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 2zag_1_A DATA FIRST_RESID 487 DATA SEQUENCE ETSGWEDALK WLRENTPEYS TATSWWDYGY WIESSLLGQR RASADGGHAR DATA SEQUENCE DRDHILALFL ARDGNISEVD FESWELNYFL VYLNDWAKFN AISYLGGAIT DATA SEQUENCE RREYNGDESG RGAVTTLLPL PRYGEKYVNL YAKVIVDVSN SSVKVTVGDR DATA SEQUENCE EcDPLXVTFT PSGKTIKGTG TcSDGNAFPY VLHLTPTIGV LAYYKVATAN DATA SEQUENCE FIKLAFGVPA STIPGFSDKL FSNFEPVYES GNVIVYRFTP FGIYKIEENI DATA SEQUENCE NGTWKQVYNL TPGKHELKLY ISAFGRDIEN ATLYIYAINN EKIIEKIKIA DATA SEQUENCE EISHXDYLNE YPIAVNVTLP NATSYRFVLV QKGPIGVLLD APKVNGEIRS DATA SEQUENCE PTNILREGES GEIELKVGVD KDYTADLYLR ATFIYLVRKS GKDNEDYDAA DATA SEQUENCE FEPQXDVFFI TKIGENIQLK EGENTVKVRA ELPEGVISSY KDELQRKYGD DATA SEQUENCE KLIIRGIRVE PVFIAEKEYL XLEVSASA 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 487 E HA 0.000 nan 4.350 nan 0.000 0.291 487 E C 0.000 176.690 176.600 0.149 0.000 1.382 487 E CA 0.000 56.468 56.400 0.113 0.000 0.976 487 E CB 0.000 29.767 29.700 0.111 0.000 0.812 488 T N -0.207 114.438 114.554 0.152 0.000 2.926 488 T HA 0.330 4.680 4.350 0.000 0.000 0.307 488 T C 0.911 175.723 174.700 0.187 0.000 1.059 488 T CA 1.006 63.227 62.100 0.201 0.000 1.122 488 T CB 1.183 70.166 68.868 0.192 0.000 0.972 488 T HN 0.330 nan 8.240 nan 0.000 0.545 489 S N 2.154 117.992 115.700 0.229 0.000 2.618 489 S HA 0.394 4.865 4.470 0.000 0.000 0.242 489 S C 1.362 175.978 174.600 0.027 0.000 0.972 489 S CA 0.466 58.768 58.200 0.170 0.000 1.004 489 S CB -1.031 62.369 63.200 0.334 0.000 0.778 489 S HN 1.227 nan 8.310 nan 0.000 0.459 490 G N 0.112 108.939 108.800 0.046 0.000 2.195 490 G HA2 -0.269 3.691 3.960 0.000 0.000 0.224 490 G HA3 -0.269 3.691 3.960 0.000 0.000 0.224 490 G C 0.702 175.618 174.900 0.026 0.000 0.990 490 G CA 0.070 45.169 45.100 -0.001 0.000 0.639 490 G HN 0.576 nan 8.290 nan 0.000 0.514 491 W N 1.574 122.900 121.300 0.043 0.000 2.318 491 W HA -0.022 4.638 4.660 0.000 0.000 0.313 491 W C 2.762 179.321 176.519 0.067 0.000 1.221 491 W CA 1.795 59.153 57.345 0.023 0.000 1.266 491 W CB 0.003 29.444 29.460 -0.031 0.000 1.150 491 W HN 0.676 nan 8.180 nan 0.000 0.496 492 E N -0.568 119.821 120.200 0.315 0.000 2.106 492 E HA -0.205 4.145 4.350 0.000 0.000 0.192 492 E C 1.503 178.222 176.600 0.198 0.000 0.984 492 E CA 1.552 58.078 56.400 0.211 0.000 0.806 492 E CB -0.660 29.125 29.700 0.143 0.000 0.750 492 E HN 0.202 nan 8.360 nan 0.000 0.458 493 D N 1.179 121.703 120.400 0.207 0.000 2.144 493 D HA -0.110 4.530 4.640 0.000 0.000 0.199 493 D C 1.994 178.490 176.300 0.326 0.000 0.984 493 D CA 1.597 55.745 54.000 0.246 0.000 0.834 493 D CB -0.032 40.924 40.800 0.259 0.000 0.955 493 D HN 0.367 nan 8.370 nan 0.000 0.465 494 A N 0.772 123.796 122.820 0.339 0.000 1.872 494 A HA -0.063 4.257 4.320 0.000 0.000 0.214 494 A C 2.432 180.200 177.584 0.306 0.000 1.187 494 A CA 0.644 52.898 52.037 0.362 0.000 0.614 494 A CB -0.715 18.433 19.000 0.246 0.000 0.826 494 A HN 0.137 nan 8.150 nan 0.000 0.442 495 L N -0.322 121.078 121.223 0.296 0.000 1.994 495 L HA -0.181 4.159 4.340 0.000 0.000 0.208 495 L C 2.639 179.595 176.870 0.143 0.000 1.071 495 L CA 1.752 56.729 54.840 0.227 0.000 0.745 495 L CB -0.475 41.707 42.059 0.204 0.000 0.892 495 L HN 0.350 nan 8.230 nan 0.000 0.431 496 K N -0.329 120.147 120.400 0.126 0.000 2.360 496 K HA -0.254 4.066 4.320 0.000 0.000 0.201 496 K C 1.969 178.588 176.600 0.030 0.000 1.046 496 K CA 1.414 57.737 56.287 0.060 0.000 0.940 496 K CB -0.227 32.312 32.500 0.066 0.000 0.748 496 K HN 0.418 nan 8.250 nan 0.000 0.465 497 W N 0.926 122.129 121.300 -0.162 0.000 2.481 497 W HA -0.019 4.641 4.660 0.000 0.000 0.293 497 W C 1.691 178.055 176.519 -0.258 0.000 1.201 497 W CA 0.545 57.697 57.345 -0.322 0.000 1.328 497 W CB -0.164 28.860 29.460 -0.727 0.000 1.112 497 W HN -0.089 nan 8.180 nan 0.000 0.546 498 L N 1.241 122.520 121.223 0.093 0.000 2.017 498 L HA -0.255 4.085 4.340 0.000 0.000 0.208 498 L C 2.881 179.597 176.870 -0.256 0.000 1.073 498 L CA 2.212 56.992 54.840 -0.099 0.000 0.745 498 L CB -0.988 41.082 42.059 0.019 0.000 0.894 498 L HN 0.108 nan 8.230 nan 0.000 0.432 499 R N 0.573 120.979 120.500 -0.156 0.000 2.127 499 R HA -0.188 4.152 4.340 0.000 0.000 0.238 499 R C 1.291 177.456 176.300 -0.225 0.000 1.134 499 R CA 1.762 57.768 56.100 -0.156 0.000 0.975 499 R CB -0.432 29.809 30.300 -0.098 0.000 0.865 499 R HN 0.437 nan 8.270 nan 0.000 0.447 500 E N -0.245 119.772 120.200 -0.305 0.000 2.463 500 E HA 0.075 4.425 4.350 0.000 0.000 0.193 500 E C -0.161 176.144 176.600 -0.492 0.000 1.041 500 E CA 0.081 56.277 56.400 -0.340 0.000 0.879 500 E CB 0.476 30.000 29.700 -0.294 0.000 0.997 500 E HN 0.504 nan 8.360 nan 0.000 0.478 501 N N -0.234 118.072 118.700 -0.657 0.000 2.081 501 N HA 0.007 4.747 4.740 0.000 0.000 0.230 501 N C -1.023 174.186 175.510 -0.502 0.000 1.351 501 N CA 0.068 52.668 53.050 -0.751 0.000 0.840 501 N CB 1.569 39.126 38.487 -1.550 0.000 1.189 501 N HN 0.008 nan 8.380 nan 0.000 0.503 502 T N -2.570 111.766 114.554 -0.362 0.000 2.903 502 T HA 0.576 4.926 4.350 0.000 0.000 0.299 502 T C -2.956 171.685 174.700 -0.098 0.000 1.093 502 T CA -1.907 60.083 62.100 -0.183 0.000 1.002 502 T CB 1.905 70.607 68.868 -0.277 0.000 1.127 502 T HN -0.319 nan 8.240 nan 0.000 0.488 503 P HA 0.058 nan 4.420 nan 0.000 0.268 503 P C 0.828 178.088 177.300 -0.067 0.000 1.189 503 P CA 0.010 63.113 63.100 0.004 0.000 0.771 503 P CB 0.459 32.220 31.700 0.102 0.000 0.822 504 E N 0.675 120.769 120.200 -0.176 0.000 2.204 504 E HA -0.184 4.166 4.350 0.000 0.000 0.194 504 E C -0.013 176.298 176.600 -0.481 0.000 0.989 504 E CA 1.011 57.168 56.400 -0.404 0.000 0.824 504 E CB -0.080 29.233 29.700 -0.645 0.000 0.756 504 E HN 0.538 nan 8.360 nan 0.000 0.477 505 Y N 0.355 120.680 120.300 0.040 0.000 2.781 505 Y HA 0.307 4.857 4.550 0.000 0.000 0.326 505 Y C 0.216 176.167 175.900 0.084 0.000 1.019 505 Y CA -0.863 57.266 58.100 0.049 0.000 1.372 505 Y CB 0.771 39.252 38.460 0.035 0.000 1.260 505 Y HN -0.142 nan 8.280 nan 0.000 0.546 506 S N 0.373 116.180 115.700 0.178 0.000 2.661 506 S HA 0.552 5.022 4.470 0.000 0.000 0.265 506 S C 0.245 174.978 174.600 0.221 0.000 1.225 506 S CA -0.438 57.901 58.200 0.232 0.000 0.986 506 S CB 0.859 64.217 63.200 0.264 0.000 1.008 506 S HN 0.319 nan 8.310 nan 0.000 0.565 507 T N 0.328 115.044 114.554 0.269 0.000 2.991 507 T HA 0.724 5.074 4.350 0.000 0.000 0.303 507 T C -0.742 174.121 174.700 0.272 0.000 1.015 507 T CA -0.694 61.542 62.100 0.226 0.000 1.007 507 T CB 1.559 70.547 68.868 0.200 0.000 1.034 507 T HN 0.710 nan 8.240 nan 0.000 0.446 508 A N 2.380 125.337 122.820 0.227 0.000 2.386 508 A HA 1.022 5.342 4.320 0.000 0.000 0.308 508 A C -0.228 177.430 177.584 0.124 0.000 1.128 508 A CA -0.914 51.263 52.037 0.233 0.000 0.789 508 A CB 1.526 20.687 19.000 0.269 0.000 1.325 508 A HN 0.874 nan 8.150 nan 0.000 0.437 509 T N 0.245 114.809 114.554 0.018 0.000 2.883 509 T HA 0.792 5.142 4.350 0.000 0.000 0.301 509 T C -0.489 174.065 174.700 -0.243 0.000 1.158 509 T CA -0.295 61.741 62.100 -0.108 0.000 1.007 509 T CB 1.551 70.322 68.868 -0.162 0.000 1.186 509 T HN 1.558 nan 8.240 nan 0.000 0.499 510 S N 0.172 115.801 115.700 -0.118 0.000 2.556 510 S HA 0.574 5.044 4.470 0.000 0.000 0.271 510 S C -1.358 173.368 174.600 0.211 0.000 1.135 510 S CA -1.175 57.081 58.200 0.093 0.000 0.858 510 S CB 1.568 64.955 63.200 0.312 0.000 1.114 510 S HN 0.924 nan 8.310 nan 0.000 0.468 511 W N 3.500 125.004 121.300 0.341 0.000 2.251 511 W HA 0.184 4.844 4.660 0.000 0.000 0.327 511 W C -0.109 176.687 176.519 0.462 0.000 1.361 511 W CA 0.561 58.142 57.345 0.393 0.000 1.234 511 W CB 0.213 29.948 29.460 0.458 0.000 1.212 511 W HN 1.064 nan 8.180 nan 0.000 0.557 512 W N 6.891 127.562 121.300 -1.047 0.000 3.834 512 W HA -0.311 4.349 4.660 0.000 0.000 0.320 512 W C 0.651 176.831 176.519 -0.565 0.000 1.201 512 W CA 1.441 58.231 57.345 -0.924 0.000 0.701 512 W CB -1.913 27.034 29.460 -0.854 0.000 2.264 512 W HN 0.650 nan 8.180 nan 0.000 1.413 513 D N -2.645 117.551 120.400 -0.341 0.000 2.837 513 D HA -0.303 4.337 4.640 0.000 0.000 0.230 513 D C 0.815 176.914 176.300 -0.335 0.000 1.152 513 D CA 1.616 55.402 54.000 -0.357 0.000 0.736 513 D CB -1.782 38.678 40.800 -0.567 0.000 1.084 513 D HN 0.524 nan 8.370 nan 0.000 0.429 514 Y N 0.316 120.415 120.300 -0.335 0.000 2.315 514 Y HA -0.139 4.411 4.550 0.000 0.000 0.288 514 Y C 2.643 178.114 175.900 -0.715 0.000 1.154 514 Y CA 1.662 59.424 58.100 -0.564 0.000 1.229 514 Y CB -0.132 37.884 38.460 -0.739 0.000 0.980 514 Y HN 0.292 nan 8.280 nan 0.000 0.540 515 G N -0.902 107.673 108.800 -0.375 0.000 2.453 515 G HA2 -0.361 3.599 3.960 0.000 0.000 0.215 515 G HA3 -0.361 3.599 3.960 0.000 0.000 0.215 515 G C 1.465 176.322 174.900 -0.072 0.000 1.201 515 G CA 1.099 46.068 45.100 -0.218 0.000 0.784 515 G HN 0.474 nan 8.290 nan 0.000 0.545 516 Y N 0.035 120.259 120.300 -0.127 0.000 2.097 516 Y HA -0.172 4.378 4.550 0.000 0.000 0.282 516 Y C 2.560 178.397 175.900 -0.105 0.000 1.152 516 Y CA 1.748 59.802 58.100 -0.078 0.000 1.136 516 Y CB -0.641 37.794 38.460 -0.043 0.000 0.975 516 Y HN 0.299 nan 8.280 nan 0.000 0.498 517 W N 0.866 121.899 121.300 -0.445 0.000 2.338 517 W HA -0.270 4.390 4.660 0.000 0.000 0.304 517 W C 2.099 178.356 176.519 -0.436 0.000 1.212 517 W CA 2.370 59.391 57.345 -0.540 0.000 1.264 517 W CB -0.365 28.772 29.460 -0.538 0.000 1.142 517 W HN 0.100 nan 8.180 nan 0.000 0.512 518 I N 0.553 121.006 120.570 -0.195 0.000 2.142 518 I HA -0.277 3.893 4.170 0.000 0.000 0.240 518 I C 2.272 178.188 176.117 -0.335 0.000 1.078 518 I CA 1.961 63.099 61.300 -0.270 0.000 1.343 518 I CB -1.557 36.324 38.000 -0.198 0.000 1.046 518 I HN 0.154 nan 8.210 nan 0.000 0.405 519 E N 0.580 120.623 120.200 -0.261 0.000 2.047 519 E HA -0.173 4.177 4.350 0.000 0.000 0.191 519 E C 2.307 178.717 176.600 -0.317 0.000 0.987 519 E CA 1.892 58.163 56.400 -0.215 0.000 0.799 519 E CB 0.151 29.783 29.700 -0.113 0.000 0.752 519 E HN 0.556 nan 8.360 nan 0.000 0.449 520 S N 0.035 115.440 115.700 -0.490 0.000 2.331 520 S HA -0.071 4.399 4.470 0.000 0.000 0.208 520 S C 2.244 176.521 174.600 -0.539 0.000 1.032 520 S CA 1.106 58.985 58.200 -0.534 0.000 0.991 520 S CB -0.503 62.186 63.200 -0.852 0.000 0.980 520 S HN 0.049 nan 8.310 nan 0.000 0.433 521 S N 1.908 117.159 115.700 -0.749 0.000 2.383 521 S HA 0.004 4.474 4.470 0.000 0.000 0.229 521 S C 1.779 175.950 174.600 -0.715 0.000 1.030 521 S CA 1.406 59.146 58.200 -0.767 0.000 1.002 521 S CB -0.551 61.967 63.200 -1.137 0.000 0.829 521 S HN 0.399 nan 8.310 nan 0.000 0.467 522 L N 0.446 121.196 121.223 -0.788 0.000 2.221 522 L HA 0.322 4.662 4.340 0.000 0.000 0.202 522 L C 1.348 178.031 176.870 -0.312 0.000 1.074 522 L CA 1.360 55.874 54.840 -0.542 0.000 0.795 522 L CB -0.059 41.674 42.059 -0.543 0.000 0.960 522 L HN 0.227 nan 8.230 nan 0.000 0.458 523 L N -0.642 120.412 121.223 -0.282 0.000 2.693 523 L HA 0.453 4.793 4.340 0.000 0.000 0.235 523 L C 0.559 177.331 176.870 -0.164 0.000 1.127 523 L CA 0.073 54.806 54.840 -0.178 0.000 0.914 523 L CB -0.531 41.450 42.059 -0.129 0.000 1.193 523 L HN 0.271 nan 8.230 nan 0.000 0.502 524 G N 1.556 110.232 108.800 -0.206 0.000 2.920 524 G HA2 -0.188 3.772 3.960 0.000 0.000 0.210 524 G HA3 -0.188 3.772 3.960 0.000 0.000 0.210 524 G C -0.622 174.198 174.900 -0.134 0.000 0.806 524 G CA -0.158 44.842 45.100 -0.168 0.000 0.853 524 G HN 0.417 nan 8.290 nan 0.000 0.333 525 Q N -0.822 118.895 119.800 -0.139 0.000 2.647 525 Q HA 0.864 5.204 4.340 0.000 0.000 0.283 525 Q C -0.255 175.708 176.000 -0.061 0.000 0.943 525 Q CA 0.034 55.781 55.803 -0.092 0.000 0.813 525 Q CB 1.732 30.419 28.738 -0.086 0.000 1.477 525 Q HN 1.834 nan 8.270 nan 0.000 0.393 526 R N 0.394 120.878 120.500 -0.027 0.000 2.604 526 R HA 0.767 5.107 4.340 0.000 0.000 0.261 526 R C -0.976 175.327 176.300 0.004 0.000 1.080 526 R CA -0.502 55.604 56.100 0.009 0.000 0.917 526 R CB 1.050 31.354 30.300 0.006 0.000 1.252 526 R HN 0.723 nan 8.270 nan 0.000 0.456 527 R N -0.247 120.266 120.500 0.021 0.000 2.580 527 R HA 0.632 4.972 4.340 0.000 0.000 0.285 527 R C 0.116 176.446 176.300 0.050 0.000 0.947 527 R CA 0.780 56.888 56.100 0.013 0.000 1.102 527 R CB 1.534 31.826 30.300 -0.013 0.000 1.696 527 R HN 1.310 nan 8.270 nan 0.000 0.506 528 A N -0.321 122.529 122.820 0.050 0.000 2.566 528 A HA 0.437 4.757 4.320 0.000 0.000 0.290 528 A C 0.122 177.711 177.584 0.008 0.000 1.071 528 A CA -0.147 51.923 52.037 0.055 0.000 0.658 528 A CB 0.493 19.546 19.000 0.089 0.000 1.285 528 A HN 0.088 nan 8.150 nan 0.000 0.427 529 S N -0.527 115.163 115.700 -0.018 0.000 2.537 529 S HA 0.379 4.849 4.470 0.000 0.000 0.240 529 S C 0.737 175.251 174.600 -0.143 0.000 0.981 529 S CA 1.231 59.392 58.200 -0.065 0.000 0.948 529 S CB -0.441 62.719 63.200 -0.066 0.000 0.759 529 S HN 2.327 nan 8.310 nan 0.000 0.531 530 A N 0.047 122.790 122.820 -0.129 0.000 2.604 530 A HA 0.661 4.981 4.320 0.000 0.000 0.295 530 A C -1.080 176.455 177.584 -0.080 0.000 1.067 530 A CA -0.648 51.253 52.037 -0.227 0.000 0.683 530 A CB 0.798 19.637 19.000 -0.268 0.000 1.281 530 A HN 0.102 nan 8.150 nan 0.000 0.407 531 D N -0.481 119.885 120.400 -0.056 0.000 2.480 531 D HA 0.427 5.067 4.640 0.000 0.000 0.243 531 D C 0.658 177.006 176.300 0.081 0.000 1.120 531 D CA 1.090 55.127 54.000 0.062 0.000 0.835 531 D CB 1.221 42.108 40.800 0.145 0.000 1.204 531 D HN 0.934 nan 8.370 nan 0.000 0.513 532 G N -0.687 108.137 108.800 0.041 0.000 2.619 532 G HA2 0.532 4.492 3.960 0.000 0.000 0.305 532 G HA3 0.532 4.492 3.960 0.000 0.000 0.305 532 G C -0.431 174.487 174.900 0.030 0.000 1.330 532 G CA -0.397 44.745 45.100 0.070 0.000 0.789 532 G HN 0.101 nan 8.290 nan 0.000 0.487 533 G N -1.574 107.231 108.800 0.008 0.000 2.539 533 G HA2 0.544 4.504 3.960 0.000 0.000 0.258 533 G HA3 0.544 4.504 3.960 0.000 0.000 0.258 533 G C -0.582 174.329 174.900 0.019 0.000 1.202 533 G CA 0.191 45.210 45.100 -0.134 0.000 0.851 533 G HN 0.679 nan 8.290 nan 0.000 0.556 534 H N -0.303 118.561 119.070 -0.344 0.000 3.742 534 H HA 0.683 5.239 4.556 0.000 0.000 0.342 534 H C 0.565 175.733 175.328 -0.266 0.000 1.682 534 H CA 0.434 56.299 56.048 -0.305 0.000 1.177 534 H CB 0.790 30.353 29.762 -0.332 0.000 1.602 534 H HN 1.246 nan 8.280 nan 0.000 0.699 535 A N -0.661 122.119 122.820 -0.067 0.000 2.598 535 A HA 0.025 4.345 4.320 0.000 0.000 0.678 535 A C 1.626 179.147 177.584 -0.106 0.000 1.018 535 A CA 1.419 53.399 52.037 -0.096 0.000 1.181 535 A CB -1.352 17.587 19.000 -0.101 0.000 3.481 535 A HN 1.207 nan 8.150 nan 0.000 0.561 536 R N 1.283 121.733 120.500 -0.084 0.000 2.355 536 R HA -0.104 4.236 4.340 0.000 0.000 0.219 536 R C 1.295 177.586 176.300 -0.015 0.000 1.107 536 R CA 2.343 58.395 56.100 -0.080 0.000 1.021 536 R CB -1.086 29.177 30.300 -0.062 0.000 0.852 536 R HN 1.317 nan 8.270 nan 0.000 0.475 537 D N -1.164 119.245 120.400 0.016 0.000 2.301 537 D HA -0.058 4.582 4.640 0.000 0.000 0.206 537 D C 1.709 178.088 176.300 0.132 0.000 0.979 537 D CA 0.378 54.440 54.000 0.104 0.000 0.874 537 D CB -0.245 40.584 40.800 0.047 0.000 0.968 537 D HN 0.480 nan 8.370 nan 0.000 0.510 538 R N 0.393 120.917 120.500 0.040 0.000 2.127 538 R HA 0.008 4.348 4.340 0.000 0.000 0.217 538 R C 1.447 177.865 176.300 0.196 0.000 1.074 538 R CA 0.677 56.844 56.100 0.111 0.000 0.991 538 R CB 0.096 30.281 30.300 -0.192 0.000 0.895 538 R HN 0.134 nan 8.270 nan 0.000 0.450 539 D N 0.105 120.520 120.400 0.025 0.000 2.123 539 D HA -0.182 4.458 4.640 0.000 0.000 0.196 539 D C 1.775 178.186 176.300 0.185 0.000 0.992 539 D CA 1.306 55.274 54.000 -0.053 0.000 0.833 539 D CB -0.074 40.577 40.800 -0.250 0.000 0.954 539 D HN 0.319 nan 8.370 nan 0.000 0.455 540 H N -0.185 118.980 119.070 0.157 0.000 2.357 540 H HA -0.051 4.505 4.556 0.000 0.000 0.301 540 H C 2.220 177.664 175.328 0.194 0.000 1.082 540 H CA 0.673 56.805 56.048 0.139 0.000 1.342 540 H CB -0.036 29.751 29.762 0.042 0.000 1.389 540 H HN 0.142 nan 8.280 nan 0.000 0.511 541 I N 0.486 121.286 120.570 0.383 0.000 2.617 541 I HA -0.145 4.025 4.170 0.000 0.000 0.256 541 I C 2.606 178.986 176.117 0.438 0.000 1.167 541 I CA 0.501 62.005 61.300 0.341 0.000 1.469 541 I CB -0.354 37.861 38.000 0.358 0.000 1.098 541 I HN 0.141 nan 8.210 nan 0.000 0.436 542 L N -0.166 121.425 121.223 0.613 0.000 2.056 542 L HA -0.206 4.134 4.340 0.000 0.000 0.207 542 L C 2.600 179.892 176.870 0.703 0.000 1.078 