HA -0.093 4.225 4.320 -0.003 0.000 0.205 806 K C 2.057 178.662 176.600 0.008 0.000 1.050 806 K CA 1.087 57.372 56.287 -0.004 0.000 0.938 806 K CB -0.046 32.445 32.500 -0.015 0.000 0.718 806 K HN 0.111 nan 8.250 nan 0.000 0.442 807 A N 1.081 123.922 122.820 0.036 0.000 1.933 807 A HA -0.162 4.156 4.320 -0.003 0.000 0.218 807 A C 2.074 179.668 177.584 0.017 0.000 1.175 807 A CA 1.608 53.675 52.037 0.051 0.000 0.628 807 A CB -0.435 18.646 19.000 0.134 0.000 0.814 807 A HN 0.345 nan 8.150 nan 0.000 0.444 808 M N -0.798 118.808 119.600 0.011 0.000 2.132 808 M HA -0.064 4.414 4.480 -0.003 0.000 0.263 808 M C 2.027 178.316 176.300 -0.018 0.000 1.065 808 M CA 1.435 56.728 55.300 -0.012 0.000 1.122 808 M CB -0.458 32.125 32.600 -0.028 0.000 1.365 808 M HN 0.392 nan 8.290 nan 0.000 0.411 809 I N 0.109 120.670 120.570 -0.016 0.000 2.202 809 I HA -0.286 3.882 4.170 -0.003 0.000 0.242 809 I C 1.819 177.924 176.117 -0.019 0.000 1.091 809 I CA 1.107 62.396 61.300 -0.018 0.000 1.368 809 I CB -0.571 37.419 38.000 -0.016 0.000 1.058 809 I HN 0.239 nan 8.210 nan 0.000 0.410 810 D N 0.729 121.119 120.400 -0.017 0.000 2.144 810 D HA -0.166 4.472 4.640 -0.003 0.000 0.199 810 D C 2.007 178.288 176.300 -0.031 0.000 0.984 810 D CA 1.085 55.073 54.000 -0.021 0.000 0.834 810 D CB -0.298 40.493 40.800 -0.016 0.000 0.955 810 D HN 0.172 nan 8.370 nan 0.000 0.465 811 L N 1.131 122.335 121.223 -0.032 0.000 2.017 811 L HA -0.118 4.220 4.340 -0.003 0.000 0.208 811 L C 1.554 178.395 176.870 -0.048 0.000 1.073 811 L CA 1.692 56.503 54.840 -0.049 0.000 0.745 811 L CB -0.724 41.306 42.059 -0.049 0.000 0.894 811 L HN -0.146 nan 8.230 nan 0.000 0.432 812 N N -0.062 118.618 118.700 -0.033 0.000 2.166 812 N HA -0.107 4.631 4.740 -0.003 0.000 0.186 812 N C 1.802 177.294 175.510 -0.030 0.000 1.019 812 N CA 1.425 54.459 53.050 -0.026 0.000 0.856 812 N CB -0.394 38.083 38.487 -0.016 0.000 0.993 812 N HN 0.547 nan 8.380 nan 0.000 0.426 813 A N 0.831 123.632 122.820 -0.032 0.000 1.898 813 A HA -0.077 4.241 4.320 -0.003 0.000 0.216 813 A C 2.173 179.733 177.584 -0.040 0.000 1.181 813 A CA 1.033 53.051 52.037 -0.032 0.000 0.620 813 A CB -0.197 18.785 19.000 -0.029 0.000 0.819 813 A HN 0.091 nan 8.150 nan 0.000 0.442 814 R N -0.340 120.131 120.500 -0.048 0.000 2.075 814 R HA 0.003 4.341 4.340 -0.003 0.000 0.232 814 R C 2.085 178.343 176.300 -0.070 0.000 1.126 814 R CA 1.124 57.189 56.100 -0.060 0.000 0.963 814 R CB -0.988 29.270 30.300 -0.070 0.000 0.858 814 