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 1i50_1_B DATA FIRST_RESID 18 DATA SEQUENCE FEDESAPITA EDSWAVISAF FREKGLVSQQ LDSFNQFVDY TLQDIICEDS DATA SEQUENCE TLIXXXXXXX XXXXXXXXXX XEISFGKIYV TKPMVNESDG VTHALYPQEA DATA SEQUENCE RLRNLTYSSG LFVDVKKRTY EXXXXXXXXX XXXXXXXXXX XXXXXXKVFI DATA SEQUENCE GRLPIMLRSK NCYLSEATES DLYKLKECPF DMGGYFIING SEKVLIAQER DATA SEQUENCE SAGNIVQVFK KAAPSPISHV AEIRSALEKG SRFISTLQVK LYGREGSSAR DATA SEQUENCE TIKATLPYIK QDIPIVIIFR ALGIIPDGEI LEHICYDVND WQMLEMLKPC DATA SEQUENCE VEDGFVIQDR ETALDFIGRR GTALGIKKEK RIQYAKDILQ KEFLPHITQL DATA SEQUENCE EGFESRKAFF LGYMINRLLL CALDRKDQDD RDHFGKKRLD LAGPLLAQLF DATA SEQUENCE KTLFKKLTKD IFRYMQRTVE XXXXXXXXLA INAKTITSGL KYALATGNWG DATA SEQUENCE XXXXXXXXXA GVSQVLNRYT YSSTLSHLRR TNTPIXXXXX XAKPRQLHNT DATA SEQUENCE HWGLVCPAET PEGQACGLVK NLSLMSCISV GTDPMPIITF LSEWGMEPLE DATA SEQUENCE DYVPHQSPDA TRVFVNGVWH GVHRNPARLM ETLRTLRRKG DINPEVSMIR DATA SEQUENCE DIREKELKIF TDAGRVYRPL FIVEDDESLG HKELKVRKGH IAKLMATEYQ DATA SEQUENCE DXXXXXXXXX EYTWSSLLNE GLVEYIDAEE EESILIAMQP EDLEPXXXXX DATA SEQUENCE XXXXDVDPAK RIRVSHHATT FTHCEIHPSM ILGVAASIIP FPDHNQSPRN DATA SEQUENCE TYQSAMGKQA MGVFLTNYNV RMDTMANILY YPQKPLGTTR AMEYLKFREL DATA SEQUENCE PAGQNAIVAI ACYSGYNQED SMIMNQSSID RGLFRSLFFR SYMDQEKKYG DATA SEQUENCE MSITETFEKP QRTNTLRMKH GTYDKLDDDG LIAPGVRVSG EDVIIGKTTP DATA SEQUENCE ISXXXXXXXX XXXXXSKRDA STPLRSTENG IVDQVLVTTN QDGLKFVKVR DATA SEQUENCE VRTTKIPQIG DKFASRHGQK GTIGITYRRE DMPFTAEGIV PDLIINPHAI DATA SEQUENCE PSRMTVAHLI ECLLSKVAAL SGNEGDASPF TDITVEGISK LLREHGYQSR DATA SEQUENCE GFEVMYNGHT GKKLMAQIFF GPTYYQRLRH MVDDKIHARA RGPXXXXXXX DATA SEQUENCE XXXXXXXXXG LRFGEMERDC MIAHGAASFL KERLMEASDA FRVHICGICG DATA SEQUENCE LMTVIAKLNH NQFECKGCDN KIDIYQIHIP YAAKLLFQEL MAMNITPRLY DATA SEQUENCE TDRSRDF 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 18 F HA 0.000 nan 4.527 nan 0.000 0.279 18 F C 0.000 175.788 175.800 -0.020 0.000 0.967 18 F CA 0.000 57.990 58.000 -0.017 0.000 1.383 18 F CB 0.000 38.990 39.000 -0.017 0.000 1.145 19 E N 0.299 120.594 120.200 0.159 0.000 2.372 19 E HA -0.179 4.171 4.350 -0.000 0.000 0.254 19 E C -1.062 175.557 176.600 0.030 0.000 1.102 19 E CA 0.638 57.063 56.400 0.041 0.000 0.740 19 E CB -1.153 28.518 29.700 -0.050 0.000 1.292 19 E HN 0.770 nan 8.360 nan 0.000 0.394 20 D N 1.817 122.262 120.400 0.075 0.000 2.660 20 D HA -0.114 4.526 4.640 -0.000 0.000 0.253 20 D C 1.417 177.714 176.300 -0.004 0.000 1.256 20 D CA 1.016 55.047 54.000 0.052 0.000 0.914 20 D CB 0.458 41.286 40.800 0.047 0.000 1.137 20 D HN 0.392 nan 8.370 nan 0.000 0.542 21 E N 0.355 120.532 120.200 -0.039 0.000 2.501 21 E HA -0.136 4.214 4.350 -0.000 0.000 0.203 21 E C 0.504 177.045 176.600 -0.098 0.000 1.072 21 E CA 0.416 56.759 56.400 -0.096 0.000 0.885 21 E CB 0.044 29.655 29.700 -0.148 0.000 0.813 21 E HN 0.108 nan 8.360 nan 0.000 0.556 22 S N -0.085 115.588 115.700 -0.046 0.000 2.629 22 S HA 0.319 4.788 4.470 -0.000 0.000 0.236 22 S C 0.346 174.943 174.600 -0.006 0.000 1.010 22 S CA -0.139 58.044 58.200 -0.028 0.000 0.981 22 S CB 0.817 64.008 63.200 -0.016 0.000 0.919 22 S HN 0.443 nan 8.310 nan 0.000 0.514 23 A N 3.197 126.014 122.820 -0.005 0.000 2.440 23 A HA 0.509 4.829 4.320 -0.000 0.000 0.251 23 A C -2.517 175.069 177.584 0.003 0.000 1.089 23 A CA -1.097 50.944 52.037 0.005 0.000 0.779 23 A CB -0.252 18.753 19.000 0.010 0.000 1.022 23 A HN 0.121 nan 8.150 nan 0.000 0.492 24 P HA 0.071 nan 4.420 nan 0.000 0.267 24 P C -0.321 176.967 177.300 -0.021 0.000 1.201 24 P CA 0.308 63.400 63.100 -0.013 0.000 0.775 24 P CB 0.370 32.069 31.700 -0.001 0.000 0.854 25 I N 0.818 121.353 120.570 -0.058 0.000 2.612 25 I HA 0.229 4.399 4.170 -0.000 0.000 0.295 25 I C 0.999 177.098 176.117 -0.030 0.000 1.011 25 I CA -0.026 61.242 61.300 -0.054 0.000 1.326 25 I CB 1.209 39.124 38.000 -0.142 0.000 1.427 25 I HN 0.393 nan 8.210 nan 0.000 0.537 26 T N 1.407 115.971 114.554 0.018 0.000 2.950 26 T HA 0.494 4.844 4.350 -0.000 0.000 0.288 26 T C 0.914 175.667 174.700 0.089 0.000 1.035 26 T CA -0.327 61.801 62.100 0.047 0.000 1.028 26 T CB 1.763 70.671 68.868 0.066 0.000 1.109 26 T HN 0.617 nan 8.240 nan 0.000 0.514 27 A N 0.384 123.271 122.820 0.111 0.000 1.997 27 A HA -0.149 4.171 4.320 -0.000 0.000 0.221 27 A C 2.145 179.875 177.584 0.245 0.000 1.172 27 A CA 2.325 54.465 52.037 0.173 0.000 0.645 27 A CB -1.132 17.978 19.000 0.184 0.000 0.813 27 A HN 0.979 nan 8.150 nan 0.000 0.454 28 E N 0.618 120.958 120.200 0.233 0.000 2.208 28 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 28 E C 1.069 177.847 176.600 0.296 0.000 0.988 28 E CA 1.325 57.906 56.400 0.302 0.000 0.828 28 E CB -0.335 29.498 29.700 0.221 0.000 0.763 28 E HN 0.544 nan 8.360 nan 0.000 0.478 29 D N -0.217 120.305 120.400 0.204 0.000 2.350 29 D HA -0.050 4.590 4.640 -0.000 0.000 0.216 29 D C 1.519 177.940 176.300 0.202 0.000 0.968 29 D CA 0.681 54.793 54.000 0.186 0.000 0.894 29 D CB 0.077 40.950 40.800 0.122 0.000 0.909 29 D HN 0.155 nan 8.370 nan 0.000 0.520 30 S N 0.192 115.988 115.700 0.160 0.000 2.368 30 S HA -0.173 4.296 4.470 -0.000 0.000 0.225 30 S C 1.656 176.201 174.600 -0.092 0.000 1.030 30 S CA 0.749 58.979 58.200 0.049 0.000 0.999 30 S CB -0.502 62.627 63.200 -0.118 0.000 0.844 30 S HN 0.460 nan 8.310 nan 0.000 0.459 31 W N 1.946 123.350 121.300 0.174 0.000 2.421 31 W HA 0.042 4.702 4.660 -0.000 0.000 0.270 31 W C 2.605 179.260 176.519 0.227 0.000 1.233 31 W CA 0.478 57.930 57.345 0.178 0.000 1.226 31 W CB -0.486 29.069 29.460 0.157 0.000 1.121 31 W HN 0.308 nan 8.180 nan 0.000 0.579 32 A N -0.112 122.923 122.820 0.358 0.000 1.898 32 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 32 A C 1.983 179.744 177.584 0.295 0.000 1.181 32 A CA 1.855 54.080 52.037 0.314 0.000 0.620 32 A CB -0.953 18.203 19.000 0.260 0.000 0.819 32 A HN 0.093 nan 8.150 nan 0.000 0.442 33 V N 0.056 120.130 119.914 0.266 0.000 2.667 33 V HA -0.187 3.933 4.120 -0.000 0.000 0.252 33 V C 2.281 178.519 176.094 0.240 0.000 1.065 33 V CA 1.637 64.108 62.300 0.283 0.000 1.083 33 V CB -0.586 31.425 31.823 0.314 0.000 0.692 33 V HN 0.544 nan 8.190 nan 0.000 0.468 34 I N -0.452 120.186 120.570 0.113 0.000 2.333 34 I HA -0.128 4.042 4.170 -0.000 0.000 0.246 34 I C 2.511 178.696 176.117 0.113 0.000 1.106 34 I CA 1.021 62.293 61.300 -0.046 0.000 1.411 34 I CB -0.252 37.642 38.000 -0.177 0.000 1.082 34 I HN 0.217 nan 8.210 nan 0.000 0.420 35 S N 0.952 116.889 115.700 0.394 0.000 2.382 35 S HA -0.163 4.307 4.470 -0.000 0.000 0.228 35 S C 2.223 177.059 174.600 0.393 0.000 1.027 35 S CA 1.356 59.920 58.200 0.608 0.000 0.991 35 S CB -0.277 63.258 63.200 0.559 0.000 0.823 35 S HN 0.531 nan 8.310 nan 0.000 0.469 36 A N 0.638 123.650 122.820 0.320 0.000 1.930 36 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 36 A C 1.854 179.585 177.584 0.245 0.000 1.175 36 A CA 1.203 53.417 52.037 0.296 0.000 0.627 36 A CB -0.739 18.460 19.000 0.331 0.000 0.815 36 A HN 0.517 nan 8.150 nan 0.000 0.443 37 F N -0.410 119.498 119.950 -0.070 0.000 2.075 37 F HA -0.112 4.415 4.527 -0.000 0.000 0.297 37 F C 1.857 177.343 175.800 -0.522 0.000 1.113 37 F CA 1.730 59.349 58.000 -0.637 0.000 1.218 37 F CB -0.360 37.940 39.000 -1.167 0.000 0.984 37 F HN 0.219 nan 8.300 nan 0.000 0.472 38 F N 0.187 120.098 119.950 -0.066 0.000 2.407 38 F HA -0.011 4.516 4.527 -0.000 0.000 0.299 38 F C 2.372 178.155 175.800 -0.029 0.000 1.097 38 F CA 0.505 58.457 58.000 -0.079 0.000 1.422 38 F CB -0.347 38.711 39.000 0.097 0.000 1.067 38 F HN -0.170 nan 8.300 nan 0.000 0.539 39 R N 0.227 120.838 120.500 0.185 0.000 2.092 39 R HA -0.180 4.160 4.340 -0.000 0.000 0.231 39 R C 2.023 178.349 176.300 0.043 0.000 1.119 39 R CA 1.616 57.800 56.100 0.139 0.000 0.970 39 R CB -0.309 30.083 30.300 0.153 0.000 0.864 39 R HN 0.371 nan 8.270 nan 0.000 0.440 40 E N 0.575 120.750 120.200 -0.042 0.000 2.250 40 E HA -0.069 4.280 4.350 -0.000 0.000 0.192 40 E C 1.218 177.714 176.600 -0.173 0.000 0.986 40 E CA 0.655 57.006 56.400 -0.082 0.000 0.849 40 E CB 0.422 30.097 29.700 -0.041 0.000 0.797 40 E HN 0.174 nan 8.360 nan 0.000 0.482 41 K N -0.540 119.663 120.400 -0.328 0.000 2.365 41 K HA 0.242 4.562 4.320 -0.000 0.000 0.195 41 K C 0.962 177.486 176.600 -0.126 0.000 1.079 41 K CA 0.398 56.490 56.287 -0.326 0.000 0.979 41 K CB 1.300 33.376 32.500 -0.706 0.000 0.929 41 K HN 0.207 nan 8.250 nan 0.000 0.523 42 G N 1.754 110.555 108.800 0.001 0.000 2.498 42 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.251 42 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.251 42 G C 0.270 175.282 174.900 0.186 0.000 1.170 42 G CA -0.051 45.111 45.100 0.104 0.000 0.944 42 G HN 0.138 nan 8.290 nan 0.000 0.567 43 L N 0.266 121.548 121.223 0.099 0.000 2.993 43 L HA 0.336 4.676 4.340 -0.000 0.000 0.264 43 L C 1.423 178.322 176.870 0.048 0.000 1.154 43 L CA 0.851 55.746 54.840 0.093 0.000 0.972 43 L CB 1.234 43.311 42.059 0.031 0.000 1.373 43 L HN 0.897 nan 8.230 nan 0.000 0.564 44 V N -4.131 115.793 119.914 0.017 0.000 2.838 44 V HA 0.197 4.317 4.120 -0.000 0.000 0.363 44 V C 1.545 177.621 176.094 -0.029 0.000 1.324 44 V CA 0.286 62.579 62.300 -0.011 0.000 1.220 44 V CB 0.042 31.854 31.823 -0.019 0.000 1.328 44 V HN 0.261 nan 8.190 nan 0.000 0.595 45 S N 1.262 116.939 115.700 -0.039 0.000 2.419 45 S HA -0.323 4.147 4.470 -0.000 0.000 0.235 45 S C 1.833 176.403 174.600 -0.050 0.000 1.019 45 S CA 1.807 59.972 58.200 -0.058 0.000 0.982 45 S CB -0.527 62.609 63.200 -0.107 0.000 0.789 45 S HN 0.882 nan 8.310 nan 0.000 0.490 46 Q N 0.614 120.381 119.800 -0.056 0.000 2.077 46 Q HA -0.211 4.129 4.340 -0.000 0.000 0.206 46 Q C 2.213 178.198 176.000 -0.026 0.000 0.989 46 Q CA 1.461 57.232 55.803 -0.054 0.000 0.853 46 Q CB -0.521 28.181 28.738 -0.060 0.000 0.907 46 Q HN 0.466 nan 8.270 nan 0.000 0.418 47 Q N 1.025 120.808 119.800 -0.028 0.000 1.965 47 Q HA -0.016 4.324 4.340 -0.000 0.000 0.200 47 Q C 2.459 178.464 176.000 0.008 0.000 0.981 47 Q CA 1.222 57.011 55.803 -0.024 0.000 0.834 47 Q CB -0.469 28.228 28.738 -0.067 0.000 0.900 47 Q HN 0.434 nan 8.270 nan 0.000 0.426 48 L N 1.174 122.388 121.223 -0.015 0.000 1.971 48 L HA -0.268 4.072 4.340 -0.000 0.000 0.215 48 L C 2.117 179.035 176.870 0.081 0.000 1.072 48 L CA 1.612 56.466 54.840 0.024 0.000 0.758 48 L CB -0.839 41.214 42.059 -0.010 0.000 0.889 48 L HN 0.185 nan 8.230 nan 0.000 0.433 49 D N -0.596 119.828 120.400 0.040 0.000 2.123 49 D HA -0.192 4.448 4.640 -0.000 0.000 0.196 49 D C 2.358 178.698 176.300 0.066 0.000 0.992 49 D CA 1.648 55.674 54.000 0.043 0.000 0.833 49 D CB -0.195 40.613 40.800 0.014 0.000 0.954 49 D HN 0.174 nan 8.370 nan 0.000 0.455 50 S N -0.754 114.989 115.700 0.072 0.000 2.356 50 S HA -0.175 4.295 4.470 -0.000 0.000 0.223 50 S C 1.846 176.535 174.600 0.149 0.000 1.032 50 S CA 0.746 58.997 58.200 0.085 0.000 1.005 50 S CB -0.462 62.776 63.200 0.063 0.000 0.867 50 S HN 0.234 nan 8.310 nan 0.000 0.449 51 F N 2.952 122.923 119.950 0.036 0.000 2.146 51 F HA -0.023 4.504 4.527 -0.000 0.000 0.298 51 F C 2.060 177.943 175.800 0.138 0.000 1.096 51 F CA 1.701 59.750 58.000 0.082 0.000 1.275 51 F CB -0.676 38.344 39.000 0.032 0.000 1.008 51 F HN 0.234 nan 8.300 nan 0.000 0.480 52 N N 0.460 119.213 118.700 0.088 0.000 2.104 52 N HA -0.226 4.514 4.740 -0.000 0.000 0.190 52 N C 1.828 177.345 175.510 0.011 0.000 1.024 52 N CA 1.401 54.448 53.050 -0.004 0.000 0.853 52 N CB -0.713 37.812 38.487 0.065 0.000 1.008 52 N HN 0.366 nan 8.380 nan 0.000 0.424 53 Q N 0.066 119.904 119.800 0.064 0.000 2.181 53 Q HA -0.070 4.270 4.340 -0.000 0.000 0.205 53 Q C 1.725 177.798 176.000 0.123 0.000 0.980 53 Q CA 1.057 56.917 55.803 0.096 0.000 0.862 53 Q CB -0.449 28.306 28.738 0.029 0.000 0.905 53 Q HN 0.376 nan 8.270 nan 0.000 0.429 54 F N -0.653 119.219 119.950 -0.129 0.000 2.009 54 F HA -0.137 4.389 4.527 -0.000 0.000 0.293 54 F C 1.933 177.564 175.800 -0.281 0.000 1.156 54 F CA 1.592 59.472 58.000 -0.201 0.000 1.168 54 F CB -0.797 38.041 39.000 -0.269 0.000 0.981 54 F HN -0.086 nan 8.300 nan 0.000 0.475 55 V N 0.773 120.449 119.914 -0.397 0.000 2.439 55 V HA -0.337 3.783 4.120 -0.000 0.000 0.253 55 V C 1.806 177.663 176.094 -0.395 0.000 1.074 55 V CA 2.333 64.324 62.300 -0.514 0.000 1.076 55 V CB -0.761 30.770 31.823 -0.488 0.000 0.664 55 V HN 0.432 nan 8.190 nan 