542 L CA 1.533 56.847 54.840 0.790 0.000 0.749 542 L CB -0.481 42.053 42.059 0.792 0.000 0.901 542 L HN 0.266 nan 8.230 nan 0.000 0.433 543 A N -0.259 122.909 122.820 0.580 0.000 1.902 543 A HA -0.249 4.071 4.320 0.000 0.000 0.217 543 A C 2.124 179.783 177.584 0.125 0.000 1.181 543 A CA 1.513 53.678 52.037 0.214 0.000 0.623 543 A CB -0.733 18.347 19.000 0.134 0.000 0.818 543 A HN 0.373 nan 8.150 nan 0.000 0.443 544 L N -1.428 119.906 121.223 0.186 0.000 2.129 544 L HA -0.161 4.179 4.340 0.000 0.000 0.212 544 L C 2.112 179.067 176.870 0.142 0.000 1.087 544 L CA 2.344 57.250 54.840 0.110 0.000 0.757 544 L CB -0.605 41.510 42.059 0.094 0.000 0.896 544 L HN 0.477 nan 8.230 nan 0.000 0.434 545 F N -0.941 119.076 119.950 0.112 0.000 2.147 545 F HA -0.052 4.475 4.527 0.000 0.000 0.291 545 F C 2.006 177.880 175.800 0.124 0.000 1.093 545 F CA 1.392 59.472 58.000 0.133 0.000 1.263 545 F CB -0.378 38.772 39.000 0.249 0.000 1.036 545 F HN -0.034 nan 8.300 nan 0.000 0.481 546 L N 0.220 121.385 121.223 -0.096 0.000 2.046 546 L HA -0.167 4.173 4.340 0.000 0.000 0.208 546 L C 2.601 179.432 176.870 -0.065 0.000 1.077 546 L CA 1.423 56.168 54.840 -0.159 0.000 0.747 546 L CB -1.090 41.034 42.059 0.108 0.000 0.896 546 L HN 0.316 nan 8.230 nan 0.000 0.432 547 A N -1.110 121.635 122.820 -0.124 0.000 2.132 547 A HA 0.055 4.375 4.320 0.000 0.000 0.213 547 A C 1.239 178.810 177.584 -0.022 0.000 1.154 547 A CA 0.274 52.267 52.037 -0.073 0.000 0.753 547 A CB -0.036 18.797 19.000 -0.279 0.000 0.826 547 A HN 0.166 nan 8.150 nan 0.000 0.469 548 R N -0.089 120.363 120.500 -0.080 0.000 2.867 548 R HA 0.583 4.923 4.340 0.000 0.000 0.227 548 R C -0.998 175.214 176.300 -0.147 0.000 1.372 548 R CA -0.569 55.477 56.100 -0.091 0.000 1.083 548 R CB 0.080 30.340 30.300 -0.066 0.000 1.596 548 R HN 0.374 nan 8.270 nan 0.000 0.522 549 D N -1.483 118.799 120.400 -0.197 0.000 2.663 549 D HA 0.387 5.027 4.640 0.000 0.000 0.233 549 D C -0.158 175.836 176.300 -0.511 0.000 1.240 549 D CA 0.449 54.203 54.000 -0.409 0.000 0.774 549 D CB 2.067 42.620 40.800 -0.411 0.000 1.443 549 D HN 0.555 nan 8.370 nan 0.000 0.441 550 G N 2.306 110.454 108.800 -1.086 0.000 2.725 550 G HA2 -0.279 3.681 3.960 0.000 0.000 0.220 550 G HA3 -0.279 3.681 3.960 0.000 0.000 0.220 550 G C 0.895 175.790 174.900 -0.009 0.000 1.357 550 G CA 0.268 45.039 45.100 -0.548 0.000 0.866 550 G HN 0.586 nan 8.290 nan 0.000 0.548 551 N N -0.392 118.321 118.700 0.021 0.000 2.064 551 N HA -0.195 4.545 4.740 0.000 0.000 0.200 551 N C 2.282 177.798 175.510 0.009 0.000 1.028 551 N CA 1.930 54.987 53.050 0.012 0.000 0.880 551 N CB -0.336 38.123 38.487 -0.047 0.000 1.062 551 N HN 0.696 nan 8.380 nan 0.000 0.454 552 I N 1.007 121.568 120.570 -0.015 0.000 3.010 552 I HA -0.174 3.996 4.170 0.000 0.000 0.271 552 I C 1.403 177.526 176.117 0.010 0.000 1.293 552 I CA 0.774 62.068 61.300 -0.011 0.000 1.452 552 I CB -0.068 37.912 38.000 -0.032 0.000 1.082 552 I HN 0.179 nan 8.210 nan 0.000 0.484 553 S N -1.371 114.362 115.700 0.055 0.000 2.535 553 S HA 0.131 4.601 4.470 0.000 0.000 0.214 553 S C 0.747 175.449 174.600 0.169 0.000 0.980 553 S CA -0.401 57.882 58.200 0.139 0.000 0.907 553 S CB -0.129 63.175 63.200 0.173 0.000 0.790 553 S HN 0.380 nan 8.310 nan 0.000 0.510 554 E N 2.274 122.451 120.200 -0.040 0.000 1.774 554 E HA 0.191 4.541 4.350 0.000 0.000 0.265 554 E C -0.888 175.476 176.600 -0.392 0.000 1.207 554 E CA -0.120 55.964 56.400 -0.526 0.000 1.054 554 E CB 0.588 30.041 29.700 -0.413 0.000 1.074 554 E HN 0.188 nan 8.360 nan 0.000 0.433 555 V N 2.551 122.230 119.914 -0.391 0.000 2.649 555 V HA -0.032 4.088 4.120 0.000 0.000 0.292 555 V C 0.404 176.066 176.094 -0.720 0.000 1.055 555 V CA -0.253 61.726 62.300 -0.535 0.000 1.023 555 V CB 1.594 32.999 31.823 -0.696 0.000 0.992 555 V HN 0.460 nan 8.190 nan 0.000 0.480 556 D N 4.481 124.514 120.400 -0.611 0.000 2.600 556 D HA 0.100 4.740 4.640 0.000 0.000 0.226 556 D C 0.919 176.854 176.300 -0.607 0.000 1.119 556 D CA 0.329 54.027 54.000 -0.504 0.000 1.051 556 D CB -0.418 40.177 40.800 -0.343 0.000 1.106 556 D HN 0.526 nan 8.370 nan 0.000 0.491 557 F N 0.381 119.977 119.950 -0.591 0.000 2.333 557 F HA -0.132 4.395 4.527 0.000 0.000 0.300 557 F C 2.255 177.867 175.800 -0.313 0.000 1.083 557 F CA 0.256 57.756 58.000 -0.832 0.000 1.395 557 F CB 0.244 38.484 39.000 -1.268 0.000 1.056 557 F HN 0.258 nan 8.300 nan 0.000 0.529 558 E N 0.554 120.850 120.200 0.161 0.000 2.110 558 E HA -0.217 4.133 4.350 0.000 0.000 0.193 558 E C 2.185 178.913 176.600 0.214 0.000 0.988 558 E CA 1.395 57.956 56.400 0.268 0.000 0.804 558 E CB -0.426 29.380 29.700 0.177 0.000 0.745 558 E HN 0.106 nan 8.360 nan 0.000 0.458 559 S N -0.912 114.856 115.700 0.113 0.000 2.493 559 S HA -0.124 4.346 4.470 0.000 0.000 0.243 559 S C 0.696 175.528 174.600 0.387 0.000 0.991 559 S CA 1.080 59.391 58.200 0.185 0.000 0.957 559 S CB -0.376 62.887 63.200 0.104 0.000 0.756 559 S HN 0.470 nan 8.310 nan 0.000 0.521 560 W N 1.196 122.569 121.300 0.123 0.000 3.127 560 W HA 0.508 5.169 4.660 0.000 0.000 0.344 560 W C 0.706 177.300 176.519 0.124 0.000 1.151 560 W CA -0.755 56.655 57.345 0.110 0.000 1.765 560 W CB -0.591 28.948 29.460 0.133 0.000 1.085 560 W HN 0.195 nan 8.180 nan 0.000 0.596 561 E N 0.914 121.329 120.200 0.358 0.000 2.271 561 E HA -0.239 4.111 4.350 0.000 0.000 0.223 561 E C -0.664 176.114 176.600 0.297 0.000 1.223 561 E CA 0.320 56.892 56.400 0.287 0.000 0.704 561 E CB -1.346 28.484 29.700 0.217 0.000 1.194 561 E HN 0.242 nan 8.360 nan 0.000 0.375 562 L N 1.533 122.957 121.223 0.334 0.000 2.350 562 L HA 0.348 4.688 4.340 0.000 0.000 0.275 562 L C 0.930 177.964 176.870 0.272 0.000 1.099 562 L CA 0.367 55.373 54.840 0.276 0.000 0.808 562 L CB 0.983 43.118 42.059 0.127 0.000 1.149 562 L HN 0.168 nan 8.230 nan 0.000 0.442 563 N N 2.211 121.028 118.700 0.195 0.000 2.474 563 N HA 0.197 4.937 4.740 0.000 0.000 0.224 563 N C -1.273 174.031 175.510 -0.344 0.000 1.092 563 N CA 0.043 53.100 53.050 0.013 0.000 0.844 563 N CB 0.318 38.910 38.487 0.176 0.000 1.381 563 N HN 0.499 nan 8.380 nan 0.000 0.458 564 Y N -0.484 119.948 120.300 0.221 0.000 2.512 564 Y HA 0.491 5.041 4.550 0.000 0.000 0.348 564 Y C -1.484 174.572 175.900 0.260 0.000 0.990 564 Y CA -1.177 57.082 58.100 0.264 0.000 1.033 564 Y CB 1.803 40.426 38.460 0.271 0.000 1.259 564 Y HN -0.155 nan 8.280 nan 0.000 0.461 565 F N 4.356 124.512 119.950 0.342 0.000 2.518 565 F HA 0.611 5.138 4.527 0.000 0.000 0.323 565 F C -1.707 174.344 175.800 0.419 0.000 1.129 565 F CA -1.073 57.103 58.000 0.293 0.000 0.920 565 F CB 0.899 40.019 39.000 0.201 0.000 1.160 565 F HN 0.194 nan 8.300 nan 0.000 0.440 566 L N 7.993 129.519 121.223 0.505 0.000 2.277 566 L HA 0.392 4.732 4.340 0.000 0.000 0.284 566 L C -0.260 177.024 176.870 0.690 0.000 1.028 566 L CA -0.981 54.202 54.840 0.573 0.000 0.835 566 L CB 0.534 42.892 42.059 0.497 0.000 1.215 566 L HN 0.416 nan 8.230 nan 0.000 0.425 567 V N 1.232 121.570 119.914 0.707 0.000 2.546 567 V HA 0.402 4.522 4.120 0.000 0.000 0.284 567 V C -0.672 175.674 176.094 0.421 0.000 1.050 567 V CA -0.647 62.025 62.300 0.620 0.000 0.981 567 V CB 1.357 33.368 31.823 0.314 0.000 0.990 567 V HN 0.586 nan 8.190 nan 0.000 0.474 568 Y N 5.149 125.664 120.300 0.358 0.000 2.402 568 Y HA 0.547 5.097 4.550 0.000 0.000 0.332 568 Y C 0.480 176.545 175.900 0.274 0.000 0.960 568 Y CA -1.669 56.540 58.100 0.182 0.000 1.228 568 Y CB 1.407 40.066 38.460 0.331 0.000 1.120 568 Y HN 0.620 nan 8.280 nan 0.000 0.491 569 L N 3.983 125.238 121.223 0.053 0.000 2.064 569 L HA -0.336 4.004 4.340 0.000 0.000 0.216 569 L C 1.679 178.655 176.870 0.177 0.000 1.077 569 L CA 1.827 56.694 54.840 0.044 0.000 0.766 569 L CB -0.940 41.152 42.059 0.054 0.000 0.890 569 L HN 0.632 nan 8.230 nan 0.000 0.435 570 N N -0.379 118.065 118.700 -0.426 0.000 2.430 570 N HA -0.170 4.570 4.740 0.000 0.000 0.186 570 N C 1.251 176.497 175.510 -0.440 0.000 1.032 570 N CA 0.962 53.711 53.050 -0.502 0.000 0.893 570 N CB -0.444 37.447 38.487 -0.993 0.000 0.957 570 N HN 0.382 nan 8.380 nan 0.000 0.442 571 D N 0.100 120.399 120.400 -0.168 0.000 2.384 571 D HA -0.137 4.503 4.640 0.000 0.000 0.222 571 D C 1.615 177.829 176.300 -0.144 0.000 0.976 571 D CA 0.241 54.228 54.000 -0.022 0.000 0.915 571 D CB -0.254 40.672 40.800 0.210 0.000 0.896 571 D HN 0.604 nan 8.370 nan 0.000 0.523 572 W N 1.066 122.392 121.300 0.044 0.000 2.374 572 W HA -0.075 4.585 4.660 0.000 0.000 0.288 572 W C 1.639 178.183 176.519 0.041 0.000 1.218 572 W CA 0.852 58.229 57.345 0.053 0.000 1.245 572 W CB -0.952 28.675 29.460 0.278 0.000 1.126 572 W HN -0.065 nan 8.180 nan 0.000 0.545 573 A N 1.642 123.785 122.820 -1.130 0.000 2.070 573 A HA -0.155 4.165 4.320 0.000 0.000 0.220 573 A C 1.998 179.335 177.584 -0.412 0.000 1.159 573 A CA 1.627 52.997 52.037 -1.112 0.000 0.656 573 A CB -0.532 17.743 19.000 -1.208 0.000 0.800 573 A HN 0.447 nan 8.150 nan 0.000 0.453 574 K N -2.224 118.016 120.400 -0.268 0.000 2.358 574 K HA 0.229 4.549 4.320 0.000 0.000 0.200 574 K C 0.817 177.307 176.600 -0.183 0.000 1.030 574 K CA -0.254 55.926 56.287 -0.178 0.000 1.097 574 K CB 0.051 32.472 32.500 -0.132 0.000 0.862 574 K HN 0.334 nan 8.250 nan 0.000 0.534 575 F N 2.988 122.765 119.950 -0.289 0.000 2.346 575 F HA -0.192 4.335 4.527 0.000 0.000 0.301 575 F C 1.705 177.416 175.800 -0.149 0.000 1.070 575 F CA 1.258 59.078 58.000 -0.299 0.000 1.407 575 F CB -0.174 38.688 39.000 -0.230 0.000 1.072 575 F HN 0.194 nan 8.300 nan 0.000 0.543 576 N N -0.432 118.290 118.700 0.037 0.000 2.142 576 N HA -0.149 4.591 4.740 0.000 0.000 0.186 576 N C 2.025 177.634 175.510 0.165 0.000 1.023 576 N CA 0.971 54.072 53.050 0.086 0.000 0.852 576 N CB -0.108 38.403 38.487 0.039 0.000 0.998 576 N HN 0.339 nan 8.380 nan 0.000 0.424 577 A N 1.560 124.456 122.820 0.126 0.000 1.872 577 A HA -0.036 4.284 4.320 0.000 0.000 0.214 577 A C 2.138 179.651 177.584 -0.118 0.000 1.187 577 A CA 0.685 52.811 52.037 0.148 0.000 0.614 577 A CB -0.575 18.500 19.000 0.126 0.000 0.826 577 A HN 0.199 nan 8.150 nan 0.000 0.442 578 I N -0.088 120.203 120.570 -0.464 0.000 2.194 578 I HA -0.262 3.908 4.170 0.000 0.000 0.246 578 I C 2.571 178.306 176.117 -0.638 0.000 1.093 578 I CA 1.638 62.408 61.300 -0.883 0.000 1.355 578 I CB -0.372 36.707 38.000 -1.535 0.000 1.046 578 I HN 0.230 nan 8.210 nan 0.000 0.413 579 S N -0.469 114.891 115.700 -0.567 0.000 2.402 579 S HA -0.176 4.294 4.470 0.000 0.000 0.229 579 S C 1.866 176.426 174.600 -0.066 0.000 1.021 579 S CA 0.900 58.919 58.200 -0.302 0.000 0.974 579 S CB -0.278 62.851 63.200 -0.118 0.000 0.800 579 S HN 0.423 nan 8.310 nan 0.000 0.484 580 Y N 2.289 122.494 120.300 -0.158 0.000 2.184 580 Y HA 0.080 4.630 4.550 0.000 0.000 0.290 580 Y C 1.763 177.622 175.900 -0.068 0.000 1.129 580 Y CA 1.008 59.027 58.100 -0.134 0.000 1.144 580 Y CB -0.619 37.635 38.460 -0.343 0.000 0.995 580 Y HN 0.130 nan 8.280 nan 0.000 0.513 581 L N -0.607 120.496 121.223 -0.199 0.000 2.131 581 L HA -0.130 4.210 4.340 0.000 0.000 0.210 581 L C 2.385 179.283 176.870 0.047 0.000 1.092 581 L CA 1.269 56.057 54.840 -0.087 0.000 0.759 581 L CB -1.026 41.018 42.059 -0.024 0.000 0.903 581 L HN 0.375 nan 8.230 nan 0.000 0.435 582 G N -1.081 107.691 108.800 -0.048 0.000 2.920 582 G HA2 0.184 4.144 3.960 0.000 0.000 0.208 582 G HA3 0.184 4.144 3.960 0.000 0.000 0.208 582 G C 1.259 176.128 174.900 -0.053 0.000 1.159 582 G CA 0.396 45.476 45.100 -0.033 0.000 0.784 582 G HN 0.505 nan 8.290 nan 0.000 0.535 583 G N -0.766 107.989 108.800 -0.076 0.000 2.198 583 G HA2 -0.055 3.905 3.960 0.000 0.000 0.260 583 G HA3 -0.055 3.905 3.960 0.000 0.000 0.260 583 G C 1.139 176.006 174.900 -0.054 0.000 1.025 583 G CA 0.931 45.988 45.100 -0.072 0.000 0.769 583 G HN 1.088 nan 8.290 nan 0.000 0.507 584 A N -0.678 122.118 122.820 -0.040 0.000 1.903 584 A HA 0.627 4.947 4.320 0.000 0.000 0.213 584 A C 1.490 179.067 177.584 -0.011 0.000 1.185 584 A CA 1.479 53.493 52.037 -0.039 0.000 0.628 584 A CB -0.033 18.946 19.000 -0.035 0.000 0.830 584 A HN 1.568 nan 8.150 nan 0.000 0.446 585 I N -2.898 117.703 120.570 0.052 0.000 3.133 585 I HA 0.651 4.821 4.170 0.000 0.000 0.311 585 I C 0.170 176.368 176.117 0.135 0.000 1.072 585 I CA -0.468 60.881 61.300 0.082 0.000 1.015 585 I CB 1.882 39.925 38.000 0.073 0.000 1.233 585 I HN 0.154 nan 8.210 nan 0.000 0.473 586 T N -0.875 113.741 114.554 0.102 0.000 2.897 586 T HA 0.366 4.716 4.350 0.000 0.000 0.278 586 T C 0.926 175.686 174.700 0.100 0.000 0.981 586 T CA -0.526 61.635 62.100 0.102 0.000 0.973 586 T CB 1.635 70.534 68.868 0.051 0.000 1.092 586 T HN 0.805 nan 8.240 nan 0.000 0.543 587 R N -0.284 120.272 120.500 0.094 0.000 2.096 587 R HA -0.071 4.269 4.340 0.000 0.000 0.235 587 R C 2.674 179.053 176.300 0.133 0.000 1.127 587 R CA 1.305 57.388 56.100 -0.029 0.000 0.968 587 R CB -0.216 30.141 30.300 0.094 0.000 0.861 587 R HN 0.754 nan 8.270 nan 0.000 0.440 588 R N 0.829 121.437 120.500 0.181 0.000 2.066 588 R HA -0.131 4.209 4.340 0.000 0.000 0.232 588 R C 1.548 177.838 176.300 -0.016 0.000 1.131 588 R CA 1.909 58.059 56.100 0.084 0.000 0.955 588 R CB -0.044 30.284 30.300 0.046 0.000 0.851 588 R HN 0.337 nan 8.270 nan 0.000 0.432 589 E N -0.640 119.549 120.200 -0.018 0.000 2.338 589 E HA -0.217 4.133 4.350 0.000 0.000 0.197 589 E C 1.497 178.031 176.600 -0.109 0.000 1.007 589 E CA 0.855 57.192 56.400 -0.105 0.000 0.849 589 E CB -0.160 29.454 29.700 -0.143 0.000 0.774 589 E HN 0.455 nan 8.360 nan 0.000 0.506 590 Y N 1.421 121.608 120.300 -0.189 0.000 2.176 590 Y HA -0.035 4.515 4.550 0.000 0.000 0.291 590 Y C 1.245 177.043 175.900 -0.171 0.000 1.122 590 Y CA 1.455 59.416 58.100 -0.232 0.000 1.128 590 Y CB 0.327 38.473 38.460 -0.523 0.000 1.005 590 Y HN -0.124 nan 8.280 nan 0.000 0.509 591 N N 0.492 118.925 118.700 -0.444 0.000 2.361 591 N HA 0.261 5.001 4.740 0.000 0.000 0.253 591 N C -0.797 174.597 175.510 -0.194 0.000 1.413 591 N CA 0.707 53.489 53.050 -0.447 0.000 0.821 591 N CB 0.828 38.932 38.487 -0.639 0.000 1.380 591 N HN 0.634 nan 8.380 nan 0.000 0.493 592 G N 1.152 109.860 108.800 -0.154 0.000 2.785 592 G HA2 -0.216 3.744 3.960 0.000 0.000 0.685 592 G HA3 -0.216 3.744 3.960 0.000 0.000 0.685 592 G C -0.410 174.292 174.900 -0.331 0.000 1.480 592 G CA -0.132 44.858 45.100 -0.183 0.000 0.915 592 G HN 0.465 nan 8.290 nan 0.000 0.576 593 D N -0.299 119.762 120.400 -0.565 0.000 2.425 593 D HA 0.372 5.012 4.640 0.000 0.000 0.274 593 D C 1.782 177.654 176.300 -0.713 0.000 1.242 593 D CA 0.242 53.470 54.000 -1.286 0.000 1.060 593 D CB 0.118 40.338 40.800 -0.966 0.000 1.112 593 D HN 0.661 nan 8.370 nan 0.000 0.561 594 E N -0.065 119.802 120.200 -0.555 0.000 2.171 594 E HA -0.206 4.144 4.350 0.000 0.000 0.197 594 E C 0.941 177.486 176.600 -0.092 0.000 0.997 594 E CA 1.606 57.945 56.400 -0.103 0.000 0.810 594 E CB -0.839 28.891 29.700 0.050 0.000 0.738 594 E HN 0.387 nan 8.360 nan 0.000 0.467 595 S N -0.258 115.363 115.700 -0.132 0.000 2.602 595 S HA 0.455 4.925 4.470 0.000 0.000 0.246 595 S C 1.219 175.762 174.600 -0.094 0.000 1.009 595 S CA 0.003 58.152 58.200 -0.085 0.000 1.052 595 S CB -0.209 62.950 63.200 -0.069 0.000 0.778 595 S HN 0.484 nan 8.310 nan 0.000 0.455 596 G N 1.732 110.464 108.800 -0.114 0.000 2.361 596 G HA2 -0.295 3.665 3.960 0.000 0.000 0.294 596 G HA3 -0.295 3.665 3.960 0.000 0.000 0.294 596 G C 0.005 174.843 174.900 -0.102 0.000 1.004 596 G CA 0.241 45.280 45.100 -0.102 0.000 0.870 596 G HN 0.648 nan 8.290 nan 0.000 0.510 597 R N -1.635 118.789 120.500 -0.127 0.000 2.740 597 R HA 0.631 4.971 4.340 0.000 0.000 0.282 597 R C 1.064 177.299 176.300 -0.110 0.000 0.969 597 R CA -0.172 55.869 56.100 -0.097 0.000 0.918 597 R CB 1.893 32.148 30.300 -0.075 0.000 1.175 597 R HN 0.916 nan 8.270 nan 0.000 0.464 598 G N 0.750 109.507 108.800 -0.072 0.000 2.339 598 G HA2 -0.254 3.706 3.960 0.000 0.000 0.209 598 G HA3 -0.254 3.706 3.960 0.000 0.000 0.209 598 G C 0.297 175.156 174.900 -0.070 0.000 1.015 598 G CA -0.214 44.850 45.100 -0.059 0.000 0.635 598 G HN 0.866 nan 8.290 nan 0.000 0.499 599 A N -0.053 122.708 122.820 -0.098 0.000 2.615 599 A HA 0.509 4.829 4.320 0.000 0.000 0.230 599 A C 0.647 178.167 177.584 -0.107 0.000 1.062 599 A CA 1.431 53.394 52.037 -0.124 0.000 0.758 599 A CB 0.352 19.269 19.000 -0.139 0.000 0.995 599 A HN 1.443 nan 8.150 nan 0.000 0.511 600 V N 0.121 119.942 119.914 -0.156 0.000 