R HN 0.586 nan 8.270 nan 0.000 0.435 815 L N 0.750 121.929 121.223 -0.074 0.000 2.079 815 L HA -0.181 4.157 4.340 -0.003 0.000 0.210 815 L C 2.692 179.525 176.870 -0.061 0.000 1.081 815 L CA 1.430 56.221 54.840 -0.082 0.000 0.752 815 L CB -0.407 41.607 42.059 -0.074 0.000 0.896 815 L HN 0.182 nan 8.230 nan 0.000 0.433 816 K N 0.445 120.819 120.400 -0.044 0.000 2.057 816 K HA -0.176 4.142 4.320 -0.003 0.000 0.206 816 K C 1.919 178.496 176.600 -0.038 0.000 1.050 816 K CA 1.339 57.606 56.287 -0.033 0.000 0.935 816 K CB 0.062 32.546 32.500 -0.026 0.000 0.715 816 K HN 0.331 nan 8.250 nan 0.000 0.439 817 E N 0.317 120.492 120.200 -0.042 0.000 2.110 817 E HA -0.167 4.181 4.350 -0.003 0.000 0.193 817 E C 1.624 178.195 176.600 -0.048 0.000 0.988 817 E CA 0.889 57.264 56.400 -0.042 0.000 0.804 817 E CB 0.086 29.761 29.700 -0.042 0.000 0.745 817 E HN 0.284 nan 8.360 nan 0.000 0.458 818 E N 0.241 120.404 120.200 -0.061 0.000 2.481 818 E HA -0.031 4.317 4.350 -0.003 0.000 0.195 818 E C 0.079 176.637 176.600 -0.070 0.000 1.047 818 E CA 0.114 56.471 56.400 -0.071 0.000 0.867 818 E CB 0.252 29.896 29.700 -0.093 0.000 0.858 818 E HN 0.098 nan 8.360 nan 0.000 0.513 819 R N -0.531 119.933 120.500 -0.059 0.000 3.651 819 R HA -0.184 4.154 4.340 -0.003 0.000 0.292 819 R C -0.157 176.102 176.300 -0.068 0.000 1.161 819 R CA 0.353 56.422 56.100 -0.051 0.000 0.787 819 R CB -3.091 27.183 30.300 -0.045 0.000 1.249 819 R HN 0.210 nan 8.270 nan 0.000 0.476 820 L N 0.459 121.628 121.223 -0.090 0.000 2.395 820 L HA 0.151 4.489 4.340 -0.003 0.000 0.269 820 L C 2.011 178.813 176.870 -0.112 0.000 1.133 820 L CA -0.105 54.656 54.840 -0.132 0.000 0.812 820 L CB 0.654 42.608 42.059 -0.176 0.000 1.125 820 L HN 0.101 nan 8.230 nan 0.000 0.452 821 Q N 1.642 121.344 119.800 -0.163 0.000 2.398 821 Q HA 0.135 4.473 4.340 -0.003 0.000 0.204 821 Q C 0.598 176.480 176.000 -0.198 0.000 0.932 821 Q CA -0.020 55.718 55.803 -0.107 0.000 0.916 821 Q CB 0.330 28.993 28.738 -0.124 0.000 1.024 821 Q HN 0.784 nan 8.270 nan 0.000 0.504 822 A N 2.335 124.950 122.820 -0.342 0.000 2.561 822 A HA 0.043 4.361 4.320 -0.003 0.000 0.234 822 A C -0.162 177.323 177.584 -0.165 0.000 1.055 822 A CA 0.358 52.164 52.037 -0.384 0.000 0.756 822 A CB -0.142 18.637 19.000 -0.367 0.000 0.986 822 A HN 0.430 nan 8.150 nan 0.000 0.505 823 H N -0.035 119.031 119.070 -0.006 0.000 3.046 823 H HA 0.514 5.068 4.556 -0.003 0.000 0.361 823 H C -1.369 173.974 175.328 0.026 0.000 1.235 823 H CA -1.191 54.871 56.048 0.023 0.000 1.146 823 H CB 0.598 30.406 29.762 0.076 0.000 1.859 823 H HN 0.498 nan 8.280 nan 0.000 0.548 824 L N 1.950 123.297 121.223 0.208 0.000 2.456 824 L HA 0.002 4.340 4.340 -0.003 0.000 0.272 824 L C 0.928 177.904 176.870 0.176 0.000 1.189 824 L CA -0.053 54.865 54.840 0.130 0.000 0.846 824 L CB 0.550 42.642 42.059 0.055 0.000 1.111 824 L HN 0.587 nan 8.230 nan 0.000 0.475 825 L N 3.067 124.359 121.223 0.116 0.000 2.641 825 L HA 0.351 4.689 4.340 -0.003 0.000 0.207 825 L C -0.068 176.869 176.870 0.112 0.000 1.049 825 L CA 0.176 55.078 54.840 0.103 0.000 0.866 825 L CB 0.450 42.533 42.059 0.041 0.000 1.264 825 L HN 0.414 nan 8.230 nan 0.000 0.483 826 L N -0.640 120.612 121.223 0.048 0.000 2.409 826 L HA 0.476 4.814 4.340 -0.003 0.000 0.255 826 L C -1.146 175.734 176.870 0.016 0.000 1.027 826 L CA -0.550 54.365 54.840 0.126 0.000 0.834 826 L CB 2.313 44.383 42.059 0.018 0.000 1.426 826 L HN -0.092 nan 8.230 nan 0.000 0.411 827 Q N 1.363 121.159 119.800 -0.007 0.000 2.337 827 Q HA 0.498 4.836 4.340 -0.003 0.000 0.270 827 Q C -1.838 174.154 176.000 -0.014 0.000 1.043 827 Q CA -0.438 55.320 55.803 -0.075 0.000 0.794 827 Q CB 2.641 31.234 28.738 -0.241 0.000 1.281 827 Q HN 0.506 nan 8.270 nan 0.000 0.446 828 V N 6.535 126.445 119.914 -0.007 0.000 2.361 828 V HA 0.228 4.346 4.120 -0.003 0.000 0.252 828 V C 0.219 176.276 176.094 -0.062 0.000 0.986 828 V CA -0.316 61.926 62.300 -0.097 0.000 1.033 828 V CB -0.162 31.718 31.823 0.096 0.000 1.282 828 V HN 0.927 nan 8.190 nan 0.000 0.514 829 H N 1.982 121.141 119.070 0.149 0.000 4.955 829 H HA -0.220 4.334 4.556 -0.004 0.000 0.059 829 H C 1.259 176.669 175.328 0.135 0.000 0.580 829 H CA 2.309 58.438 56.048 0.136 0.000 0.969 829 H CB -0.902 28.954 29.762 0.157 0.000 0.469 829 H HN 0.829 nan 8.280 nan 0.000 0.792 830 D N 1.833 122.406 120.400 0.287 0.000 2.540 830 D HA 0.208 4.845 4.640 -0.003 0.000 0.229 830 D C 0.027 176.493 176.300 0.277 0.000 1.250 830 D CA 0.066 54.246 54.000 0.300 0.000 0.817 830 D CB 0.563 41.519 40.800 0.260 0.000 1.060 830 D HN 0.544 nan 8.370 nan 0.000 0.508 831 E N 0.292 120.607 120.200 0.190 0.000 2.288 831 E HA 0.608 4.956 4.350 -0.003 0.000 0.268 831 E C -0.748 175.907 176.600 0.092 0.000 0.885 831 E CA -0.926 55.554 56.400 0.133 0.000 0.767 831 E CB 2.844 32.641 29.700 0.160 0.000 1.220 831 E HN 0.009 nan 8.360 nan 0.000 0.427 832 L N 2.896 124.158 121.223 0.066 0.000 2.356 832 L HA 0.500 4.837 4.340 -0.003 0.000 