0.000 0.461 56 D N -2.675 117.576 120.400 -0.249 0.000 2.327 56 D HA 0.020 4.660 4.640 -0.000 0.000 0.205 56 D C 1.450 177.451 176.300 -0.498 0.000 0.989 56 D CA 0.984 54.798 54.000 -0.310 0.000 0.873 56 D CB 0.459 41.160 40.800 -0.164 0.000 0.955 56 D HN 0.584 nan 8.370 nan 0.000 0.515 57 Y N -0.785 119.376 120.300 -0.232 0.000 3.199 57 Y HA 0.048 4.598 4.550 -0.000 0.000 0.211 57 Y C 2.299 178.061 175.900 -0.231 0.000 0.959 57 Y CA 0.134 58.120 58.100 -0.190 0.000 1.528 57 Y CB -0.406 37.987 38.460 -0.112 0.000 1.487 57 Y HN -0.246 nan 8.280 nan 0.000 0.403 58 T N 2.220 116.759 114.554 -0.024 0.000 2.778 58 T HA -0.205 4.145 4.350 -0.000 0.000 0.269 58 T C 1.849 176.327 174.700 -0.369 0.000 1.050 58 T CA 1.835 63.872 62.100 -0.104 0.000 1.137 58 T CB -0.496 68.413 68.868 0.068 0.000 0.860 58 T HN 0.074 nan 8.240 nan 0.000 0.468 59 L N 1.119 121.903 121.223 -0.732 0.000 1.976 59 L HA -0.058 4.282 4.340 -0.000 0.000 0.209 59 L C 2.610 179.163 176.870 -0.529 0.000 1.071 59 L CA 1.894 56.162 54.840 -0.953 0.000 0.746 59 L CB -0.913 40.502 42.059 -1.073 0.000 0.890 59 L HN 0.122 nan 8.230 nan 0.000 0.432 60 Q N -0.485 119.081 119.800 -0.389 0.000 2.135 60 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 60 Q C 1.742 177.645 176.000 -0.162 0.000 0.981 60 Q CA 2.129 57.776 55.803 -0.259 0.000 0.856 60 Q CB -0.290 28.308 28.738 -0.233 0.000 0.902 60 Q HN 0.566 nan 8.270 nan 0.000 0.425 61 D N -0.582 119.742 120.400 -0.126 0.000 2.178 61 D HA -0.088 4.552 4.640 -0.000 0.000 0.202 61 D C 1.425 177.718 176.300 -0.012 0.000 0.974 61 D CA 1.043 55.018 54.000 -0.042 0.000 0.841 61 D CB 0.012 40.808 40.800 -0.007 0.000 0.953 61 D HN 0.381 nan 8.370 nan 0.000 0.478 62 I N -0.115 120.429 120.570 -0.043 0.000 2.546 62 I HA -0.129 4.041 4.170 -0.000 0.000 0.255 62 I C 1.636 177.740 176.117 -0.023 0.000 1.163 62 I CA 0.311 61.636 61.300 0.041 0.000 1.457 62 I CB 0.115 38.198 38.000 0.137 0.000 1.092 62 I HN -0.028 nan 8.210 nan 0.000 0.434 63 I N -0.170 120.295 120.570 -0.174 0.000 3.444 63 I HA -0.148 4.022 4.170 -0.000 0.000 0.287 63 I C 1.592 177.770 176.117 0.102 0.000 1.302 63 I CA 1.074 62.220 61.300 -0.258 0.000 1.368 63 I CB -0.234 37.591 38.000 -0.292 0.000 1.048 63 I HN 0.252 nan 8.210 nan 0.000 0.487 64 C N 0.299 119.665 119.300 0.110 0.000 3.228 64 C HA 0.182 4.642 4.460 -0.000 0.000 0.290 64 C C 0.882 175.969 174.990 0.162 0.000 1.301 64 C CA -0.527 58.577 59.018 0.144 0.000 1.703 64 C CB -1.241 26.546 27.740 0.078 0.000 2.141 64 C HN 0.465 nan 8.230 nan 0.000 0.656 65 E N 1.057 121.368 120.200 0.185 0.000 2.227 65 E HA 0.237 4.587 4.350 -0.000 0.000 0.282 65 E C -0.575 176.146 176.600 0.203 0.000 1.015 65 E CA -0.238 56.263 56.400 0.169 0.000 0.823 65 E CB 0.344 30.139 29.700 0.159 0.000 1.081 65 E HN 0.189 nan 8.360 nan 0.000 0.396 66 D N 2.296 122.779 120.400 0.137 0.000 2.882 66 D HA -0.203 4.437 4.640 -0.000 0.000 0.229 66 D C 0.709 177.108 176.300 0.164 0.000 1.167 66 D CA 1.463 55.523 54.000 0.101 0.000 0.759 66 D CB -1.205 39.630 40.800 0.058 0.000 1.088 66 D HN 0.622 nan 8.370 nan 0.000 0.425 67 S N -1.801 114.050 115.700 0.253 0.000 2.660 67 S HA 0.064 4.534 4.470 -0.000 0.000 0.223 67 S C 0.713 175.465 174.600 0.254 0.000 0.963 67 S CA 0.202 58.662 58.200 0.434 0.000 0.932 67 S CB 0.548 64.001 63.200 0.422 0.000 0.775 67 S HN 0.170 nan 8.310 nan 0.000 0.531 68 T N 2.199 116.819 114.554 0.111 0.000 2.876 68 T HA 0.656 5.006 4.350 -0.000 0.000 0.289 68 T C -0.733 173.969 174.700 0.003 0.000 1.014 68 T CA -0.701 61.403 62.100 0.007 0.000 0.986 68 T CB 1.533 70.389 68.868 -0.019 0.000 1.021 68 T HN 0.213 nan 8.240 nan 0.000 0.458 69 L N 2.627 123.849 121.223 -0.000 0.000 2.342 69 L HA 0.634 4.974 4.340 -0.000 0.000 0.271 69 L C 0.251 177.203 176.870 0.136 0.000 1.008 69 L CA -1.218 53.681 54.840 0.099 0.000 0.818 69 L CB 1.476 43.664 42.059 0.214 0.000 1.296 69 L HN 0.503 nan 8.230 nan 0.000 0.427 90 I N 2.577 123.130 120.570 -0.028 0.000 8.342 90 I HA -0.215 3.955 4.170 -0.000 0.000 0.126 90 I C -0.745 175.187 176.117 -0.308 0.000 1.849 90 I CA 0.755 61.959 61.300 -0.159 0.000 2.049 90 I CB -0.685 37.211 38.000 -0.173 0.000 3.803 90 I HN 0.236 nan 8.210 nan 0.000 0.173 91 S N 6.429 121.946 115.700 -0.304 0.000 2.521 91 S HA 0.853 5.323 4.470 -0.000 0.000 0.295 91 S C -0.690 173.742 174.600 -0.280 0.000 1.098 91 S CA -0.919 57.121 58.200 -0.266 0.000 0.999 91 S CB 1.866 65.018 63.200 -0.079 0.000 1.034 91 S HN 0.325 nan 8.310 nan 0.000 0.483 92 F N 1.615 121.643 119.950 0.129 0.000 2.385 92 F HA 0.693 5.220 4.527 -0.000 0.000 0.336 92 F C 1.356 177.221 175.800 0.109 0.000 1.100 92 F CA -0.083 58.006 58.000 0.149 0.000 1.116 92 F CB 1.356 40.502 39.000 0.244 0.000 1.166 92 F HN 0.923 nan 8.300 nan 0.000 0.511 93 G N 1.558 110.521 108.800 0.272 0.000 3.157 93 G HA2 0.210 4.170 3.960 -0.000 0.000 0.206 93 G HA3 0.210 4.170 3.960 -0.000 0.000 0.206 93 G C -0.645 174.328 174.900 0.121 0.000 1.903 93 G CA -0.459 44.740 45.100 0.166 0.000 0.771 93 G HN 0.480 nan 8.290 nan 0.000 0.750 94 K N -0.134 120.334 120.400 0.112 0.000 2.126 94 K HA 0.555 4.875 4.320 -0.000 0.000 0.257 94 K C -0.813 175.822 176.600 0.059 0.000 1.007 94 K CA -0.278 56.025 56.287 0.026 0.000 0.928 94 K CB 0.672 33.170 32.500 -0.003 0.000 1.013 94 K HN 0.234 nan 8.250 nan 0.000 0.473 95 I N 2.711 123.198 120.570 -0.139 0.000 2.569 95 I HA 0.304 4.474 4.170 -0.000 0.000 0.296 95 I C -1.245 174.710 176.117 -0.270 0.000 1.028 95 I CA -1.060 60.198 61.300 -0.070 0.000 1.082 95 I CB 1.486 39.393 38.000 -0.155 0.000 1.264 95 I HN 0.556 nan 8.210 nan 0.000 0.429 96 Y N 3.621 123.918 120.300 -0.006 0.000 2.499 96 Y HA 0.628 5.178 4.550 -0.000 0.000 0.347 96 Y C -0.357 175.551 175.900 0.013 0.000 0.987 96 Y CA -1.048 57.047 58.100 -0.009 0.000 1.044 96 Y CB 2.099 40.565 38.460 0.010 0.000 1.245 96 Y HN 0.078 nan 8.280 nan 0.000 0.461 97 V N 2.422 122.392 119.914 0.093 0.000 2.444 97 V HA 0.417 4.537 4.120 -0.000 0.000 0.294 97 V C -0.191 175.935 176.094 0.054 0.000 1.022 97 V CA -0.960 61.371 62.300 0.053 0.000 0.850 97 V CB 1.561 33.352 31.823 -0.053 0.000 0.992 97 V HN 0.900 nan 8.190 nan 0.000 0.426 98 T N 3.703 118.314 114.554 0.095 0.000 2.788 98 T HA 0.307 4.657 4.350 -0.000 0.000 0.287 98 T C 0.290 174.964 174.700 -0.043 0.000 1.007 98 T CA -0.657 61.475 62.100 0.053 0.000 1.005 98 T CB 0.718 69.666 68.868 0.134 0.000 1.012 98 T HN 0.427 nan 8.240 nan 0.000 0.530 99 K N 1.312 121.662 120.400 -0.083 0.000 2.120 99 K HA 0.278 4.598 4.320 -0.000 0.000 0.245 99 K C -2.478 173.985 176.600 -0.228 0.000 1.024 99 K CA -2.043 54.080 56.287 -0.273 0.000 0.906 99 K CB -0.046 32.318 32.500 -0.227 0.000 1.051 99 K HN 0.299 nan 8.250 nan 0.000 0.491 100 P HA 0.087 nan 4.420 nan 0.000 0.268 100 P C -0.542 176.745 177.300 -0.022 0.000 1.204 100 P CA 0.405 63.300 63.100 -0.342 0.000 0.768 100 P CB 0.469 31.633 31.700 -0.894 0.000 0.842 101 M N 0.310 119.913 119.600 0.005 0.000 2.732 101 M HA 0.570 5.050 4.480 -0.000 0.000 0.272 101 M C -1.701 174.660 176.300 0.102 0.000 1.203 101 M CA -1.170 54.179 55.300 0.082 0.000 0.841 101 M CB 1.580 34.239 32.600 0.099 0.000 1.685 101 M HN -0.124 nan 8.290 nan 0.000 0.492 102 V N 1.346 121.338 119.914 0.129 0.000 2.612 102 V HA 0.494 4.614 4.120 -0.000 0.000 0.301 102 V C -0.454 175.704 176.094 0.106 0.000 1.046 102 V CA -0.602 61.773 62.300 0.124 0.000 0.946 102 V CB 1.413 33.318 31.823 0.137 0.000 1.003 102 V HN 0.945 nan 8.190 nan 0.000 0.459 103 N N 2.396 121.148 118.700 0.085 0.000 2.437 103 N HA 0.170 4.909 4.740 -0.000 0.000 0.243 103 N C -0.383 175.159 175.510 0.052 0.000 1.041 103 N CA -0.101 52.984 53.050 0.058 0.000 0.940 103 N CB 0.645 39.161 38.487 0.048 0.000 1.133 103 N HN 0.828 nan 8.380 nan 0.000 0.506 104 E N 1.204 121.433 120.200 0.047 0.000 2.242 104 E HA 0.236 4.586 4.350 -0.000 0.000 0.275 104 E C -0.561 176.055 176.600 0.028 0.000 1.002 104 E CA -0.694 55.728 56.400 0.037 0.000 0.841 104 E CB 0.886 30.605 29.700 0.032 0.000 1.109 104 E HN 0.724 nan 8.360 nan 0.000 0.394 105 S N 2.617 118.334 115.700 0.028 0.000 2.410 105 S HA 0.254 4.724 4.470 -0.000 0.000 0.304 105 S C -0.651 173.963 174.600 0.023 0.000 1.095 105 S CA -0.764 57.453 58.200 0.028 0.000 1.089 105 S CB 0.540 63.762 63.200 0.037 0.000 0.968 105 S HN 0.545 nan 8.310 nan 0.000 0.480 106 D N 0.842 121.253 120.400 0.019 0.000 2.786 106 D HA 0.032 4.672 4.640 -0.000 0.000 0.243 106 D C 0.179 176.485 176.300 0.011 0.000 1.084 106 D CA 1.854 55.863 54.000 0.016 0.000 0.731 106 D CB -1.391 39.419 40.800 0.017 0.000 1.079 106 D HN 1.217 nan 8.370 nan 0.000 0.435 107 G N -2.392 106.416 108.800 0.012 0.000 2.338 107 G HA2 0.445 4.405 3.960 -0.000 0.000 0.295 107 G HA3 0.445 4.405 3.960 -0.000 0.000 0.295 107 G C -0.446 174.468 174.900 0.023 0.000 1.461 107 G CA -0.367 44.739 45.100 0.011 0.000 0.817 107 G HN 0.298 nan 8.290 nan 0.000 0.556 108 V N 0.004 119.937 119.914 0.032 0.000 3.332 108 V HA 0.290 4.410 4.120 -0.000 0.000 0.305 108 V C 1.153 177.295 176.094 0.080 0.000 1.114 108 V CA 0.336 62.669 62.300 0.055 0.000 1.194 108 V CB 1.286 33.153 31.823 0.073 0.000 1.027 108 V HN 0.780 nan 8.190 nan 0.000 0.492 109 T N 2.673 117.278 114.554 0.085 0.000 2.737 109 T HA 0.231 4.581 4.350 -0.000 0.000 0.296 109 T C -0.261 174.533 174.700 0.156 0.000 0.922 109 T CA 0.159 62.321 62.100 0.104 0.000 1.079 109 T CB -0.271 68.644 68.868 0.079 0.000 0.892 109 T HN 0.708 nan 8.240 nan 0.000 0.514 110 H N 2.012 121.114 119.070 0.053 0.000 2.482 110 H HA 0.615 5.171 4.556 -0.000 0.000 0.344 110 H C 0.073 175.449 175.328 0.079 0.000 1.151 110 H CA -0.476 55.608 56.048 0.060 0.000 1.300 110 H CB 0.794 30.590 29.762 0.057 0.000 1.494 110 H HN 0.723 nan 8.280 nan 0.000 0.542 111 A N 3.622 126.229 122.820 -0.356 0.000 2.409 111 A HA 0.399 4.719 4.320 -0.000 0.000 0.262 111 A C -0.969 176.559 177.584 -0.093 0.000 1.113 111 A CA -0.418 51.508 52.037 -0.184 0.000 0.790 111 A CB -0.140 18.724 19.000 -0.227 0.000 1.046 111 A HN 0.554 nan 8.150 nan 0.000 0.496 112 L N 3.184 124.429 121.223 0.038 0.000 2.305 112 L HA 0.626 4.966 4.340 -0.000 0.000 0.284 112 L C -1.357 175.619 176.870 0.178 0.000 1.013 112 L CA -0.229 54.715 54.840 0.173 0.000 0.819 112 L CB 0.793 42.970 42.059 0.196 0.000 1.227 112 L HN 0.633 nan 8.230 nan 0.000 0.417 113 Y N 6.296 126.716 120.300 0.201 0.000 2.376 113 Y HA 0.449 4.999 4.550 -0.000 0.000 0.325 113 Y C -1.439 174.566 175.900 0.176 0.000 1.199 113 Y CA -1.749 56.495 58.100 0.240 0.000 1.206 113 Y CB 0.732 39.214 38.460 0.036 0.000 1.229 113 Y HN 0.533 nan 8.280 nan 0.000 0.480 114 P HA -0.282 nan 4.420 nan 0.000 0.215 114 P C 1.250 178.525 177.300 -0.042 0.000 1.157 114 P CA 1.719 64.649 63.100 -0.284 0.000 0.874 114 P CB 0.462 31.866 31.700 -0.494 0.000 0.790 115 Q N 0.903 120.723 119.800 0.033 0.000 2.045 115 Q HA -0.225 4.114 4.340 -0.000 0.000 0.206 115 Q C 2.328 178.356 176.000 0.046 0.000 0.991 115 Q CA 2.304 58.128 55.803 0.035 0.000 0.851 115 Q CB -1.180 27.578 28.738 0.033 0.000 0.911 115 Q HN 0.385 nan 8.270 nan 0.000 0.418 116 E N -1.319 118.932 120.200 0.086 0.000 2.153 116 E HA -0.157 4.192 4.350 -0.000 0.000 0.194 116 E C 1.612 178.254 176.600 0.070 0.000 0.988 116 E CA 0.913 57.362 56.400 0.082 0.000 0.811 116 E CB -0.206 29.572 29.700 0.130 0.000 0.746 116 E HN 0.437 nan 8.360 nan 0.000 0.466 117 A N 1.019 123.895 122.820 0.094 0.000 1.968 117 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 117 A C 2.115 179.721 177.584 0.036 0.000 1.169 117 A CA 0.934 53.024 52.037 0.088 0.000 0.638 117 A CB -0.259 18.837 19.000 0.160 0.000 0.812 117 A HN 0.151 nan 8.150 nan 0.000 0.446 118 R N -0.558 119.956 120.500 0.024 0.000 2.062 118 R HA 0.013 4.353 4.340 -0.000 0.000 0.231 118 R C 2.073 178.369 176.300 -0.006 0.000 1.136 118 R CA 1.412 57.520 56.100 0.014 0.000 0.948 118 R CB -0.519 29.793 30.300 0.019 0.000 0.845 118 R HN 0.477 nan 8.270 nan 0.000 0.430 119 L N 0.004 121.222 121.223 -0.008 0.000 1.994 119 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 119 L C 2.452 179.271 176.870 -0.085 0.000 1.071 119 L CA 1.349 56.175 54.840 -0.023 0.000 0.745 119 L CB -0.291 41.761 42.059 -0.011 0.000 0.892 119 L HN 0.083 nan 8.230 nan 0.000 0.431 120 R N 0.709 121.149 120.500 -0.101 0.000 2.328 120 R HA -0.021 