3.167 600 V HA 0.561 4.681 4.120 0.000 0.000 0.310 600 V C 0.155 176.203 176.094 -0.077 0.000 1.207 600 V CA -0.574 61.633 62.300 -0.156 0.000 1.059 600 V CB 2.413 33.915 31.823 -0.534 0.000 1.079 600 V HN 0.863 nan 8.190 nan 0.000 0.446 601 T N 1.162 115.752 114.554 0.059 0.000 3.154 601 T HA 0.198 4.548 4.350 0.000 0.000 0.381 601 T C 1.218 176.024 174.700 0.177 0.000 1.368 601 T CA 0.350 62.531 62.100 0.135 0.000 1.155 601 T CB 0.569 69.551 68.868 0.191 0.000 1.120 601 T HN 1.060 nan 8.240 nan 0.000 0.570 602 T N 1.827 116.439 114.554 0.097 0.000 2.624 602 T HA -0.059 4.291 4.350 0.000 0.000 0.268 602 T C 0.688 175.488 174.700 0.167 0.000 1.041 602 T CA 0.987 63.178 62.100 0.151 0.000 1.159 602 T CB -0.197 68.821 68.868 0.251 0.000 0.863 602 T HN 0.397 nan 8.240 nan 0.000 0.434 603 L N 0.486 121.816 121.223 0.178 0.000 2.401 603 L HA 0.747 5.087 4.340 0.000 0.000 0.266 603 L C -1.440 175.515 176.870 0.142 0.000 0.991 603 L CA -1.265 53.631 54.840 0.092 0.000 0.818 603 L CB 2.428 44.459 42.059 -0.047 0.000 1.321 603 L HN 0.192 nan 8.230 nan 0.000 0.413 604 L N 5.342 126.536 121.223 -0.049 0.000 2.528 604 L HA 0.614 4.954 4.340 0.000 0.000 0.267 604 L C -2.658 173.933 176.870 -0.466 0.000 0.961 604 L CA -1.058 53.635 54.840 -0.244 0.000 0.866 604 L CB 2.628 44.633 42.059 -0.091 0.000 1.248 604 L HN 0.216 nan 8.230 nan 0.000 0.404 605 P HA 0.368 nan 4.420 nan 0.000 0.288 605 P C -1.329 175.672 177.300 -0.499 0.000 1.267 605 P CA -0.357 62.266 63.100 -0.795 0.000 0.815 605 P CB 1.463 32.533 31.700 -1.050 0.000 0.989 606 L N 4.735 125.747 121.223 -0.352 0.000 2.384 606 L HA 0.411 4.751 4.340 0.000 0.000 0.261 606 L C -2.436 174.423 176.870 -0.020 0.000 1.024 606 L CA -2.405 52.347 54.840 -0.145 0.000 0.899 606 L CB 1.553 43.560 42.059 -0.086 0.000 1.243 606 L HN 0.120 nan 8.230 nan 0.000 0.449 607 P HA 0.154 nan 4.420 nan 0.000 0.272 607 P C -0.094 177.235 177.300 0.049 0.000 1.230 607 P CA -0.489 62.612 63.100 0.002 0.000 0.788 607 P CB 0.577 32.255 31.700 -0.037 0.000 0.949 608 R N 1.085 121.574 120.500 -0.018 0.000 2.822 608 R HA 0.101 4.441 4.340 0.000 0.000 0.277 608 R C 0.145 176.386 176.300 -0.098 0.000 1.102 608 R CA 0.415 56.406 56.100 -0.182 0.000 1.207 608 R CB -0.301 29.852 30.300 -0.245 0.000 1.139 608 R HN 0.618 nan 8.270 nan 0.000 0.557 609 Y N -2.273 117.903 120.300 -0.208 0.000 2.472 609 Y HA 0.208 4.758 4.550 0.000 0.000 0.283 609 Y C -0.217 175.606 175.900 -0.127 0.000 1.038 609 Y CA 0.733 58.757 58.100 -0.125 0.000 1.126 609 Y CB 1.084 39.489 38.460 -0.091 0.000 1.374 609 Y HN 0.821 nan 8.280 nan 0.000 0.576 610 G N 1.557 110.364 108.800 0.012 0.000 2.594 610 G HA2 0.177 4.137 3.960 0.000 0.000 0.422 610 G HA3 0.177 4.137 3.960 0.000 0.000 0.422 610 G C -0.235 174.633 174.900 -0.054 0.000 1.190 610 G CA -0.210 44.878 45.100 -0.020 0.000 1.234 610 G HN 0.044 nan 8.290 nan 0.000 0.584 611 E N -1.249 118.881 120.200 -0.118 0.000 3.799 611 E HA -0.224 4.126 4.350 0.000 0.000 0.320 611 E C 0.615 177.174 176.600 -0.069 0.000 0.760 611 E CA 2.306 58.661 56.400 -0.074 0.000 1.153 611 E CB -0.900 28.785 29.700 -0.026 0.000 1.589 611 E HN 0.905 nan 8.360 nan 0.000 0.448 612 K N -0.519 119.803 120.400 -0.131 0.000 2.427 612 K HA 0.506 4.826 4.320 0.000 0.000 0.252 612 K C -1.202 175.318 176.600 -0.134 0.000 0.931 612 K CA -0.675 55.576 56.287 -0.061 0.000 0.793 612 K CB 1.533 34.000 32.500 -0.054 0.000 1.211 612 K HN -0.115 nan 8.250 nan 0.000 0.426 613 Y N 0.964 121.277 120.300 0.023 0.000 2.341 613 Y HA 0.526 5.076 4.550 0.000 0.000 0.338 613 Y C -0.525 175.376 175.900 0.000 0.000 0.965 613 Y CA -0.850 57.255 58.100 0.009 0.000 1.108 613 Y CB 2.096 40.535 38.460 -0.034 0.000 1.180 613 Y HN 0.184 nan 8.280 nan 0.000 0.458 614 V N 4.609 124.617 119.914 0.156 0.000 2.777 614 V HA 0.445 4.565 4.120 0.000 0.000 0.306 614 V C -1.546 174.585 176.094 0.061 0.000 1.112 614 V CA -0.653 61.703 62.300 0.093 0.000 0.917 614 V CB 1.978 33.853 31.823 0.085 0.000 1.018 614 V HN 0.832 nan 8.190 nan 0.000 0.426 615 N N 5.621 124.332 118.700 0.019 0.000 2.558 615 N HA 0.156 4.896 4.740 0.000 0.000 0.233 615 N C 0.702 176.249 175.510 0.062 0.000 1.038 615 N CA -0.343 52.712 53.050 0.008 0.000 0.934 615 N CB 1.312 39.772 38.487 -0.045 0.000 1.175 615 N HN 0.774 nan 8.380 nan 0.000 0.512 616 L N 5.330 126.610 121.223 0.095 0.000 1.997 616 L HA -0.206 4.134 4.340 0.000 0.000 0.216 616 L C 1.783 178.721 176.870 0.114 0.000 1.074 616 L CA 1.923 56.825 54.840 0.104 0.000 0.763 616 L CB -1.271 40.865 42.059 0.128 0.000 0.890 616 L HN 0.639 nan 8.230 nan 0.000 0.434 617 Y N -0.186 120.146 120.300 0.054 0.000 2.298 617 Y HA -0.213 4.337 4.550 0.000 0.000 0.287 617 Y C 2.044 177.978 175.900 0.057 0.000 1.164 617 Y CA 1.735 59.877 58.100 0.071 0.000 1.229 617 Y CB -0.178 38.355 38.460 0.121 0.000 0.977 617 Y HN 0.275 nan 8.280 nan 0.000 0.538 618 A N -0.668 122.200 122.820 0.081 0.000 2.348 618 A HA 0.214 4.534 4.320 0.000 0.000 0.224 618 A C 0.903 178.463 177.584 -0.039 0.000 1.227 618 A CA 0.139 52.180 52.037 0.006 0.000 0.885 618 A CB -0.110 18.949 19.000 0.099 0.000 0.933 618 A HN 0.353 nan 8.150 nan 0.000 0.506 619 K N -0.703 119.675 120.400 -0.036 0.000 3.125 619 K HA -0.115 4.205 4.320 0.000 0.000 0.268 619 K C -0.824 175.753 176.600 -0.040 0.000 1.078 619 K CA 0.618 56.879 56.287 -0.044 0.000 0.775 619 K CB -1.901 30.560 32.500 -0.066 0.000 1.253 619 K HN 0.257 nan 8.250 nan 0.000 0.486 620 V N 1.666 121.566 119.914 -0.023 0.000 2.495 620 V HA 0.588 4.708 4.120 0.000 0.000 0.298 620 V C 0.164 176.247 176.094 -0.018 0.000 1.031 620 V CA -0.657 61.626 62.300 -0.029 0.000 0.871 620 V CB 1.860 33.669 31.823 -0.023 0.000 0.988 620 V HN 0.177 nan 8.190 nan 0.000 0.432 621 I N 4.533 125.087 120.570 -0.027 0.000 2.582 621 I HA 0.551 4.721 4.170 0.000 0.000 0.292 621 I C -1.015 175.102 176.117 0.001 0.000 1.066 621 I CA -0.904 60.389 61.300 -0.011 0.000 1.053 621 I CB 2.408 40.386 38.000 -0.038 0.000 1.241 621 I HN 0.225 nan 8.210 nan 0.000 0.421 622 V N 4.258 124.203 119.914 0.053 0.000 2.444 622 V HA 0.359 4.479 4.120 0.000 0.000 0.294 622 V C -0.737 175.426 176.094 0.116 0.000 1.022 622 V CA -0.499 61.844 62.300 0.071 0.000 0.850 622 V CB 1.899 33.766 31.823 0.072 0.000 0.992 622 V HN 0.646 nan 8.190 nan 0.000 0.426 623 D N 3.472 123.914 120.400 0.070 0.000 2.381 623 D HA 0.435 5.075 4.640 0.000 0.000 0.235 623 D C 0.268 176.623 176.300 0.092 0.000 1.068 623 D CA -0.073 53.967 54.000 0.066 0.000 0.832 623 D CB 2.452 43.261 40.800 0.016 0.000 1.101 623 D HN 0.271 nan 8.370 nan 0.000 0.515 624 V N 1.755 121.750 119.914 0.136 0.000 2.690 624 V HA -0.074 4.046 4.120 0.000 0.000 0.240 624 V C 0.869 177.021 176.094 0.096 0.000 1.078 624 V CA 0.180 62.576 62.300 0.160 0.000 1.102 624 V CB -0.294 31.696 31.823 0.279 0.000 0.800 624 V HN 0.671 nan 8.190 nan 0.000 0.479 625 S N 4.366 120.110 115.700 0.073 0.000 3.959 625 S HA -0.145 4.326 4.470 0.000 0.000 0.473 625 S C 0.884 175.495 174.600 0.019 0.000 1.041 625 S CA 0.914 59.134 58.200 0.034 0.000 1.364 625 S CB -0.859 62.351 63.200 0.016 0.000 0.851 625 S HN 0.952 nan 8.310 nan 0.000 0.543 626 N N -0.309 118.397 118.700 0.010 0.000 2.794 626 N HA -0.217 4.523 4.740 0.000 0.000 0.147 626 N C -0.334 175.172 175.510 -0.006 0.000 1.494 626 N CA 0.497 53.547 53.050 -0.001 0.000 2.365 626 N CB -1.797 36.690 38.487 0.001 0.000 1.249 626 N HN 1.085 nan 8.380 nan 0.000 0.898 627 S N -0.552 115.148 115.700 0.001 0.000 3.829 627 S HA -0.078 4.392 4.470 0.000 0.000 0.461 627 S C 0.295 174.900 174.600 0.007 0.000 0.849 627 S CA 1.182 59.372 58.200 -0.018 0.000 1.323 627 S CB -1.899 61.262 63.200 -0.065 0.000 0.872 627 S HN 1.020 nan 8.310 nan 0.000 0.613 628 S N -0.656 115.071 115.700 0.044 0.000 2.597 628 S HA 0.398 4.868 4.470 0.000 0.000 0.275 628 S C 0.127 174.769 174.600 0.069 0.000 1.040 628 S CA 0.744 58.970 58.200 0.044 0.000 1.187 628 S CB 0.466 63.678 63.200 0.021 0.000 0.988 628 S HN 1.500 nan 8.310 nan 0.000 0.490 629 V N 2.119 122.086 119.914 0.087 0.000 3.497 629 V HA -0.113 4.007 4.120 0.000 0.000 0.484 629 V C -0.529 175.586 176.094 0.035 0.000 0.682 629 V CA 1.164 63.516 62.300 0.086 0.000 2.014 629 V CB -0.971 30.917 31.823 0.108 0.000 2.451 629 V HN 0.614 nan 8.190 nan 0.000 0.502 630 K N 4.879 125.292 120.400 0.022 0.000 2.358 630 K HA 0.733 5.053 4.320 0.000 0.000 0.260 630 K C -0.876 175.707 176.600 -0.028 0.000 0.956 630 K CA -0.729 55.550 56.287 -0.013 0.000 0.834 630 K CB 1.924 34.414 32.500 -0.017 0.000 1.102 630 K HN 0.482 nan 8.250 nan 0.000 0.431 631 V N 3.699 123.574 119.914 -0.066 0.000 2.384 631 V HA 0.281 4.401 4.120 0.000 0.000 0.287 631 V C -0.377 175.628 176.094 -0.148 0.000 1.020 631 V CA -0.626 61.619 62.300 -0.091 0.000 0.850 631 V CB 1.656 33.424 31.823 -0.091 0.000 0.987 631 V HN 0.804 nan 8.190 nan 0.000 0.436 632 T N 4.753 119.239 114.554 -0.114 0.000 2.758 632 T HA 0.526 4.876 4.350 0.000 0.000 0.285 632 T C -0.314 174.311 174.700 -0.125 0.000 0.981 632 T CA -0.301 61.724 62.100 -0.125 0.000 0.965 632 T CB 1.386 70.200 68.868 -0.089 0.000 0.927 632 T HN 0.350 nan 8.240 nan 0.000 0.448 633 V N 3.826 123.644 119.914 -0.160 0.000 2.305 633 V HA 0.665 4.785 4.120 0.000 0.000 0.275 633 V C 0.997 177.025 176.094 -0.110 0.000 1.020 633 V CA 0.050 62.270 62.300 -0.133 0.000 0.811 633 V CB 0.089 31.805 31.823 -0.178 0.000 1.031 633 V HN 1.238 nan 8.190 nan 0.000 0.439 634 G N 4.807 113.556 108.800 -0.085 0.000 2.536 634 G HA2 -0.304 3.656 3.960 0.000 0.000 0.277 634 G HA3 -0.304 3.656 3.960 0.000 0.000 0.277 634 G C 0.762 175.616 174.900 -0.076 0.000 1.155 634 G CA 0.643 45.698 45.100 -0.075 0.000 0.960 634 G HN 0.707 nan 8.290 nan 0.000 0.544 635 D N 1.346 121.702 120.400 -0.074 0.000 2.201 635 D HA 0.048 4.688 4.640 0.000 0.000 0.209 635 D C 1.485 177.734 176.300 -0.085 0.000 0.961 635 D CA 0.955 54.913 54.000 -0.070 0.000 0.861 635 D CB -0.164 40.600 40.800 -0.059 0.000 0.997 635 D HN 0.503 nan 8.370 nan 0.000 0.486 636 R N 0.290 120.730 120.500 -0.099 0.000 2.861 636 R HA 0.204 4.544 4.340 0.000 0.000 0.268 636 R C 0.443 176.648 176.300 -0.158 0.000 1.027 636 R CA 0.035 56.060 56.100 -0.125 0.000 1.163 636 R CB -0.331 29.884 30.300 -0.142 0.000 1.060 636 R HN 0.383 nan 8.270 nan 0.000 0.483 637 E N -0.592 119.504 120.200 -0.174 0.000 2.185 637 E HA 0.364 4.714 4.350 0.000 0.000 0.261 637 E C -1.144 175.288 176.600 -0.279 0.000 0.879 637 E CA -0.446 55.839 56.400 -0.192 0.000 0.756 637 E CB 1.302 30.924 29.700 -0.131 0.000 1.152 637 E HN 0.574 nan 8.360 nan 0.000 0.416 638 c N 2.406 120.750 118.600 -0.428 0.000 2.614 638 c HA 0.462 5.032 4.570 0.000 0.000 0.320 638 c C -0.349 173.459 174.090 -0.471 0.000 1.200 638 c CA -0.815 55.107 56.329 -0.678 0.000 1.700 638 c CB 1.364 42.898 42.510 -1.628 0.000 2.275 638 c HN 0.704 nan 8.230 nan 0.000 0.492 639 D N 1.756 121.999 120.400 -0.261 0.000 2.440 639 D HA 0.469 5.109 4.640 0.000 0.000 0.239 639 D C -2.432 174.016 176.300 0.246 0.000 1.084 639 D CA -1.464 52.531 54.000 -0.008 0.000 0.843 639 D CB 1.235 42.033 40.800 -0.004 0.000 1.097 639 D HN 0.170 nan 8.370 nan 0.000 0.531 640 P HA 0.002 nan 4.420 nan 0.000 0.271 640 P C -0.038 177.336 177.300 0.124 0.000 1.228 640 P CA -0.005 63.257 63.100 0.271 0.000 0.797 640 P CB 0.651 32.416 31.700 0.108 0.000 0.914 644 T N 0.538 114.880 114.554 -0.354 0.000 2.893 644 T HA 0.894 5.244 4.350 0.000 0.000 0.291 644 T C -1.246 173.175 174.700 -0.465 0.000 1.028 644 T CA -0.531 61.451 62.100 -0.196 0.000 0.995 644 T CB 1.837 70.736 68.868 0.052 0.000 1.051 644 T HN 0.297 nan 8.240 nan 0.000 0.470 645 F N 1.264 121.222 119.950 0.013 0.000 2.508 645 F HA 0.733 5.260 4.527 0.000 0.000 0.325 645 F C 0.504 176.309 175.800 0.008 0.000 1.090 645 F CA -0.533 57.470 58.000 0.005 0.000 0.945 645 F CB 2.707 41.711 39.000 0.006 0.000 1.156 645 F HN 0.907 nan 8.300 nan 0.000 0.463 646 T N -0.099 114.544 114.554 0.149 0.000 3.105 646 T HA 0.308 4.658 4.350 0.000 0.000 0.321 646 T C -2.451 172.291 174.700 0.070 0.000 1.135 646 T CA -1.641 60.506 62.100 0.078 0.000 1.053 646 T CB 1.870 70.749 68.868 0.018 0.000 1.133 646 T HN 0.152 nan 8.240 nan 0.000 0.463 647 P HA -0.197 nan 4.420 nan 0.000 0.216 647 P C 1.949 179.279 177.300 0.050 0.000 1.150 647 P CA 1.461 64.579 63.100 0.030 0.000 0.843 647 P CB 0.053 31.760 31.700 0.013 0.000 0.787 648 S N -0.863 114.884 115.700 0.078 0.000 2.426 648 S HA -0.287 4.183 4.470 0.000 0.000 0.259 648 S C 1.848 176.494 174.600 0.076 0.000 1.096 648 S CA 3.008 61.253 58.200 0.075 0.000 1.219 648 S CB -1.471 61.792 63.200 0.105 0.000 1.124 648 S HN 0.413 nan 8.310 nan 0.000 0.436 649 G N 0.139 109.011 108.800 0.120 0.000 2.175 649 G HA2 -0.203 3.757 3.960 0.000 0.000 0.244 649 G HA3 -0.203 3.757 3.960 0.000 0.000 0.244 649 G C 0.131 175.103 174.900 0.120 0.000 0.982 649 G CA 0.500 45.658 45.100 0.097 0.000 0.641 649 G HN 0.694 nan 8.290 nan 0.000 0.527 650 K N 0.873 121.373 120.400 0.166 0.000 2.276 650 K HA 0.580 4.900 4.320 0.000 0.000 0.259 650 K C -0.163 176.602 176.600 0.274 0.000 1.001 650 K CA 0.553 56.934 56.287 0.156 0.000 0.927 650 K CB 0.534 33.044 32.500 0.016 0.000 0.969 650 K HN 0.166 nan 8.250 nan 0.000 0.490 651 T N 3.194 117.864 114.554 0.193 0.000 3.223 651 T HA 0.169 4.519 4.350 0.000 0.000 0.334 651 T C -0.220 174.556 174.700 0.127 0.000 0.940 651 T CA -0.686 61.513 62.100 0.165 0.000 1.272 651 T CB -0.071 68.852 68.868 0.092 0.000 0.982 651 T HN 0.550 nan 8.240 nan 0.000 0.512 652 I N 0.954 121.629 120.570 0.174 0.000 2.634 652 I HA 0.374 4.544 4.170 0.000 0.000 0.284 652 I C -0.170 175.982 176.117 0.058 0.000 1.124 652 I CA 0.033 61.400 61.300 0.113 0.000 1.417 652 I CB 0.471 38.560 38.000 0.148 0.000 1.396 652 I HN 0.294 nan 8.210 nan 0.000 0.571 653 K N 6.715 127.137 120.400 0.037 0.000 2.300 653 K HA 0.447 4.767 4.320 0.000 0.000 0.264 653 K C 0.472 177.080 176.600 0.014 0.000 1.083 653 K CA -0.384 55.913 56.287 0.017 0.000 0.958 653 K CB 0.803 33.309 32.500 0.010 0.000 1.318 653 K HN 0.928 nan 8.250 nan 0.000 0.448 654 G N 0.571 109.379 108.800 0.014 0.000 2.529 654 G HA2 -0.043 3.917 3.960 0.000 0.000 0.277 654 G HA3 -0.043 3.917 3.960 0.000 0.000 0.277 654 G C 0.845 175.755 174.900 0.016 0.000 1.383 654 G CA 0.077 45.191 45.100 0.023 0.000 1.050 654 G HN 0.560 nan 8.290 nan 0.000 0.526 655 T N -4.790 109.781 114.554 0.029 0.000 3.004 655 T HA 0.381 4.731 4.350 0.000 0.000 0.266 655 T C 1.565 176.288 174.700 0.037 0.000 0.986 655 T CA 1.102 63.214 62.100 0.019 0.000 0.902 655 T CB 0.203 69.078 68.868 0.012 0.000 1.118 655 T HN 2.115 nan 8.240 nan 0.000 0.522 656 G N 2.088 110.941 108.800 0.087 0.000 2.366 656 G HA2 -0.152 3.809 3.960 0.000 0.000 0.299 656 G HA3 -0.152 3.809 3.960 0.000 0.000 0.299 656 G C -0.001 175.004 174.900 0.175 0.000 1.020 656 G CA 0.487 45.674 45.100 0.145 0.000 1.026 656 G HN 1.063 nan 8.290 nan 0.000 0.512 657 T N -2.496 112.155 114.554 0.160 0.000 2.864 657 T HA 0.653 5.003 4.350 0.000 0.000 0.299 657 T C -0.139 174.557 174.700 -0.007 0.000 1.166 657 T CA -0.489 61.666 62.100 0.092 0.000 1.007 657 T CB 2.258 71.145 68.868 0.030 0.000 1.219 657 T HN 0.479 nan 8.240 nan 0.000 0.506 658 c N 1.344 119.916 118.600 -0.047 0.000 2.486 658 c HA 0.609 5.179 4.570 0.000 0.000 0.348 658 c C 2.253 176.284 174.090 -0.100 0.000 1.203 658 c CA -0.291 55.945 56.329 -0.155 0.000 1.911 658 c CB 1.454 43.861 42.510 -0.171 0.000 2.340 658 c HN 1.137 nan 8.230 nan 0.000 0.511 659 S N 0.050 115.679 115.700 -0.118 0.000 2.507 659 S HA -0.166 4.304 4.470 0.000 0.000 0.235 659 S C 1.164 175.725 174.600 -0.065 0.000 0.988 659 S CA 1.558 59.708 58.200 -0.083 0.000 0.944 659 S CB -0.319 62.828 63.200 -0.088 0.000 0.762 659 S HN 0.861 nan 8.310 nan 0.000 0.526 660 D N 1.449 121.807 120.400 -0.070 0.000 2.312 660 D HA 0.017 4.657 4.640 0.000 0.000 0.211 660 D C 1.632 177.913 176.300 -0.032 0.000 0.964 660 D CA 1.197 55.167 54.000 -0.050 0.000 0.877 660 D CB -0.314 40.456 40.800 -0.050 0.000 0.924 660 D HN 0.610 nan 8.370 nan 0.000 0.515 661 G N 0.479 109.261 108.800 -0.031 0.000 2.284 661 G HA2 -0.274 3.686 3.960 0.000 0.000 0.230 661 G HA3 -0.274 3.686 3.960 0.000 0.000 0.230 661 G C 0.428 175.326 174.900 -0.002 0.000 1.021 661 G CA 0.143 45.233 45.100 -0.017 0.000 0.619 661 G HN 0.442 nan 8.290 nan 0.000 0.510 662 N N 1.229 119.932 118.700 0.005 0.000 2.307 662 N HA 0.439 5.179 