0.277 832 L C -0.918 175.990 176.870 0.063 0.000 0.996 832 L CA -1.027 53.841 54.840 0.045 0.000 0.822 832 L CB 1.327 43.403 42.059 0.028 0.000 1.256 832 L HN 0.377 nan 8.230 nan 0.000 0.413 833 I N 4.454 125.032 120.570 0.013 0.000 2.378 833 I HA 0.519 4.687 4.170 -0.003 0.000 0.291 833 I C -0.232 175.885 176.117 0.001 0.000 0.992 833 I CA -0.422 60.856 61.300 -0.037 0.000 1.154 833 I CB 1.548 39.379 38.000 -0.283 0.000 1.315 833 I HN 0.387 nan 8.210 nan 0.000 0.448 834 L N 5.525 126.791 121.223 0.072 0.000 2.257 834 L HA 0.625 4.963 4.340 -0.003 0.000 0.257 834 L C -0.071 176.841 176.870 0.071 0.000 1.033 834 L CA -0.585 54.296 54.840 0.067 0.000 0.835 834 L CB 1.625 43.697 42.059 0.021 0.000 1.398 834 L HN 0.664 nan 8.230 nan 0.000 0.429 835 E N 0.198 120.414 120.200 0.026 0.000 2.340 835 E HA 0.930 5.278 4.350 -0.003 0.000 0.273 835 E C -1.529 174.991 176.600 -0.133 0.000 0.891 835 E CA -1.105 55.337 56.400 0.069 0.000 0.757 835 E CB 2.612 32.442 29.700 0.217 0.000 1.231 835 E HN 0.735 nan 8.360 nan 0.000 0.439 836 A N 2.123 124.798 122.820 -0.242 0.000 2.586 836 A HA 0.624 4.942 4.320 -0.003 0.000 0.290 836 A C -2.976 173.922 177.584 -1.142 0.000 1.086 836 A CA -1.452 50.039 52.037 -0.910 0.000 0.665 836 A CB 1.175 19.795 19.000 -0.633 0.000 1.279 836 A HN 0.500 nan 8.150 nan 0.000 0.423 837 P HA 0.098 nan 4.420 nan 0.000 0.267 837 P C 0.474 177.474 177.300 -0.499 0.000 1.200 837 P CA 0.078 62.506 63.100 -1.121 0.000 0.772 837 P CB 0.540 31.770 31.700 -0.783 0.000 0.855 838 K N 2.047 122.300 120.400 -0.245 0.000 2.211 838 K HA -0.209 4.109 4.320 -0.003 0.000 0.204 838 K C 0.784 177.279 176.600 -0.175 0.000 1.047 838 K CA 1.745 57.947 56.287 -0.141 0.000 0.935 838 K CB -0.436 32.051 32.500 -0.022 0.000 0.728 838 K HN 0.261 nan 8.250 nan 0.000 0.452 839 E N 1.246 121.337 120.200 -0.182 0.000 2.472 839 E HA -0.083 4.265 4.350 -0.003 0.000 0.200 839 E C 0.906 177.383 176.600 -0.205 0.000 1.046 839 E CA 0.857 57.161 56.400 -0.159 0.000 0.871 839 E CB 0.142 29.765 29.700 -0.129 0.000 0.806 839 E HN 0.510 nan 8.360 nan 0.000 0.533 840 E N -0.578 119.451 120.200 -0.285 0.000 2.481 840 E HA 0.069 4.417 4.350 -0.003 0.000 0.198 840 E C 1.265 177.659 176.600 -0.342 0.000 1.027 840 E CA -0.169 56.045 56.400 -0.310 0.000 0.900 840 E CB 0.200 29.672 29.700 -0.379 0.000 0.993 840 E HN 0.194 nan 8.360 nan 0.000 0.482 841 M N 0.911 120.298 119.600 -0.356 0.000 2.082 841 M HA -0.196 4.282 4.480 -0.003 0.000 0.258 841 M