4.319 4.340 -0.000 0.000 0.200 120 R C 0.108 176.216 176.300 -0.319 0.000 0.983 120 R CA 0.187 56.166 56.100 -0.201 0.000 1.062 120 R CB -0.548 29.694 30.300 -0.097 0.000 0.956 120 R HN 0.363 nan 8.270 nan 0.000 0.479 121 N N 0.120 118.679 118.700 -0.236 0.000 2.714 121 N HA -0.220 4.520 4.740 -0.000 0.000 0.252 121 N C -0.816 174.631 175.510 -0.105 0.000 1.014 121 N CA 0.180 53.117 53.050 -0.188 0.000 0.735 121 N CB -0.562 37.719 38.487 -0.344 0.000 0.924 121 N HN 0.233 nan 8.380 nan 0.000 0.540 122 L N -0.711 120.491 121.223 -0.034 0.000 2.687 122 L HA 0.537 4.876 4.340 -0.000 0.000 0.252 122 L C 0.813 177.731 176.870 0.079 0.000 1.115 122 L CA -0.535 54.321 54.840 0.026 0.000 0.893 122 L CB 1.131 43.224 42.059 0.056 0.000 1.670 122 L HN -0.071 nan 8.230 nan 0.000 0.531 123 T N -0.678 113.943 114.554 0.112 0.000 2.847 123 T HA 0.214 4.564 4.350 -0.000 0.000 0.291 123 T C -0.960 173.860 174.700 0.199 0.000 0.998 123 T CA -0.234 61.953 62.100 0.145 0.000 0.967 123 T CB 0.448 69.384 68.868 0.114 0.000 0.954 123 T HN 0.222 nan 8.240 nan 0.000 0.441 124 Y N 4.915 125.263 120.300 0.080 0.000 2.530 124 Y HA 0.361 4.911 4.550 -0.000 0.000 0.340 124 Y C 0.727 176.679 175.900 0.086 0.000 1.247 124 Y CA -0.404 57.738 58.100 0.071 0.000 1.727 124 Y CB -0.622 37.865 38.460 0.044 0.000 1.613 124 Y HN 0.658 nan 8.280 nan 0.000 0.464 125 S N 1.255 116.944 115.700 -0.020 0.000 2.745 125 S HA 0.871 5.341 4.470 -0.000 0.000 0.306 125 S C -0.586 173.963 174.600 -0.084 0.000 1.137 125 S CA -0.953 57.240 58.200 -0.011 0.000 0.900 125 S CB 2.008 65.251 63.200 0.071 0.000 1.176 125 S HN 0.272 nan 8.310 nan 0.000 0.520 126 S N -0.759 114.933 115.700 -0.013 0.000 2.595 126 S HA 0.764 5.234 4.470 -0.000 0.000 0.281 126 S C -0.067 174.578 174.600 0.075 0.000 1.117 126 S CA -0.587 57.614 58.200 0.001 0.000 0.873 126 S CB 1.541 64.709 63.200 -0.054 0.000 1.108 126 S HN 1.145 nan 8.310 nan 0.000 0.477 127 G N 0.886 109.785 108.800 0.164 0.000 2.378 127 G HA2 0.452 4.412 3.960 -0.000 0.000 0.255 127 G HA3 0.452 4.412 3.960 -0.000 0.000 0.255 127 G C -1.023 173.956 174.900 0.130 0.000 1.270 127 G CA -0.054 45.184 45.100 0.231 0.000 0.876 127 G HN 0.418 nan 8.290 nan 0.000 0.521 128 L N 3.112 124.208 121.223 -0.211 0.000 2.277 128 L HA 0.530 4.870 4.340 -0.000 0.000 0.284 128 L C -1.012 175.657 176.870 -0.336 0.000 1.028 128 L CA -0.648 54.086 54.840 -0.176 0.000 0.835 128 L CB 0.417 42.360 42.059 -0.194 0.000 1.215 128 L HN 0.353 nan 8.230 nan 0.000 0.425 129 F N 3.825 123.754 119.950 -0.036 0.000 2.444 129 F HA 0.597 5.124 4.527 -0.000 0.000 0.342 129 F C 0.380 176.243 175.800 0.106 0.000 1.121 129 F CA -0.599 57.418 58.000 0.028 0.000 0.997 129 F CB 1.485 40.522 39.000 0.062 0.000 1.130 129 F HN 0.100 nan 8.300 nan 0.000 0.454 130 V N 1.175 121.219 119.914 0.218 0.000 3.406 130 V HA 0.411 4.531 4.120 -0.000 0.000 0.305 130 V C -0.700 175.566 176.094 0.286 0.000 1.136 130 V CA -0.767 61.668 62.300 0.225 0.000 1.011 130 V CB 1.861 33.783 31.823 0.165 0.000 1.221 130 V HN 0.559 nan 8.190 nan 0.000 0.454 131 D N 0.683 121.255 120.400 0.285 0.000 2.389 131 D HA 0.384 5.024 4.640 -0.000 0.000 0.256 131 D C -1.005 175.436 176.300 0.235 0.000 1.239 131 D CA -0.015 54.133 54.000 0.246 0.000 0.925 131 D CB 1.712 42.665 40.800 0.255 0.000 1.145 131 D HN 0.212 nan 8.370 nan 0.000 0.542 132 V N 3.180 123.225 119.914 0.218 0.000 2.607 132 V HA 0.285 4.405 4.120 -0.000 0.000 0.289 132 V C 0.470 176.609 176.094 0.075 0.000 1.053 132 V CA -0.334 62.056 62.300 0.149 0.000 0.996 132 V CB 1.516 33.427 31.823 0.147 0.000 0.995 132 V HN 0.265 nan 8.190 nan 0.000 0.476 133 K N 4.025 124.435 120.400 0.017 0.000 2.478 133 K HA 0.378 4.698 4.320 -0.000 0.000 0.236 133 K C -0.669 175.939 176.600 0.014 0.000 1.021 133 K CA -0.427 55.876 56.287 0.027 0.000 1.010 133 K CB 0.995 33.515 32.500 0.033 0.000 1.331 133 K HN 0.495 nan 8.250 nan 0.000 0.470 134 K N 3.276 123.694 120.400 0.030 0.000 2.338 134 K HA 0.192 4.512 4.320 -0.000 0.000 0.290 134 K C -0.234 176.402 176.600 0.060 0.000 1.069 134 K CA 0.045 56.356 56.287 0.040 0.000 0.941 134 K CB 0.614 33.142 32.500 0.045 0.000 1.023 134 K HN 0.269 nan 8.250 nan 0.000 0.477 135 R N 1.756 122.322 120.500 0.110 0.000 2.513 135 R HA 0.206 4.546 4.340 -0.000 0.000 0.301 135 R C -0.706 175.666 176.300 0.120 0.000 0.968 135 R CA -0.714 55.462 56.100 0.127 0.000 0.872 135 R CB 1.981 32.468 30.300 0.312 0.000 1.177 135 R HN 0.459 nan 8.270 nan 0.000 0.444 136 T N 3.266 117.756 114.554 -0.107 0.000 2.834 136 T HA 0.235 4.585 4.350 -0.000 0.000 0.298 136 T C -0.595 173.880 174.700 -0.374 0.000 0.966 136 T CA 0.402 62.419 62.100 -0.139 0.000 1.141 136 T CB 0.036 68.817 68.868 -0.145 0.000 0.905 136 T HN 0.315 nan 8.240 nan 0.000 0.535 137 Y N 0.229 120.516 120.300 -0.023 0.000 2.644 137 Y HA 0.499 5.049 4.550 -0.000 0.000 0.338 137 Y C 0.471 176.356 175.900 -0.025 0.000 1.119 137 Y CA -1.263 56.827 58.100 -0.017 0.000 1.060 137 Y CB 1.896 40.352 38.460 -0.008 0.000 1.294 137 Y HN 0.571 nan 8.280 nan 0.000 0.472 165 V N 1.589 121.690 119.914 0.311 0.000 3.148 165 V HA -0.156 3.964 4.120 -0.000 0.000 0.455 165 V C -0.928 175.290 176.094 0.207 0.000 0.682 165 V CA 0.281 62.742 62.300 0.268 0.000 1.992 165 V CB -0.813 31.130 31.823 0.201 0.000 2.465 165 V HN 0.418 nan 8.190 nan 0.000 0.494 166 F N 6.280 126.138 119.950 -0.152 0.000 2.394 166 F HA 0.817 5.344 4.527 -0.000 0.000 0.340 166 F C 0.264 175.837 175.800 -0.378 0.000 1.105 166 F CA -0.488 57.071 58.000 -0.735 0.000 1.124 166 F CB 0.973 39.645 39.000 -0.548 0.000 1.145 166 F HN 0.413 nan 8.300 nan 0.000 0.505 167 I N 6.748 126.662 120.570 -1.094 0.000 2.560 167 I HA 0.407 4.577 4.170 -0.000 0.000 0.278 167 I C 0.159 175.836 176.117 -0.733 0.000 1.089 167 I CA -0.522 60.392 61.300 -0.643 0.000 1.086 167 I CB 0.972 38.805 38.000 -0.278 0.000 1.202 167 I HN 0.989 nan 8.210 nan 0.000 0.471 168 G N 5.226 113.618 108.800 -0.680 0.000 2.915 168 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.337 168 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.337 168 G C -0.628 174.035 174.900 -0.396 0.000 1.477 168 G CA -0.662 44.225 45.100 -0.356 0.000 0.916 168 G HN 0.644 nan 8.290 nan 0.000 0.550 169 R N -1.008 119.437 120.500 -0.091 0.000 2.686 169 R HA 0.591 4.931 4.340 -0.000 0.000 0.286 169 R C -0.881 175.448 176.300 0.049 0.000 0.969 169 R CA -1.002 55.097 56.100 -0.002 0.000 0.898 169 R CB 2.008 32.366 30.300 0.097 0.000 1.183 169 R HN 0.595 nan 8.270 nan 0.000 0.456 170 L N 4.695 125.959 121.223 0.069 0.000 2.298 170 L HA 0.467 4.807 4.340 -0.000 0.000 0.284 170 L C -2.455 174.509 176.870 0.158 0.000 1.013 170 L CA -2.213 52.706 54.840 0.131 0.000 0.824 170 L CB 1.273 43.421 42.059 0.148 0.000 1.221 170 L HN 0.427 nan 8.230 nan 0.000 0.418 171 P HA 0.125 nan 4.420 nan 0.000 0.267 171 P C -0.580 176.951 177.300 0.385 0.000 1.205 171 P CA 0.304 63.526 63.100 0.204 0.000 0.765 171 P CB 0.729 32.485 31.700 0.092 0.000 0.828 172 I N 3.914 124.659 120.570 0.293 0.000 2.359 172 I HA 0.302 4.472 4.170 -0.000 0.000 0.294 172 I C 1.123 177.103 176.117 -0.228 0.000 0.987 172 I CA -1.050 60.337 61.300 0.146 0.000 1.225 172 I CB 1.462 39.467 38.000 0.008 0.000 1.366 172 I HN 0.260 nan 8.210 nan 0.000 0.466 173 M N 6.542 125.467 119.600 -1.124 0.000 2.227 173 M HA 0.185 4.665 4.480 -0.000 0.000 0.349 173 M C -0.752 175.112 176.300 -0.727 0.000 1.443 173 M CA -0.552 53.850 55.300 -1.498 0.000 1.110 173 M CB 0.457 31.929 32.600 -1.880 0.000 1.773 173 M HN 0.344 nan 8.290 nan 0.000 0.463 174 L N 6.361 127.157 121.223 -0.712 0.000 2.543 174 L HA -0.021 4.319 4.340 -0.000 0.000 0.285 174 L C 1.135 177.782 176.870 -0.372 0.000 1.236 174 L CA 1.228 55.752 54.840 -0.527 0.000 0.871 174 L CB -0.022 41.548 42.059 -0.814 0.000 1.121 174 L HN 0.839 nan 8.230 nan 0.000 0.501 175 R N -0.547 119.830 120.500 -0.205 0.000 4.000 175 R HA -0.184 4.156 4.340 -0.000 0.000 0.362 175 R C 0.278 176.531 176.300 -0.080 0.000 1.183 175 R CA 0.822 56.850 56.100 -0.121 0.000 1.011 175 R CB -2.154 28.072 30.300 -0.124 0.000 1.501 175 R HN 0.805 nan 8.270 nan 0.000 0.553 176 S N -0.197 115.462 115.700 -0.068 0.000 2.655 176 S HA 0.305 4.775 4.470 -0.000 0.000 0.265 176 S C 1.204 175.829 174.600 0.040 0.000 1.240 176 S CA -0.849 57.377 58.200 0.044 0.000 0.986 176 S CB 1.620 64.960 63.200 0.233 0.000 0.985 176 S HN 0.174 nan 8.310 nan 0.000 0.562 177 K N 0.631 121.063 120.400 0.054 0.000 2.113 177 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 177 K C 1.802 178.391 176.600 -0.020 0.000 1.047 177 K CA 1.905 58.198 56.287 0.010 0.000 0.928 177 K CB -0.499 32.000 32.500 -0.000 0.000 0.716 177 K HN 0.556 nan 8.250 nan 0.000 0.446 178 N N 0.446 119.146 118.700 -0.000 0.000 2.188 178 N HA -0.089 4.651 4.740 -0.000 0.000 0.184 178 N C 0.578 175.972 175.510 -0.194 0.000 1.018 178 N CA 0.465 53.470 53.050 -0.074 0.000 0.858 178 N CB -0.010 38.474 38.487 -0.005 0.000 0.989 178 N HN 0.189 nan 8.380 nan 0.000 0.426 179 C N 0.315 119.546 119.300 -0.116 0.000 2.679 179 C HA -0.033 4.427 4.460 -0.000 0.000 0.417 179 C C 1.515 176.420 174.990 -0.141 0.000 1.302 179 C CA -0.472 58.477 59.018 -0.115 0.000 1.973 179 C CB -0.849 26.911 27.740 0.033 0.000 2.715 179 C HN 0.545 nan 8.230 nan 0.000 0.628 180 Y N 2.561 122.872 120.300 0.019 0.000 2.571 180 Y HA 0.040 4.590 4.550 -0.000 0.000 0.294 180 Y C 1.937 177.874 175.900 0.062 0.000 1.141 180 Y CA 0.755 58.856 58.100 0.000 0.000 1.308 180 Y CB -0.244 38.136 38.460 -0.133 0.000 1.002 180 Y HN 0.595 nan 8.280 nan 0.000 0.551 181 L N -0.890 120.432 121.223 0.165 0.000 2.446 181 L HA -0.072 4.268 4.340 -0.000 0.000 0.219 181 L C 2.481 179.376 176.870 0.042 0.000 1.116 181 L CA 0.755 55.653 54.840 0.097 0.000 0.844 181 L CB -0.504 41.577 42.059 0.037 0.000 0.970 181 L HN 0.235 nan 8.230 nan 0.000 0.457 182 S N 0.645 116.360 115.700 0.024 0.000 2.374 182 S HA -0.239 4.231 4.470 -0.000 0.000 0.227 182 S C 1.486 176.096 174.600 0.017 0.000 1.037 182 S CA 1.560 59.764 58.200 0.006 0.000 1.024 182 S CB -0.307 62.892 63.200 -0.003 0.000 0.861 182 S HN 0.557 nan 8.310 nan 0.000 0.456 183 E N 1.360 121.583 120.200 0.037 0.000 2.481 183 E HA 0.513 4.863 4.350 -0.000 0.000 0.198 183 E C 0.420 177.047 176.600 0.044 0.000 1.027 183 E CA 0.180 56.603 56.400 0.038 0.000 0.900 183 E CB 0.423 30.151 29.700 0.045 0.000 0.993 183 E HN 0.659 nan 8.360 nan 0.000 0.482 184 A N 1.753 124.603 122.820 0.051 0.000 2.388 184 A HA 0.306 4.626 4.320 -0.000 0.000 0.257 184 A C 0.805 178.398 177.584 0.015 0.000 1.095 184 A CA -0.370 51.695 52.037 0.045 0.000 0.791 184 A CB 0.131 19.166 19.000 0.059 0.000 1.029 184 A HN 0.201 nan 8.150 nan 0.000 0.489 185 T N -0.533 114.029 114.554 0.014 0.000 2.771 185 T HA 0.232 4.582 4.350 -0.000 0.000 0.290 185 T C 1.030 175.726 174.700 -0.008 0.000 1.005 185 T CA 0.526 62.627 62.100 0.003 0.000 0.944 185 T CB 0.544 69.418 68.868 0.011 0.000 1.147 185 T HN 0.734 nan 8.240 nan 0.000 0.534 186 E N 0.113 120.311 120.200 -0.003 0.000 2.031 186 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 186 E C 2.315 178.968 176.600 0.089 0.000 0.994 186 E CA 1.623 58.025 56.400 0.003 0.000 0.800 186 E CB -0.391 29.330 29.700 0.036 0.000 0.752 186 E HN 0.782 nan 8.360 nan 0.000 0.447 187 S N 0.410 116.183 115.700 0.122 0.000 2.399 187 S HA -0.183 4.287 4.470 -0.000 0.000 0.231 187 S C 1.579 176.238 174.600 0.098 0.000 1.022 187 S CA 1.422 59.717 58.200 0.158 0.000 0.983 187 S CB -0.292 62.950 63.200 0.070 0.000 0.803 187 S HN 0.258 nan 8.310 nan 0.000 0.480 188 D N 1.630 122.056 120.400 0.043 0.000 2.178 188 D HA 0.001 4.641 4.640 -0.000 0.000 0.201 188 D C 1.935 178.237 176.300 0.002 0.000 0.980 188 D CA 0.986 54.997 54.000 0.019 0.000 0.842 188 D CB -0.249 40.564 40.800 0.022 0.000 0.948 188 D HN 0.425 nan 8.370 nan 0.000 0.472 189 L N -0.504 120.702 121.223 -0.029 0.000 2.072 189 L HA -0.161 4.179 4.340 -0.000 0.000 0.205 189 L C 2.404 179.192 176.870 -0.136 0.000 1.079 189 L CA 0.866 55.641 54.840 -0.108 0.000 0.752 189 L CB -0.427 41.508 42.059 -0.207 0.000 0.906 189 L HN 0.047 nan 8.230 nan 0.000 0.436 190 Y N 0.496 120.773 120.300 -0.039 0.000 2.163 190 Y HA -0.236 4.314 4.550 -0.000 0.000 0.288 190 Y C 2.588 178.455 175.900 -0.055 0.000 1.136 190 Y CA 1.332 