4.740 0.000 0.000 0.230 662 N C 0.610 176.161 175.510 0.067 0.000 1.297 662 N CA 0.232 53.302 53.050 0.034 0.000 0.884 662 N CB 0.386 38.898 38.487 0.041 0.000 1.115 662 N HN 0.721 nan 8.380 nan 0.000 0.436 663 A N 1.103 123.980 122.820 0.095 0.000 2.354 663 A HA 0.326 4.646 4.320 0.000 0.000 0.269 663 A C -0.862 176.881 177.584 0.265 0.000 1.109 663 A CA -0.095 52.019 52.037 0.129 0.000 0.800 663 A CB -0.142 18.905 19.000 0.078 0.000 1.045 663 A HN 0.630 nan 8.150 nan 0.000 0.489 664 F N 5.118 125.118 119.950 0.082 0.000 2.550 664 F HA 0.409 4.936 4.527 0.000 0.000 0.348 664 F C -2.249 173.717 175.800 0.277 0.000 1.219 664 F CA -2.638 55.469 58.000 0.178 0.000 1.203 664 F CB 1.947 40.972 39.000 0.042 0.000 1.436 664 F HN 0.366 nan 8.300 nan 0.000 0.541 665 P HA 0.062 nan 4.420 nan 0.000 0.231 665 P C -1.379 175.681 177.300 -0.399 0.000 1.756 665 P CA 0.540 63.519 63.100 -0.202 0.000 0.990 665 P CB -0.536 30.927 31.700 -0.395 0.000 1.973 666 Y N -0.570 119.399 120.300 -0.551 0.000 2.562 666 Y HA 0.491 5.041 4.550 0.000 0.000 0.343 666 Y C 0.537 176.220 175.900 -0.361 0.000 1.025 666 Y CA -1.288 56.491 58.100 -0.535 0.000 1.082 666 Y CB 1.835 39.705 38.460 -0.984 0.000 1.264 666 Y HN -0.172 nan 8.280 nan 0.000 0.478 667 V N 2.830 122.637 119.914 -0.180 0.000 2.680 667 V HA 0.490 4.610 4.120 0.000 0.000 0.309 667 V C -1.254 174.634 176.094 -0.342 0.000 1.052 667 V CA -0.867 61.275 62.300 -0.264 0.000 0.908 667 V CB 2.195 33.826 31.823 -0.320 0.000 1.001 667 V HN 0.537 nan 8.190 nan 0.000 0.431 668 L N 4.146 125.133 121.223 -0.394 0.000 2.349 668 L HA 0.628 4.968 4.340 0.000 0.000 0.278 668 L C -0.758 175.782 176.870 -0.550 0.000 0.996 668 L CA 0.033 54.637 54.840 -0.393 0.000 0.825 668 L CB 1.242 43.152 42.059 -0.247 0.000 1.243 668 L HN 0.632 nan 8.230 nan 0.000 0.412 669 H N 6.448 125.358 119.070 -0.267 0.000 2.476 669 H HA 0.518 5.074 4.556 0.000 0.000 0.328 669 H C -0.965 174.125 175.328 -0.395 0.000 1.073 669 H CA -0.430 55.443 56.048 -0.292 0.000 1.229 669 H CB 1.676 31.322 29.762 -0.193 0.000 1.432 669 H HN 0.537 nan 8.280 nan 0.000 0.477 670 L N 2.661 123.650 121.223 -0.391 0.000 2.346 670 L HA 0.453 4.793 4.340 0.000 0.000 0.276 670 L C 0.385 177.124 176.870 -0.219 0.000 1.006 670 L CA -0.701 53.838 54.840 -0.501 0.000 0.817 670 L CB 2.152 43.754 42.059 -0.762 0.000 1.272 670 L HN 0.635 nan 8.230 nan 0.000 0.421 671 T N -1.074 113.420 114.554 -0.102 0.000 2.909 671 T HA 0.443 4.793 4.350 0.000 0.000 0.299 671 T C -2.356 172.444 174.700 0.168 0.000 1.073 671 T CA -1.892 60.235 62.100 0.045 0.000 0.999 671 T CB 2.311 71.190 68.868 0.018 0.000 1.098 671 T HN 0.202 nan 8.240 nan 0.000 0.477 672 P HA -0.281 nan 4.420 nan 0.000 0.225 672 P C 1.645 179.023 177.300 0.130 0.000 1.154 672 P CA 2.893 66.079 63.100 0.144 0.000 0.933 672 P CB -0.137 31.608 31.700 0.075 0.000 0.790 673 T N -5.009 109.604 114.554 0.098 0.000 3.057 673 T HA 0.259 4.609 4.350 0.000 0.000 0.254 673 T C 0.793 175.551 174.700 0.097 0.000 1.094 673 T CA 0.067 62.206 62.100 0.065 0.000 1.088 673 T CB -0.134 68.752 68.868 0.030 0.000 0.934 673 T HN 0.096 nan 8.240 nan 0.000 0.497 674 I N -0.834 119.826 120.570 0.150 0.000 3.021 674 I HA 0.603 4.773 4.170 0.000 0.000 0.305 674 I C -1.488 174.617 176.117 -0.020 0.000 1.434 674 I CA -1.087 60.270 61.300 0.096 0.000 0.969 674 I CB 1.835 39.803 38.000 -0.053 0.000 1.328 674 I HN 0.219 nan 8.210 nan 0.000 0.486 675 G N 2.727 111.421 108.800 -0.176 0.000 2.574 675 G HA2 0.662 4.622 3.960 0.000 0.000 0.299 675 G HA3 0.662 4.622 3.960 0.000 0.000 0.299 675 G C -2.067 172.598 174.900 -0.391 0.000 1.298 675 G CA -0.600 44.257 45.100 -0.404 0.000 0.952 675 G HN 0.661 nan 8.290 nan 0.000 0.477 676 V N 1.455 121.163 119.914 -0.345 0.000 2.686 676 V HA 0.717 4.837 4.120 0.000 0.000 0.306 676 V C -1.560 174.409 176.094 -0.208 0.000 1.065 676 V CA -0.928 61.169 62.300 -0.339 0.000 0.894 676 V CB 1.631 33.219 31.823 -0.391 0.000 1.004 676 V HN 0.830 nan 8.190 nan 0.000 0.424 677 L N 7.067 128.188 121.223 -0.170 0.000 2.272 677 L HA 0.960 5.300 4.340 0.000 0.000 0.289 677 L C -0.005 176.872 176.870 0.011 0.000 1.032 677 L CA 0.158 54.953 54.840 -0.076 0.000 0.810 677 L CB 0.966 43.008 42.059 -0.028 0.000 1.205 677 L HN 0.981 nan 8.230 nan 0.000 0.422 678 A N 4.548 127.371 122.820 0.006 0.000 2.359 678 A HA 0.435 4.755 4.320 0.000 0.000 0.303 678 A C -1.251 176.280 177.584 -0.088 0.000 1.066 678 A CA -0.598 51.448 52.037 0.016 0.000 0.730 678 A CB 0.429 19.434 19.000 0.008 0.000 1.211 678 A HN 0.655 nan 8.150 nan 0.000 0.439 679 Y N 2.448 122.549 120.300 -0.330 0.000 2.788 679 Y HA 0.004 4.554 4.550 0.000 0.000 0.341 679 Y C 1.483 177.190 175.900 -0.321 0.000 1.258 679 Y CA 1.086 58.793 58.100 -0.655 0.000 1.503 679 Y CB 0.302 38.492 38.460 -0.451 0.000 1.325 679 Y HN 0.819 nan 8.280 nan 0.000 0.614 680 Y N 1.811 121.541 120.300 -0.950 0.000 2.207 680 Y HA -0.158 4.392 4.550 0.000 0.000 0.287 680 Y C 1.764 177.435 175.900 -0.382 0.000 1.156 680 Y CA 1.665 59.415 58.100 -0.584 0.000 1.182 680 Y CB -0.334 37.785 38.460 -0.567 0.000 0.979 680 Y HN 0.515 nan 8.280 nan 0.000 0.521 681 K N 0.734 120.466 120.400 -1.112 0.000 2.360 681 K HA -0.030 4.290 4.320 0.000 0.000 0.201 681 K C 0.934 177.402 176.600 -0.220 0.000 1.046 681 K CA 1.345 57.236 56.287 -0.660 0.000 0.945 681 K CB 0.038 32.233 32.500 -0.509 0.000 0.750 681 K HN 0.524 nan 8.250 nan 0.000 0.464 682 V N -4.734 115.118 119.914 -0.103 0.000 3.017 682 V HA 0.410 4.530 4.120 0.000 0.000 0.354 682 V C 1.034 177.135 176.094 0.012 0.000 1.389 682 V CA 0.053 62.368 62.300 0.026 0.000 1.163 682 V CB 0.416 32.370 31.823 0.217 0.000 1.178 682 V HN 0.018 nan 8.190 nan 0.000 0.547 683 A N 1.751 124.554 122.820 -0.027 0.000 1.933 683 A HA -0.060 4.260 4.320 0.000 0.000 0.218 683 A C 2.046 179.684 177.584 0.090 0.000 1.175 683 A CA 2.415 54.485 52.037 0.056 0.000 0.628 683 A CB -0.635 18.376 19.000 0.020 0.000 0.814 683 A HN 0.932 nan 8.150 nan 0.000 0.444 684 T N -2.238 112.308 114.554 -0.014 0.000 3.145 684 T HA 0.580 4.930 4.350 0.000 0.000 0.255 684 T C 0.657 175.295 174.700 -0.103 0.000 1.039 684 T CA 0.220 62.273 62.100 -0.078 0.000 0.928 684 T CB -0.425 68.368 68.868 -0.125 0.000 1.029 684 T HN 0.678 nan 8.240 nan 0.000 0.554 685 A N 2.292 125.086 122.820 -0.044 0.000 2.598 685 A HA 0.071 4.391 4.320 0.000 0.000 0.239 685 A C 1.515 179.056 177.584 -0.072 0.000 1.032 685 A CA -0.183 51.853 52.037 -0.002 0.000 0.760 685 A CB -0.041 19.057 19.000 0.163 0.000 0.946 685 A HN 0.390 nan 8.150 nan 0.000 0.512 686 N N 1.368 119.957 118.700 -0.185 0.000 2.205 686 N HA -0.187 4.553 4.740 0.000 0.000 0.186 686 N C 1.310 176.614 175.510 -0.343 0.000 1.015 686 N CA 1.743 54.572 53.050 -0.369 0.000 0.862 686 N CB -0.487 37.526 38.487 -0.789 0.000 0.986 686 N HN 0.839 nan 8.380 nan 0.000 0.429 687 F N 1.652 121.427 119.950 -0.290 0.000 2.161 687 F HA -0.069 4.458 4.527 0.000 0.000 0.300 687 F C 2.048 177.709 175.800 -0.232 0.000 1.089 687 F CA 0.978 58.866 58.000 -0.187 0.000 1.282 687 F CB -0.209 38.879 39.000 0.147 0.000 1.010 687 F HN -0.078 nan 8.300 nan 0.000 0.485 688 I N 0.521 121.032 120.570 -0.098 0.000 2.252 688 I HA -0.300 3.870 4.170 0.000 0.000 0.245 688 I C 2.293 178.297 176.117 -0.188 0.000 1.102 688 I CA 1.413 62.649 61.300 -0.106 0.000 1.385 688 I CB -0.479 37.517 38.000 -0.006 0.000 1.064 688 I HN 0.095 nan 8.210 nan 0.000 0.414 689 K N 0.135 120.429 120.400 -0.177 0.000 2.057 689 K HA -0.158 4.162 4.320 0.000 0.000 0.207 689 K C 1.942 178.510 176.600 -0.053 0.000 1.049 689 K CA 1.158 57.408 56.287 -0.062 0.000 0.931 689 K CB -0.090 32.339 32.500 -0.118 0.000 0.714 689 K HN 0.164 nan 8.250 nan 0.000 0.440 690 L N 0.306 121.322 121.223 -0.345 0.000 2.127 690 L HA 0.042 4.382 4.340 0.000 0.000 0.203 690 L C 2.374 179.088 176.870 -0.260 0.000 1.080 690 L CA 1.466 56.095 54.840 -0.352 0.000 0.768 690 L CB -1.363 40.265 42.059 -0.719 0.000 0.924 690 L HN 0.094 nan 8.230 nan 0.000 0.444 691 A N -1.072 121.336 122.820 -0.687 0.000 1.855 691 A HA -0.083 4.237 4.320 0.000 0.000 0.213 691 A C 1.868 179.031 177.584 -0.701 0.000 1.195 691 A CA 1.099 52.592 52.037 -0.908 0.000 0.610 691 A CB -0.707 17.152 19.000 -1.902 0.000 0.837 691 A HN 0.341 nan 8.150 nan 0.000 0.444 692 F N -0.182 119.628 119.950 -0.233 0.000 2.660 692 F HA 0.369 4.896 4.527 0.000 0.000 0.302 692 F C 1.607 177.349 175.800 -0.097 0.000 1.103 692 F CA 0.341 58.257 58.000 -0.140 0.000 1.340 692 F CB 0.183 39.097 39.000 -0.143 0.000 1.048 692 F HN 0.343 nan 8.300 nan 0.000 0.551 693 G N 1.556 110.381 108.800 0.042 0.000 2.323 693 G HA2 -0.256 3.704 3.960 0.000 0.000 0.292 693 G HA3 -0.256 3.704 3.960 0.000 0.000 0.292 693 G C -0.411 174.485 174.900 -0.006 0.000 1.040 693 G CA 0.084 45.196 45.100 0.021 0.000 0.942 693 G HN 0.203 nan 8.290 nan 0.000 0.506 694 V N 0.237 120.147 119.914 -0.006 0.000 2.326 694 V HA 0.313 4.433 4.120 0.000 0.000 0.281 694 V C -1.215 174.840 176.094 -0.065 0.000 1.015 694 V CA -1.386 60.864 62.300 -0.083 0.000 0.823 694 V CB 2.052 33.759 31.823 -0.193 0.000 1.009 694 V HN 0.086 nan 8.190 nan 0.000 0.436 695 P HA -0.040 nan 4.420 nan 0.000 0.301 695 P C 0.713 178.019 177.300 0.010 0.000 1.445 695 P CA 0.367 63.503 63.100 0.060 0.000 0.741 695 P CB -0.227 31.480 31.700 0.011 0.000 1.426 696 A N 0.255 123.009 122.820 -0.109 0.000 2.666 696 A HA 0.126 4.446 4.320 0.000 0.000 0.289 696 A C 0.680 178.212 177.584 -0.087 0.000 1.478 696 A CA 0.794 52.727 52.037 -0.174 0.000 1.079 696 A CB -0.962 17.820 19.000 -0.363 0.000 1.015 696 A HN 0.202 nan 8.150 nan 0.000 0.582 697 S N 1.275 116.947 115.700 -0.047 0.000 2.672 697 S HA 0.392 4.862 4.470 0.000 0.000 0.291 697 S C 0.806 175.354 174.600 -0.086 0.000 1.145 697 S CA 0.225 58.371 58.200 -0.090 0.000 1.013 697 S CB 1.464 64.647 63.200 -0.028 0.000 1.017 697 S HN 0.918 nan 8.310 nan 0.000 0.487 698 T N 4.344 118.819 114.554 -0.132 0.000 3.227 698 T HA 0.230 4.580 4.350 0.000 0.000 0.257 698 T C 0.210 174.856 174.700 -0.091 0.000 1.162 698 T CA 0.439 62.483 62.100 -0.094 0.000 1.051 698 T CB -0.477 68.333 68.868 -0.096 0.000 0.953 698 T HN 0.467 nan 8.240 nan 0.000 0.535 699 I N 3.675 124.182 120.570 -0.104 0.000 2.439 699 I HA 0.403 4.573 4.170 0.000 0.000 0.285 699 I C -2.401 173.730 176.117 0.024 0.000 1.021 699 I CA -3.274 57.996 61.300 -0.051 0.000 1.091 699 I CB 1.925 39.876 38.000 -0.082 0.000 1.242 699 I HN 0.056 nan 8.210 nan 0.000 0.439 700 P HA 0.121 nan 4.420 nan 0.000 0.264 700 P C 0.824 178.156 177.300 0.052 0.000 1.193 700 P CA 0.893 64.017 63.100 0.040 0.000 0.763 700 P CB 1.044 32.763 31.700 0.030 0.000 0.810 701 G N 3.490 112.311 108.800 0.035 0.000 2.454 701 G HA2 -0.409 3.551 3.960 0.000 0.000 0.225 701 G HA3 -0.409 3.551 3.960 0.000 0.000 0.225 701 G C 0.780 175.646 174.900 -0.055 0.000 1.138 701 G CA 0.321 45.395 45.100 -0.044 0.000 0.667 701 G HN 0.482 nan 8.290 nan 0.000 0.512 702 F N 2.278 122.169 119.950 -0.098 0.000 2.045 702 F HA -0.130 4.397 4.527 0.000 0.000 0.297 702 F C 2.821 178.592 175.800 -0.048 0.000 1.114 702 F CA 3.155 61.115 58.000 -0.066 0.000 1.207 702 F CB -0.517 38.463 39.000 -0.032 0.000 0.964 702 F HN 0.275 nan 8.300 nan 0.000 0.486 703 S N -0.149 115.758 115.700 0.345 0.000 2.387 703 S HA -0.240 4.230 4.470 0.000 0.000 0.230 703 S C 1.731 176.466 174.600 0.226 0.000 1.035 703 S CA 1.706 60.078 58.200 0.287 0.000 1.014 703 S CB -0.582 62.789 63.200 0.284 0.000 0.836 703 S HN 0.499 nan 8.310 nan 0.000 0.466 704 D N 0.786 121.230 120.400 0.072 0.000 2.097 704 D HA -0.060 4.580 4.640 0.000 0.000 0.197 704 D C 2.066 178.334 176.300 -0.055 0.000 0.984 704 D CA 0.996 55.023 54.000 0.045 0.000 0.826 704 D CB -0.208 40.561 40.800 -0.051 0.000 0.973 704 D HN 0.449 nan 8.370 nan 0.000 0.460 705 K N 0.714 120.884 120.400 -0.383 0.000 2.009 705 K HA -0.130 4.190 4.320 0.000 0.000 0.210 705 K C 2.363 178.895 176.600 -0.113 0.000 1.049 705 K CA 0.580 56.668 56.287 -0.332 0.000 0.929 705 K CB -0.429 31.814 32.500 -0.429 0.000 0.714 705 K HN 0.082 nan 8.250 nan 0.000 0.440 706 L N 0.420 121.499 121.223 -0.241 0.000 2.081 706 L HA -0.181 4.159 4.340 0.000 0.000 0.212 706 L C 1.791 178.547 176.870 -0.190 0.000 1.080 706 L CA 1.426 56.100 54.840 -0.277 0.000 0.754 706 L CB -0.134 41.621 42.059 -0.506 0.000 0.893 706 L HN 0.095 nan 8.230 nan 0.000 0.433 707 F N -0.961 119.004 119.950 0.026 0.000 2.802 707 F HA -0.065 4.462 4.527 0.000 0.000 0.300 707 F C 2.427 178.301 175.800 0.123 0.000 1.168 707 F CA 0.750 58.809 58.000 0.098 0.000 1.433 707 F CB -0.206 38.842 39.000 0.080 0.000 1.115 707 F HN 0.253 nan 8.300 nan 0.000 0.582 708 S N -1.463 114.362 115.700 0.208 0.000 2.503 708 S HA 0.031 4.501 4.470 0.000 0.000 0.215 708 S C 1.515 176.150 174.600 0.059 0.000 1.003 708 S CA 0.081 58.381 58.200 0.166 0.000 0.910 708 S CB -0.120 63.205 63.200 0.209 0.000 0.790 708 S HN 0.242 nan 8.310 nan 0.000 0.514 709 N N 0.310 119.017 118.700 0.012 0.000 2.388 709 N HA 0.263 5.003 4.740 0.000 0.000 0.176 709 N C -1.119 174.182 175.510 -0.349 0.000 1.062 709 N CA 0.433 53.354 53.050 -0.216 0.000 0.895 709 N CB 0.237 38.583 38.487 -0.235 0.000 1.018 709 N HN 0.386 nan 8.380 nan 0.000 0.456 710 F N 1.211 121.107 119.950 -0.090 0.000 2.500 710 F HA 0.319 4.847 4.527 0.000 0.000 0.349 710 F C 0.165 176.129 175.800 0.273 0.000 1.127 710 F CA -0.984 57.036 58.000 0.034 0.000 0.998 710 F CB 1.612 40.462 39.000 -0.250 0.000 1.237 710 F HN -0.234 nan 8.300 nan 0.000 0.439 711 E N 6.167 126.603 120.200 0.393 0.000 2.133 711 E HA 0.346 4.696 4.350 0.000 0.000 0.274 711 E C -2.677 174.061 176.600 0.231 0.000 0.930 711 E CA -2.553 54.044 56.400 0.329 0.000 0.770 711 E CB 1.793 31.606 29.700 0.187 0.000 1.104 711 E HN 0.147 nan 8.360 nan 0.000 0.403 712 P HA -0.026 nan 4.420 nan 0.000 0.271 712 P C 0.459 177.681 177.300 -0.130 0.000 1.220 712 P CA 0.082 62.930 63.100 -0.419 0.000 0.768 712 P CB 1.211 32.623 31.700 -0.480 0.000 0.848 713 V N 0.656 120.502 119.914 -0.114 0.000 3.502 713 V HA 0.439 4.559 4.120 0.000 0.000 0.288 713 V C -0.120 175.847 176.094 -0.212 0.000 1.461 713 V CA -0.033 62.257 62.300 -0.017 0.000 1.029 713 V CB -0.810 31.149 31.823 0.226 0.000 0.843 713 V HN 0.529 nan 8.190 nan 0.000 0.438 714 Y N 1.142 121.121 120.300 -0.535 0.000 2.661 714 Y HA 0.578 5.128 4.550 0.000 0.000 0.339 714 Y C -2.195 173.420 175.900 -0.476 0.000 1.186 714 Y CA -0.616 57.070 58.100 -0.691 0.000 1.137 714 Y CB 1.387 38.921 38.460 -1.543 0.000 1.354 714 Y HN 0.361 nan 8.280 nan 0.000 0.469 715 E N 2.990 122.498 120.200 -1.152 0.000 2.352 715 E HA 0.461 4.811 4.350 0.000 0.000 0.280 715 E C -1.490 174.564 176.600 -0.909 0.000 0.930 715 E CA -0.524 55.409 56.400 -0.779 0.000 0.765 715 E CB 1.783 31.219 29.700 -0.440 0.000 1.219 715 E HN 0.541 nan 8.360 nan 0.000 0.434 716 S N 1.358 116.752 115.700 -0.511 0.000 3.152 716 S HA 0.497 4.967 4.470 0.000 0.000 0.173 716 S C 1.077 175.569 174.600 -0.181 0.000 0.751 716 S CA 0.830 58.842 58.200 -0.314 0.000 0.933 716 S CB -0.267 62.863 63.200 -0.116 0.000 0.877 716 S HN 0.592 nan 8.310 nan 0.000 0.766 717 G N 0.963 109.693 108.800 -0.117 0.000 2.549 717 G HA2 0.161 4.121 3.960 0.000 0.000 0.219 717 G HA3 0.161 4.121 3.960 0.000 0.000 0.219 717 G C 0.323 175.189 174.900 -0.058 0.000 1.677 717 G CA 0.090 45.156 45.100 -0.058 0.000 0.929 717 G HN 0.642 nan 8.290 nan 0.000 0.549 718 N N -0.436 118.251 118.700 -0.021 0.000 2.279 718 N HA 0.342 5.082 4.740 0.000 0.000 0.226 718 N C -1.062 174.444 175.510 -0.006 0.000 1.126 718 N CA -0.299 52.761 53.050 0.017 0.000 0.846 718 N CB 1.534 40.070 38.487 0.081 0.000 1.050 718 N HN 0.042 nan 8.380 nan 0.000 0.502 719 V N 1.847 121.658 119.914 -0.171 0.000 2.487 719 V HA 0.453 4.573 4.120 0.000 0.000 0.298 719 V C -0.299 175.683 176.094 -0.187 0.000 1.028 719 V CA -0.641 61.483 62.300 -0.293 0.000 0.860 719 V CB 1.851 33.288 31.823 -0.643 0.000 0.991 719 V HN 0.121 nan 8.190 nan 0.000 0.427 720 I N 4.847 125.375 120.570 -0.070 0.000 2.436 720 I HA 0.471 4.641 4.170 0.000 0.000 0.289 720 I C -0.471 175.681 176.117 0.057 0.000 1.010 720 I CA -0.935 60.310 61.300 -0.093 0.000 1.098 720 I CB 2.186 40.141 38.000 -0.074 0.000 1.266 720 I HN 0.420 nan 8.210 nan 0.000 0.434 721 V N 7.846 127.751 119.914 -0.014 0.000 2.350 721 V HA 0.422 4.542 4.120 0.000 0.000 0.276 721 V C -1.156 175.032 176.094 0.157 0.000 1.028 721 V