C 1.853 177.956 176.300 -0.329 0.000 1.069 841 M CA 1.707 56.737 55.300 -0.450 0.000 1.102 841 M CB -0.904 31.259 32.600 -0.728 0.000 1.336 841 M HN 0.141 nan 8.290 nan 0.000 0.404 842 E N -0.502 119.564 120.200 -0.223 0.000 2.085 842 E HA -0.196 4.152 4.350 -0.003 0.000 0.194 842 E C 2.233 178.741 176.600 -0.154 0.000 0.994 842 E CA 0.978 57.302 56.400 -0.126 0.000 0.801 842 E CB -0.190 29.464 29.700 -0.077 0.000 0.743 842 E HN 0.493 nan 8.360 nan 0.000 0.453 843 R N 0.388 120.770 120.500 -0.195 0.000 2.092 843 R HA -0.049 4.289 4.340 -0.003 0.000 0.231 843 R C 2.499 178.631 176.300 -0.280 0.000 1.119 843 R CA 0.714 56.691 56.100 -0.204 0.000 0.970 843 R CB -0.215 29.966 30.300 -0.198 0.000 0.864 843 R HN 0.211 nan 8.270 nan 0.000 0.440 844 L N -0.232 120.752 121.223 -0.398 0.000 2.141 844 L HA -0.195 4.143 4.340 -0.003 0.000 0.209 844 L C 2.503 179.037 176.870 -0.560 0.000 1.094 844 L CA 0.764 55.225 54.840 -0.631 0.000 0.763 844 L CB -0.437 40.981 42.059 -1.069 0.000 0.908 844 L HN 0.295 nan 8.230 nan 0.000 0.437 845 C N -0.152 118.964 119.300 -0.308 0.000 2.410 845 C HA -0.147 4.311 4.460 -0.003 0.000 0.281 845 C C 2.889 177.612 174.990 -0.446 0.000 1.318 845 C CA 0.909 59.731 59.018 -0.326 0.000 1.776 845 C CB -1.002 26.706 27.740 -0.053 0.000 1.942 845 C HN 0.456 nan 8.230 nan 0.000 0.508 846 R N -0.567 119.772 120.500 -0.268 0.000 2.123 846 R HA 0.151 4.489 4.340 -0.003 0.000 0.209 846 R C 2.200 178.386 176.300 -0.190 0.000 1.078 846 R CA 0.384 56.369 56.100 -0.192 0.000 1.028 846 R CB -0.375 29.852 30.300 -0.121 0.000 0.939 846 R HN 0.441 nan 8.270 nan 0.000 0.463 847 L N 0.919 122.011 121.223 -0.218 0.000 2.005 847 L HA -0.134 4.204 4.340 -0.003 0.000 0.207 847 L C 2.038 178.792 176.870 -0.192 0.000 1.072 847 L CA 1.220 55.944 54.840 -0.194 0.000 0.744 847 L CB -0.138 41.794 42.059 -0.210 0.000 0.895 847 L HN -0.026 nan 8.230 nan 0.000 0.433 848 V N 0.645 120.406 119.914 -0.255 0.000 2.255 848 V HA -0.194 3.924 4.120 -0.003 0.000 0.247 848 V C -0.141 175.883 176.094 -0.117 0.000 1.051 848 V CA 2.242 64.430 62.300 -0.185 0.000 1.018 848 V CB -1.967 29.741 31.823 -0.192 0.000 0.641 848 V HN 0.386 nan 8.190 nan 0.000 0.445 849 P HA -0.165 nan 4.420 nan 0.000 0.215 849 P C 1.643 178.905 177.300 -0.064 0.000 1.153 849 P CA 1.521 64.577 63.100 -0.074 0.000 0.853 849 P CB 0.070 31.745 31.700 -0.042 0.000 0.788 850 E N -0.145 120.012 120.200 -0.071 0.000 2.038 850 E HA -0.154 4.194 4.350 -0.003 0.000 0.195 