59.403 58.100 -0.048 0.000 1.147 190 Y CB -0.146 38.283 38.460 -0.051 0.000 0.987 190 Y HN 0.025 nan 8.280 nan 0.000 0.509 191 K N 0.059 120.521 120.400 0.103 0.000 2.281 191 K HA -0.145 4.175 4.320 -0.000 0.000 0.203 191 K C 1.440 178.019 176.600 -0.036 0.000 1.046 191 K CA 1.108 57.405 56.287 0.016 0.000 0.938 191 K CB -0.245 32.247 32.500 -0.013 0.000 0.737 191 K HN 0.341 nan 8.250 nan 0.000 0.458 192 L N 0.762 121.959 121.223 -0.044 0.000 2.592 192 L HA 0.062 4.402 4.340 -0.000 0.000 0.227 192 L C -0.091 176.754 176.870 -0.040 0.000 1.127 192 L CA 0.084 54.879 54.840 -0.075 0.000 0.884 192 L CB -0.015 42.013 42.059 -0.051 0.000 1.065 192 L HN 0.117 nan 8.230 nan 0.000 0.457 193 K N 0.445 120.829 120.400 -0.027 0.000 3.117 193 K HA -0.169 4.151 4.320 -0.000 0.000 0.269 193 K C -0.294 176.283 176.600 -0.038 0.000 1.098 193 K CA 0.528 56.800 56.287 -0.024 0.000 0.785 193 K CB -1.369 31.117 32.500 -0.023 0.000 1.242 193 K HN 0.250 nan 8.250 nan 0.000 0.491 194 E N 0.912 121.069 120.200 -0.071 0.000 2.220 194 E HA 0.103 4.453 4.350 -0.000 0.000 0.256 194 E C -0.446 176.058 176.600 -0.159 0.000 0.881 194 E CA -0.523 55.833 56.400 -0.074 0.000 0.766 194 E CB 1.594 31.267 29.700 -0.045 0.000 1.187 194 E HN 0.325 nan 8.360 nan 0.000 0.419 195 C N 6.753 125.986 119.300 -0.112 0.000 2.523 195 C HA 0.034 4.494 4.460 -0.000 0.000 0.406 195 C C -0.569 174.322 174.990 -0.165 0.000 1.449 195 C CA -1.006 57.930 59.018 -0.136 0.000 1.588 195 C CB -0.043 27.701 27.740 0.006 0.000 2.514 195 C HN 0.578 nan 8.230 nan 0.000 0.606 196 P HA -0.101 nan 4.420 nan 0.000 0.228 196 P C 0.985 178.126 177.300 -0.265 0.000 1.151 196 P CA 1.582 64.474 63.100 -0.347 0.000 0.770 196 P CB -0.108 31.299 31.700 -0.488 0.000 0.786 197 F N -0.140 119.752 119.950 -0.098 0.000 2.789 197 F HA 0.092 4.619 4.527 -0.000 0.000 0.300 197 F C 1.355 177.237 175.800 0.137 0.000 1.132 197 F CA 0.029 58.007 58.000 -0.037 0.000 1.404 197 F CB -0.299 38.593 39.000 -0.180 0.000 1.114 197 F HN -0.129 nan 8.300 nan 0.000 0.584 198 D N 1.250 121.794 120.400 0.241 0.000 2.443 198 D HA -0.036 4.604 4.640 -0.000 0.000 0.239 198 D C 1.280 177.686 176.300 0.178 0.000 1.136 198 D CA 0.172 54.313 54.000 0.235 0.000 0.879 198 D CB 0.934 41.828 40.800 0.158 0.000 1.195 198 D HN 0.065 nan 8.370 nan 0.000 0.443 199 M N 1.773 121.480 119.600 0.178 0.000 2.398 199 M HA 0.167 4.646 4.480 -0.000 0.000 0.261 199 M C 1.285 177.615 176.300 0.049 0.000 1.125 199 M CA 1.415 56.777 55.300 0.104 0.000 1.183 199 M CB -1.194 31.450 32.600 0.072 0.000 1.322 199 M HN 0.496 nan 8.290 nan 0.000 0.467 200 G N 0.685 109.558 108.800 0.123 0.000 2.142 200 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.225 200 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.225 200 G C 0.610 175.321 174.900 -0.315 0.000 1.015 200 G CA 0.110 45.107 45.100 -0.172 0.000 0.716 200 G HN 0.938 nan 8.290 nan 0.000 0.508 201 G N -0.100 108.657 108.800 -0.071 0.000 3.562 201 G HA2 0.583 4.543 3.960 -0.000 0.000 0.279 201 G HA3 0.583 4.543 3.960 -0.000 0.000 0.279 201 G C 0.244 175.023 174.900 -0.201 0.000 1.314 201 G CA 0.424 45.422 45.100 -0.171 0.000 1.189 201 G HN 1.245 nan 8.290 nan 0.000 0.562 202 Y N -2.409 117.667 120.300 -0.373 0.000 2.698 202 Y HA 0.840 5.390 4.550 -0.000 0.000 0.332 202 Y C -1.031 174.536 175.900 -0.554 0.000 1.119 202 Y CA -2.655 55.224 58.100 -0.368 0.000 1.109 202 Y CB 1.158 39.506 38.460 -0.188 0.000 1.308 202 Y HN -0.132 nan 8.280 nan 0.000 0.499 203 F N 0.488 120.446 119.950 0.013 0.000 2.575 203 F HA 0.664 5.191 4.527 -0.000 0.000 0.330 203 F C -0.511 175.351 175.800 0.102 0.000 1.056 203 F CA -1.125 56.858 58.000 -0.028 0.000 0.964 203 F CB 1.892 40.876 39.000 -0.026 0.000 1.258 203 F HN 0.278 nan 8.300 nan 0.000 0.484 204 I N 3.327 124.063 120.570 0.277 0.000 2.437 204 I HA 0.350 4.520 4.170 -0.000 0.000 0.279 204 I C -1.113 175.115 176.117 0.186 0.000 1.028 204 I CA -0.090 61.328 61.300 0.195 0.000 1.142 204 I CB 0.798 38.861 38.000 0.105 0.000 1.266 204 I HN 0.346 nan 8.210 nan 0.000 0.461 205 I N 6.359 127.015 120.570 0.143 0.000 2.355 205 I HA 0.311 4.481 4.170 -0.000 0.000 0.288 205 I C -0.010 176.155 176.117 0.080 0.000 0.999 205 I CA -0.524 60.839 61.300 0.105 0.000 1.163 205 I CB 1.064 39.109 38.000 0.074 0.000 1.316 205 I HN 0.566 nan 8.210 nan 0.000 0.454 206 N N 5.209 123.955 118.700 0.076 0.000 2.735 206 N HA -0.202 4.538 4.740 -0.000 0.000 0.248 206 N C 0.915 176.452 175.510 0.046 0.000 1.083 206 N CA 1.240 54.326 53.050 0.061 0.000 0.703 206 N CB -1.053 37.477 38.487 0.072 0.000 1.005 206 N HN 1.176 nan 8.380 nan 0.000 0.550 207 G N -1.628 107.198 108.800 0.043 0.000 2.284 207 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.247 207 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.247 207 G C 0.080 175.002 174.900 0.037 0.000 1.012 207 G CA 0.942 46.058 45.100 0.027 0.000 0.618 207 G HN 1.453 nan 8.290 nan 0.000 0.521 208 S N 0.328 116.055 115.700 0.046 0.000 2.541 208 S HA 0.645 5.115 4.470 -0.000 0.000 0.283 208 S C -0.185 174.444 174.600 0.047 0.000 1.196 208 S CA -0.273 57.946 58.200 0.031 0.000 1.062 208 S CB 1.951 65.166 63.200 0.025 0.000 1.009 208 S HN 0.385 nan 8.310 nan 0.000 0.502 209 E N 2.520 122.725 120.200 0.009 0.000 2.217 209 E HA 0.198 4.548 4.350 -0.000 0.000 0.279 209 E C -0.321 176.280 176.600 0.001 0.000 1.068 209 E CA -0.176 56.235 56.400 0.017 0.000 0.882 209 E CB 0.522 30.104 29.700 -0.197 0.000 1.039 209 E HN 0.408 nan 8.360 nan 0.000 0.418 210 K N 2.368 122.837 120.400 0.116 0.000 2.270 210 K HA 0.446 4.766 4.320 -0.000 0.000 0.255 210 K C -0.702 175.972 176.600 0.123 0.000 0.936 210 K CA -0.811 55.528 56.287 0.086 0.000 0.809 210 K CB 2.091 34.652 32.500 0.103 0.000 1.131 210 K HN 0.196 nan 8.250 nan 0.000 0.427 211 V N 3.139 123.037 119.914 -0.027 0.000 2.581 211 V HA 0.440 4.560 4.120 -0.000 0.000 0.303 211 V C 0.046 176.106 176.094 -0.057 0.000 1.041 211 V CA -1.061 61.199 62.300 -0.067 0.000 0.907 211 V CB 1.777 33.389 31.823 -0.352 0.000 0.994 211 V HN 0.560 nan 8.190 nan 0.000 0.442 212 L N 5.086 126.300 121.223 -0.014 0.000 2.272 212 L HA 0.414 4.754 4.340 -0.000 0.000 0.284 212 L C -0.381 176.417 176.870 -0.121 0.000 1.045 212 L CA -0.480 54.307 54.840 -0.087 0.000 0.842 212 L CB 0.832 42.856 42.059 -0.057 0.000 1.224 212 L HN 0.439 nan 8.230 nan 0.000 0.430 213 I N 2.827 123.317 120.570 -0.133 0.000 2.648 213 I HA 0.071 4.241 4.170 -0.000 0.000 0.284 213 I C 1.088 177.133 176.117 -0.120 0.000 1.153 213 I CA -0.030 61.211 61.300 -0.098 0.000 1.426 213 I CB 0.754 38.720 38.000 -0.057 0.000 1.381 213 I HN 0.547 nan 8.210 nan 0.000 0.571 214 A N 7.842 130.611 122.820 -0.085 0.000 2.520 214 A HA 0.153 4.473 4.320 -0.000 0.000 0.245 214 A C 0.257 177.788 177.584 -0.087 0.000 1.072 214 A CA -0.278 51.707 52.037 -0.086 0.000 0.761 214 A CB -0.049 18.921 19.000 -0.049 0.000 1.004 214 A HN 0.654 nan 8.150 nan 0.000 0.499 215 Q N 1.756 121.488 119.800 -0.114 0.000 2.340 215 Q HA 0.232 4.572 4.340 -0.000 0.000 0.259 215 Q C -0.333 175.623 176.000 -0.075 0.000 0.964 215 Q CA -0.111 55.630 55.803 -0.104 0.000 0.900 215 Q CB 1.589 30.236 28.738 -0.153 0.000 1.228 215 Q HN 0.871 nan 8.270 nan 0.000 0.449 216 E N 3.552 123.725 120.200 -0.044 0.000 2.259 216 E HA 0.296 4.646 4.350 -0.000 0.000 0.281 216 E C -0.415 176.155 176.600 -0.050 0.000 1.027 216 E CA -0.255 56.121 56.400 -0.040 0.000 0.838 216 E CB 0.814 30.525 29.700 0.018 0.000 1.066 216 E HN 0.484 nan 8.360 nan 0.000 0.401 217 R N 2.056 122.511 120.500 -0.074 0.000 2.764 217 R HA 0.317 4.657 4.340 -0.000 0.000 0.270 217 R C -1.236 175.017 176.300 -0.078 0.000 1.014 217 R CA -0.701 55.363 56.100 -0.061 0.000 0.904 217 R CB 1.180 31.449 30.300 -0.052 0.000 1.236 217 R HN 0.422 nan 8.270 nan 0.000 0.466 218 S N 0.687 116.354 115.700 -0.055 0.000 2.572 218 S HA 0.358 4.827 4.470 -0.000 0.000 0.279 218 S C 0.270 174.834 174.600 -0.060 0.000 1.341 218 S CA -0.008 58.159 58.200 -0.056 0.000 1.043 218 S CB 0.996 64.185 63.200 -0.019 0.000 0.887 218 S HN 0.682 nan 8.310 nan 0.000 0.516 219 A N 2.097 124.871 122.820 -0.077 0.000 2.332 219 A HA 0.641 4.961 4.320 -0.000 0.000 0.258 219 A C 0.798 178.361 177.584 -0.036 0.000 1.087 219 A CA -0.105 51.888 52.037 -0.072 0.000 0.802 219 A CB -0.131 18.798 19.000 -0.117 0.000 1.042 219 A HN 0.887 nan 8.150 nan 0.000 0.489 220 G N -0.528 108.258 108.800 -0.023 0.000 2.511 220 G HA2 0.443 4.403 3.960 -0.000 0.000 0.316 220 G HA3 0.443 4.403 3.960 -0.000 0.000 0.316 220 G C -0.230 174.647 174.900 -0.038 0.000 1.210 220 G CA -0.446 44.641 45.100 -0.023 0.000 0.969 220 G HN 0.974 nan 8.290 nan 0.000 0.492 221 N N -1.350 117.278 118.700 -0.121 0.000 2.696 221 N HA -0.160 4.580 4.740 -0.000 0.000 0.256 221 N C -0.743 174.743 175.510 -0.040 0.000 1.031 221 N CA 0.961 53.850 53.050 -0.268 0.000 0.730 221 N CB -1.074 37.217 38.487 -0.327 0.000 0.894 221 N HN 0.527 nan 8.380 nan 0.000 0.544 222 I N -0.155 120.427 120.570 0.020 0.000 2.610 222 I HA 0.201 4.371 4.170 -0.000 0.000 0.289 222 I C 0.073 176.238 176.117 0.081 0.000 1.163 222 I CA -0.928 60.420 61.300 0.081 0.000 1.044 222 I CB 2.258 40.279 38.000 0.035 0.000 1.251 222 I HN -0.245 nan 8.210 nan 0.000 0.424 223 V N 6.262 126.244 119.914 0.113 0.000 2.637 223 V HA 0.224 4.344 4.120 -0.000 0.000 0.296 223 V C -0.098 175.939 176.094 -0.096 0.000 1.046 223 V CA 0.119 62.446 62.300 0.045 0.000 1.066 223 V CB 1.075 32.921 31.823 0.038 0.000 0.968 223 V HN 0.708 nan 8.190 nan 0.000 0.483 224 Q N 2.836 122.517 119.800 -0.199 0.000 2.263 224 Q HA 0.476 4.815 4.340 -0.000 0.000 0.262 224 Q C -1.465 174.067 176.000 -0.779 0.000 0.984 224 Q CA -0.469 55.045 55.803 -0.481 0.000 0.813 224 Q CB 2.562 31.027 28.738 -0.455 0.000 1.299 224 Q HN 0.595 nan 8.270 nan 0.000 0.428 225 V N 3.160 122.651 119.914 -0.705 0.000 2.617 225 V HA 0.597 4.717 4.120 -0.000 0.000 0.298 225 V C -0.533 175.148 176.094 -0.687 0.000 1.048 225 V CA -0.190 61.797 62.300 -0.522 0.000 0.964 225 V CB 0.734 32.413 31.823 -0.240 0.000 1.004 225 V HN 0.586 nan 8.190 nan 0.000 0.466 226 F N 1.959 121.933 119.950 0.041 0.000 2.591 226 F HA 0.515 5.042 4.527 -0.000 0.000 0.309 226 F C 0.389 176.190 175.800 0.002 0.000 1.098 226 F CA -1.175 56.837 58.000 0.020 0.000 0.937 226 F CB 1.969 40.969 39.000 -0.000 0.000 1.250 226 F HN 0.290 nan 8.300 nan 0.000 0.447 227 K N 1.746 122.245 120.400 0.165 0.000 2.140 227 K HA 0.522 4.842 4.320 -0.000 0.000 0.237 227 K C -0.688 175.869 176.600 -0.073 0.000 1.045 227 K CA -0.606 55.636 56.287 -0.075 0.000 0.896 227 K CB 0.898 33.363 32.500 -0.058 0.000 1.122 227 K HN 0.619 nan 8.250 nan 0.000 0.503 228 K N -0.258 120.047 120.400 -0.159 0.000 2.527 228 K HA 0.330 4.650 4.320 -0.000 0.000 0.260 228 K C -1.174 175.371 176.600 -0.091 0.000 0.937 228 K CA -0.698 55.529 56.287 -0.101 0.000 0.826 228 K CB 2.295 34.737 32.500 -0.097 0.000 1.359 228 K HN 0.729 nan 8.250 nan 0.000 0.434 229 A N 1.398 124.181 122.820 -0.062 0.000 2.587 229 A HA 0.126 4.446 4.320 -0.000 0.000 0.235 229 A C 1.392 178.950 177.584 -0.044 0.000 1.044 229 A CA 1.097 53.106 52.037 -0.046 0.000 0.754 229 A CB -0.001 18.977 19.000 -0.036 0.000 0.968 229 A HN 0.921 nan 8.150 nan 0.000 0.509 230 A N 4.326 127.125 122.820 -0.034 0.000 1.971 230 A HA -0.180 4.140 4.320 -0.000 0.000 0.222 230 A C 0.529 178.101 177.584 -0.019 0.000 1.182 230 A CA 2.105 54.127 52.037 -0.025 0.000 0.649 230 A CB -1.638 17.353 19.000 -0.015 0.000 0.818 230 A HN 0.801 nan 8.150 nan 0.000 0.458 231 P HA -0.087 nan 4.420 nan 0.000 0.212 231 P C 0.975 178.268 177.300 -0.011 0.000 1.180 231 P CA 1.426 64.520 63.100 -0.010 0.000 0.906 231 P CB -0.917 30.778 31.700 -0.009 0.000 0.782 232 S N 1.365 117.053 115.700 -0.020 0.000 2.542 232 S HA -0.011 4.459 4.470 -0.000 0.000 0.287 232 S C -1.112 173.472 174.600 -0.025 0.000 1.315 232 S CA -0.375 57.810 58.200 -0.025 0.000 1.037 232 S CB -0.406 62.767 63.200 -0.044 0.000 0.822 232 S HN 0.190 nan 8.310 nan 0.000 0.513 233 P HA 0.238 nan 4.420 nan 0.000 0.245 233 P C 0.003 177.267 177.300 -0.060 0.000 1.206 233 P CA 0.379 63.482 63.100 0.005 0.000 0.781 233 P CB -0.024 31.717 31.700 0.068 0.000 0.994 234 I N 1.203 121.684 120.570 -0.149 0.000 2.312 234 I HA 0.078 4.248 4.170 -0.000 0.000 0.290 234 I C 1.695 