CA -0.053 62.361 62.300 0.190 0.000 0.860 721 V CB 0.714 32.642 31.823 0.176 0.000 0.990 721 V HN 0.491 nan 8.190 nan 0.000 0.453 722 Y N 5.473 125.990 120.300 0.361 0.000 2.387 722 Y HA 0.572 5.122 4.550 0.000 0.000 0.330 722 Y C 0.587 176.685 175.900 0.330 0.000 1.133 722 Y CA -0.587 57.712 58.100 0.331 0.000 1.152 722 Y CB 1.342 40.017 38.460 0.357 0.000 1.215 722 Y HN 0.562 nan 8.280 nan 0.000 0.466 723 R N 4.125 124.813 120.500 0.314 0.000 2.215 723 R HA 0.247 4.587 4.340 0.000 0.000 0.336 723 R C -1.207 175.030 176.300 -0.105 0.000 0.996 723 R CA -0.398 55.651 56.100 -0.085 0.000 0.847 723 R CB 0.166 30.465 30.300 -0.002 0.000 1.127 723 R HN 0.653 nan 8.270 nan 0.000 0.465 724 F N 3.006 122.723 119.950 -0.388 0.000 2.378 724 F HA 0.388 4.915 4.527 0.000 0.000 0.319 724 F C -0.213 175.357 175.800 -0.383 0.000 1.155 724 F CA 0.258 57.920 58.000 -0.563 0.000 1.157 724 F CB 1.478 40.111 39.000 -0.612 0.000 1.252 724 F HN 0.478 nan 8.300 nan 0.000 0.550 725 T N 5.280 118.710 114.554 -1.873 0.000 4.391 725 T HA 0.235 4.585 4.350 0.000 0.000 0.384 725 T C -2.485 171.283 174.700 -1.553 0.000 1.000 725 T CA -0.901 60.437 62.100 -1.269 0.000 1.038 725 T CB 1.149 69.717 68.868 -0.500 0.000 1.175 725 T HN 0.428 nan 8.240 nan 0.000 0.466 726 P HA 0.152 nan 4.420 nan 0.000 0.236 726 P C -0.308 176.219 177.300 -1.289 0.000 1.172 726 P CA 0.322 62.740 63.100 -1.137 0.000 0.759 726 P CB -0.375 30.730 31.700 -0.992 0.000 0.843 727 F N -0.571 119.130 119.950 -0.414 0.000 2.585 727 F HA 0.647 5.174 4.527 0.000 0.000 0.319 727 F C 0.668 176.375 175.800 -0.155 0.000 1.165 727 F CA -0.753 57.108 58.000 -0.232 0.000 0.949 727 F CB 2.145 41.000 39.000 -0.241 0.000 1.218 727 F HN -0.196 nan 8.300 nan 0.000 0.453 728 G N 2.103 110.945 108.800 0.070 0.000 2.788 728 G HA2 0.814 4.774 3.960 0.000 0.000 0.293 728 G HA3 0.814 4.774 3.960 0.000 0.000 0.293 728 G C -1.831 173.108 174.900 0.065 0.000 1.392 728 G CA -0.850 44.281 45.100 0.052 0.000 0.810 728 G HN 0.489 nan 8.290 nan 0.000 0.508 729 I N 1.065 121.652 120.570 0.028 0.000 2.439 729 I HA 0.207 4.377 4.170 0.000 0.000 0.285 729 I C 0.115 176.245 176.117 0.023 0.000 1.021 729 I CA -0.789 60.479 61.300 -0.054 0.000 1.091 729 I CB 1.993 39.855 38.000 -0.230 0.000 1.242 729 I HN 0.789 nan 8.210 nan 0.000 0.439 730 Y N 4.263 124.581 120.300 0.030 0.000 2.500 730 Y HA 0.395 4.945 4.550 0.000 0.000 0.270 730 Y C 0.525 176.443 175.900 0.029 0.000 1.134 730 Y CA -0.180 57.949 58.100 0.049 0.000 1.293 730 Y CB 0.249 38.746 38.460 0.060 0.000 1.063 730 Y HN 0.353 nan 8.280 nan 0.000 0.534 731 K N 1.163 121.376 120.400 -0.312 0.000 2.561 731 K HA 0.401 4.721 4.320 0.000 0.000 0.254 731 K C -2.112 174.384 176.600 -0.174 0.000 0.942 731 K CA -0.539 55.602 56.287 -0.243 0.000 0.818 731 K CB 1.747 34.004 32.500 -0.405 0.000 1.306 731 K HN 0.205 nan 8.250 nan 0.000 0.435 732 I N 3.385 123.843 120.570 -0.187 0.000 2.355 732 I HA 0.266 4.436 4.170 0.000 0.000 0.288 732 I C -0.264 175.777 176.117 -0.126 0.000 0.999 732 I CA -0.602 60.594 61.300 -0.174 0.000 1.163 732 I CB 1.796 39.650 38.000 -0.244 0.000 1.316 732 I HN 0.485 nan 8.210 nan 0.000 0.454 733 E N 5.617 125.805 120.200 -0.021 0.000 2.179 733 E HA 0.357 4.707 4.350 0.000 0.000 0.275 733 E C -0.873 175.857 176.600 0.216 0.000 0.945 733 E CA -0.600 55.844 56.400 0.073 0.000 0.792 733 E CB 2.303 32.064 29.700 0.102 0.000 1.125 733 E HN 0.492 nan 8.360 nan 0.000 0.397 734 E N 2.701 123.072 120.200 0.286 0.000 2.238 734 E HA 0.161 4.511 4.350 0.000 0.000 0.267 734 E C -1.116 175.629 176.600 0.241 0.000 0.887 734 E CA -0.638 55.928 56.400 0.278 0.000 0.769 734 E CB 1.258 30.982 29.700 0.040 0.000 1.187 734 E HN 0.450 nan 8.360 nan 0.000 0.416 735 N N 4.799 123.491 118.700 -0.014 0.000 2.399 735 N HA 0.173 4.913 4.740 0.000 0.000 0.259 735 N C -0.801 174.559 175.510 -0.249 0.000 1.160 735 N CA -0.112 52.605 53.050 -0.555 0.000 0.946 735 N CB 0.374 38.342 38.487 -0.865 0.000 1.156 735 N HN 0.389 nan 8.380 nan 0.000 0.489 736 I N 3.442 123.890 120.570 -0.205 0.000 2.502 736 I HA 0.201 4.371 4.170 0.000 0.000 0.276 736 I C -0.332 175.711 176.117 -0.124 0.000 1.057 736 I CA -0.656 60.578 61.300 -0.110 0.000 1.163 736 I CB 0.750 38.722 38.000 -0.046 0.000 1.288 736 I HN 0.652 nan 8.210 nan 0.000 0.479 737 N N 4.778 123.402 118.700 -0.127 0.000 2.814 737 N HA -0.150 4.590 4.740 0.000 0.000 0.247 737 N C 0.934 176.356 175.510 -0.147 0.000 1.089 737 N CA 0.965 53.949 53.050 -0.109 0.000 0.682 737 N CB -0.939 37.507 38.487 -0.068 0.000 0.970 737 N HN 1.102 nan 8.380 nan 0.000 0.554 738 G N -1.425 107.241 108.800 -0.223 0.000 2.175 738 G HA2 -0.348 3.612 3.960 0.000 0.000 0.265 738 G HA3 -0.348 3.612 3.960 0.000 0.000 0.265 738 G C 0.169 174.885 174.900 -0.307 0.000 0.979 738 G CA 1.207 46.151 45.100 -0.259 0.000 0.663 738 G HN 0.538 nan 8.290 nan 0.000 0.533 739 T N 0.015 114.392 114.554 -0.294 0.000 2.792 739 T HA 0.468 4.818 4.350 0.000 0.000 0.280 739 T C -0.280 174.280 174.700 -0.233 0.000 0.990 739 T CA -0.416 61.563 62.100 -0.202 0.000 0.960 739 T CB 0.919 69.743 68.868 -0.073 0.000 0.939 739 T HN 0.304 nan 8.240 nan 0.000 0.439 740 W N 3.446 124.755 121.300 0.014 0.000 2.345 740 W HA 0.456 5.116 4.660 0.000 0.000 0.308 740 W C 0.694 177.211 176.519 -0.003 0.000 1.273 740 W CA -0.523 56.830 57.345 0.013 0.000 1.243 740 W CB 0.613 30.094 29.460 0.035 0.000 1.260 740 W HN 0.364 nan 8.180 nan 0.000 0.509 741 K N 2.509 123.056 120.400 0.244 0.000 2.395 741 K HA 0.306 4.626 4.320 0.000 0.000 0.247 741 K C -0.965 175.663 176.600 0.046 0.000 0.973 741 K CA -0.881 55.469 56.287 0.105 0.000 0.828 741 K CB 1.795 34.323 32.500 0.047 0.000 1.272 741 K HN 0.474 nan 8.250 nan 0.000 0.439 742 Q N 2.774 122.541 119.800 -0.054 0.000 2.296 742 Q HA 0.335 4.675 4.340 0.000 0.000 0.257 742 Q C -0.767 174.984 176.000 -0.415 0.000 0.942 742 Q CA -0.774 54.892 55.803 -0.229 0.000 0.939 742 Q CB 1.170 29.757 28.738 -0.251 0.000 1.198 742 Q HN 0.464 nan 8.270 nan 0.000 0.429 743 V N 1.902 121.537 119.914 -0.465 0.000 2.994 743 V HA 0.459 4.579 4.120 0.000 0.000 0.318 743 V C -0.762 174.920 176.094 -0.687 0.000 1.085 743 V CA -0.412 61.625 62.300 -0.438 0.000 0.998 743 V CB 1.267 32.969 31.823 -0.202 0.000 1.063 743 V HN 0.949 nan 8.190 nan 0.000 0.447 744 Y N 1.978 122.277 120.300 -0.001 0.000 2.588 744 Y HA 0.442 4.992 4.550 0.000 0.000 0.247 744 Y C 0.728 176.644 175.900 0.026 0.000 1.157 744 Y CA -0.218 57.887 58.100 0.007 0.000 1.215 744 Y CB 0.388 38.857 38.460 0.016 0.000 1.245 744 Y HN 0.948 nan 8.280 nan 0.000 0.534 745 N N -0.989 117.770 118.700 0.098 0.000 3.265 745 N HA 0.388 5.128 4.740 0.000 0.000 0.235 745 N C -2.017 173.505 175.510 0.020 0.000 1.343 745 N CA -0.761 52.350 53.050 0.101 0.000 0.904 745 N CB 1.298 39.871 38.487 0.144 0.000 1.492 745 N HN -0.066 nan 8.380 nan 0.000 0.504 746 L N 0.662 121.887 121.223 0.004 0.000 2.333 746 L HA 0.640 4.980 4.340 0.000 0.000 0.269 746 L C 0.419 177.313 176.870 0.040 0.000 1.010 746 L CA -0.652 54.117 54.840 -0.120 0.000 0.818 746 L CB 2.023 43.881 42.059 -0.335 0.000 1.306 746 L HN 0.788 nan 8.230 nan 0.000 0.430 747 T N -1.203 113.455 114.554 0.172 0.000 2.925 747 T HA 0.620 4.970 4.350 0.000 0.000 0.285 747 T C -2.682 172.176 174.700 0.263 0.000 1.021 747 T CA -2.336 59.907 62.100 0.237 0.000 1.042 747 T CB 1.683 70.673 68.868 0.204 0.000 1.037 747 T HN 0.165 nan 8.240 nan 0.000 0.481 748 P HA 0.480 nan 4.420 nan 0.000 0.268 748 P C 0.615 177.916 177.300 0.003 0.000 1.208 748 P CA 1.119 64.317 63.100 0.164 0.000 0.777 748 P CB 0.180 31.972 31.700 0.153 0.000 0.875 749 G N 0.580 109.342 108.800 -0.065 0.000 2.343 749 G HA2 -0.072 3.888 3.960 0.000 0.000 0.562 749 G HA3 -0.072 3.888 3.960 0.000 0.000 0.562 749 G C -1.281 173.422 174.900 -0.329 0.000 1.269 749 G CA -0.942 44.048 45.100 -0.182 0.000 1.011 749 G HN 0.466 nan 8.290 nan 0.000 0.498 750 K N 0.365 120.591 120.400 -0.291 0.000 2.237 750 K HA 0.556 4.876 4.320 0.000 0.000 0.270 750 K C -0.517 175.845 176.600 -0.398 0.000 1.015 750 K CA -0.292 55.857 56.287 -0.229 0.000 0.949 750 K CB 0.519 32.957 32.500 -0.104 0.000 0.976 750 K HN 0.560 nan 8.250 nan 0.000 0.472 751 H N 0.929 120.008 119.070 0.015 0.000 2.996 751 H HA 0.144 4.700 4.556 0.000 0.000 0.368 751 H C -1.252 174.107 175.328 0.051 0.000 1.185 751 H CA -0.681 55.381 56.048 0.025 0.000 1.160 751 H CB 1.979 31.753 29.762 0.019 0.000 1.820 751 H HN 0.615 nan 8.280 nan 0.000 0.547 752 E N 3.341 123.672 120.200 0.218 0.000 2.141 752 E HA 0.440 4.790 4.350 0.000 0.000 0.259 752 E C -0.988 175.794 176.600 0.302 0.000 0.883 752 E CA -0.366 56.153 56.400 0.198 0.000 0.744 752 E CB 0.616 30.383 29.700 0.113 0.000 1.150 752 E HN 0.372 nan 8.360 nan 0.000 0.420 753 L N 3.194 124.583 121.223 0.276 0.000 2.303 753 L HA 0.605 4.945 4.340 0.000 0.000 0.266 753 L C -0.380 176.535 176.870 0.076 0.000 1.011 753 L CA -1.139 53.843 54.840 0.237 0.000 0.818 753 L CB 1.953 44.085 42.059 0.122 0.000 1.326 753 L HN 0.366 nan 8.230 nan 0.000 0.435 754 K N 1.730 122.048 120.400 -0.138 0.000 2.507 754 K HA 0.608 4.928 4.320 0.000 0.000 0.252 754 K C -1.737 174.643 176.600 -0.366 0.000 0.943 754 K CA -0.474 55.550 56.287 -0.439 0.000 0.808 754 K CB 1.408 33.350 32.500 -0.930 0.000 1.142 754 K HN 0.496 nan 8.250 nan 0.000 0.426 755 L N 4.550 125.523 121.223 -0.418 0.000 2.317 755 L HA 0.443 4.784 4.340 0.000 0.000 0.281 755 L C -1.021 175.464 176.870 -0.643 0.000 1.024 755 L CA -1.101 53.498 54.840 -0.403 0.000 0.810 755 L CB 1.049 42.950 42.059 -0.262 0.000 1.240 755 L HN 0.614 nan 8.230 nan 0.000 0.427 756 Y N 3.534 123.561 120.300 -0.456 0.000 2.402 756 Y HA 0.483 5.033 4.550 0.000 0.000 0.332 756 Y C 0.122 175.683 175.900 -0.565 0.000 0.960 756 Y CA -0.366 57.358 58.100 -0.628 0.000 1.228 756 Y CB 1.070 38.852 38.460 -1.131 0.000 1.120 756 Y HN 0.361 nan 8.280 nan 0.000 0.491 757 I N 1.932 122.401 120.570 -0.169 0.000 2.437 757 I HA 0.322 4.492 4.170 0.000 0.000 0.298 757 I C 0.135 176.382 176.117 0.217 0.000 0.984 757 I CA -0.667 60.635 61.300 0.003 0.000 1.214 757 I CB 1.745 39.710 38.000 -0.058 0.000 1.365 757 I HN 0.402 nan 8.210 nan 0.000 0.469 758 S N 4.501 120.353 115.700 0.254 0.000 2.437 758 S HA 0.680 5.150 4.470 0.000 0.000 0.305 758 S C -0.322 174.349 174.600 0.118 0.000 1.109 758 S CA -0.577 57.748 58.200 0.207 0.000 1.099 758 S CB 0.985 64.293 63.200 0.179 0.000 1.004 758 S HN 0.663 nan 8.310 nan 0.000 0.475 759 A N 5.256 128.133 122.820 0.094 0.000 2.444 759 A HA 0.532 4.852 4.320 0.000 0.000 0.332 759 A C -0.727 176.868 177.584 0.018 0.000 1.430 759 A CA -0.503 51.554 52.037 0.033 0.000 0.975 759 A CB -0.381 18.699 19.000 0.133 0.000 1.147 759 A HN 0.810 nan 8.150 nan 0.000 0.524 760 F N 3.128 122.945 119.950 -0.221 0.000 2.405 760 F HA 0.484 5.011 4.527 0.000 0.000 0.358 760 F C 1.325 177.046 175.800 -0.131 0.000 1.151 760 F CA 1.101 59.054 58.000 -0.078 0.000 1.161 760 F CB 0.605 39.628 39.000 0.039 0.000 1.245 760 F HN 0.921 nan 8.300 nan 0.000 0.545 761 G N 4.707 113.258 108.800 -0.416 0.000 2.284 761 G HA2 -0.258 3.702 3.960 0.000 0.000 0.230 761 G HA3 -0.258 3.702 3.960 0.000 0.000 0.230 761 G C 0.080 174.392 174.900 -0.982 0.000 1.021 761 G CA 0.153 44.884 45.100 -0.616 0.000 0.619 761 G HN 0.815 nan 8.290 nan 0.000 0.510 762 R N 0.102 120.191 120.500 -0.684 0.000 2.707 762 R HA 0.637 4.977 4.340 0.000 0.000 0.272 762 R C -1.496 174.742 176.300 -0.103 0.000 1.011 762 R CA -0.953 54.852 56.100 -0.492 0.000 0.893 762 R CB 1.146 31.315 30.300 -0.218 0.000 1.233 762 R HN 0.050 nan 8.270 nan 0.000 0.464 763 D N 1.405 121.845 120.400 0.066 0.000 2.360 763 D HA 0.197 4.837 4.640 0.000 0.000 0.242 763 D C 0.167 176.603 176.300 0.227 0.000 1.184 763 D CA 0.078 54.172 54.000 0.157 0.000 0.930 763 D CB 1.084 41.960 40.800 0.126 0.000 1.161 763 D HN 0.348 nan 8.370 nan 0.000 0.447 764 I N 1.656 122.292 120.570 0.111 0.000 2.352 764 I HA 0.031 4.201 4.170 0.000 0.000 0.290 764 I C 0.316 176.429 176.117 -0.007 0.000 1.036 764 I CA -0.151 61.135 61.300 -0.024 0.000 1.336 764 I CB 0.573 38.488 38.000 -0.142 0.000 1.407 764 I HN -0.033 nan 8.210 nan 0.000 0.497 765 E N 6.943 127.164 120.200 0.035 0.000 2.141 765 E HA 0.217 4.567 4.350 0.000 0.000 0.259 765 E C -0.725 175.915 176.600 0.066 0.000 0.883 765 E CA -0.606 55.857 56.400 0.105 0.000 0.744 765 E CB 1.083 30.866 29.700 0.138 0.000 1.150 765 E HN 0.477 nan 8.360 nan 0.000 0.420 766 N N 1.333 120.075 118.700 0.070 0.000 2.642 766 N HA -0.208 4.532 4.740 0.000 0.000 0.269 766 N C -0.595 174.931 175.510 0.028 0.000 1.073 766 N CA 1.040 54.120 53.050 0.051 0.000 0.748 766 N CB -0.793 37.729 38.487 0.058 0.000 0.894 766 N HN 0.558 nan 8.380 nan 0.000 0.548 767 A N 0.103 122.919 122.820 -0.006 0.000 2.282 767 A HA 0.865 5.185 4.320 0.000 0.000 0.324 767 A C 0.296 177.867 177.584 -0.022 0.000 1.119 767 A CA -0.275 51.751 52.037 -0.020 0.000 0.880 767 A CB 1.315 20.252 19.000 -0.105 0.000 1.294 767 A HN 0.170 nan 8.150 nan 0.000 0.493 768 T N 0.901 115.450 114.554 -0.008 0.000 2.886 768 T HA 0.567 4.917 4.350 0.000 0.000 0.292 768 T C -0.708 173.915 174.700 -0.127 0.000 1.012 768 T CA -0.233 61.803 62.100 -0.106 0.000 0.982 768 T CB 0.885 69.692 68.868 -0.102 0.000 1.018 768 T HN 0.469 nan 8.240 nan 0.000 0.451 769 L N 2.923 124.003 121.223 -0.239 0.000 2.331 769 L HA 0.714 5.054 4.340 0.000 0.000 0.275 769 L C -1.132 175.580 176.870 -0.263 0.000 1.022 769 L CA -1.011 53.764 54.840 -0.108 0.000 0.812 769 L CB 1.035 43.075 42.059 -0.030 0.000 1.257 769 L HN 0.648 nan 8.230 nan 0.000 0.435 770 Y N 1.464 121.772 120.300 0.013 0.000 2.615 770 Y HA 0.602 5.152 4.550 0.000 0.000 0.341 770 Y C -0.349 175.493 175.900 -0.096 0.000 1.089 770 Y CA -0.814 57.308 58.100 0.036 0.000 1.049 770 Y CB 1.905 40.504 38.460 0.230 0.000 1.296 770 Y HN 0.274 nan 8.280 nan 0.000 0.470 771 I N 2.057 122.700 120.570 0.121 0.000 2.465 771 I HA 0.296 4.466 4.170 0.000 0.000 0.291 771 I C -1.469 174.809 176.117 0.267 0.000 1.014 771 I CA -0.973 60.260 61.300 -0.111 0.000 1.093 771 I CB 1.380 39.218 38.000 -0.269 0.000 1.267 771 I HN 0.413 nan 8.210 nan 0.000 0.431 772 Y N 4.455 124.741 120.300 -0.024 0.000 2.417 772 Y HA 0.499 5.049 4.550 0.000 0.000 0.336 772 Y C 0.602 176.467 175.900 -0.058 0.000 0.961 772 Y CA -1.700 56.385 58.100 -0.025 0.000 1.215 772 Y CB 1.326 39.767 38.460 -0.032 0.000 1.120 772 Y HN 0.562 nan 8.280 nan 0.000 0.499 773 A N 5.276 128.129 122.820 0.055 0.000 2.492 773 A HA 0.459 4.779 4.320 0.000 0.000 0.254 773 A C -0.219 177.284 177.584 -0.135 0.000 1.091 773 A CA 0.001 51.940 52.037 -0.165 0.000 0.768 773 A CB -0.220 18.702 19.000 -0.131 0.000 1.028 773 A HN 0.516 nan 8.150 nan 0.000 0.498 774 I N 3.154 123.603 120.570 -0.202 0.000 2.406 774 I HA 0.228 4.398 4.170 0.000 0.000 0.290 774 I C 0.621 176.669 176.117 -0.114 0.000 0.999 774 I CA -0.289 60.951 61.300 -0.099 0.000 1.124 774 I CB 1.330 39.308 38.000 -0.036 0.000 1.289 774 I HN 0.952 nan 8.210 nan 0.000 0.441 775 N N 5.042 123.699 118.700 -0.072 0.000 2.333 775 N HA 0.053 4.793 4.740 0.000 0.000 0.234 775 N C 0.603 176.096 175.510 -0.029 0.000 1.035 775 N CA 0.442 53.459 53.050 -0.056 0.000 1.171 775 N CB 0.194 38.654 38.487 -0.046 0.000 1.503 775 N HN 0.536 nan 8.380 nan 0.000 0.624 776 N N 1.493 120.181 118.700 -0.020 0.000 3.324 776 N HA 0.014 4.754 4.740 0.000 0.000 0.302 776 N C -0.832 174.675 175.510 -0.005 0.000 1.360 776 N CA 0.307 53.352 53.050 -0.009 0.000 1.190 776 N CB -0.395 38.087 38.487 -0.008 0.000 1.462 776 N HN 0.340 nan 8.380 nan 0.000 0.532 777 E N 0.416 120.616 120.200 -0.000 0.000 2.539 777 E HA -0.247 4.103 4.350 0.000 0.000 0.253 777 E C -1.100 175.501 176.600 0.000 0.000 1.145 777 E CA 0.808 57.214 56.400 0.009 0.000 0.738 777 E CB -0.840 28.868 29.700 0.014 0.000 1.308 777 E HN 0.485 nan 8.360 nan 0.000 0.409 778 K N 0.206 120.599 120.400 -0.012 0.000 2.507 778 K HA 0.465 4.785 4.320 0.000 0.000 0.252 778 K C -0.080 176.498 176.600 -0.036 0.000 0.943 778 K CA -0.573 55.700 56.287 -0.024 0.000 0.808 778 K CB 0.872 33.355 32.500 -0.029 0.000 1.142 778 K HN 0.077 nan 8.250 nan 0.000 0.426 779 I N 6.368 126.911 120.570 -0.044 0.000 2.598 779 I HA 0.034 4.204 4.170 0.000 0.000 0.284 779 I C 1.271 177.332 176.117 -0.094 0.000 1.140 779 I CA 0.396 61.652 61.300 -0.074 0.000 1.420 779 I CB 0.330 38.242 38.000 -0.146 0.000 1.387 779 I HN 