850 E C 1.833 178.409 176.600 -0.039 0.000 1.000 850 E CA 1.419 57.791 56.400 -0.047 0.000 0.803 850 E CB -1.256 28.410 29.700 -0.058 0.000 0.750 850 E HN -0.086 nan 8.360 nan 0.000 0.448 851 V N 0.551 120.432 119.914 -0.056 0.000 2.343 851 V HA -0.280 3.838 4.120 -0.003 0.000 0.247 851 V C 2.484 178.570 176.094 -0.014 0.000 1.051 851 V CA 2.159 64.435 62.300 -0.040 0.000 1.036 851 V CB -0.517 31.272 31.823 -0.057 0.000 0.654 851 V HN 0.347 nan 8.190 nan 0.000 0.451 852 M N -0.616 118.963 119.600 -0.036 0.000 2.132 852 M HA -0.168 4.310 4.480 -0.003 0.000 0.263 852 M C 2.186 178.562 176.300 0.126 0.000 1.065 852 M CA 1.782 57.076 55.300 -0.010 0.000 1.122 852 M CB -0.427 32.010 32.600 -0.271 0.000 1.365 852 M HN 0.351 nan 8.290 nan 0.000 0.411 853 E N -0.196 120.040 120.200 0.061 0.000 2.208 853 E HA -0.146 4.202 4.350 -0.003 0.000 0.193 853 E C 1.601 178.241 176.600 0.067 0.000 0.988 853 E CA 0.669 57.133 56.400 0.108 0.000 0.828 853 E CB 0.089 29.820 29.700 0.052 0.000 0.763 853 E HN 0.445 nan 8.360 nan 0.000 0.478 854 Q N -0.488 119.333 119.800 0.034 0.000 2.280 854 Q HA 0.204 4.542 4.340 -0.003 0.000 0.201 854 Q C 1.606 177.609 176.000 0.005 0.000 0.890 854 Q CA 0.216 56.026 55.803 0.010 0.000 0.947 854 Q CB 0.750 29.486 28.738 -0.003 0.000 1.081 854 Q HN 0.198 nan 8.270 nan 0.000 0.502 855 A N 0.944 123.779 122.820 0.025 0.000 1.917 855 A HA -0.038 4.280 4.320 -0.003 0.000 0.219 855 A C 1.305 178.874 177.584 -0.025 0.000 1.182 855 A CA 1.743 53.786 52.037 0.010 0.000 0.633 855 A CB -0.108 18.917 19.000 0.043 0.000 0.819 855 A HN 0.238 nan 8.150 nan 0.000 0.448 856 V N -5.481 114.405 119.914 -0.047 0.000 3.159 856 V HA 0.724 4.842 4.120 -0.003 0.000 0.308 856 V C -0.677 175.364 176.094 -0.088 0.000 1.190 856 V CA -0.574 61.677 62.300 -0.083 0.000 1.037 856 V CB 1.672 33.414 31.823 -0.135 0.000 1.060 856 V HN -0.011 nan 8.190 nan 0.000 0.437 857 T N 3.731 118.229 114.554 -0.094 0.000 2.791 857 T HA 0.716 5.064 4.350 -0.003 0.000 0.288 857 T C -0.315 174.310 174.700 -0.126 0.000 0.999 857 T CA -0.201 61.852 62.100 -0.078 0.000 0.952 857 T CB 0.627 69.474 68.868 -0.035 0.000 0.938 857 T HN 0.632 nan 8.240 nan 0.000 0.444 858 L N 2.159 123.290 121.223 -0.153 0.000 2.347 858 L HA 0.570 4.908 4.340 -0.003 0.000 0.268 858 L C 1.708 178.620 176.870 0.070 0.000 1.019 858 L CA -1.202 53.507 54.840 -0.218 0.000 0.806 858 L CB 1.101 42.938 42.059 -0.369 0.000 1.339 858 L HN 0.499 nan 8.230 nan 0.000 0.463 859 R N -0.141 