177.734 176.117 -0.130 0.000 1.008 234 I CA -0.274 60.883 61.300 -0.239 0.000 1.226 234 I CB 1.543 39.341 38.000 -0.337 0.000 1.371 234 I HN -0.126 nan 8.210 nan 0.000 0.468 235 S N 5.006 120.663 115.700 -0.073 0.000 2.446 235 S HA 0.115 4.585 4.470 -0.000 0.000 0.225 235 S C 0.634 175.019 174.600 -0.358 0.000 1.016 235 S CA 0.525 58.650 58.200 -0.126 0.000 0.943 235 S CB 0.039 63.263 63.200 0.041 0.000 0.786 235 S HN 0.627 nan 8.310 nan 0.000 0.508 236 H N -0.912 118.141 119.070 -0.028 0.000 3.037 236 H HA 0.654 5.210 4.556 -0.000 0.000 0.355 236 H C -1.733 173.590 175.328 -0.008 0.000 1.263 236 H CA -0.753 55.292 56.048 -0.006 0.000 1.129 236 H CB 2.137 31.892 29.762 -0.011 0.000 1.861 236 H HN 0.066 nan 8.280 nan 0.000 0.546 237 V N 0.642 120.641 119.914 0.141 0.000 2.808 237 V HA 0.563 4.683 4.120 -0.000 0.000 0.308 237 V C -0.566 175.559 176.094 0.051 0.000 1.099 237 V CA -0.887 61.471 62.300 0.096 0.000 0.920 237 V CB 1.854 33.743 31.823 0.109 0.000 1.014 237 V HN 0.921 nan 8.190 nan 0.000 0.425 238 A N 3.320 126.157 122.820 0.029 0.000 2.273 238 A HA 0.833 5.153 4.320 -0.000 0.000 0.315 238 A C -0.431 177.167 177.584 0.024 0.000 1.256 238 A CA -0.475 51.540 52.037 -0.036 0.000 0.851 238 A CB 0.640 19.619 19.000 -0.035 0.000 1.172 238 A HN 0.847 nan 8.150 nan 0.000 0.508 239 E N 1.312 121.513 120.200 0.001 0.000 2.212 239 E HA 0.658 5.008 4.350 -0.000 0.000 0.268 239 E C -1.374 175.275 176.600 0.083 0.000 0.902 239 E CA -0.510 55.940 56.400 0.083 0.000 0.779 239 E CB 2.750 32.546 29.700 0.160 0.000 1.172 239 E HN 0.658 nan 8.360 nan 0.000 0.409 240 I N 1.411 122.049 120.570 0.113 0.000 2.686 240 I HA 0.343 4.512 4.170 -0.000 0.000 0.295 240 I C -1.251 174.911 176.117 0.075 0.000 1.114 240 I CA -0.718 60.646 61.300 0.106 0.000 1.038 240 I CB 1.639 39.745 38.000 0.176 0.000 1.238 240 I HN 0.413 nan 8.210 nan 0.000 0.420 241 R N 5.686 126.208 120.500 0.036 0.000 2.477 241 R HA 0.375 4.715 4.340 -0.000 0.000 0.285 241 R C -0.802 175.489 176.300 -0.015 0.000 1.415 241 R CA -0.364 55.753 56.100 0.028 0.000 1.446 241 R CB 0.672 30.992 30.300 0.033 0.000 1.110 241 R HN 0.773 nan 8.270 nan 0.000 0.590 242 S N 1.260 116.949 115.700 -0.019 0.000 2.579 242 S HA 0.631 5.101 4.470 -0.000 0.000 0.275 242 S C -0.024 174.593 174.600 0.029 0.000 1.345 242 S CA -0.364 57.805 58.200 -0.053 0.000 1.031 242 S CB 1.779 65.029 63.200 0.083 0.000 0.892 242 S HN 0.639 nan 8.310 nan 0.000 0.529 243 A N 1.987 124.831 122.820 0.040 0.000 2.565 243 A HA 0.532 4.852 4.320 -0.000 0.000 0.298 243 A C -0.760 176.882 177.584 0.097 0.000 1.062 243 A CA -0.949 51.138 52.037 0.084 0.000 0.723 243 A CB 0.662 19.696 19.000 0.057 0.000 1.282 243 A HN 0.821 nan 8.150 nan 0.000 0.400 244 L N 2.189 123.483 121.223 0.119 0.000 2.380 244 L HA 0.215 4.555 4.340 -0.000 0.000 0.273 244 L C 1.594 178.519 176.870 0.092 0.000 1.138 244 L CA -0.214 54.689 54.840 0.104 0.000 0.832 244 L CB 0.771 42.896 42.059 0.110 0.000 1.124 244 L HN 1.027 nan 8.230 nan 0.000 0.454 245 E N 1.820 122.069 120.200 0.081 0.000 2.085 245 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 245 E C 0.477 177.122 176.600 0.074 0.000 0.994 245 E CA 1.498 57.942 56.400 0.073 0.000 0.801 245 E CB 0.316 30.056 29.700 0.067 0.000 0.743 245 E HN 0.531 nan 8.360 nan 0.000 0.453 246 K N -1.849 118.597 120.400 0.076 0.000 2.092 246 K HA 0.404 4.724 4.320 -0.000 0.000 0.256 246 K C 0.910 177.569 176.600 0.099 0.000 1.041 246 K CA -0.310 56.026 56.287 0.081 0.000 1.070 246 K CB 0.381 32.921 32.500 0.067 0.000 1.707 246 K HN 0.117 nan 8.250 nan 0.000 0.750 247 G N 1.000 109.861 108.800 0.101 0.000 2.692 247 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.339 247 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.339 247 G C -0.277 174.710 174.900 0.146 0.000 1.226 247 G CA 0.839 46.011 45.100 0.120 0.000 0.979 247 G HN 0.760 nan 8.290 nan 0.000 0.549 248 S N 0.145 115.961 115.700 0.193 0.000 2.596 248 S HA 0.689 5.159 4.470 -0.000 0.000 0.318 248 S C -0.158 174.580 174.600 0.230 0.000 1.097 248 S CA -0.484 57.842 58.200 0.210 0.000 1.080 248 S CB 1.901 65.319 63.200 0.364 0.000 0.991 248 S HN 0.750 nan 8.310 nan 0.000 0.471 249 R N 2.237 122.785 120.500 0.080 0.000 2.605 249 R HA 0.168 4.508 4.340 -0.000 0.000 0.271 249 R C -1.201 175.095 176.300 -0.006 0.000 1.418 249 R CA 0.093 56.234 56.100 0.068 0.000 1.102 249 R CB -0.498 29.821 30.300 0.031 0.000 1.131 249 R HN 0.558 nan 8.270 nan 0.000 0.554 250 F N 3.038 123.017 119.950 0.048 0.000 2.368 250 F HA 0.220 4.747 4.527 -0.000 0.000 0.362 250 F C 0.989 176.815 175.800 0.042 0.000 1.137 250 F CA -0.589 57.441 58.000 0.049 0.000 1.161 250 F CB 0.605 39.639 39.000 0.056 0.000 1.265 250 F HN 0.336 nan 8.300 nan 0.000 0.530 251 I N 3.627 124.266 120.570 0.116 0.000 2.280 251 I HA 0.011 4.181 4.170 -0.000 0.000 0.287 251 I C 0.355 176.529 176.117 0.095 0.000 1.121 251 I CA -0.165 61.187 61.300 0.086 0.000 1.798 251 I CB -0.821 37.200 38.000 0.035 0.000 1.489 251 I HN 0.439 nan 8.210 nan 0.000 0.805 252 S N 1.908 117.684 115.700 0.127 0.000 2.528 252 S HA 0.302 4.772 4.470 -0.000 0.000 0.277 252 S C 0.223 174.868 174.600 0.076 0.000 1.297 252 S CA -0.629 57.628 58.200 0.095 0.000 1.052 252 S CB 1.035 64.300 63.200 0.110 0.000 0.917 252 S HN 0.326 nan 8.310 nan 0.000 0.492 253 T N 4.215 118.806 114.554 0.061 0.000 2.767 253 T HA 0.448 4.798 4.350 -0.000 0.000 0.284 253 T C -0.517 174.239 174.700 0.094 0.000 0.973 253 T CA -0.489 61.654 62.100 0.071 0.000 0.996 253 T CB 0.756 69.661 68.868 0.062 0.000 0.927 253 T HN 0.605 nan 8.240 nan 0.000 0.456 254 L N 4.169 125.461 121.223 0.115 0.000 2.295 254 L HA 0.481 4.821 4.340 -0.000 0.000 0.285 254 L C -0.539 176.419 176.870 0.148 0.000 1.035 254 L CA -0.062 54.871 54.840 0.154 0.000 0.806 254 L CB 1.220 43.386 42.059 0.177 0.000 1.214 254 L HN 0.595 nan 8.230 nan 0.000 0.426 255 Q N 4.307 124.197 119.800 0.150 0.000 2.321 255 Q HA 0.550 4.890 4.340 -0.000 0.000 0.270 255 Q C -1.436 174.652 176.000 0.147 0.000 1.032 255 Q CA -0.821 55.063 55.803 0.135 0.000 0.784 255 Q CB 2.800 31.606 28.738 0.113 0.000 1.264 255 Q HN 0.478 nan 8.270 nan 0.000 0.448 256 V N 3.411 123.406 119.914 0.135 0.000 2.293 256 V HA 0.287 4.407 4.120 -0.000 0.000 0.275 256 V C -0.397 175.766 176.094 0.116 0.000 1.021 256 V CA -0.698 61.686 62.300 0.141 0.000 0.815 256 V CB 0.741 32.648 31.823 0.139 0.000 1.025 256 V HN 0.598 nan 8.190 nan 0.000 0.448 257 K N 4.018 124.496 120.400 0.129 0.000 2.130 257 K HA 0.626 4.945 4.320 -0.000 0.000 0.268 257 K C -0.765 175.901 176.600 0.111 0.000 0.983 257 K CA -0.839 55.489 56.287 0.068 0.000 0.893 257 K CB 2.067 34.546 32.500 -0.036 0.000 1.066 257 K HN 0.424 nan 8.250 nan 0.000 0.450 258 L N 3.877 125.133 121.223 0.056 0.000 2.297 258 L HA 0.294 4.634 4.340 -0.000 0.000 0.277 258 L C -1.422 175.493 176.870 0.075 0.000 1.040 258 L CA -0.399 54.510 54.840 0.116 0.000 0.867 258 L CB -0.115 42.010 42.059 0.110 0.000 1.244 258 L HN 0.410 nan 8.230 nan 0.000 0.433 259 Y N 3.862 124.205 120.300 0.072 0.000 2.425 259 Y HA 0.530 5.080 4.550 -0.000 0.000 0.331 259 Y C 1.271 177.206 175.900 0.058 0.000 1.157 259 Y CA 0.789 58.926 58.100 0.062 0.000 1.372 259 Y CB 0.810 39.303 38.460 0.055 0.000 1.253 259 Y HN 0.869 nan 8.280 nan 0.000 0.536 260 G N 2.988 111.887 108.800 0.166 0.000 2.785 260 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.686 260 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.686 260 G C -0.986 173.966 174.900 0.086 0.000 1.155 260 G CA -1.180 43.991 45.100 0.117 0.000 0.760 260 G HN 0.650 nan 8.290 nan 0.000 0.624 261 R N 0.924 121.463 120.500 0.065 0.000 2.782 261 R HA 0.505 4.845 4.340 -0.000 0.000 0.258 261 R C 0.098 176.433 176.300 0.059 0.000 1.055 261 R CA -0.982 55.153 56.100 0.057 0.000 1.065 261 R CB 1.209 31.527 30.300 0.029 0.000 1.172 261 R HN 0.657 nan 8.270 nan 0.000 0.510 262 E N 0.721 120.958 120.200 0.062 0.000 2.918 262 E HA -0.059 4.291 4.350 -0.000 0.000 0.232 262 E C 0.452 177.075 176.600 0.039 0.000 1.073 262 E CA 1.197 57.628 56.400 0.051 0.000 0.949 262 E CB -0.147 29.582 29.700 0.048 0.000 0.937 262 E HN 0.912 nan 8.360 nan 0.000 0.536 263 G N 2.704 111.527 108.800 0.038 0.000 2.154 263 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.186 263 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.186 263 G C 0.145 175.066 174.900 0.034 0.000 1.000 263 G CA 0.035 45.155 45.100 0.033 0.000 0.664 263 G HN 0.602 nan 8.290 nan 0.000 0.513 264 S N 0.116 115.841 115.700 0.041 0.000 2.617 264 S HA 0.763 5.233 4.470 -0.000 0.000 0.283 264 S C 0.510 175.136 174.600 0.042 0.000 1.189 264 S CA 0.440 58.666 58.200 0.044 0.000 1.036 264 S CB 1.831 65.065 63.200 0.057 0.000 1.014 264 S HN 1.710 nan 8.310 nan 0.000 0.522 265 S N 1.442 117.165 115.700 0.038 0.000 2.533 265 S HA 0.495 4.965 4.470 -0.000 0.000 0.282 265 S C 0.719 175.340 174.600 0.036 0.000 1.304 265 S CA -0.384 57.835 58.200 0.032 0.000 1.063 265 S CB -0.204 63.011 63.200 0.025 0.000 0.881 265 S HN 2.316 nan 8.310 nan 0.000 0.493 266 A N 2.411 125.249 122.820 0.030 0.000 1.938 266 A HA -0.202 4.118 4.320 -0.000 0.000 0.256 266 A C 0.511 178.123 177.584 0.048 0.000 1.315 266 A CA 0.529 52.584 52.037 0.030 0.000 0.744 266 A CB -1.453 17.558 19.000 0.018 0.000 1.186 266 A HN 0.870 nan 8.150 nan 0.000 0.294 267 R N 1.085 121.619 120.500 0.056 0.000 2.399 267 R HA 0.271 4.611 4.340 -0.000 0.000 0.324 267 R C 0.626 176.978 176.300 0.086 0.000 1.030 267 R CA 0.691 56.842 56.100 0.085 0.000 0.984 267 R CB 0.392 30.737 30.300 0.075 0.000 0.961 267 R HN 0.650 nan 8.270 nan 0.000 0.433 268 T N 3.455 118.080 114.554 0.118 0.000 2.927 268 T HA 0.541 4.891 4.350 -0.000 0.000 0.281 268 T C -0.056 174.748 174.700 0.173 0.000 0.998 268 T CA -0.483 61.678 62.100 0.101 0.000 1.019 268 T CB 0.706 69.595 68.868 0.036 0.000 1.061 268 T HN 0.368 nan 8.240 nan 0.000 0.518 269 I N 2.945 123.600 120.570 0.141 0.000 2.447 269 I HA 0.447 4.617 4.170 -0.000 0.000 0.287 269 I C -0.252 175.972 176.117 0.178 0.000 1.023 269 I CA -0.748 60.662 61.300 0.182 0.000 1.083 269 I CB 1.655 39.733 38.000 0.129 0.000 1.245 269 I HN 0.380 nan 8.210 nan 0.000 0.434 270 K N 4.666 125.219 120.400 0.254 0.000 2.385 270 K HA 0.900 5.220 4.320 -0.000 0.000 0.248 270 K C -0.988 175.744 176.600 0.219 0.000 0.955 270 K CA -0.848 55.564 56.287 0.208 0.000 0.816 270 K CB 2.882 35.494 32.500 0.186 0.000 1.250 270 K HN 0.604 nan 8.250 nan 0.000 0.434 271 A N 0.806 123.729 122.820 0.171 0.000 2.356 271 A HA 0.605 4.925 4.320 -0.000 0.000 0.323 271 A C -0.791 176.883 177.584 0.151 0.000 1.119 271 A CA -0.628 51.509 52.037 0.167 0.000 0.790 271 A CB 1.401 20.498 19.000 0.161 0.000 1.273 271 A HN 0.541 nan 8.150 nan 0.000 0.452 272 T N 2.704 117.350 114.554 0.152 0.000 2.853 272 T HA 0.485 4.835 4.350 -0.000 0.000 0.317 272 T C -0.167 174.607 174.700 0.123 0.000 1.059 272 T CA 0.062 62.239 62.100 0.128 0.000 0.954 272 T CB -0.362 68.577 68.868 0.118 0.000 0.994 272 T HN 0.429 nan 8.240 nan 0.000 0.479 273 L N 5.416 126.698 121.223 0.098 0.000 2.379 273 L HA 0.503 4.843 4.340 -0.000 0.000 0.269 273 L C -1.764 175.143 176.870 0.061 0.000 1.084 273 L CA -2.385 52.513 54.840 0.096 0.000 0.802 273 L CB 0.522 42.602 42.059 0.036 0.000 1.175 273 L HN 0.316 nan 8.230 nan 0.000 0.448 274 P HA 0.100 nan 4.420 nan 0.000 0.280 274 P C -0.779 176.484 177.300 -0.061 0.000 1.244 274 P CA 0.046 63.065 63.100 -0.135 0.000 0.784 274 P CB 0.554 32.126 31.700 -0.213 0.000 0.913 275 Y N -0.843 119.513 120.300 0.093 0.000 4.929 275 Y HA -0.205 4.345 4.550 -0.000 0.000 0.252 275 Y C 0.530 176.512 175.900 0.138 0.000 0.950 275 Y CA 0.011 58.185 58.100 0.123 0.000 1.935 275 Y CB -2.119 36.431 38.460 0.149 0.000 1.440 275 Y HN 0.307 nan 8.280 nan 0.000 0.567 276 I N 1.058 121.737 120.570 0.182 0.000 2.355 276 I HA 0.217 4.387 4.170 -0.000 0.000 0.288 276 I C 0.419 176.596 176.117 0.099 0.000 0.999 276 I CA -0.863 60.526 61.300 0.148 0.000 1.163 276 I CB 1.341 39.413 38.000 0.120 0.000 1.316 276 I HN -0.148 nan 8.210 nan 0.000 0.454 277 K N 4.898 125.349 120.400 0.085 0.000 3.025 277 K HA 0.185 4.505 4.320 -0.000 0.000 0.260 277 K C -0.428 176.199 176.600 0.045 0.000 1.023 277 K CA 0.169 56.492 56.287 0.060 0.000 1.194 277 K CB -0.368 32.161 