0.687 nan 8.210 nan 0.000 0.553 780 I N 2.027 122.544 120.570 -0.087 0.000 4.082 780 I HA 0.469 4.639 4.170 0.000 0.000 0.337 780 I C 0.263 176.333 176.117 -0.078 0.000 1.352 780 I CA 0.104 61.358 61.300 -0.077 0.000 1.097 780 I CB 0.423 38.385 38.000 -0.062 0.000 1.048 780 I HN 0.656 nan 8.210 nan 0.000 0.393 781 E N 1.519 121.659 120.200 -0.100 0.000 2.584 781 E HA 0.304 4.654 4.350 0.000 0.000 0.295 781 E C -1.672 174.863 176.600 -0.109 0.000 1.109 781 E CA -0.678 55.672 56.400 -0.084 0.000 0.900 781 E CB 1.551 31.235 29.700 -0.026 0.000 1.195 781 E HN 0.189 nan 8.360 nan 0.000 0.433 782 K N 3.925 124.257 120.400 -0.113 0.000 2.483 782 K HA 0.471 4.791 4.320 0.000 0.000 0.256 782 K C -0.652 176.030 176.600 0.136 0.000 0.961 782 K CA -0.449 55.788 56.287 -0.083 0.000 0.873 782 K CB 1.057 33.347 32.500 -0.348 0.000 1.107 782 K HN 0.331 nan 8.250 nan 0.000 0.432 783 I N 3.215 123.926 120.570 0.235 0.000 2.330 783 I HA 0.186 4.356 4.170 0.000 0.000 0.286 783 I C 0.191 176.440 176.117 0.220 0.000 1.025 783 I CA -0.796 60.620 61.300 0.194 0.000 1.197 783 I CB 0.937 39.008 38.000 0.118 0.000 1.358 783 I HN 0.379 nan 8.210 nan 0.000 0.467 784 K N 6.808 127.306 120.400 0.164 0.000 2.451 784 K HA 0.146 4.466 4.320 0.000 0.000 0.280 784 K C 0.834 177.366 176.600 -0.113 0.000 1.020 784 K CA 0.224 56.401 56.287 -0.182 0.000 1.008 784 K CB 0.697 33.076 32.500 -0.201 0.000 0.917 784 K HN 0.811 nan 8.250 nan 0.000 0.478 785 I N 0.299 120.773 120.570 -0.159 0.000 4.456 785 I HA 0.428 4.598 4.170 0.000 0.000 0.329 785 I C 0.090 176.168 176.117 -0.065 0.000 1.313 785 I CA -0.508 60.754 61.300 -0.065 0.000 1.205 785 I CB 0.905 38.894 38.000 -0.018 0.000 1.179 785 I HN 0.501 nan 8.210 nan 0.000 0.419 786 A N 0.955 123.703 122.820 -0.119 0.000 2.490 786 A HA 0.685 5.005 4.320 0.000 0.000 0.292 786 A C -1.648 175.873 177.584 -0.106 0.000 1.047 786 A CA -0.570 51.419 52.037 -0.081 0.000 0.632 786 A CB 1.068 20.045 19.000 -0.040 0.000 1.323 786 A HN 0.228 nan 8.150 nan 0.000 0.448 787 E N 0.258 120.424 120.200 -0.058 0.000 2.265 787 E HA 0.495 4.845 4.350 0.000 0.000 0.262 787 E C -1.620 174.977 176.600 -0.006 0.000 0.889 787 E CA -0.245 56.128 56.400 -0.045 0.000 0.789 787 E CB 1.978 31.658 29.700 -0.034 0.000 1.221 787 E HN 0.490 nan 8.360 nan 0.000 0.414 788 I N 2.723 123.289 120.570 -0.007 0.000 2.330 788 I HA 0.048 4.218 4.170 0.000 0.000 0.289 788 I C 1.422 177.567 176.117 0.048 0.000 1.001 788 I CA -0.020 61.297 61.300 0.029 0.000 1.193 788 I CB 1.467 39.459 38.000 -0.013 0.000 1.345 788 I HN 0.543 nan 8.210 nan 0.000 0.461 789 S N 4.967 120.722 115.700 0.091 0.000 2.387 789 S HA -0.031 4.439 4.470 0.000 0.000 0.226 789 S C 0.657 175.372 174.600 0.191 0.000 1.026 789 S CA 0.738 59.005 58.200 0.110 0.000 0.972 789 S CB -0.031 63.230 63.200 0.101 0.000 0.814 789 S HN 0.786 nan 8.310 nan 0.000 0.477 793 Y N 2.130 122.418 120.300 -0.019 0.000 2.544 793 Y HA 0.349 4.899 4.550 0.000 0.000 0.286 793 Y C 0.908 176.781 175.900 -0.045 0.000 1.141 793 Y CA 0.442 58.516 58.100 -0.044 0.000 1.299 793 Y CB 0.106 38.521 38.460 -0.076 0.000 1.030 793 Y HN 0.299 nan 8.280 nan 0.000 0.543 794 L N 0.741 121.658 121.223 -0.510 0.000 2.808 794 L HA 0.295 4.635 4.340 0.000 0.000 0.246 794 L C 0.133 176.917 176.870 -0.143 0.000 1.153 794 L CA 0.086 54.688 54.840 -0.396 0.000 0.956 794 L CB 0.152 41.897 42.059 -0.523 0.000 1.270 794 L HN 0.193 nan 8.230 nan 0.000 0.528 795 N N 0.744 119.408 118.700 -0.061 0.000 2.666 795 N HA 0.046 4.786 4.740 0.000 0.000 0.253 795 N C -0.187 175.386 175.510 0.106 0.000 1.621 795 N CA 0.014 53.084 53.050 0.033 0.000 0.785 795 N CB 0.889 39.403 38.487 0.045 0.000 1.332 795 N HN 0.148 nan 8.380 nan 0.000 0.514 796 E N 0.640 120.886 120.200 0.077 0.000 2.973 796 E HA 0.059 4.409 4.350 0.000 0.000 0.279 796 E C -0.100 176.599 176.600 0.165 0.000 1.473 796 E CA 0.248 56.669 56.400 0.035 0.000 1.251 796 E CB 0.231 29.942 29.700 0.017 0.000 1.063 796 E HN 0.393 nan 8.360 nan 0.000 0.685 797 Y N -4.491 115.829 120.300 0.033 0.000 2.638 797 Y HA 0.409 4.959 4.550 0.000 0.000 0.334 797 Y C -3.103 172.720 175.900 -0.128 0.000 1.182 797 Y CA -2.184 55.906 58.100 -0.017 0.000 1.102 797 Y CB 0.225 38.670 38.460 -0.025 0.000 1.343 797 Y HN 0.284 nan 8.280 nan 0.000 0.463 798 P HA 0.404 nan 4.420 nan 0.000 0.277 798 P C -1.157 176.005 177.300 -0.231 0.000 1.240 798 P CA 0.019 62.819 63.100 -0.501 0.000 0.798 798 P CB 2.214 33.359 31.700 -0.926 0.000 0.979 799 I N 1.727 122.108 120.570 -0.316 0.000 2.378 799 I HA 0.417 4.587 4.170 0.000 0.000 0.291 799 I C 0.003 176.018 176.117 -0.171 0.000 0.992 799 I CA -0.812 60.400 61.300 -0.146 0.000 1.154 799 I CB 1.214 39.138 38.000 -0.127 0.000 1.315 799 I HN 0.440 nan 8.210 nan 0.000 0.448 800 A N 6.281 129.045 122.820 -0.095 0.000 2.363 800 A HA 0.723 5.043 4.320 0.000 0.000 0.270 800 A C -0.803 176.778 177.584 -0.004 0.000 1.121 800 A CA -0.294 51.705 52.037 -0.063 0.000 0.800 800 A CB 0.899 19.892 19.000 -0.012 0.000 1.052 800 A HN 0.692 nan 8.150 nan 0.000 0.493 801 V N 3.038 122.973 119.914 0.034 0.000 2.882 801 V HA 0.388 4.508 4.120 0.000 0.000 0.295 801 V C -1.733 174.419 176.094 0.096 0.000 1.273 801 V CA -0.869 61.465 62.300 0.057 0.000 0.949 801 V CB 2.328 34.181 31.823 0.050 0.000 1.071 801 V HN 1.031 nan 8.190 nan 0.000 0.432 802 N N 4.325 123.075 118.700 0.084 0.000 2.408 802 N HA 0.813 5.553 4.740 0.000 0.000 0.280 802 N C -1.143 174.411 175.510 0.074 0.000 1.002 802 N CA -0.412 52.693 53.050 0.091 0.000 0.907 802 N CB 2.196 40.727 38.487 0.073 0.000 1.161 802 N HN 0.475 nan 8.380 nan 0.000 0.488 803 V N 0.823 120.790 119.914 0.089 0.000 2.888 803 V HA 0.507 4.627 4.120 0.000 0.000 0.309 803 V C -0.447 175.677 176.094 0.051 0.000 1.114 803 V CA -0.735 61.605 62.300 0.066 0.000 0.940 803 V CB 2.420 34.283 31.823 0.067 0.000 1.021 803 V HN 0.654 nan 8.190 nan 0.000 0.426 804 T N 5.397 119.969 114.554 0.030 0.000 2.767 804 T HA 0.704 5.054 4.350 0.000 0.000 0.284 804 T C -0.504 174.221 174.700 0.041 0.000 0.973 804 T CA -0.233 61.870 62.100 0.005 0.000 0.996 804 T CB 0.716 69.586 68.868 0.003 0.000 0.927 804 T HN 0.354 nan 8.240 nan 0.000 0.456 805 L N 5.916 127.168 121.223 0.047 0.000 2.346 805 L HA 0.492 4.832 4.340 0.000 0.000 0.276 805 L C -1.666 175.309 176.870 0.174 0.000 1.006 805 L CA -2.273 52.660 54.840 0.156 0.000 0.817 805 L CB 2.016 44.176 42.059 0.168 0.000 1.272 805 L HN 0.406 nan 8.230 nan 0.000 0.421 806 P HA 0.110 nan 4.420 nan 0.000 0.335 806 P C -0.421 176.967 177.300 0.147 0.000 1.379 806 P CA -0.021 63.149 63.100 0.117 0.000 0.794 806 P CB 0.980 32.721 31.700 0.068 0.000 1.849 807 N N -0.989 117.754 118.700 0.071 0.000 2.077 807 N HA 0.308 5.048 4.740 0.000 0.000 0.236 807 N C 0.239 175.735 175.510 -0.023 0.000 1.060 807 N CA 0.381 53.470 53.050 0.064 0.000 1.130 807 N CB -0.498 38.009 38.487 0.034 0.000 1.478 807 N HN 0.575 nan 8.380 nan 0.000 0.586 808 A N -0.394 122.384 122.820 -0.070 0.000 5.100 808 A HA -0.189 4.131 4.320 0.000 0.000 0.533 808 A C 1.048 178.558 177.584 -0.124 0.000 1.142 808 A CA 0.955 52.903 52.037 -0.149 0.000 0.463 808 A CB -1.619 17.195 19.000 -0.309 0.000 3.021 808 A HN 0.677 nan 8.150 nan 0.000 0.487 809 T N -2.045 112.445 114.554 -0.106 0.000 3.035 809 T HA 0.464 4.814 4.350 0.000 0.000 0.259 809 T C 0.794 175.484 174.700 -0.017 0.000 1.078 809 T CA 1.675 63.756 62.100 -0.031 0.000 1.132 809 T CB -0.537 68.328 68.868 -0.005 0.000 0.900 809 T HN 2.540 nan 8.240 nan 0.000 0.480 810 S N -0.631 114.994 115.700 -0.126 0.000 2.625 810 S HA 0.695 5.165 4.470 0.000 0.000 0.271 810 S C -2.060 172.403 174.600 -0.227 0.000 1.161 810 S CA -1.159 57.029 58.200 -0.020 0.000 0.820 810 S CB 1.103 64.346 63.200 0.072 0.000 1.137 810 S HN 0.262 nan 8.310 nan 0.000 0.470 811 Y N -0.206 120.157 120.300 0.106 0.000 2.462 811 Y HA 0.653 5.203 4.550 0.000 0.000 0.346 811 Y C 0.263 176.215 175.900 0.088 0.000 0.976 811 Y CA -0.889 57.251 58.100 0.067 0.000 1.044 811 Y CB 1.926 40.400 38.460 0.025 0.000 1.230 811 Y HN 0.539 nan 8.280 nan 0.000 0.455 812 R N 2.618 123.203 120.500 0.143 0.000 2.360 812 R HA 0.427 4.767 4.340 0.000 0.000 0.318 812 R C -1.701 174.556 176.300 -0.072 0.000 0.950 812 R CA -0.704 55.447 56.100 0.085 0.000 0.837 812 R CB 1.004 31.308 30.300 0.006 0.000 1.165 812 R HN 0.454 nan 8.270 nan 0.000 0.458 813 F N 2.632 122.579 119.950 -0.005 0.000 2.445 813 F HA 0.226 4.753 4.527 0.000 0.000 0.359 813 F C 0.455 176.200 175.800 -0.092 0.000 1.101 813 F CA -0.345 57.641 58.000 -0.023 0.000 1.177 813 F CB 1.003 40.006 39.000 0.006 0.000 1.110 813 F HN 0.060 nan 8.300 nan 0.000 0.522 814 V N 5.438 125.327 119.914 -0.041 0.000 2.680 814 V HA 0.492 4.612 4.120 0.000 0.000 0.309 814 V C -0.603 175.550 176.094 0.098 0.000 1.052 814 V CA -0.994 61.259 62.300 -0.079 0.000 0.908 814 V CB 2.245 33.785 31.823 -0.472 0.000 1.001 814 V HN 0.636 nan 8.190 nan 0.000 0.431 815 L N 4.506 125.803 121.223 0.124 0.000 2.346 815 L HA 0.861 5.201 4.340 0.000 0.000 0.274 815 L C -1.307 175.665 176.870 0.170 0.000 1.007 815 L CA -0.444 54.467 54.840 0.119 0.000 0.818 815 L CB 2.001 44.050 42.059 -0.016 0.000 1.284 815 L HN 0.482 nan 8.230 nan 0.000 0.424 816 V N 4.597 124.609 119.914 0.163 0.000 2.531 816 V HA 0.606 4.726 4.120 0.000 0.000 0.301 816 V C -0.683 175.477 176.094 0.109 0.000 1.034 816 V CA -0.309 62.069 62.300 0.131 0.000 0.865 816 V CB 1.621 33.549 31.823 0.176 0.000 0.995 816 V HN 0.942 nan 8.190 nan 0.000 0.424 817 Q N 3.377 123.246 119.800 0.115 0.000 2.804 817 Q HA 0.537 4.877 4.340 0.000 0.000 0.302 817 Q C -1.632 174.462 176.000 0.158 0.000 0.885 817 Q CA -1.323 54.554 55.803 0.123 0.000 0.759 817 Q CB 1.462 30.249 28.738 0.080 0.000 1.465 817 Q HN 0.355 nan 8.270 nan 0.000 0.432 818 K N 0.518 121.003 120.400 0.142 0.000 2.484 818 K HA 0.517 4.837 4.320 0.000 0.000 0.280 818 K C 0.031 176.756 176.600 0.208 0.000 1.013 818 K CA 0.854 57.224 56.287 0.139 0.000 1.029 818 K CB 0.590 33.144 32.500 0.091 0.000 0.902 818 K HN 0.785 nan 8.250 nan 0.000 0.481 819 G N 2.804 111.719 108.800 0.191 0.000 2.600 819 G HA2 0.471 4.431 3.960 0.000 0.000 0.293 819 G HA3 0.471 4.431 3.960 0.000 0.000 0.293 819 G C -3.193 171.818 174.900 0.184 0.000 1.408 819 G CA -0.972 44.284 45.100 0.259 0.000 0.782 819 G HN 0.192 nan 8.290 nan 0.000 0.482 820 P HA 0.597 nan 4.420 nan 0.000 0.281 820 P C -0.426 176.919 177.300 0.075 0.000 1.249 820 P CA -0.378 62.824 63.100 0.169 0.000 0.810 820 P CB 1.194 33.019 31.700 0.209 0.000 1.008 821 I N -2.434 118.147 120.570 0.018 0.000 3.195 821 I HA 0.913 5.083 4.170 0.000 0.000 0.313 821 I C -0.285 175.797 176.117 -0.059 0.000 1.237 821 I CA -1.111 60.095 61.300 -0.157 0.000 0.963 821 I CB 1.941 39.581 38.000 -0.601 0.000 1.278 821 I HN 0.643 nan 8.210 nan 0.000 0.460 822 G N 1.414 110.127 108.800 -0.146 0.000 2.719 822 G HA2 0.184 4.144 3.960 0.000 0.000 0.686 822 G HA3 0.184 4.144 3.960 0.000 0.000 0.686 822 G C -1.351 173.530 174.900 -0.031 0.000 1.201 822 G CA -0.466 44.554 45.100 -0.133 0.000 0.768 822 G HN 1.113 nan 8.290 nan 0.000 0.629 823 V N 3.546 123.410 119.914 -0.084 0.000 2.501 823 V HA 0.356 4.476 4.120 0.000 0.000 0.277 823 V C 0.836 176.912 176.094 -0.030 0.000 1.004 823 V CA -0.817 61.477 62.300 -0.009 0.000 0.862 823 V CB 1.305 33.166 31.823 0.063 0.000 1.035 823 V HN 0.835 nan 8.190 nan 0.000 0.448 824 L N 5.069 126.297 121.223 0.008 0.000 2.615 824 L HA 0.036 4.376 4.340 0.000 0.000 0.284 824 L C 1.065 177.934 176.870 -0.002 0.000 1.237 824 L CA 0.576 55.420 54.840 0.006 0.000 0.905 824 L CB 0.255 42.323 42.059 0.014 0.000 1.149 824 L HN 0.627 nan 8.230 nan 0.000 0.499 825 L N 2.000 123.220 121.223 -0.006 0.000 2.640 825 L HA 0.300 4.640 4.340 0.000 0.000 0.230 825 L C 0.167 177.041 176.870 0.007 0.000 1.123 825 L CA 0.230 55.080 54.840 0.016 0.000 0.900 825 L CB -0.008 42.066 42.059 0.024 0.000 1.146 825 L HN 0.700 nan 8.230 nan 0.000 0.484 826 D N -0.564 119.834 120.400 -0.003 0.000 2.639 826 D HA 0.323 4.963 4.640 0.000 0.000 0.271 826 D C -0.954 175.337 176.300 -0.015 0.000 1.254 826 D CA -0.495 53.500 54.000 -0.008 0.000 0.810 826 D CB 2.163 42.960 40.800 -0.005 0.000 1.351 826 D HN -0.143 nan 8.370 nan 0.000 0.427 827 A N 1.956 124.764 122.820 -0.020 0.000 2.491 827 A HA 0.367 4.687 4.320 0.000 0.000 0.261 827 A C -2.082 175.493 177.584 -0.015 0.000 1.101 827 A CA -0.604 51.418 52.037 -0.025 0.000 0.772 827 A CB -0.352 18.632 19.000 -0.027 0.000 1.043 827 A HN 0.187 nan 8.150 nan 0.000 0.501 828 P HA 0.130 nan 4.420 nan 0.000 0.269 828 P C -0.686 176.609 177.300 -0.009 0.000 1.209 828 P CA 0.208 63.305 63.100 -0.004 0.000 0.776 828 P CB 0.662 32.358 31.700 -0.006 0.000 0.876 829 K N 1.242 121.641 120.400 -0.003 0.000 2.164 829 K HA 0.579 4.899 4.320 0.000 0.000 0.258 829 K C -0.814 175.784 176.600 -0.005 0.000 0.951 829 K CA -0.996 55.288 56.287 -0.005 0.000 0.844 829 K CB 1.765 34.263 32.500 -0.003 0.000 1.099 829 K HN 0.173 nan 8.250 nan 0.000 0.435 830 V N 3.518 123.427 119.914 -0.007 0.000 2.525 830 V HA 0.163 4.283 4.120 0.000 0.000 0.299 830 V C -0.431 175.660 176.094 -0.006 0.000 1.034 830 V CA -1.010 61.286 62.300 -0.007 0.000 0.863 830 V CB 1.419 33.236 31.823 -0.010 0.000 0.999 830 V HN 0.866 nan 8.190 nan 0.000 0.423 831 N N 4.076 122.774 118.700 -0.004 0.000 2.727 831 N HA -0.232 4.508 4.740 0.000 0.000 0.249 831 N C 1.205 176.712 175.510 -0.004 0.000 1.048 831 N CA 1.787 54.835 53.050 -0.003 0.000 0.714 831 N CB -0.969 37.516 38.487 -0.004 0.000 0.959 831 N HN 1.528 nan 8.380 nan 0.000 0.544 832 G N -1.371 107.427 108.800 -0.003 0.000 2.336 832 G HA2 -0.334 3.626 3.960 0.000 0.000 0.233 832 G HA3 -0.334 3.626 3.960 0.000 0.000 0.233 832 G C 0.061 174.958 174.900 -0.005 0.000 1.053 832 G CA 0.580 45.678 45.100 -0.004 0.000 0.625 832 G HN 0.530 nan 8.290 nan 0.000 0.511 833 E N -0.086 120.110 120.200 -0.007 0.000 2.342 833 E HA 0.586 4.936 4.350 0.000 0.000 0.257 833 E C -0.371 176.223 176.600 -0.011 0.000 1.150 833 E CA -0.864 55.531 56.400 -0.009 0.000 0.926 833 E CB 1.351 31.046 29.700 -0.009 0.000 1.074 833 E HN 0.190 nan 8.360 nan 0.000 0.449 834 I N 1.564 122.126 120.570 -0.013 0.000 2.472 834 I HA 0.128 4.298 4.170 0.000 0.000 0.290 834 I C -0.107 175.998 176.117 -0.020 0.000 1.016 834 I CA 0.268 61.559 61.300 -0.016 0.000 1.348 834 I CB 0.245 38.234 38.000 -0.017 0.000 1.417 834 I HN 0.351 nan 8.210 nan 0.000 0.521 835 R N 3.300 123.786 120.500 -0.024 0.000 2.869 835 R HA 0.435 4.775 4.340 0.000 0.000 0.263 835 R C -0.999 175.277 176.300 -0.039 0.000 1.066 835 R CA -1.016 55.066 56.100 -0.030 0.000 0.960 835 R CB 1.522 31.805 30.300 -0.028 0.000 1.221 835 R HN 0.482 nan 8.270 nan 0.000 0.474 836 S N 2.542 118.214 115.700 -0.048 0.000 2.489 836 S HA 0.231 4.701 4.470 0.000 0.000 0.277 836 S C -1.619 172.941 174.600 -0.067 0.000 1.230 836 S CA -1.472 56.690 58.200 -0.062 0.000 1.053 836 S CB 0.722 63.880 63.200 -0.069 0.000 0.955 836 S HN 0.274 nan 8.310 nan 0.000 0.488 837 P HA 0.011 nan 4.420 nan 0.000 0.261 837 P C 0.570 177.818 177.300 -0.087 0.000 1.297 837 P CA 0.596 63.655 63.100 -0.069 0.000 0.757 837 P CB -0.499 31.160 31.700 -0.069 0.000 1.149 838 T N -6.303 108.193 114.554 -0.098 0.000 3.087 838 T HA 0.200 4.550 4.350 0.000 0.000 0.283 838 T C 0.624 175.255 174.700 -0.116 0.000 0.956 838 T CA -0.288 61.741 62.100 -0.118 0.000 0.894 838 T CB -0.241 68.545 68.868 -0.137 0.000 1.160 838 T HN -0.047 nan 8.240 nan 0.000 0.532 839 N N 0.627 119.271 118.700 -0.093 0.000 2.604 839 N HA 0.282 5.022 4.740 0.000 0.000 0.284 839 N C 0.502 175.975 175.510 -0.061 0.000 1.716 839 N CA -0.042 52.958 53.050 -0.084 0.000 0.859 839 N CB 0.966 39.404 38.487 -0.082 0.000 1.403 839 N HN 0.182 nan 8.380 nan 0.000 0.501 840 I N 0.027 120.563 120.570 -0.056 0.000 2.315 840 I HA -0.184 3.986 4.170 0.000 0.000 0.251 840 I C -0.427 175.672 176.117 -0.030 0.000 1.125 840 I CA 1.599 62.874 61.300 -0.041 0.000 1.392 840 I CB 0.377 38.354 38.000 -0.039 0.000 1.065 840 I HN 0.110 nan 8.210 nan 0.000 0.424 841 L N -0.404 120.802 121.223 -0.028 0.000 2.445 841 L HA 0.416 4.756 4.340 0.000 0.000 0.262 841 L C -0.302 176.560 176.870 -0.014 0.000 0.974 841 L CA -0.431 54.400 54.840 -0.016 0.000 0.822 841 L CB 1.911 43.966 42.059 -0.007 0.000 1.339 841 L HN -0.108 nan 8.230 nan 0.000 0.409 842 R N 0.747 121.243 120.500 -0.007 0.000 2.577 842 R HA 0.318 