120.565 120.500 0.342 0.000 2.280 859 R HA 0.032 4.370 4.340 -0.003 0.000 0.207 859 R C -0.146 176.217 176.300 0.106 0.000 1.043 859 R CA 0.379 56.591 56.100 0.188 0.000 1.006 859 R CB -0.109 30.274 30.300 0.138 0.000 0.885 859 R HN 0.510 nan 8.270 nan 0.000 0.467 860 V N -2.702 117.260 119.914 0.080 0.000 3.001 860 V HA 0.583 4.701 4.120 -0.003 0.000 0.314 860 V C -2.796 173.300 176.094 0.003 0.000 1.099 860 V CA -3.202 59.130 62.300 0.053 0.000 0.989 860 V CB 2.145 34.010 31.823 0.069 0.000 1.040 860 V HN -0.202 nan 8.190 nan 0.000 0.434 861 P HA 0.477 nan 4.420 nan 0.000 0.274 861 P C -0.953 176.326 177.300 -0.035 0.000 1.246 861 P CA -0.332 62.770 63.100 0.003 0.000 0.795 861 P CB 0.502 32.222 31.700 0.033 0.000 1.006 862 L N 1.271 122.487 121.223 -0.012 0.000 2.334 862 L HA 0.536 4.874 4.340 -0.003 0.000 0.276 862 L C 0.343 177.252 176.870 0.065 0.000 1.014 862 L CA -0.653 54.193 54.840 0.010 0.000 0.815 862 L CB 1.583 43.674 42.059 0.053 0.000 1.268 862 L HN 0.302 nan 8.230 nan 0.000 0.428 863 K N 2.305 122.760 120.400 0.092 0.000 2.443 863 K HA 0.666 4.984 4.320 -0.003 0.000 0.252 863 K C -1.826 174.828 176.600 0.090 0.000 0.933 863 K CA -0.543 55.793 56.287 0.082 0.000 0.792 863 K CB 2.312 34.852 32.500 0.067 0.000 1.185 863 K HN 0.331 nan 8.250 nan 0.000 0.425 864 V N 3.742 123.680 119.914 0.040 0.000 2.487 864 V HA 0.303 4.421 4.120 -0.003 0.000 0.298 864 V C -0.703 175.422 176.094 0.051 0.000 1.028 864 V CA -0.906 61.380 62.300 -0.023 0.000 0.860 864 V CB 1.813 33.546 31.823 -0.149 0.000 0.991 864 V HN 0.832 nan 8.190 nan 0.000 0.427 865 D N 2.969 123.369 120.400 0.001 0.000 2.326 865 D HA 0.656 5.294 4.640 -0.003 0.000 0.251 865 D C -0.944 175.275 176.300 -0.136 0.000 1.023 865 D CA 0.143 54.071 54.000 -0.120 0.000 0.966 865 D CB 2.242 42.961 40.800 -0.136 0.000 1.156 865 D HN 0.596 nan 8.370 nan 0.000 0.494 866 Y N -2.406 117.601 120.300 -0.488 0.000 2.609 866 Y HA 0.593 5.141 4.550 -0.003 0.000 0.336 866 Y C -1.023 174.272 175.900 -1.009 0.000 1.129 866 Y CA -0.969 56.764 58.100 -0.610 0.000 1.040 866 Y CB 1.549 39.760 38.460 -0.415 0.000 1.310 866 Y HN 0.289 nan 8.280 nan 0.000 0.460 867 H N 0.718 119.615 119.070 -0.288 0.000 3.037 867 H HA 0.467 5.021 4.556 -0.004 0.000 0.355 867 H C -1.799 173.395 175.328 -0.223 0.000 1.263 867 H CA -0.952 54.944 56.048 -0.254 0.000 1.129 867 H CB 2.685 32.319 29.762 -0.213 0.000 1.861 867 H HN 0.893 nan 8.280 nan 0.000 0.546 868 Y N -1.243 119.043 120.300 -0.024 0.000 2.597 868 Y HA 0.752 5.299 4.550 -0.003 0.000 0.340 868 Y C -0.379 175.576 175.900 0.091 0.000 1.097 868 Y CA -0.785 57.331 58.100 0.026 0.000 1.037 868 Y CB 1.758 40.288 38.460 0.117 0.000 1.305 868 Y HN 0.949 nan 8.280 nan 0.000 0.463 869 G N -0.057 108.917 108.800 0.292 0.000 2.488 869 G HA2 0.346 4.304 3.960 -0.003 0.000 0.301 869 G HA3 0.346 4.304 3.960 -0.003 0.000 0.301 869 G C -0.628 174.412 174.900 0.234 0.000 1.339 869 G CA -0.449 44.773 45.100 0.204 0.000 0.803 869 G HN 0.631 nan 8.290 nan 0.000 0.482 870 S N -0.816 114.999 115.700 0.191 0.000 2.447 870 S HA 0.144 4.612 4.470 -0.003 0.000 0.233 870 S C 1.262 175.978 174.600 0.194 0.000 1.006 870 S CA 1.664 59.971 58.200 0.179 0.000 0.957 870 S CB -0.287 62.997 63.200 0.140 0.000 0.773 870 S HN 1.321 nan 8.310 nan 0.000 0.507 871 T N -3.772 110.920 114.554 0.230 0.000 2.841 871 T HA 0.332 4.679 4.350 -0.003 0.000 0.296 871 T C -0.069 174.857 174.700 0.377 0.000 1.166 871 T CA -0.810 61.461 62.100 0.285 0.000 1.007 871 T CB 0.757 69.786 68.868 0.268 0.000 1.253 871 T HN 0.125 nan 8.240 nan 0.000 0.511 872 W N 0.457 121.880 121.300 0.205 0.000 2.374 872 W HA -0.086 4.572 4.660 -0.003 0.000 0.288 872 W C 1.861 178.456 176.519 0.126 0.000 1.218 872 W CA 0.892 58.327 57.345 0.148 0.000 1.245 872 W CB -1.099 28.436 29.460 0.124 0.000 1.126 872 W HN 0.903 nan 8.180 nan 0.000 0.545 873 Y N 1.598 122.017 120.300 0.198 0.000 2.165 873 Y HA -0.253 4.295 4.550 -0.004 0.000 0.286 873 Y C 2.109 178.022 175.900 0.022 0.000 1.155 873 Y CA 2.626 60.739 58.100 0.021 0.000 1.164 873 Y CB -0.597 37.877 38.460 0.023 0.000 0.978 873 Y HN -0.158 nan 8.280 nan 0.000 0.513 874 D N 0.293 120.848 120.400 0.258 0.000 2.317 874 D HA 0.007 4.645 4.640 -0.003 0.000 0.211 874 D C 1.030 177.345 176.300 0.025 0.000 0.966 874 D CA 0.950 55.023 54.000 0.122 0.000 0.876 874 D CB -0.243 40.667 40.800 0.184 0.000 0.927 874 D HN 0.370 nan 8.370 nan 0.000 0.519 875 A N 1.756 124.637 122.820 0.103 0.000 2.958 875 A HA 0.098 4.416 4.320 -0.003 0.000 0.247 875 A C 0.664 178.242 177.584 -0.010 0.000 1.679 875 A CA -0.054 52.047 52.037 0.107 0.000 1.345 875 A CB -0.806 18.339 19.000 0.241 0.000 1.013 875 A HN 0.202 nan 8.150 nan 0.000 0.641 876 K N 0.000 120.280 120.400 -0.201 0.000 2.780 876 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 876 K CA 0.000 55.976 56.287 -0.519 0.000 0.838 876 K CB 0.000 32.232 32.500 -0.447 0.000 1.064 876 K HN 0.000 nan 8.250 nan 0.000 0.543