32.500 0.049 0.000 1.094 277 K HN 0.473 nan 8.250 nan 0.000 0.460 278 Q N 0.124 119.957 119.800 0.055 0.000 2.518 278 Q HA 0.078 4.418 4.340 -0.000 0.000 0.254 278 Q C -1.710 174.340 176.000 0.084 0.000 0.962 278 Q CA -0.528 55.308 55.803 0.055 0.000 0.982 278 Q CB 1.243 29.992 28.738 0.019 0.000 1.516 278 Q HN 0.107 nan 8.270 nan 0.000 0.426 279 D N 3.171 123.631 120.400 0.101 0.000 2.455 279 D HA 0.228 4.868 4.640 -0.000 0.000 0.241 279 D C -0.282 176.093 176.300 0.124 0.000 1.138 279 D CA 0.715 54.792 54.000 0.128 0.000 0.877 279 D CB 0.600 41.509 40.800 0.182 0.000 1.187 279 D HN 0.375 nan 8.370 nan 0.000 0.451 280 I N 4.462 125.114 120.570 0.137 0.000 2.354 280 I HA 0.177 4.347 4.170 -0.000 0.000 0.292 280 I C -2.048 174.129 176.117 0.101 0.000 0.989 280 I CA -2.162 59.234 61.300 0.160 0.000 1.188 280 I CB 1.841 39.935 38.000 0.157 0.000 1.342 280 I HN 0.038 nan 8.210 nan 0.000 0.457 281 P HA -0.026 nan 4.420 nan 0.000 0.262 281 P C 1.065 178.390 177.300 0.041 0.000 1.182 281 P CA 0.236 63.352 63.100 0.028 0.000 0.761 281 P CB 0.508 32.186 31.700 -0.035 0.000 0.795 282 I N 1.439 122.070 120.570 0.101 0.000 2.335 282 I HA -0.212 3.958 4.170 -0.000 0.000 0.251 282 I C 1.672 177.954 176.117 0.275 0.000 1.129 282 I CA 1.322 62.731 61.300 0.181 0.000 1.402 282 I CB -0.887 37.272 38.000 0.265 0.000 1.069 282 I HN -0.014 nan 8.210 nan 0.000 0.424 283 V N 1.953 121.962 119.914 0.158 0.000 2.407 283 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 283 V C 2.601 178.741 176.094 0.077 0.000 1.055 283 V CA 2.150 64.524 62.300 0.123 0.000 1.049 283 V CB -0.484 31.346 31.823 0.011 0.000 0.662 283 V HN 0.449 nan 8.190 nan 0.000 0.455 284 I N -0.445 120.101 120.570 -0.040 0.000 2.286 284 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 284 I C 2.209 178.287 176.117 -0.065 0.000 1.115 284 I CA 1.701 62.922 61.300 -0.133 0.000 1.392 284 I CB -0.285 37.501 38.000 -0.357 0.000 1.065 284 I HN 0.260 nan 8.210 nan 0.000 0.418 285 I N -0.140 120.399 120.570 -0.051 0.000 2.315 285 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 285 I C 2.280 178.298 176.117 -0.164 0.000 1.117 285 I CA 1.497 62.704 61.300 -0.156 0.000 1.404 285 I CB -0.340 37.506 38.000 -0.256 0.000 1.071 285 I HN 0.071 nan 8.210 nan 0.000 0.419 286 F N 1.001 120.901 119.950 -0.083 0.000 2.186 286 F HA -0.150 4.377 4.527 -0.000 0.000 0.299 286 F C 2.681 178.418 175.800 -0.104 0.000 1.090 286 F CA 1.390 59.332 58.000 -0.098 0.000 1.307 286 F CB -0.285 38.648 39.000 -0.112 0.000 1.019 286 F HN -0.138 nan 8.300 nan 0.000 0.489 287 R N -0.316 120.235 120.500 0.084 0.000 2.115 287 R HA -0.019 4.321 4.340 -0.000 0.000 0.226 287 R C 2.330 178.622 176.300 -0.013 0.000 1.100 287 R CA 0.920 57.029 56.100 0.014 0.000 0.980 287 R CB -0.551 29.738 30.300 -0.018 0.000 0.875 287 R HN 0.219 nan 8.270 nan 0.000 0.445 288 A N 0.624 123.423 122.820 -0.035 0.000 2.067 288 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 288 A C 1.842 179.399 177.584 -0.044 0.000 1.158 288 A CA 0.998 53.010 52.037 -0.043 0.000 0.661 288 A CB -0.235 18.724 19.000 -0.068 0.000 0.801 288 A HN 0.206 nan 8.150 nan 0.000 0.452 289 L N -1.981 119.212 121.223 -0.049 0.000 2.567 289 L HA 0.231 4.571 4.340 -0.000 0.000 0.225 289 L C 1.604 178.468 176.870 -0.010 0.000 1.119 289 L CA 0.619 55.439 54.840 -0.033 0.000 0.871 289 L CB 0.137 42.160 42.059 -0.059 0.000 1.036 289 L HN 0.566 nan 8.230 nan 0.000 0.459 290 G N 0.734 109.530 108.800 -0.006 0.000 2.163 290 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.213 290 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.213 290 G C 0.152 175.050 174.900 -0.003 0.000 0.991 290 G CA -0.498 44.601 45.100 -0.002 0.000 0.653 290 G HN 0.217 nan 8.290 nan 0.000 0.518 291 I N 2.416 122.985 120.570 -0.002 0.000 2.337 291 I HA 0.309 4.479 4.170 -0.000 0.000 0.285 291 I C 1.214 177.325 176.117 -0.010 0.000 1.041 291 I CA -1.083 60.206 61.300 -0.020 0.000 1.199 291 I CB 0.682 38.633 38.000 -0.081 0.000 1.370 291 I HN -0.122 nan 8.210 nan 0.000 0.470 292 I N 5.848 126.407 120.570 -0.018 0.000 2.499 292 I HA 0.123 4.293 4.170 -0.000 0.000 0.243 292 I C -1.405 174.690 176.117 -0.036 0.000 1.085 292 I CA 0.057 61.342 61.300 -0.026 0.000 1.422 292 I CB -2.086 35.899 38.000 -0.025 0.000 1.165 292 I HN 0.299 nan 8.210 nan 0.000 0.440 293 P HA 0.038 nan 4.420 nan 0.000 0.268 293 P C -0.165 177.107 177.300 -0.046 0.000 1.204 293 P CA 0.277 63.359 63.100 -0.030 0.000 0.768 293 P CB 0.971 32.659 31.700 -0.020 0.000 0.842 294 D N 3.438 123.816 120.400 -0.037 0.000 2.126 294 D HA -0.197 4.443 4.640 -0.000 0.000 0.190 294 D C 2.314 178.575 176.300 -0.066 0.000 1.001 294 D CA 2.311 56.281 54.000 -0.051 0.000 0.841 294 D CB -1.132 39.658 40.800 -0.017 0.000 0.949 294 D HN 0.594 nan 8.370 nan 0.000 0.446 295 G N 0.627 109.401 108.800 -0.044 0.000 2.529 295 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.219 295 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.219 295 G C 1.497 176.374 174.900 -0.039 0.000 1.177 295 G CA 1.064 46.138 45.100 -0.044 0.000 0.773 295 G HN 0.317 nan 8.290 nan 0.000 0.573 296 E N -0.131 120.055 120.200 -0.024 0.000 2.118 296 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 296 E C 2.601 179.222 176.600 0.035 0.000 0.992 296 E CA 0.735 57.150 56.400 0.026 0.000 0.804 296 E CB -0.148 29.573 29.700 0.034 0.000 0.741 296 E HN 0.554 nan 8.360 nan 0.000 0.458 297 I N 0.840 121.334 120.570 -0.126 0.000 2.163 297 I HA -0.281 3.889 4.170 -0.000 0.000 0.240 297 I C 2.378 178.297 176.117 -0.330 0.000 1.081 297 I CA 0.917 61.990 61.300 -0.379 0.000 1.353 297 I CB -0.297 37.397 38.000 -0.510 0.000 1.054 297 I HN 0.106 nan 8.210 nan 0.000 0.407 298 L N 0.436 121.535 121.223 -0.206 0.000 2.079 298 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 298 L C 2.559 179.367 176.870 -0.103 0.000 1.081 298 L CA 1.487 56.233 54.840 -0.156 0.000 0.752 298 L CB -0.691 41.308 42.059 -0.101 0.000 0.896 298 L HN 0.332 nan 8.230 nan 0.000 0.433 299 E N -0.571 119.604 120.200 -0.041 0.000 2.153 299 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 299 E C 2.040 178.674 176.600 0.058 0.000 0.988 299 E CA 0.882 57.291 56.400 0.015 0.000 0.811 299 E CB 0.063 29.785 29.700 0.037 0.000 0.746 299 E HN 0.575 nan 8.360 nan 0.000 0.466 300 H N -0.837 118.202 119.070 -0.050 0.000 2.524 300 H HA -0.004 4.552 4.556 -0.000 0.000 0.282 300 H C 1.814 177.233 175.328 0.152 0.000 1.016 300 H CA 0.923 57.004 56.048 0.056 0.000 1.270 300 H CB 0.447 30.114 29.762 -0.159 0.000 1.394 300 H HN 0.285 nan 8.280 nan 0.000 0.568 301 I N -0.915 119.628 120.570 -0.044 0.000 2.947 301 I HA -0.033 4.137 4.170 -0.000 0.000 0.263 301 I C 0.897 176.680 176.117 -0.557 0.000 1.130 301 I CA 0.240 61.429 61.300 -0.185 0.000 1.448 301 I CB 0.709 38.637 38.000 -0.119 0.000 1.222 301 I HN 0.030 nan 8.210 nan 0.000 0.453 302 C N 1.851 120.892 119.300 -0.433 0.000 2.225 302 C HA 0.343 4.803 4.460 -0.000 0.000 0.323 302 C C 0.311 175.138 174.990 -0.272 0.000 1.164 302 C CA -0.539 58.258 59.018 -0.370 0.000 1.565 302 C CB -1.304 26.337 27.740 -0.165 0.000 2.124 302 C HN 0.376 nan 8.230 nan 0.000 0.461 303 Y N 3.368 123.750 120.300 0.137 0.000 2.873 303 Y HA 0.353 4.902 4.550 -0.000 0.000 0.375 303 Y C 0.797 176.765 175.900 0.113 0.000 1.070 303 Y CA -0.296 57.895 58.100 0.153 0.000 1.644 303 Y CB -0.240 38.358 38.460 0.231 0.000 1.495 303 Y HN 0.608 nan 8.280 nan 0.000 0.494 304 D N -0.606 119.883 120.400 0.148 0.000 2.804 304 D HA 0.102 4.742 4.640 -0.000 0.000 0.209 304 D C 0.105 176.452 176.300 0.078 0.000 1.314 304 D CA -0.192 53.877 54.000 0.115 0.000 0.894 304 D CB 2.012 42.866 40.800 0.091 0.000 1.615 304 D HN 0.017 nan 8.370 nan 0.000 0.571 305 V N 3.396 123.362 119.914 0.087 0.000 3.041 305 V HA -0.050 4.070 4.120 -0.000 0.000 0.260 305 V C 1.852 177.996 176.094 0.083 0.000 1.105 305 V CA 0.851 63.194 62.300 0.071 0.000 1.125 305 V CB -0.294 31.570 31.823 0.068 0.000 0.730 305 V HN 0.534 nan 8.190 nan 0.000 0.479 306 N N -0.162 118.594 118.700 0.094 0.000 2.424 306 N HA -0.049 4.691 4.740 -0.000 0.000 0.178 306 N C 0.888 176.497 175.510 0.165 0.000 1.060 306 N CA 0.375 53.505 53.050 0.133 0.000 0.901 306 N CB -0.106 38.453 38.487 0.119 0.000 0.979 306 N HN 0.361 nan 8.380 nan 0.000 0.451 307 D N 2.254 122.694 120.400 0.067 0.000 2.662 307 D HA -0.078 4.562 4.640 -0.000 0.000 0.228 307 D C 1.435 177.684 176.300 -0.085 0.000 1.090 307 D CA -0.381 53.590 54.000 -0.048 0.000 1.118 307 D CB -0.412 40.343 40.800 -0.074 0.000 1.129 307 D HN 0.357 nan 8.370 nan 0.000 0.472 308 W N 1.699 122.994 121.300 -0.008 0.000 2.364 308 W HA -0.184 4.476 4.660 -0.000 0.000 0.281 308 W C 1.009 177.518 176.519 -0.017 0.000 1.219 308 W CA 0.214 57.551 57.345 -0.013 0.000 1.220 308 W CB -0.709 28.744 29.460 -0.011 0.000 1.127 308 W HN 0.265 nan 8.180 nan 0.000 0.556 309 Q N 0.533 119.721 119.800 -1.020 0.000 2.079 309 Q HA -0.180 4.160 4.340 -0.000 0.000 0.200 309 Q C 2.506 178.290 176.000 -0.361 0.000 0.974 309 Q CA 2.015 57.297 55.803 -0.867 0.000 0.840 309 Q CB -0.374 27.791 28.738 -0.954 0.000 0.898 309 Q HN 0.354 nan 8.270 nan 0.000 0.430 310 M N 0.439 119.868 119.600 -0.285 0.000 2.156 310 M HA -0.134 4.346 4.480 -0.000 0.000 0.264 310 M C 1.869 178.103 176.300 -0.110 0.000 1.067 310 M CA 1.285 56.480 55.300 -0.174 0.000 1.131 310 M CB 0.102 32.609 32.600 -0.154 0.000 1.368 310 M HN 0.186 nan 8.290 nan 0.000 0.416 311 L N 0.162 121.339 121.223 -0.077 0.000 2.131 311 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 311 L C 2.381 179.248 176.870 -0.005 0.000 1.092 311 L CA 1.338 56.161 54.840 -0.029 0.000 0.759 311 L CB -0.674 41.392 42.059 0.013 0.000 0.903 311 L HN 0.370 nan 8.230 nan 0.000 0.435 312 E N 0.281 120.488 120.200 0.013 0.000 2.110 312 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 312 E C 2.214 178.816 176.600 0.003 0.000 0.988 312 E CA 1.330 57.756 56.400 0.044 0.000 0.804 312 E CB -0.057 29.703 29.700 0.101 0.000 0.745 312 E HN 0.266 nan 8.360 nan 0.000 0.458 313 M N -0.240 119.339 119.600 -0.035 0.000 2.358 313 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 313 M C 1.680 177.966 176.300 -0.022 0.000 1.064 313 M CA 1.052 56.330 55.300 -0.037 0.000 1.093 313 M CB -0.228 32.331 32.600 -0.069 0.000 1.401 313 M HN 0.224 nan 8.290 nan 0.000 0.440 314 L N -1.121 120.086 121.223 -0.026 0.000 2.529 314 L HA -0.031 4.309 4.340 -0.000 0.000 0.223 314 L C 2.246 179.107 176.870 -0.015 0.000 1.113 314 L CA 0.098 54.925 54.840 -0.022 0.000 0.861 314 L CB -0.402 41.631 42.059 -0.043 0.000 1.012 314 L HN 0.196 nan 8.230 nan 0.000 0.461 315 K N 1.426 121.821 120.400 -0.009 0.000 2.059 315 K HA -0.183 4.137 4.320 -0.000 0.000 0.212 315 K C -0.538 176.055 176.600 -0.011 0.000 1.050 315 K CA 1.910 58.192 56.287 -0.009 0.000 0.927 315 K CB -0.727 31.774 32.500 0.000 0.000 0.714 315 K HN 0.186 nan 8.250 nan 0.000 0.447 316 P HA -0.094 nan 4.420 nan 0.000 0.223 316 P C 0.937 178.239 177.300 0.003 0.000 1.151 316 P CA 1.056 64.155 63.100 -0.001 0.000 0.787 316 P CB -0.029 31.677 31.700 0.011 0.000 0.788 317 C N -0.359 118.945 119.300 0.007 0.000 2.453 317 C HA -0.067 4.393 4.460 -0.000 0.000 0.277 317 C C 2.990 177.984 174.990 0.006 0.000 1.262 317 C CA 0.536 59.561 59.018 0.013 0.000 1.718 317 C CB -1.495 26.253 27.740 0.014 0.000 2.031 317 C HN 0.099 nan 8.230 nan 0.000 0.480 318 V N 1.088 121.001 119.914 -0.002 0.000 2.287 318 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 318 V C 2.371 178.489 176.094 0.040 0.000 1.053 318 V CA 2.192 64.498 62.300 0.011 0.000 1.027 318 V CB -0.785 31.038 31.823 0.000 0.000 0.646 318 V HN 0.620 nan 8.190 nan 0.000 0.447 319 E N -0.279 119.923 120.200 0.003 0.000 2.085 319 E HA -0.285 4.065 4.350 -0.000 0.000 0.194 319 E C 1.815 178.436 176.600 0.036 0.000 0.994 319 E CA 1.482 57.873 56.400 -0.016 0.000 0.801 319 E CB -0.266 29.395 29.700 -0.064 0.000 0.743 319 E HN 0.565 nan 8.360 nan 0.000 0.453 320 D N -0.522 119.889 120.400 0.018 0.000 2.392 320 D HA -0.051 4.589 4.640 -0.000 0.000 0.228 320 D C 1.123 177.421 176.300 -0.004 0.000 1.003 320 D CA 0.799 54.806 54.000 0.011 0.000 0.917 320 D CB 0.030 40.829 40.800 -0.001 0.000 0.890 320 D HN 0.204 nan 8.370 nan 0.000 0.532 321 G N -1.585 107.226 108.800 0.019 0.000 3.528 321 