4.658 4.340 0.000 0.000 0.269 842 R C -0.314 175.995 176.300 0.014 0.000 1.084 842 R CA -0.844 55.255 56.100 -0.001 0.000 1.163 842 R CB 0.586 30.885 30.300 -0.001 0.000 1.100 842 R HN 0.543 nan 8.270 nan 0.000 0.547 843 E N 0.422 120.637 120.200 0.025 0.000 2.415 843 E HA -0.014 4.336 4.350 0.000 0.000 0.260 843 E C 0.519 177.139 176.600 0.035 0.000 1.016 843 E CA 1.024 57.450 56.400 0.043 0.000 0.924 843 E CB 0.284 30.019 29.700 0.058 0.000 0.961 843 E HN 0.777 nan 8.360 nan 0.000 0.459 844 G N 4.146 112.967 108.800 0.036 0.000 2.383 844 G HA2 -0.342 3.618 3.960 0.000 0.000 0.229 844 G HA3 -0.342 3.618 3.960 0.000 0.000 0.229 844 G C 0.308 175.220 174.900 0.020 0.000 1.089 844 G CA 0.302 45.419 45.100 0.028 0.000 0.640 844 G HN 0.643 nan 8.290 nan 0.000 0.510 845 E N 1.640 121.850 120.200 0.016 0.000 2.413 845 E HA 0.475 4.825 4.350 0.000 0.000 0.263 845 E C 0.459 177.064 176.600 0.010 0.000 1.015 845 E CA 0.460 56.866 56.400 0.010 0.000 0.916 845 E CB 0.393 30.097 29.700 0.005 0.000 0.947 845 E HN 0.603 nan 8.360 nan 0.000 0.440 846 S N 1.984 117.687 115.700 0.006 0.000 2.634 846 S HA 0.945 5.415 4.470 0.000 0.000 0.296 846 S C -0.081 174.519 174.600 0.001 0.000 1.104 846 S CA -0.340 57.863 58.200 0.005 0.000 0.920 846 S CB 2.062 65.265 63.200 0.006 0.000 1.111 846 S HN 0.824 nan 8.310 nan 0.000 0.493 847 G N -0.209 108.590 108.800 -0.001 0.000 2.322 847 G HA2 0.396 4.356 3.960 0.000 0.000 0.295 847 G HA3 0.396 4.356 3.960 0.000 0.000 0.295 847 G C -2.092 172.806 174.900 -0.003 0.000 1.369 847 G CA -0.836 44.263 45.100 -0.002 0.000 0.821 847 G HN 0.839 nan 8.290 nan 0.000 0.536 848 E N 0.144 120.342 120.200 -0.003 0.000 2.130 848 E HA 0.480 4.830 4.350 0.000 0.000 0.284 848 E C -0.365 176.234 176.600 -0.001 0.000 1.018 848 E CA -0.483 55.916 56.400 -0.002 0.000 0.817 848 E CB 0.605 30.304 29.700 -0.000 0.000 1.078 848 E HN 0.339 nan 8.360 nan 0.000 0.396 849 I N 3.956 124.525 120.570 -0.001 0.000 2.385 849 I HA 0.238 4.408 4.170 0.000 0.000 0.294 849 I C 0.233 176.357 176.117 0.012 0.000 0.988 849 I CA -0.373 60.927 61.300 0.001 0.000 1.265 849 I CB 1.478 39.474 38.000 -0.007 0.000 1.388 849 I HN 0.555 nan 8.210 nan 0.000 0.480 850 E N 7.267 127.476 120.200 0.015 0.000 2.222 850 E HA 0.699 5.049 4.350 0.000 0.000 0.267 850 E C -1.768 174.853 176.600 0.035 0.000 0.884 850 E CA -0.664 55.751 56.400 0.024 0.000 0.764 850 E CB 1.791 31.500 29.700 0.014 0.000 1.169 850 E HN 0.478 nan 8.360 nan 0.000 0.413 851 L N 3.381 124.638 121.223 0.057 0.000 2.464 851 L HA 0.483 4.823 4.340 0.000 0.000 0.266 851 L C -0.505 176.391 176.870 0.044 0.000 0.965 851 L CA -0.923 53.960 54.840 0.070 0.000 0.833 851 L CB 2.044 44.196 42.059 0.155 0.000 1.296 851 L HN 0.376 nan 8.230 nan 0.000 0.405 852 K N 2.498 122.908 120.400 0.015 0.000 2.248 852 K HA 0.618 4.938 4.320 0.000 0.000 0.281 852 K C -1.314 175.256 176.600 -0.051 0.000 1.054 852 K CA -0.430 55.845 56.287 -0.019 0.000 0.903 852 K CB 1.368 33.859 32.500 -0.015 0.000 1.077 852 K HN 0.432 nan 8.250 nan 0.000 0.474 853 V N 3.308 123.149 119.914 -0.122 0.000 2.444 853 V HA 0.448 4.568 4.120 0.000 0.000 0.294 853 V C 0.313 176.206 176.094 -0.336 0.000 1.022 853 V CA -0.896 61.268 62.300 -0.227 0.000 0.850 853 V CB 1.648 33.230 31.823 -0.400 0.000 0.992 853 V HN 0.918 nan 8.190 nan 0.000 0.426 854 G N 3.241 111.763 108.800 -0.462 0.000 2.379 854 G HA2 0.721 4.681 3.960 0.000 0.000 0.327 854 G HA3 0.721 4.681 3.960 0.000 0.000 0.327 854 G C -0.768 173.561 174.900 -0.952 0.000 1.145 854 G CA -0.470 44.068 45.100 -0.937 0.000 0.905 854 G HN 1.102 nan 8.290 nan 0.000 0.466 855 V N -0.919 118.555 119.914 -0.733 0.000 3.049 855 V HA 0.553 4.673 4.120 0.000 0.000 0.309 855 V C -0.453 175.696 176.094 0.092 0.000 1.148 855 V CA -0.952 61.205 62.300 -0.239 0.000 0.990 855 V CB 2.427 34.193 31.823 -0.095 0.000 1.039 855 V HN 0.551 nan 8.190 nan 0.000 0.430 856 D N 1.413 121.977 120.400 0.273 0.000 2.328 856 D HA 0.251 4.892 4.640 0.000 0.000 0.221 856 D C 0.191 176.601 176.300 0.183 0.000 1.072 856 D CA 0.584 54.751 54.000 0.278 0.000 0.850 856 D CB 0.638 41.592 40.800 0.257 0.000 0.922 856 D HN 0.656 nan 8.370 nan 0.000 0.516 857 K N 0.363 120.883 120.400 0.199 0.000 2.607 857 K HA 0.117 4.437 4.320 0.000 0.000 0.287 857 K C -1.800 174.778 176.600 -0.037 0.000 0.996 857 K CA -0.688 55.608 56.287 0.014 0.000 0.876 857 K CB 1.885 34.297 32.500 -0.147 0.000 1.496 857 K HN -0.339 nan 8.250 nan 0.000 0.415 858 D N 1.851 122.146 120.400 -0.175 0.000 2.343 858 D HA 0.206 4.846 4.640 0.000 0.000 0.255 858 D C -1.073 175.067 176.300 -0.266 0.000 1.187 858 D CA 0.717 54.637 54.000 -0.132 0.000 0.875 858 D CB 0.145 40.876 40.800 -0.115 0.000 1.136 858 D HN 0.243 nan 8.370 nan 0.000 0.469 859 Y N 0.211 120.485 120.300 -0.043 0.000 2.536 859 Y HA 0.374 4.924 4.550 0.000 0.000 0.347 859 Y C 0.476 176.363 175.900 -0.021 0.000 1.000 859 Y CA -0.835 57.247 58.100 -0.030 0.000 1.051 859 Y CB 2.163 40.603 38.460 -0.033 0.000 1.259 859 Y HN 0.011 nan 8.280 nan 0.000 0.468 860 T N 2.550 117.207 114.554 0.171 0.000 2.809 860 T HA 0.786 5.136 4.350 0.000 0.000 0.296 860 T C -0.724 174.061 174.700 0.143 0.000 1.015 860 T CA -0.590 61.576 62.100 0.110 0.000 0.954 860 T CB 0.415 69.323 68.868 0.066 0.000 0.950 860 T HN 0.725 nan 8.240 nan 0.000 0.450 861 A N 3.320 126.226 122.820 0.144 0.000 2.479 861 A HA 0.842 5.162 4.320 0.000 0.000 0.296 861 A C -0.999 176.680 177.584 0.158 0.000 1.121 861 A CA -0.913 51.227 52.037 0.173 0.000 0.743 861 A CB 1.236 20.370 19.000 0.223 0.000 1.323 861 A HN 0.617 nan 8.150 nan 0.000 0.415 862 D N -0.710 119.770 120.400 0.134 0.000 2.466 862 D HA 0.621 5.261 4.640 0.000 0.000 0.262 862 D C -0.851 175.447 176.300 -0.002 0.000 1.177 862 D CA 0.042 54.043 54.000 0.001 0.000 1.035 862 D CB 1.320 42.070 40.800 -0.084 0.000 1.105 862 D HN 0.404 nan 8.370 nan 0.000 0.551 863 L N 0.713 121.776 121.223 -0.267 0.000 2.470 863 L HA 0.447 4.787 4.340 0.000 0.000 0.268 863 L C -1.964 174.683 176.870 -0.370 0.000 0.964 863 L CA -0.430 54.219 54.840 -0.319 0.000 0.839 863 L CB 1.030 42.842 42.059 -0.411 0.000 1.276 863 L HN 0.288 nan 8.230 nan 0.000 0.403 864 Y N 3.783 124.011 120.300 -0.120 0.000 2.662 864 Y HA 0.653 5.203 4.550 0.000 0.000 0.335 864 Y C -0.685 175.238 175.900 0.038 0.000 1.066 864 Y CA -1.085 57.030 58.100 0.026 0.000 1.116 864 Y CB 1.683 40.270 38.460 0.211 0.000 1.308 864 Y HN 0.357 nan 8.280 nan 0.000 0.502 865 L N 2.499 123.893 121.223 0.285 0.000 2.294 865 L HA 0.522 4.862 4.340 0.000 0.000 0.283 865 L C -0.369 176.601 176.870 0.166 0.000 1.015 865 L CA -0.479 54.445 54.840 0.140 0.000 0.831 865 L CB 1.196 43.309 42.059 0.089 0.000 1.217 865 L HN 0.513 nan 8.230 nan 0.000 0.420 866 R N 3.149 123.658 120.500 0.015 0.000 2.387 866 R HA 0.725 5.065 4.340 0.000 0.000 0.314 866 R C -0.660 175.457 176.300 -0.305 0.000 0.958 866 R CA -0.389 55.559 56.100 -0.253 0.000 0.846 866 R CB 1.803 31.743 30.300 -0.601 0.000 1.147 866 R HN 0.662 nan 8.270 nan 0.000 0.447 867 A N 2.528 125.090 122.820 -0.430 0.000 2.293 867 A HA 0.546 4.866 4.320 0.000 0.000 0.302 867 A C -0.731 176.510 177.584 -0.573 0.000 1.119 867 A CA -0.313 51.410 52.037 -0.522 0.000 0.823 867 A CB 1.263 19.869 19.000 -0.657 0.000 1.097 867 A HN 0.707 nan 8.150 nan 0.000 0.491 868 T N 1.917 116.216 114.554 -0.425 0.000 3.187 868 T HA 0.374 4.724 4.350 0.000 0.000 0.328 868 T C -1.006 173.600 174.700 -0.157 0.000 0.951 868 T CA -0.006 61.954 62.100 -0.234 0.000 1.049 868 T CB -0.212 68.562 68.868 -0.158 0.000 1.015 868 T HN 0.375 nan 8.240 nan 0.000 0.461 869 F N 2.681 122.589 119.950 -0.070 0.000 2.420 869 F HA 0.554 5.081 4.527 0.000 0.000 0.352 869 F C 0.620 176.579 175.800 0.265 0.000 1.108 869 F CA -0.837 57.248 58.000 0.141 0.000 1.162 869 F CB 0.798 39.969 39.000 0.285 0.000 1.118 869 F HN 0.337 nan 8.300 nan 0.000 0.510 870 I N 5.341 126.124 120.570 0.355 0.000 2.410 870 I HA 0.320 4.490 4.170 0.000 0.000 0.286 870 I C -1.110 175.179 176.117 0.285 0.000 1.009 870 I CA -0.796 60.650 61.300 0.244 0.000 1.111 870 I CB 1.126 39.203 38.000 0.128 0.000 1.262 870 I HN 0.580 nan 8.210 nan 0.000 0.443 871 Y N 4.948 125.281 120.300 0.056 0.000 2.625 871 Y HA 0.741 5.291 4.550 0.000 0.000 0.338 871 Y C -1.688 174.146 175.900 -0.110 0.000 1.123 871 Y CA -1.415 56.677 58.100 -0.013 0.000 1.046 871 Y CB 1.117 39.619 38.460 0.070 0.000 1.299 871 Y HN 0.196 nan 8.280 nan 0.000 0.464 872 L N 2.336 123.479 121.223 -0.134 0.000 2.334 872 L HA 0.798 5.138 4.340 0.000 0.000 0.275 872 L C -0.938 175.889 176.870 -0.071 0.000 1.036 872 L CA -1.479 53.231 54.840 -0.216 0.000 0.807 872 L CB 1.795 43.691 42.059 -0.272 0.000 1.231 872 L HN 0.556 nan 8.230 nan 0.000 0.438 873 V N 1.986 121.828 119.914 -0.119 0.000 2.419 873 V HA 0.287 4.407 4.120 0.000 0.000 0.287 873 V C 0.099 176.180 176.094 -0.022 0.000 1.017 873 V CA -0.666 61.547 62.300 -0.145 0.000 0.844 873 V CB 1.295 32.839 31.823 -0.465 0.000 1.011 873 V HN 0.727 nan 8.190 nan 0.000 0.429 874 R N 4.256 124.842 120.500 0.143 0.000 2.473 874 R HA 0.034 4.374 4.340 0.000 0.000 0.315 874 R C 1.199 177.461 176.300 -0.062 0.000 0.972 874 R CA 0.386 56.539 56.100 0.088 0.000 1.047 874 R CB 0.432 30.855 30.300 0.205 0.000 0.932 874 R HN 0.831 nan 8.270 nan 0.000 0.411 875 K N 1.630 121.949 120.400 -0.135 0.000 2.374 875 K HA 0.116 4.436 4.320 0.000 0.000 0.196 875 K C -0.373 176.173 176.600 -0.089 0.000 1.023 875 K CA -0.062 56.167 56.287 -0.097 0.000 1.103 875 K CB 0.495 32.939 32.500 -0.092 0.000 0.848 875 K HN 0.534 nan 8.250 nan 0.000 0.528 876 S N -0.936 114.686 115.700 -0.129 0.000 2.625 876 S HA 0.709 5.179 4.470 0.000 0.000 0.271 876 S C -0.200 174.339 174.600 -0.102 0.000 1.161 876 S CA -0.435 57.709 58.200 -0.094 0.000 0.820 876 S CB 1.568 64.714 63.200 -0.089 0.000 1.137 876 S HN 0.576 nan 8.310 nan 0.000 0.470 877 G N 0.891 109.660 108.800 -0.051 0.000 2.690 877 G HA2 -0.006 3.954 3.960 0.000 0.000 0.686 877 G HA3 -0.006 3.954 3.960 0.000 0.000 0.686 877 G C -0.140 174.759 174.900 -0.002 0.000 1.277 877 G CA -0.257 44.826 45.100 -0.029 0.000 0.799 877 G HN 0.655 nan 8.290 nan 0.000 0.613 878 K N 0.515 120.925 120.400 0.017 0.000 2.296 878 K HA 0.154 4.474 4.320 0.000 0.000 0.200 878 K C 1.032 177.654 176.600 0.036 0.000 1.048 878 K CA 2.081 58.383 56.287 0.026 0.000 0.966 878 K CB -0.091 32.426 32.500 0.029 0.000 0.754 878 K HN 0.963 nan 8.250 nan 0.000 0.466 879 D N -3.372 117.055 120.400 0.045 0.000 2.792 879 D HA 0.088 4.728 4.640 0.000 0.000 0.335 879 D C 0.016 176.387 176.300 0.119 0.000 1.353 879 D CA -0.677 53.365 54.000 0.071 0.000 0.839 879 D CB -0.221 40.612 40.800 0.055 0.000 1.396 879 D HN -0.359 nan 8.370 nan 0.000 0.479 880 N N -0.727 118.068 118.700 0.159 0.000 2.453 880 N HA 0.013 4.754 4.740 0.000 0.000 0.183 880 N C 0.537 176.181 175.510 0.222 0.000 1.041 880 N CA 0.835 54.053 53.050 0.280 0.000 0.900 880 N CB -0.036 38.533 38.487 0.136 0.000 0.961 880 N HN 0.409 nan 8.380 nan 0.000 0.443 881 E N -0.100 120.149 120.200 0.081 0.000 2.415 881 E HA 0.031 4.381 4.350 0.000 0.000 0.197 881 E C -0.280 176.262 176.600 -0.098 0.000 1.007 881 E CA -0.088 56.300 56.400 -0.021 0.000 0.890 881 E CB 0.047 29.727 29.700 -0.034 0.000 0.891 881 E HN 0.193 nan 8.360 nan 0.000 0.496 882 D N -0.319 120.075 120.400 -0.010 0.000 2.487 882 D HA -0.130 4.510 4.640 0.000 0.000 0.243 882 D C 0.053 176.354 176.300 0.000 0.000 1.154 882 D CA 0.403 54.411 54.000 0.013 0.000 0.876 882 D CB 0.375 41.195 40.800 0.033 0.000 1.161 882 D HN 0.145 nan 8.370 nan 0.000 0.478 883 Y N 1.711 122.034 120.300 0.038 0.000 2.639 883 Y HA -0.109 4.441 4.550 0.000 0.000 0.297 883 Y C 1.783 177.684 175.900 0.002 0.000 1.151 883 Y CA 0.458 58.575 58.100 0.028 0.000 1.335 883 Y CB 0.299 38.771 38.460 0.020 0.000 0.994 883 Y HN 0.423 nan 8.280 nan 0.000 0.548 884 D N 0.021 120.490 120.400 0.116 0.000 2.277 884 D HA 0.036 4.676 4.640 0.000 0.000 0.208 884 D C 0.990 177.267 176.300 -0.040 0.000 0.962 884 D CA 0.448 54.475 54.000 0.046 0.000 0.865 884 D CB -0.210 40.609 40.800 0.030 0.000 0.939 884 D HN 0.160 nan 8.370 nan 0.000 0.510 885 A N 0.690 123.448 122.820 -0.103 0.000 2.546 885 A HA 0.440 4.760 4.320 0.000 0.000 0.243 885 A C 0.216 177.506 177.584 -0.491 0.000 1.063 885 A CA 0.303 52.125 52.037 -0.359 0.000 0.757 885 A CB 0.184 18.933 19.000 -0.417 0.000 0.991 885 A HN 0.145 nan 8.150 nan 0.000 0.503 886 A N 2.168 124.607 122.820 -0.636 0.000 2.414 886 A HA 0.767 5.087 4.320 0.000 0.000 0.306 886 A C -1.058 176.097 177.584 -0.715 0.000 1.054 886 A CA -0.492 51.273 52.037 -0.454 0.000 0.724 886 A CB 0.809 19.700 19.000 -0.183 0.000 1.267 886 A HN 0.738 nan 8.150 nan 0.000 0.418 887 F N 0.938 120.822 119.950 -0.110 0.000 2.382 887 F HA 0.430 4.957 4.527 0.000 0.000 0.361 887 F C 0.425 176.100 175.800 -0.209 0.000 1.109 887 F CA -0.543 57.353 58.000 -0.173 0.000 1.031 887 F CB 1.790 40.657 39.000 -0.222 0.000 1.234 887 F HN 0.643 nan 8.300 nan 0.000 0.445 888 E N 6.514 126.681 120.200 -0.054 0.000 2.220 888 E HA 0.159 4.509 4.350 0.000 0.000 0.272 888 E C -2.423 174.069 176.600 -0.179 0.000 1.099 888 E CA -2.062 54.271 56.400 -0.112 0.000 0.907 888 E CB 0.522 30.149 29.700 -0.121 0.000 1.022 888 E HN 0.128 nan 8.360 nan 0.000 0.428 889 P HA 0.068 nan 4.420 nan 0.000 0.280 889 P C -0.913 176.222 177.300 -0.275 0.000 1.244 889 P CA -0.290 62.652 63.100 -0.262 0.000 0.784 889 P CB 1.198 32.799 31.700 -0.164 0.000 0.913 893 V N 3.024 122.934 119.914 -0.007 0.000 2.482 893 V HA 0.829 4.949 4.120 0.000 0.000 0.295 893 V C -1.596 174.396 176.094 -0.170 0.000 1.026 893 V CA -0.520 61.668 62.300 -0.187 0.000 0.856 893 V CB 0.700 32.430 31.823 -0.155 0.000 1.001 893 V HN 0.460 nan 8.190 nan 0.000 0.424 894 F N 4.282 124.105 119.950 -0.212 0.000 2.576 894 F HA 0.786 5.313 4.527 0.000 0.000 0.313 894 F C -1.107 174.542 175.800 -0.250 0.000 1.078 894 F CA -1.417 56.466 58.000 -0.196 0.000 0.921 894 F CB 1.193 40.099 39.000 -0.157 0.000 1.232 894 F HN 0.363 nan 8.300 nan 0.000 0.459 895 F N 2.539 122.605 119.950 0.194 0.000 2.399 895 F HA 0.424 4.951 4.527 0.000 0.000 0.342 895 F C 1.108 177.059 175.800 0.252 0.000 1.106 895 F CA -0.182 57.887 58.000 0.116 0.000 1.196 895 F CB 1.089 40.052 39.000 -0.062 0.000 1.163 895 F HN 0.510 nan 8.300 nan 0.000 0.547 896 I N 0.254 121.069 120.570 0.409 0.000 2.685 896 I HA 0.060 4.230 4.170 0.000 0.000 0.251 896 I C 0.208 176.480 176.117 0.258 0.000 1.102 896 I CA 0.530 62.024 61.300 0.323 0.000 1.442 896 I CB 0.223 38.381 38.000 0.264 0.000 1.194 896 I HN 0.622 nan 8.210 nan 0.000 0.448 897 T N -1.252 113.466 114.554 0.275 0.000 2.942 897 T HA 0.296 4.646 4.350 0.000 0.000 0.327 897 T C -0.813 173.983 174.700 0.159 0.000 1.360 897 T CA -0.906 61.308 62.100 0.190 0.000 1.055 897 T CB 2.427 71.356 68.868 0.100 0.000 1.261 897 T HN -0.049 nan 8.240 nan 0.000 0.485 898 K N 1.919 122.320 120.400 0.002 0.000 2.258 898 K HA 0.514 4.834 4.320 0.000 0.000 0.284 898 K C 0.600 177.072 176.600 -0.214 0.000 1.051 898 K CA -0.717 55.353 56.287 -0.360 0.000 0.923 898 K CB 0.354 32.573 32.500 -0.468 0.000 1.046 898 K HN 0.744 nan 8.250 nan 0.000 0.474 899 I N 0.225 120.656 120.570 -0.231 0.000 4.327 899 I HA 0.370 4.540 4.170 0.000 0.000 0.331 899 I C 0.583 176.616 176.117 -0.140 0.000 1.348 899 I CA -0.641 60.578 61.300 -0.134 0.000 1.152 899 I CB 1.056 39.005 38.000 -0.085 0.000 1.151 899 I HN 0.462 nan 8.210 nan 0.000 0.410 900 G N 1.027 109.701 108.800 -0.209 0.000 2.667 900 G HA2 0.704 4.664 3.960 0.000 0.000 0.310 900 G HA3 0.704 4.664 3.960 0.000 0.000 0.310 900 G C -1.543 173.272 174.900 -0.143 0.000 1.259 900 G CA -0.311 44.707 45.100 -0.138 0.000 1.019 900 G HN 0.199 nan 8.290 nan 0.000 0.496 901 E N -0.469 119.693 120.200 -0.064 0.000 2.647 901 E HA 0.161 4.511 4.350 0.000 0.000 0.320 901 E C 0.071 176.668 176.600 -0.005 0.000 0.951 901 E CA -0.582 55.785 56.400 -0.054 0.000 0.809 901 E CB 0.297 29.964 29.700 -0.055 0.000 1.295 901 E HN 0.450 nan 8.360 nan 0.000 0.407 902 N N 3.607 122.313 118.700 0.009 0.000 2.666 902 N HA -0.217 4.523 4.740 0.000 0.000 0.248 902 N C -0.428 175.108 175.510 0.043 0.000 1.118 902 N CA 1.104 54.172 53.050 0.030 0.000 0.722 902 N CB -0.735 37.762 38.487 0.018 0.000 1.050 902 N HN 0.614 nan 8.380 nan 0.000 0.550 903 I N 1.239 121.848 120.570 0.065 0.000 2.741 903 I HA -0.128 4.042 4.170 0.000 0.000 0.288 903 I C 1.033 177.184 176.117 0.056 0.000 1.192 903 I CA 0.623 61.968 61.300 0.074 0.000 1.426 903 I CB 0.429 38.514 38.000 0.142 0.000 1.367 903 I HN -0.061 nan 8.210 nan 0.000 0.563 904 Q N 7.498 127.315 119.800 0.030 0.000 2.681 904 Q HA 0.347 4.687 4.340 0.000 0.000 0.222 904 Q C -0.480 175.518 176.000 -0.003 0.000 1.258 904 Q CA -0.228 55.586 55.803 0.018 0.000 1.014 904 Q CB 0.521 29.264 28.738 0.008 0.000 1.384 904 Q HN 0.582 nan 8.270 nan 0.000 0.570 905 L N 2.180 123.398 121.223 -0.009 0.000 2.410 905 L HA 0.149 4.489 4.340 0.000 0.000 0.273 905 L C 0.682 177.544 176.870 -0.014 0.000 1.144 905 L CA 0.435 55.238 54.840 -0.061 0.000 0.863 905 L CB 0.332 42.305 42.059 -0.143 0.000 1.140 905 L HN 0.087 nan 8.230 nan 0.000 0.463 906 K N 3.355 123.733 120.400 -0.035 0.000 2.207 906 K HA 0.256 4.576 4.320 0.000 0.000 0.255 906 K C -0.345 176.245 176.600 -0.017 0.000 0.941 906 K CA -0.899 55.377 56.287 -0.019 0.000 0.825 906 K CB 2.105 34.592 32.500 -0.022 0.000 1.119 906 K HN 0.508 nan 8.250 nan 0.000 0.430 907 E N 1.018 121.221 120.200 0.005 0.000 2.739 907 E HA -0.067 4.283 4.350 0.000 0.000 0.278 907 E C 0.468 177.082 176.600 0.024 0.000 0.978 907 E CA 1.424 57.842 56.400 0.029 0.000 0.978 907 E CB 0.225 29.944 29.700 0.032 0.000 0.982 907 E HN 0.739 nan 8.360 nan 0.000 0.469 908 G N 2.939 111.779 108.800 0.066 0.000 2.632 908 G HA2 -0.269 3.691 3.960 0.000 0.000 0.224 908 G HA3 -0.269 3.691 3.960 0.000 0.000 0.224 908 G C -0.722 174.148 174.900 -0.051 0.000 1.341 908 G CA -0.073 45.081 45.100 0.091 0.000 0.880 908 G HN 0.705 nan 8.290 nan 0.000 0.566 909 E N 0.681 120.872 120.200 -0.015 0.000 2.404 909 E HA 0.371 4.721 4.350 0.000 0.000 0.261 909 E C 0.371 176.916 176.600 -0.091 0.000 1.074 909 E CA 0.121 56.475 56.400 -0.075 0.000 0.917 909 E CB 0.412 30.106 29.700 -0.010 0.000 0.965 909 E HN 0.503 nan 8.360 nan 0.000 0.433 910 N N -0.059 118.571 118.700 -0.118 0.000 2.732 910 N HA 0.357 5.097 4.740 0.000 0.000 0.259 910 N C -1.390 174.072 175.510 -0.080 0.000 1.402 910 N CA -0.571 52.415 53.050 -0.107 0.000 0.829 910 N CB 2.401 40.788 38.487 -0.167 0.000 1.495 910 N HN 0.223 nan 8.380 nan 0.000 0.511 911 T N 0.763 115.285 114.554 -0.052 0.000 2.921 911 T HA 0.421 4.771 4.350 0.000 0.000 0.297 911 T C -1.055 173.649 174.700 0.005 0.000 1.013 911 T CA -0.375 61.714 62.100 -0.018 0.000 0.990 911 T CB 1.790 70.653 68.868 -0.009 0.000 1.023 911 T HN 0.142 nan 8.240 nan 0.000 0.447 912 V N 4.492 124.434 119.914 0.046 0.000 2.419 912 V HA 0.411 4.531 4.120 0.000 0.000 0.287 912 V C -0.324 175.816 176.094 0.076 0.000 1.017 912 V CA -0.886 61.467 62.300 0.088 0.000 0.844 912 V CB 1.584 33.533 31.823 0.209 0.000 1.011 912 V HN 0.686 nan 8.190 nan 0.000 0.429 913 K N 3.521 123.949 120.400 0.046 0.000 2.156 913 K HA 0.866 5.186 4.320 0.000 0.000 0.271 913 K C -1.117 175.499 176.600 0.026 0.000 0.995 913 K CA -0.546 55.759 56.287 0.030 0.000 0.890 913 K CB 2.494 35.005 32.500 0.018 0.000 1.073 913 K HN 0.400 nan 8.250 nan 0.000 0.454 914 V N 1.943 121.866 119.914 0.015 0.000 3.147 914 V HA 0.269 4.389 4.120 0.000 0.000 0.299 914 V C -0.926 175.165 176.094 -0.005 0.000 1.302 914 V CA -1.066 61.236 62.300 0.003 0.000 1.015 914 V CB 2.515 34.336 31.823 -0.003 0.000 1.086 914 V HN 0.790 nan 8.190 nan 0.000 0.437 915 R N 2.428 122.922 120.500 -0.009 0.000 2.410 915 R HA 0.837 5.177 4.340 0.000 0.000 0.288 915 R C -0.492 175.799 176.300 -0.014 0.000 1.051 915 R CA 0.535 56.630 56.100 -0.009 0.000 1.021 915 R CB 1.458 31.754 30.300 -0.007 0.000 1.032 915 R HN 1.129 nan 8.270 nan 0.000 0.481 916 A N 2.799 125.612 122.820 -0.011 0.000 2.606 916 A HA 0.543 4.863 4.320 0.000 0.000 0.293 916 A C -1.577 176.006 177.584 -0.001 0.000 1.082 916 A CA -0.722 51.309 52.037 -0.010 0.000 0.685 916 A CB 1.880 20.871 19.000 -0.016 0.000 1.284 916 A HN 0.797 nan 8.150 nan 0.000 0.408 917 E N 0.386 120.590 120.200 0.007 0.000 2.343 917 E HA 0.503 4.853 4.350 0.000 0.000 0.278 917 E C -2.232 174.384 176.600 0.027 0.000 0.910 917 E CA -0.666 55.743 56.400 0.014 0.000 0.757 917 E CB 1.896 31.604 29.700 0.013 0.000 1.218 917 E HN 0.564 nan 8.360 nan 0.000 0.435 918 L N 5.533 126.775 121.223 0.031 0.000 2.262 918 L HA 0.461 4.801 4.340 0.000 0.000 0.288 918 L C -2.507 174.394 176.870 0.051 0.000 1.035 918 L CA -1.781 53.088 54.840 0.048 0.000 0.820 918 L CB 1.127 43.213 42.059 0.045 0.000 1.204 918 L HN 0.445 nan 8.230 nan 0.000 0.424 919 P HA -0.127 nan 4.420 nan 0.000 0.269 919 P C -0.969 176.363 177.300 0.053 0.000 1.185 919 P CA 0.213 63.345 63.100 0.054 0.000 0.769 919 P CB 0.400 32.137 31.700 0.062 0.000 0.809 920 E N 1.505 121.730 120.200 0.041 0.000 2.180 920 E HA 0.381 4.731 4.350 0.000 0.000 0.283 920 E C 1.228 177.854 176.600 0.044 0.000 1.061 920 E CA 0.877 57.300 56.400 0.038 0.000 0.861 920 E CB -0.724 28.992 29.700 0.027 0.000 1.056 920 E HN 0.626 nan 8.360 nan 0.000 0.407 921 G N 2.977 111.810 108.800 0.055 0.000 2.279 921 G HA2 -0.354 3.606 3.960 0.000 0.000 0.223 921 G HA3 -0.354 3.606 3.960 0.000 0.000 0.223 921 G C 1.164 176.118 174.900 0.091 0.000 1.015 921 G CA 0.551 45.687 45.100 0.061 0.000 0.621 921 G HN 1.081 nan 8.290 nan 0.000 0.506 922 V N -0.095 119.884 119.914 0.107 0.000 2.313 922 V HA -0.254 3.866 4.120 0.000 0.000 0.253 922 V C 2.527 178.784 176.094 0.273 0.000 1.070 922 V CA 2.321 64.716 62.300 0.159 0.000 1.057 922 V CB -0.791 31.148 31.823 0.195 0.000 0.653 922 V HN 0.425 nan 8.190 nan 0.000 0.450 923 I N 0.831 121.567 120.570 0.277 0.000 2.235 923 I HA -0.078 4.092 4.170 0.000 0.000 0.241 923 I C 2.772 179.098 176.117 0.349 0.000 1.085 923 I CA 1.865 63.409 61.300 0.408 0.000 1.378 923 I CB -1.536 36.627 38.000 0.271 0.000 1.076 923 I HN 0.347 nan 8.210 nan 0.000 0.415 924 S N 0.534 116.352 115.700 0.198 0.000 2.419 924 S HA -0.154 4.316 4.470 0.000 0.000 0.233 924 S C 2.220 176.872 174.600 0.086 0.000 1.016 924 S CA 1.454 59.732 58.200 0.129 0.000 0.974 924 S CB -0.230 63.018 63.200 0.079 0.000 0.786 924 S HN 0.427 nan 8.310 nan 0.000 0.492 925 S N 0.244 116.001 115.700 0.095 0.000 2.343 925 S HA -0.145 4.325 4.470 0.000 0.000 0.219 925 S C 1.699 176.304 174.600 0.009 0.000 1.033 925 S CA 1.119 59.343 58.200 0.040 0.000 1.014 925 S CB -0.504 62.718 63.200 0.038 0.000 0.915 925 S HN 0.592 nan 8.310 nan 0.000 0.435 926 Y N 2.215 122.458 120.300 -0.095 0.000 2.145 926 Y HA -0.085 4.465 4.550 0.000 0.000 0.286 926 Y C 2.346 178.081 175.900 -0.275 0.000 1.145 926 Y CA 2.294 60.244 58.100 -0.250 0.000 1.148 926 Y CB -0.625 37.610 38.460 -0.375 0.000 0.981 926 Y HN 0.292 nan 8.280 nan 0.000 0.507 927 K N -0.065 120.250 120.400 -0.142 0.000 2.286 927 K HA -0.197 4.123 4.320 0.000 0.000 0.203 927 K C 1.352 177.846 176.600 -0.177 0.000 1.045 927 K CA 1.979 58.196 56.287 -0.116 0.000 0.935 927 K CB -0.183 32.395 32.500 0.130 0.000 0.737 927 K HN 0.311 nan 8.250 nan 0.000 0.460 928 D N 0.037 120.338 120.400 -0.164 0.000 2.240 928 D HA -0.090 4.550 4.640 0.000 0.000 0.206 928 D C 1.522 177.691 176.300 -0.218 0.000 0.963 928 D CA 0.644 54.557 54.000 -0.145 0.000 0.863 928 D CB 0.189 40.937 40.800 -0.088 0.000 0.973 928 D HN 0.399 nan 8.370 nan 0.000 0.501 929 E N 0.499 120.506 120.200 -0.323 0.000 2.152 929 E HA -0.066 4.284 4.350 0.000 0.000 0.192 929 E C 2.217 178.537 176.600 -0.467 0.000 0.983 929 E CA 0.230 56.409 56.400 -0.370 0.000 0.818 929 E CB 0.177 29.633 29.700 -0.408 0.000 0.758 929 E HN 0.206 nan 8.360 nan 0.000 0.467 930 L N 0.655 121.521 121.223 -0.596 0.000 2.005 930 L HA -0.194 4.146 4.340 0.000 0.000 0.207 930 L C 2.781 179.476 176.870 -0.291 0.000 1.072 930 L CA 0.952 55.482 54.840 -0.516 0.000 0.744 930 L CB -0.535 41.167 42.059 -0.596 0.000 0.895 930 L HN 0.152 nan 8.230 nan 0.000 0.433 931 Q N 0.018 119.691 119.800 -0.211 0.000 2.197 931 Q HA -0.261 4.079 4.340 0.000 0.000 0.207 931 Q C 2.236 178.167 176.000 -0.116 0.000 0.984 931 Q CA 1.570 57.308 55.803 -0.109 0.000 0.869 931 Q CB -0.286 28.401 28.738 -0.085 0.000 0.906 931 Q HN 0.426 nan 8.270 nan 0.000 0.426 932 R N 0.359 120.755 120.500 -0.174 0.000 2.119 932 R HA -0.048 4.292 4.340 0.000 0.000 0.222 932 R C 1.853 178.032 176.300 -0.201 0.000 1.088 932 R CA 0.947 56.953 56.100 -0.158 0.000 0.984 932 R CB 0.222 30.427 30.300 -0.159 0.000 0.884 932 R HN 0.058 nan 8.270 nan 0.000 0.447 933 K N -1.009 119.186 120.400 -0.342 0.000 2.137 933 K HA -0.059 4.261 4.320 0.000 0.000 0.202 933 K C 0.994 177.298 176.600 -0.493 0.000 1.052 933 K CA 1.154 57.121 56.287 -0.532 0.000 0.961 933 K CB 0.236 32.180 32.500 -0.927 0.000 0.741 933 K HN 0.290 nan 8.250 nan 0.000 0.452 934 Y N -0.155 120.120 120.300 -0.042 0.000 2.481 934 Y HA 0.185 4.735 4.550 0.000 0.000 0.247 934 Y C 1.300 177.198 175.900 -0.003 0.000 1.151 934 Y CA -0.417 57.680 58.100 -0.006 0.000 1.238 934 Y CB 0.847 39.323 38.460 0.026 0.000 1.179 934 Y HN 0.152 nan 8.280 nan 0.000 0.524 935 G N 2.201 111.057 108.800 0.094 0.000 2.602 935 G HA2 -0.455 3.505 3.960 0.000 0.000 0.306 935 G HA3 -0.455 3.505 3.960 0.000 0.000 0.306 935 G C 0.715 175.662 174.900 0.079 0.000 1.301 935 G CA 0.797 45.935 45.100 0.062 0.000 0.974 935 G HN 0.488 nan 8.290 nan 0.000 0.547 936 D N 0.441 120.880 120.400 0.065 0.000 2.392 936 D HA -0.025 4.615 4.640 0.000 0.000 0.228 936 D C 1.778 178.128 176.300 0.083 0.000 1.003 936 D CA 1.387 55.424 54.000 0.062 0.000 0.917 936 D CB -0.232 40.598 40.800 0.050 0.000 0.890 936 D HN 0.664 nan 8.370 nan 0.000 0.532 937 K N -0.498 119.965 120.400 0.105 0.000 2.486 937 K HA 0.068 4.388 4.320 0.000 0.000 0.194 937 K C 0.715 177.372 176.600 0.095 0.000 1.033 937 K CA -0.284 56.067 56.287 0.106 0.000 1.004 937 K CB 0.183 32.737 32.500 0.089 0.000 0.798 937 K HN 0.173 nan 8.250 nan 0.000 0.495 938 L N 0.893 122.180 121.223 0.107 0.000 2.399 938 L HA 0.345 4.685 4.340 0.000 0.000 0.266 938 L C -0.658 176.248 176.870 0.061 0.000 1.114 938 L CA -0.024 54.882 54.840 0.109 0.000 0.804 938 L CB 0.744 42.884 42.059 0.135 0.000 1.146 938 L HN -0.025 nan 8.230 nan 0.000 0.451 939 I N 5.698 126.312 120.570 0.073 0.000 2.608 939 I HA 0.201 4.371 4.170 0.000 0.000 0.280 939 I C -0.969 175.195 176.117 0.078 0.000 1.186 939 I CA -0.441 60.865 61.300 0.011 0.000 1.081 939 I CB 1.327 39.257 38.000 -0.117 0.000 1.272 939 I HN 0.409 nan 8.210 nan 0.000 0.460 940 I N 5.569 126.193 120.570 0.092 0.000 2.533 940 I HA 0.155 4.325 4.170 0.000 0.000 0.284 940 I C 1.307 177.475 176.117 0.085 0.000 1.109 940 I CA 0.177 61.564 61.300 0.145 0.000 1.412 940 I CB 0.624 38.696 38.000 0.119 0.000 1.396 940 I HN 0.621 nan 8.210 nan 0.000 0.543 941 R N 3.969 124.530 120.500 0.102 0.000 2.279 941 R HA 0.319 4.659 4.340 0.000 0.000 0.195 941 R C 0.624 176.953 176.300 0.048 0.000 0.905 941 R CA 0.062 56.199 56.100 0.061 0.000 1.044 941 R CB 0.740 31.080 30.300 0.067 0.000 1.056 941 R HN 0.803 nan 8.270 nan 0.000 0.535 942 G N 1.137 109.965 108.800 0.046 0.000 2.524 942 G HA2 0.379 4.339 3.960 0.000 0.000 0.306 942 G HA3 0.379 4.339 3.960 0.000 0.000 0.306 942 G C -1.137 173.695 174.900 -0.113 0.000 1.420 942 G CA -0.694 44.389 45.100 -0.028 0.000 1.086 942 G HN -0.039 nan 8.290 nan 0.000 0.591 943 I N 1.877 122.312 120.570 -0.225 0.000 2.378 943 I HA 0.540 4.710 4.170 0.000 0.000 0.291 943 I C 0.219 176.108 176.117 -0.380 0.000 0.992 943 I CA -0.767 60.228 61.300 -0.508 0.000 1.154 943 I CB 2.013 39.644 38.000 -0.615 0.000 1.315 943 I HN 0.222 nan 8.210 nan 0.000 0.448 944 R N 4.751 125.002 120.500 -0.414 0.000 2.599 944 R HA 0.722 5.062 4.340 0.000 0.000 0.295 944 R C -1.337 174.794 176.300 -0.283 0.000 0.963 944 R CA -0.850 55.080 56.100 -0.283 0.000 0.883 944 R CB 2.890 33.054 30.300 -0.227 0.000 1.171 944 R HN 0.335 nan 8.270 nan 0.000 0.450 945 V N 3.840 123.637 119.914 -0.196 0.000 2.385 945 V HA 0.216 4.336 4.120 0.000 0.000 0.277 945 V C -0.515 175.513 176.094 -0.111 0.000 1.012 945 V CA -0.597 61.614 62.300 -0.148 0.000 0.832 945 V CB 1.199 32.963 31.823 -0.100 0.000 1.028 945 V HN 0.814 nan 8.190 nan 0.000 0.436 946 E N 6.083 126.216 120.200 -0.111 0.000 2.359 946 E HA 0.671 5.021 4.350 0.000 0.000 0.266 946 E C -3.001 173.566 176.600 -0.055 0.000 0.920 946 E CA -2.587 53.763 56.400 -0.082 0.000 0.788 946 E CB 2.884 32.529 29.700 -0.091 0.000 1.279 946 E HN 0.321 nan 8.360 nan 0.000 0.438 947 P HA 0.190 nan 4.420 nan 0.000 0.297 947 P C -0.731 176.514 177.300 -0.092 0.000 1.319 947 P CA -0.528 62.519 63.100 -0.088 0.000 0.810 947 P CB 1.191 32.818 31.700 -0.122 0.000 0.947 948 V N 3.900 123.776 119.914 -0.064 0.000 2.577 948 V HA 0.385 4.505 4.120 0.000 0.000 0.303 948 V C -0.241 175.841 176.094 -0.019 0.000 1.042 948 V CA -0.619 61.702 62.300 0.035 0.000 0.872 948 V CB 1.297 33.249 31.823 0.215 0.000 0.998 948 V HN 0.299 nan 8.190 nan 0.000 0.423 949 F N 4.818 124.843 119.950 0.125 0.000 2.424 949 F HA 0.538 5.065 4.527 0.000 0.000 0.356 949 F C 0.238 176.092 175.800 0.090 0.000 1.110 949 F CA -0.485 57.570 58.000 0.092 0.000 1.161 949 F CB 0.934 39.934 39.000 0.001 0.000 1.115 949 F HN 0.220 nan 8.300 nan 0.000 0.507 950 I N 3.666 124.399 120.570 0.273 0.000 2.339 950 I HA 0.620 4.790 4.170 0.000 0.000 0.290 950 I C 0.168 176.383 176.117 0.163 0.000 0.994 950 I CA -0.593 60.816 61.300 0.182 0.000 1.191 950 I CB 0.682 38.738 38.000 0.094 0.000 1.343 950 I HN 0.651 nan 8.210 nan 0.000 0.458 951 A N 6.343 129.238 122.820 0.125 0.000 2.483 951 A HA 0.686 5.006 4.320 0.000 0.000 0.286 951 A C -0.438 177.239 177.584 0.156 0.000 1.207 951 A CA -0.647 51.487 52.037 0.162 0.000 0.764 951 A CB 1.474 20.622 19.000 0.246 0.000 1.341 951 A HN 0.578 nan 8.150 nan 0.000 0.428 952 E N 1.151 121.452 120.200 0.169 0.000 2.229 952 E HA 0.313 4.663 4.350 0.000 0.000 0.283 952 E C -0.768 175.915 176.600 0.139 0.000 1.030 952 E CA -0.053 56.419 56.400 0.120 0.000 0.836 952 E CB 0.934 30.690 29.700 0.094 0.000 1.068 952 E HN 0.525 nan 8.360 nan 0.000 0.401 953 K N 1.689 122.107 120.400 0.030 0.000 2.375 953 K HA 0.470 4.790 4.320 0.000 0.000 0.249 953 K C -0.472 175.955 176.600 -0.287 0.000 0.942 953 K CA -0.872 55.385 56.287 -0.050 0.000 0.806 953 K CB 1.918 34.347 32.500 -0.118 0.000 1.227 953 K HN 0.184 nan 8.250 nan 0.000 0.430 954 E N 1.769 121.855 120.200 -0.191 0.000 2.289 954 E HA 0.135 4.485 4.350 0.000 0.000 0.278 954 E C -1.202 175.265 176.600 -0.222 0.000 1.032 954 E CA -0.399 55.911 56.400 -0.151 0.000 0.854 954 E CB 0.591 30.270 29.700 -0.036 0.000 1.046 954 E HN 0.398 nan 8.360 nan 0.000 0.409 955 Y N 2.030 122.361 120.300 0.052 0.000 2.341 955 Y HA 0.218 4.768 4.550 0.000 0.000 0.338 955 Y C 0.090 176.000 175.900 0.018 0.000 0.965 955 Y CA -1.159 56.977 58.100 0.059 0.000 1.108 955 Y CB 1.111 39.656 38.460 0.141 0.000 1.180 955 Y HN 0.458 nan 8.280 nan 0.000 0.458 959 E N 3.101 123.419 120.200 0.197 0.000 2.191 959 E HA 0.684 5.034 4.350 0.000 0.000 0.263 959 E C -1.058 175.681 176.600 0.231 0.000 0.881 959 E CA -0.779 55.761 56.400 0.234 0.000 0.757 959 E CB 1.802 31.606 29.700 0.172 0.000 1.147 959 E HN 0.736 nan 8.360 nan 0.000 0.414 960 V N 1.075 121.171 119.914 0.305 0.000 3.267 960 V HA 0.734 4.854 4.120 0.000 0.000 0.317 960 V C -0.269 175.996 176.094 0.285 0.000 1.131 960 V CA -0.572 61.889 62.300 0.269 0.000 1.031 960 V CB 1.758 33.746 31.823 0.275 0.000 1.159 960 V HN 0.570 nan 8.190 nan 0.000 0.454 961 S N 0.474 116.325 115.700 0.251 0.000 2.532 961 S HA 0.825 5.295 4.470 0.000 0.000 0.301 961 S C -0.004 174.767 174.600 0.285 0.000 1.083 961 S CA -0.107 58.235 58.200 0.237 0.000 1.025 961 S CB 1.463 64.760 63.200 0.161 0.000 1.056 961 S HN 1.471 nan 8.310 nan 0.000 0.494 962 A N 1.955 124.962 122.820 0.312 0.000 2.477 962 A HA 0.593 4.913 4.320 0.000 0.000 0.246 962 A C 0.432 178.139 177.584 0.205 0.000 1.078 962 A CA -0.104 52.144 52.037 0.351 0.000 0.770 962 A CB 0.234 19.419 19.000 0.310 0.000 1.011 962 A HN 0.619 nan 8.150 nan 0.000 0.494 963 S N 0.214 116.022 115.700 0.179 0.000 2.715 963 S HA 0.772 5.242 4.470 0.000 0.000 0.307 963 S C 0.411 175.080 174.600 0.115 0.000 1.119 963 S CA -0.006 58.271 58.200 0.129 0.000 0.937 963 S CB 1.353 64.620 63.200 0.112 0.000 1.150 963 S HN 1.569 nan 8.310 nan 0.000 0.521 964 A N 0.000 122.874 122.820 0.091 0.000 2.254 964 A HA 0.000 4.320 4.320 0.000 0.000 0.244 964 A CA 0.000 52.083 52.037 0.077 0.000 0.836 964 A CB 0.000 19.037 19.000 0.061 0.000 0.831 964 A HN 0.000 nan 8.150 nan 0.000 0.486