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.266 321 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.266 321 G C 0.811 175.720 174.900 0.016 0.000 1.004 321 G CA -0.352 44.725 45.100 -0.039 0.000 0.853 321 G HN 0.162 nan 8.290 nan 0.000 0.501 322 F N 2.190 122.096 119.950 -0.073 0.000 2.043 322 F HA -0.226 4.301 4.527 -0.000 0.000 0.297 322 F C 2.682 178.451 175.800 -0.053 0.000 1.118 322 F CA 2.060 60.028 58.000 -0.054 0.000 1.202 322 F CB -0.460 38.519 39.000 -0.035 0.000 0.965 322 F HN 0.004 nan 8.300 nan 0.000 0.482 323 V N 0.905 120.806 119.914 -0.023 0.000 2.357 323 V HA -0.299 3.821 4.120 -0.000 0.000 0.257 323 V C 1.335 177.329 176.094 -0.166 0.000 1.082 323 V CA 1.506 63.746 62.300 -0.100 0.000 1.078 323 V CB -0.923 30.903 31.823 0.004 0.000 0.663 323 V HN 0.180 nan 8.190 nan 0.000 0.455 324 I N 0.471 120.936 120.570 -0.175 0.000 2.312 324 I HA 0.210 4.380 4.170 -0.000 0.000 0.291 324 I C 0.708 176.724 176.117 -0.169 0.000 1.031 324 I CA 0.085 61.287 61.300 -0.162 0.000 1.293 324 I CB 1.289 39.165 38.000 -0.206 0.000 1.403 324 I HN 0.117 nan 8.210 nan 0.000 0.484 325 Q N 4.039 123.748 119.800 -0.152 0.000 2.159 325 Q HA 0.134 4.474 4.340 -0.000 0.000 0.217 325 Q C -1.196 174.751 176.000 -0.089 0.000 0.818 325 Q CA -0.067 55.650 55.803 -0.144 0.000 1.008 325 Q CB 0.417 29.042 28.738 -0.189 0.000 1.148 325 Q HN 0.826 nan 8.270 nan 0.000 0.491 326 D N -3.451 116.909 120.400 -0.067 0.000 2.622 326 D HA 0.168 4.808 4.640 -0.000 0.000 0.255 326 D C 0.234 176.517 176.300 -0.028 0.000 1.246 326 D CA -0.740 53.235 54.000 -0.042 0.000 0.795 326 D CB 0.576 41.354 40.800 -0.035 0.000 1.369 326 D HN -0.093 nan 8.370 nan 0.000 0.425 327 R N 0.134 120.623 120.500 -0.018 0.000 2.096 327 R HA -0.171 4.169 4.340 -0.000 0.000 0.240 327 R C 1.387 177.686 176.300 -0.001 0.000 1.139 327 R CA 1.878 57.972 56.100 -0.010 0.000 0.952 327 R CB -0.027 30.270 30.300 -0.006 0.000 0.854 327 R HN 0.624 nan 8.270 nan 0.000 0.436 328 E N -0.888 119.313 120.200 0.002 0.000 2.077 328 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 328 E C 1.821 178.436 176.600 0.026 0.000 0.989 328 E CA 1.781 58.188 56.400 0.013 0.000 0.800 328 E CB 0.019 29.725 29.700 0.010 0.000 0.746 328 E HN 0.435 nan 8.360 nan 0.000 0.452 329 T N 0.799 115.365 114.554 0.020 0.000 2.915 329 T HA -0.062 4.288 4.350 -0.000 0.000 0.269 329 T C 1.875 176.617 174.700 0.071 0.000 1.071 329 T CA 0.933 63.058 62.100 0.041 0.000 1.132 329 T CB -0.026 68.850 68.868 0.014 0.000 0.878 329 T HN 0.195 nan 8.240 nan 0.000 0.479 330 A N 1.297 124.135 122.820 0.030 0.000 1.872 330 A HA 0.132 4.452 4.320 -0.000 0.000 0.214 330 A C 2.237 179.873 177.584 0.086 0.000 1.187 330 A CA 0.898 52.951 52.037 0.026 0.000 0.614 330 A CB -0.718 18.268 19.000 -0.023 0.000 0.826 330 A HN 0.443 nan 8.150 nan 0.000 0.442 331 L N -0.516 120.740 121.223 0.056 0.000 2.093 331 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 331 L C 2.375 179.298 176.870 0.088 0.000 1.085 331 L CA 1.544 56.418 54.840 0.057 0.000 0.755 331 L CB -0.414 41.664 42.059 0.032 0.000 0.904 331 L HN 0.423 nan 8.230 nan 0.000 0.435 332 D N -0.198 120.258 120.400 0.092 0.000 2.144 332 D HA -0.224 4.416 4.640 -0.000 0.000 0.200 332 D C 2.104 178.465 176.300 0.102 0.000 0.978 332 D CA 0.940 54.989 54.000 0.082 0.000 0.833 332 D CB 0.117 40.956 40.800 0.064 0.000 0.961 332 D HN 0.214 nan 8.370 nan 0.000 0.470 333 F N 1.488 121.441 119.950 0.004 0.000 2.065 333 F HA -0.214 4.313 4.527 -0.000 0.000 0.298 333 F C 2.301 178.109 175.800 0.013 0.000 1.112 333 F CA 1.509 59.511 58.000 0.004 0.000 1.212 333 F CB -0.272 38.726 39.000 -0.003 0.000 0.975 333 F HN -0.081 nan 8.300 nan 0.000 0.476 334 I N -0.223 120.489 120.570 0.237 0.000 2.163 334 I HA -0.214 3.956 4.170 -0.000 0.000 0.240 334 I C 2.799 178.964 176.117 0.081 0.000 1.081 334 I CA 1.363 62.746 61.300 0.138 0.000 1.353 334 I CB -1.455 36.613 38.000 0.114 0.000 1.054 334 I HN 0.285 nan 8.210 nan 0.000 0.407 335 G N 0.827 109.687 108.800 0.101 0.000 2.469 335 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 335 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 335 G C 1.805 176.743 174.900 0.063 0.000 1.136 335 G CA 0.578 45.762 45.100 0.141 0.000 0.759 335 G HN 0.317 nan 8.290 nan 0.000 0.562 336 R N -0.069 120.422 120.500 -0.015 0.000 2.189 336 R HA 0.033 4.373 4.340 -0.000 0.000 0.223 336 R C 1.940 178.190 176.300 -0.084 0.000 1.092 336 R CA 0.505 56.562 56.100 -0.070 0.000 0.989 336 R CB -0.046 30.182 30.300 -0.119 0.000 0.876 336 R HN 0.263 nan 8.270 nan 0.000 0.457 337 R N -0.255 120.198 120.500 -0.080 0.000 2.356 337 R HA 0.105 4.445 4.340 -0.000 0.000 0.234 337 R C 1.029 177.348 176.300 0.033 0.000 0.929 337 R CA 0.485 56.551 56.100 -0.057 0.000 1.084 337 R CB 0.703 30.957 30.300 -0.077 0.000 1.105 337 R HN 0.175 nan 8.270 nan 0.000 0.515 338 G N -0.092 108.746 108.800 0.063 0.000 4.213 338 G HA2 0.069 4.029 3.960 -0.000 0.000 0.274 338 G HA3 0.069 4.029 3.960 -0.000 0.000 0.274 338 G C -0.188 174.657 174.900 -0.091 0.000 1.033 338 G CA 0.051 45.234 45.100 0.138 0.000 0.822 338 G HN 0.043 nan 8.290 nan 0.000 0.432 339 T N 0.289 114.770 114.554 -0.121 0.000 2.906 339 T HA 0.694 5.044 4.350 -0.000 0.000 0.295 339 T C 0.099 174.727 174.700 -0.120 0.000 1.075 339 T CA 0.155 62.133 62.100 -0.204 0.000 1.005 339 T CB 1.950 70.701 68.868 -0.195 0.000 1.136 339 T HN 0.382 nan 8.240 nan 0.000 0.498 340 A N 1.058 123.807 122.820 -0.118 0.000 2.280 340 A HA 0.539 4.859 4.320 -0.000 0.000 0.268 340 A C 1.207 178.753 177.584 -0.064 0.000 1.111 340 A CA -0.325 51.666 52.037 -0.076 0.000 0.814 340 A CB -0.115 18.844 19.000 -0.068 0.000 1.093 340 A HN 0.787 nan 8.150 nan 0.000 0.498 341 L N 0.237 121.431 121.223 -0.048 0.000 2.465 341 L HA 0.143 4.483 4.340 -0.000 0.000 0.224 341 L C 1.759 178.607 176.870 -0.037 0.000 1.145 341 L CA 2.240 57.056 54.840 -0.041 0.000 0.834 341 L CB -0.472 41.567 42.059 -0.032 0.000 0.944 341 L HN 0.713 nan 8.230 nan 0.000 0.451 342 G N -0.917 107.860 108.800 -0.038 0.000 3.233 342 G HA2 0.196 4.156 3.960 -0.000 0.000 0.234 342 G HA3 0.196 4.156 3.960 -0.000 0.000 0.234 342 G C 0.637 175.515 174.900 -0.036 0.000 1.137 342 G CA -0.334 44.746 45.100 -0.033 0.000 0.763 342 G HN 0.262 nan 8.290 nan 0.000 0.549 343 I N 1.181 121.723 120.570 -0.046 0.000 2.472 343 I HA 0.173 4.343 4.170 -0.000 0.000 0.290 343 I C 0.050 176.147 176.117 -0.034 0.000 1.016 343 I CA -0.523 60.748 61.300 -0.048 0.000 1.348 343 I CB 1.386 39.341 38.000 -0.074 0.000 1.417 343 I HN -0.026 nan 8.210 nan 0.000 0.521 344 K N 5.558 125.943 120.400 -0.025 0.000 2.350 344 K HA 0.066 4.386 4.320 -0.000 0.000 0.279 344 K C 0.880 177.475 176.600 -0.007 0.000 1.027 344 K CA -0.356 55.922 56.287 -0.014 0.000 0.969 344 K CB 0.964 33.458 32.500 -0.010 0.000 0.954 344 K HN 0.453 nan 8.250 nan 0.000 0.474 345 K N 2.679 123.078 120.400 -0.002 0.000 2.066 345 K HA -0.347 3.972 4.320 -0.000 0.000 0.221 345 K C 1.412 178.020 176.600 0.014 0.000 1.056 345 K CA 2.138 58.429 56.287 0.006 0.000 0.950 345 K CB 0.046 32.550 32.500 0.007 0.000 0.726 345 K HN 0.587 nan 8.250 nan 0.000 0.456 346 E N 0.105 120.312 120.200 0.012 0.000 2.049 346 E HA -0.239 4.111 4.350 -0.000 0.000 0.198 346 E C 2.132 178.747 176.600 0.025 0.000 1.007 346 E CA 1.733 58.143 56.400 0.017 0.000 0.809 346 E CB -0.025 29.683 29.700 0.012 0.000 0.749 346 E HN 0.281 nan 8.360 nan 0.000 0.450 347 K N 0.334 120.745 120.400 0.017 0.000 2.089 347 K HA -0.209 4.111 4.320 -0.000 0.000 0.210 347 K C 2.233 178.862 176.600 0.048 0.000 1.048 347 K CA 1.440 57.741 56.287 0.023 0.000 0.926 347 K CB -0.083 32.414 32.500 -0.004 0.000 0.714 347 K HN 0.062 nan 8.250 nan 0.000 0.448 348 R N 0.511 121.032 120.500 0.034 0.000 2.075 348 R HA -0.095 4.245 4.340 -0.000 0.000 0.230 348 R C 2.398 178.760 176.300 0.103 0.000 1.140 348 R CA 1.623 57.760 56.100 0.061 0.000 0.928 348 R CB -0.626 29.691 30.300 0.028 0.000 0.834 348 R HN 0.196 nan 8.270 nan 0.000 0.429 349 I N 1.095 121.704 120.570 0.065 0.000 2.236 349 I HA -0.326 3.844 4.170 -0.000 0.000 0.249 349 I C 2.689 178.842 176.117 0.060 0.000 1.102 349 I CA 1.326 62.660 61.300 0.057 0.000 1.365 349 I CB -0.329 37.693 38.000 0.037 0.000 1.051 349 I HN 0.224 nan 8.210 nan 0.000 0.420 350 Q N 0.502 120.343 119.800 0.068 0.000 2.046 350 Q HA -0.248 4.092 4.340 -0.000 0.000 0.200 350 Q C 2.112 178.162 176.000 0.083 0.000 0.975 350 Q CA 1.778 57.618 55.803 0.062 0.000 0.836 350 Q CB -0.615 28.159 28.738 0.059 0.000 0.896 350 Q HN 0.533 nan 8.270 nan 0.000 0.428 351 Y N 0.105 120.398 120.300 -0.012 0.000 2.165 351 Y HA -0.208 4.342 4.550 -0.000 0.000 0.286 351 Y C 2.002 177.899 175.900 -0.005 0.000 1.155 351 Y CA 1.876 59.967 58.100 -0.016 0.000 1.164 351 Y CB -0.626 37.823 38.460 -0.019 0.000 0.978 351 Y HN 0.201 nan 8.280 nan 0.000 0.513 352 A N -0.239 122.600 122.820 0.032 0.000 1.968 352 A HA -0.130 4.189 4.320 -0.000 0.000 0.217 352 A C 2.220 179.761 177.584 -0.071 0.000 1.169 352 A CA 1.548 53.562 52.037 -0.039 0.000 0.638 352 A CB -0.434 18.585 19.000 0.032 0.000 0.812 352 A HN 0.487 nan 8.150 nan 0.000 0.446 353 K N -0.099 120.278 120.400 -0.039 0.000 2.057 353 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 353 K C 1.358 177.927 176.600 -0.052 0.000 1.050 353 K CA 1.374 57.642 56.287 -0.032 0.000 0.935 353 K CB -0.210 32.285 32.500 -0.007 0.000 0.715 353 K HN 0.442 nan 8.250 nan 0.000 0.439 354 D N 1.047 121.396 120.400 -0.084 0.000 2.144 354 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 354 D C 1.955 178.178 176.300 -0.129 0.000 0.984 354 D CA 1.041 54.979 54.000 -0.105 0.000 0.834 354 D CB -0.072 40.651 40.800 -0.128 0.000 0.955 354 D HN 0.216 nan 8.370 nan 0.000 0.465 355 I N 0.766 121.219 120.570 -0.196 0.000 2.202 355 I HA -0.205 3.965 4.170 -0.000 0.000 0.242 355 I C 2.371 178.479 176.117 -0.014 0.000 1.091 355 I CA 0.702 61.916 61.300 -0.142 0.000 1.368 355 I CB -0.145 37.726 38.000 -0.214 0.000 1.058 355 I HN -0.058 nan 8.210 nan 0.000 0.410 356 L N 0.145 121.349 121.223 -0.032 0.000 2.362 356 L HA -0.169 4.171 4.340 -0.000 0.000 0.219 356 L C 2.455 179.414 176.870 0.148 0.000 1.134 356 L CA 0.887 55.752 54.840 0.042 0.000 0.807 356 L CB -0.385 41.631 42.059 -0.072 0.000 0.927 356 L HN 0.394 nan 8.230 nan 0.000 0.447 357 Q N -0.001 119.832 119.800 0.056 0.000 2.391 357 Q HA -0.051 4.289 4.340 -0.000 0.000 0.211 357 Q C 1.445 177.449 176.000 0.006 0.000 0.908 357 Q CA 0.661 56.486 55.803 0.037 0.000 0.920 357 Q CB 0.539 29.280 28.738 0.006 0.000 1.056 357 Q HN 0.445 nan 8.270 nan 0.000 0.523 358 K N -1.190 119.211 120.400 0.001 0.000 2.511 358 K HA 0.117 4.437 4.320 -0.000 0.000 0.206 358 K C 1.128 177.729 176.600 0.002 0.000 1.333 358 K CA 0.052 56.319 56.287 -0.033 0.000 0.957 358 K CB 0.792 33.243 32.500 -0.081 0.000 1.172 358 K HN -0.075 nan 8.250 nan 0.000 0.547 359 E N 0.202 120.441 120.200 0.065 0.000 2.415 359 E HA 0.080 4.430 4.350 -0.000 0.000 0.197 359 E C -0.497 176.215 176.600 0.188 0.000 1.007 359 E CA 0.108 56.581 56.400 0.123 0.000 0.890 359 E CB 0.311 30.118 29.700 0.178 0.000 0.891 359 E HN 0.034 nan 8.360 nan 0.000 0.496 360 F N 1.690 121.641 119.950 0.002 0.000 2.405 360 F HA 0.246 4.773 4.527 -0.000 0.000 0.355 360 F C 0.589 176.390 175.800 0.001 0.000 1.121 360 F CA -1.137 56.869 58.000 0.010 0.000 1.112 360 F CB 0.346 39.344 39.000 -0.004 0.000 1.126 360 F HN -0.107 nan 8.300 nan 0.000 0.481 361 L N 7.973 128.953 121.223 -0.405 0.000 3.965 361 L HA -0.239 4.101 4.340 -0.000 0.000 0.476 361 L C -1.452 175.269 176.870 -0.250 0.000 1.201 361 L CA -0.209 54.395 54.840 -0.393 0.000 0.710 361 L CB -0.917 40.697 42.059 -0.743 0.000 1.509 361 L HN 0.552 nan 8.230 nan 0.000 0.815 362 P HA -0.203 nan 4.420 nan 0.000 0.222 362 P C 1.429 178.689 177.300 -0.066 0.000 1.147 362 P CA 1.875 64.939 63.100 -0.060 0.000 0.790 362 P CB -0.188 31.518 31.700 0.010 0.000 0.780 363 H N -0.248 118.744 119.070 -0.130 0.000 2.457 363 H HA 0.024 4.580 4.556 -0.000 0.000 0.294 363 H C 1.850 177.081 175.328 -0.162 0.000 1.064 363 H CA 0.558 56.536 56.048 -0.116 0.000 1.330 363 H CB -1.037 28.666 29.762 -0.099 0.000 1.395 363 H HN 0.142 nan 8.280 nan 0.000 0.541 364 I N 1.107 121.210 120.570 -0.777 0.000 2.130 364 I HA -0.087 4.083 4.170 -0.000 0.000 0.234 364 I C 0.532 176.432 176.117 -0.360 0.000 1.067 364 I CA 1.332 62.255 61.300 -0.627 0.000 1.339 364 I CB 0.021 37.648 38.000 -0.621 0.000 1.073 364 I HN 0.191 nan 8.210 nan 0.000 0.405 365 T N -1.109 113.256 114.554 -0.315 0.000 2.821 365 T HA 0.279 4.629 4.350 -0.000 0.000 0.306 365 T C -0.306 174.257 174.700 -0.228 0.000 1.313 365 T CA -0.614 61.285 62.100 -0.334 0.000 1.012 365 T CB 2.291 70.826 68.868 -0.556 0.000 1.298 365 T HN 0.095 nan 8.240 nan 0.000 0.502 366 Q N 0.390 120.060 119.800 -0.216 0.000 2.140 366 Q HA 0.309 4.648 4.340 -0.000 0.000 0.227 366 Q C 0.512 176.439 176.000 -0.122 0.000 0.798 366 Q CA -0.035 55.687 55.803 -0.135 0.000 0.987 366 Q CB 0.774 29.446 28.738 -0.110 0.000 1.161 366 Q HN 0.536 nan 8.270 nan 0.000 0.480 367 L N 0.060 121.172 121.223 -0.186 0.000 2.739 367 L HA 0.148 4.488 4.340 -0.000 0.000 0.175 367 L C 1.599 178.463 176.870 -0.011 0.000 1.140 367 L CA -0.134 54.633 54.840 -0.122 0.000 1.033 367 L CB 0.150 42.083 42.059 -0.209 0.000 1.834 367 L HN 0.002 nan 8.230 nan 0.000 0.498 368 E N 0.374 120.627 120.200 0.087 0.000 2.067 368 E HA 0.029 4.378 4.350 -0.000 0.000 0.194 368 E C 1.497 178.240 176.600 0.238 0.000 0.950 368 E CA 0.558 57.039 56.400 0.135 0.000 0.872 368 E CB -0.289 29.466 29.700 0.090 0.000 0.877 368 E HN 0.788 nan 8.360 nan 0.000 0.470 369 G N 0.959 109.925 108.800 0.277 0.000 3.327 369 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.218 369 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.218 369 G C -0.284 174.630 174.900 0.023 0.000 1.261 369 G CA 0.229 45.412 45.100 0.138 0.000 1.438 369 G HN 0.028 nan 8.290 nan 0.000 0.530 370 F N -0.508 119.442 119.950 -0.000 0.000 2.679 370 F HA 0.340 4.867 4.527 -0.000 0.000 0.354 370 F C 1.044 176.852 175.800 0.013 0.000 1.423 370 F CA -1.095 56.902 58.000 -0.005 0.000 1.141 370 F CB 0.925 39.904 39.000 -0.035 0.000 1.168 370 F HN 0.162 nan 8.300 nan 0.000 0.530 371 E N -0.530 119.744 120.200 0.122 0.000 2.318 371 E HA -0.072 4.278 4.350 -0.000 0.000 0.193 371 E C 2.173 178.833 176.600 0.100 0.000 0.998 371 E CA 0.936 57.400 56.400 0.107 0.000 0.859 371 E CB 0.177 29.919 29.700 0.069 0.000 0.812 371 E HN 0.347 nan 8.360 nan 0.000 0.492 372 S N 0.476 116.234 115.700 0.096 0.000 2.436 372 S HA -0.002 4.468 4.470 -0.000 0.000 0.228 372 S C 1.891 176.650 174.600 0.265 0.000 1.014 372 S CA 0.159 58.463 58.200 0.174 0.000 0.950 372 S CB 0.015 63.324 63.200 0.182 0.000 0.784 372 S HN 0.088 nan 8.310 nan 0.000 0.504 373 R N 1.449 122.048 120.500 0.165 0.000 2.075 373 R HA 0.098 4.438 4.340 -0.000 0.000 0.232 373 R C 2.282 178.704 176.300 0.204 0.000 1.126 373 R CA 1.306 57.493 56.100 0.144 0.000 0.963 373 R CB -0.210 30.157 30.300 0.111 0.000 0.858 373 R HN 0.472 nan 8.270 nan 0.000 0.435 374 K N 0.088 120.590 120.400 0.169 0.000 2.167 374 K HA 0.037 4.357 4.320 -0.000 0.000 0.203 374 K C 2.109 178.851 176.600 0.236 0.000 1.052 374 K CA 0.913 57.292 56.287 0.154 0.000 0.956 374 K CB 0.027 32.597 32.500 0.116 0.000 0.735 374 K HN 0.088 nan 8.250 nan 0.000 0.451 375 A N 1.024 123.950 122.820 0.177 0.000 1.877 375 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 375 A C 1.935 179.718 177.584 0.332 0.000 1.186 375 A CA 1.237 53.313 52.037 0.064 0.000 0.620 375 A CB -0.777 18.166 19.000 -0.096 0.000 0.822 375 A HN 0.201 nan 8.150 nan 0.000 0.443 376 F N -1.921 118.309 119.950 0.467 0.000 2.216 376 F HA -0.105 4.422 4.527 -0.000 0.000 0.300 376 F C 2.021 178.240 175.800 0.697 0.000 1.085 376 F CA 1.485 59.831 58.000 0.575 0.000 1.326 376 F CB -0.267 38.808 39.000 0.124 0.000 1.027 376 F HN 0.337 nan 8.300 nan 0.000 0.497 377 F N -0.137 120.186 119.950 0.621 0.000 2.163 377 F HA -0.154 4.372 4.527 -0.000 0.000 0.297 377 F C 2.146 178.250 175.800 0.506 0.000 1.094 377 F CA 0.945 59.304 58.000 0.597 0.000 1.290 377 F CB -0.335 38.866 39.000 0.335 0.000 1.017 377 F HN -0.091 nan 8.300 nan 0.000 0.483 378 L N 0.397 121.940 121.223 0.534 0.000 2.083 378 L HA 0.025 4.365 4.340 -0.000 0.000 0.209 378 L C 2.341 179.454 176.870 0.405 0.000 1.083 378 L CA 2.246 57.312 54.840 0.377 0.000 0.752 378 L CB -1.497 40.669 42.059 0.180 0.000 0.899 378 L HN 0.145 nan 8.230 nan 0.000 0.433 379 G N -1.630 107.512 108.800 0.570 0.000 2.422 379 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.218 379 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.218 379 G C 1.548 176.735 174.900 0.478 0.000 1.146 379 G CA 0.890 46.361 45.100 0.618 0.000 0.769 379 G HN 0.557 nan 8.290 nan 0.000 0.547 380 Y N 0.947 121.487 120.300 0.400 0.000 2.242 380 Y HA 0.010 4.560 4.550 -0.000 0.000 0.291 380 Y C 2.756 178.680 175.900 0.040 0.000 1.137 380 Y CA 1.480 59.710 58.100 0.218 0.000 1.181 380 Y CB -0.112 38.339 38.460 -0.014 0.000 0.989 380 Y HN 0.151 nan 8.280 nan 0.000 0.527 381 M N -0.675 118.888 119.600 -0.061 0.000 2.132 381 M HA -0.162 4.318 4.480 -0.000 0.000 0.263 381 M C 2.105 178.353 176.300 -0.087 0.000 1.065 381 M CA 1.728 56.943 55.300 -0.141 0.000 1.122 381 M CB -0.386 32.247 32.600 0.055 0.000 1.365 381 M HN 0.257 nan 8.290 nan 0.000 0.411 382 I N 0.398 120.994 120.570 0.042 0.000 2.208 382 I HA -0.323 3.847 4.170 -0.000 0.000 0.245 382 I C 2.181 178.270 176.117 -0.047 0.000 1.097 382 I CA 1.373 62.697 61.300 0.040 0.000 1.363 382 I CB -0.702 37.378 38.000 0.134 0.000 1.051 382 I HN 0.389 nan 8.210 nan 0.000 0.413 383 N N 1.371 120.031 118.700 -0.067 0.000 2.025 383 N HA -0.210 4.530 4.740 -0.000 0.000 0.194 383 N C 2.014 177.420 175.510 -0.173 0.000 1.044 383 N CA 1.714 54.694 53.050 -0.118 0.000 0.851 383 N CB -0.107 38.345 38.487 -0.058 0.000 1.036 383 N HN 0.103 nan 8.380 nan 0.000 0.422 384 R N -0.490 119.835 120.500 -0.292 0.000 2.159 384 R HA -0.113 4.227 4.340 -0.000 0.000 0.237 384 R C 2.043 178.215 176.300 -0.214 0.000 1.131 384 R CA 1.042 56.962 56.100 -0.300 0.000 0.982 384 R CB -0.477 29.537 30.300 -0.477 0.000 0.868 384 R HN 0.343 nan 8.270 nan 0.000 0.453 385 L N 0.834 121.950 121.223 -0.179 0.000 2.056 385 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 385 L C 1.848 178.611 176.870 -0.177 0.000 1.078 385 L CA 1.669 56.425 54.840 -0.140 0.000 0.749 385 L CB -0.244 41.768 42.059 -0.077 0.000 0.901 385 L HN 0.095 nan 8.230 nan 0.000 0.433 386 L N -1.328 119.800 121.223 -0.158 0.000 2.156 386 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 386 L C 2.369 179.132 176.870 -0.179 0.000 1.095 386 L CA 0.285 55.021 54.840 -0.173 0.000 0.770 386 L CB -0.585 41.394 42.059 -0.133 0.000 0.914 386 L HN 0.290 nan 8.230 nan 0.000 0.439 387 L N -0.551 120.579 121.223 -0.156 0.000 2.261 387 L HA -0.242 4.098 4.340 -0.000 0.000 0.216 387 L C 2.447 179.238 176.870 -0.132 0.000 1.114 387 L CA 1.421 56.182 54.840 -0.132 0.000 0.777 387 L CB -0.717 41.272 42.059 -0.117 0.000 0.910 387 L HN 0.372 nan 8.230 nan 0.000 0.440 388 C N -1.879 117.323 119.300 -0.163 0.000 2.541 388 C HA 0.190 4.650 4.460 -0.000 0.000 0.284 388 C C 2.917 177.772 174.990 -0.224 0.000 1.341 388 C CA 0.451 59.384 59.018 -0.141 0.000 1.732 388 C CB -0.842 26.836 27.740 -0.102 0.000 2.126 388 C HN 0.563 nan 8.230 nan 0.000 0.505 389 A N 0.269 122.812 122.820 -0.462 0.000 2.019 389 A HA 0.041 4.361 4.320 -0.000 0.000 0.219 389 A C 1.897 179.352 177.584 -0.215 0.000 1.164 389 A CA 1.227 52.925 52.037 -0.565 0.000 0.644 389 A CB -0.618 18.000 19.000 -0.636 0.000 0.805 389 A HN 0.680 nan 8.150 nan 0.000 0.449 390 L N -0.825 120.291 121.223 -0.177 0.000 2.612 390 L HA 0.037 4.377 4.340 -0.000 0.000 0.230 390 L C -0.254 176.562 176.870 -0.091 0.000 1.140 390 L CA 0.142 54.904 54.840 -0.129 0.000 0.896 390 L CB -0.502 41.468 42.059 -0.148 0.000 1.065 390 L HN 0.329 nan 8.230 nan 0.000 0.447 391 D N 0.071 120.429 120.400 -0.070 0.000 2.772 391 D HA -0.213 4.427 4.640 -0.000 0.000 0.233 391 D C 1.121 177.396 176.300 -0.040 0.000 1.143 391 D CA 0.649 54.628 54.000 -0.035 0.000 0.700 391 D CB -0.411 40.379 40.800 -0.018 0.000 1.076 391 D HN 0.338 nan 8.370 nan 0.000 0.430 392 R N -0.705 119.762 120.500 -0.055 0.000 2.335 392 R HA 0.175 4.515 4.340 -0.000 0.000 0.210 392 R C 0.398 176.674 176.300 -0.040 0.000 0.892 392 R CA 0.103 56.174 56.100 -0.049 0.000 1.048 392 R CB 0.676 30.938 30.300 -0.063 0.000 1.067 392 R HN -0.071 nan 8.270 nan 0.000 0.524 393 K N 0.718 121.093 120.400 -0.042 0.000 2.502 393 K HA 0.268 4.587 4.320 -0.000 0.000 0.257 393 K C -1.393 175.196 176.600 -0.019 0.000 0.938 393 K CA -0.684 55.581 56.287 -0.036 0.000 0.819 393 K CB 2.224 34.690 32.500 -0.057 0.000 1.333 393 K HN -0.145 nan 8.250 nan 0.000 0.434 394 D N 2.079 122.475 120.400 -0.006 0.000 2.255 394 D HA 0.062 4.702 4.640 -0.000 0.000 0.249 394 D C 0.237 176.547 176.300 0.016 0.000 1.078 394 D CA -0.172 53.838 54.000 0.017 0.000 0.896 394 D CB 1.150 41.966 40.800 0.027 0.000 1.194 394 D HN 0.314 nan 8.370 nan 0.000 0.429 395 Q N 1.483 121.312 119.800 0.048 0.000 2.386 395 Q HA 0.011 4.350 4.340 -0.000 0.000 0.282 395 Q C -0.426 175.607 176.000 0.055 0.000 1.050 395 Q CA -0.084 55.750 55.803 0.052 0.000 0.918 395 Q CB 0.683 29.507 28.738 0.143 0.000 1.266 395 Q HN 0.271 nan 8.270 nan 0.000 0.423 396 D N 1.940 122.328 120.400 -0.020 0.000 2.419 396 D HA -0.060 4.580 4.640 -0.000 0.000 0.236 396 D C -0.560 175.851 176.300 0.186 0.000 1.165 396 D CA 0.442 54.454 54.000 0.020 0.000 0.882 396 D CB 0.544 41.273 40.800 -0.117 0.000 1.201 396 D HN 0.562 nan 8.370 nan 0.000 0.443 397 D N 1.180 121.669 120.400 0.148 0.000 2.365 397 D HA 0.034 4.674 4.640 -0.000 0.000 0.237 397 D C 0.857 177.244 176.300 0.145 0.000 1.190 397 D CA -0.307 53.791 54.000 0.163 0.000 0.867 397 D CB 0.378 41.288 40.800 0.184 0.000 1.050 397 D HN 0.198 nan 8.370 nan 0.000 0.491 398 R N 2.302 122.891 120.500 0.147 0.000 2.341 398 R HA -0.048 4.292 4.340 -0.000 0.000 0.213 398 R C 0.112 176.411 176.300 -0.002 0.000 1.082 398 R CA 0.675 56.825 56.100 0.083 0.000 1.017 398 R CB 0.375 30.663 30.300 -0.019 0.000 0.860 398 R HN 0.404 nan 8.270 nan 0.000 0.473 399 D N -0.646 119.716 120.400 -0.063 0.000 2.395 399 D HA -0.023 4.617 4.640 -0.000 0.000 0.213 399 D C -0.081 175.894 176.300 -0.543 0.000 1.110 399 D CA 0.075 53.940 54.000 -0.224 0.000 0.835 399 D CB 0.129 40.817 40.800 -0.187 0.000 0.965 399 D HN 0.159 nan 8.370 nan 0.000 0.505 400 H N 0.768 119.590 119.070 -0.413 0.000 2.955 400 H HA -0.054 4.502 4.556 -0.000 0.000 0.290 400 H C 0.617 175.858 175.328 -0.144 0.000 1.047 400 H CA -0.022 55.834 56.048 -0.321 0.000 1.484 400 H CB 0.252 29.956 29.762 -0.096 0.000 1.501 400 H HN -0.037 nan 8.280 nan 0.000 0.521 401 F N 3.918 123.733 119.950 -0.226 0.000 2.333 401 F HA -0.043 4.484 4.527 -0.000 0.000 0.300 401 F C 2.274 178.122 175.800 0.081 0.000 1.083 401 F CA 1.429 59.396 58.000 -0.055 0.000 1.395 401 F CB -0.139 38.831 39.000 -0.051 0.000 1.056 401 F HN 0.717 nan 8.300 nan 0.000 0.529 402 G N -0.666 108.360 108.800 0.377 0.000 2.509 402 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 402 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 402 G C 1.489 176.312 174.900 -0.129 0.000 1.124 402 G CA 0.337 45.518 45.100 0.135 0.000 0.776 402 G HN 0.322 nan 8.290 nan 0.000 0.547 403 K N -0.257 120.077 120.400 -0.110 0.000 2.414 403 K HA 0.201 4.521 4.320 -0.000 0.000 0.204 403 K C 0.401 176.887 176.600 -0.190 0.000 1.026 403 K CA -0.196 55.980 56.287 -0.185 0.000 1.108 403 K CB 0.558 32.972 32.500 -0.144 0.000 0.855 403 K HN 0.018 nan 8.250 nan 0.000 0.517 404 K N 0.909 121.138 120.400 -0.284 0.000 2.267 404 K HA 0.458 4.778 4.320 -0.000 0.000 0.236 404 K C -0.013 176.379 176.600 -0.346 0.000 1.030 404 K CA -0.680 55.406 56.287 -0.336 0.000 0.930 404 K CB 0.997 33.171 32.500 -0.543 0.000 1.182 404 K HN -0.138 nan 8.250 nan 0.000 0.474 405 R N 0.546 120.872 120.500 -0.288 0.000 2.594 405 R HA 0.401 4.741 4.340 -0.000 0.000 0.265 405 R C -1.012 175.188 176.300 -0.167 0.000 1.070 405 R CA -0.619 55.354 56.100 -0.211 0.000 0.909 405 R CB 1.014 31.234 30.300 -0.133 0.000 1.243 405 R HN 0.465 nan 8.270 nan 0.000 0.455 406 L N 2.782 123.928 121.223 -0.128 0.000 2.294 406 L HA 0.389 4.729 4.340 -0.000 0.000 0.283 406 L C -0.346 176.481 176.870 -0.073 0.000 1.015 406 L CA -0.805 53.984 54.840 -0.084 0.000 0.831 406 L CB 1.562 43.592 42.059 -0.048 0.000 1.217 406 L HN 0.325 nan 8.230 nan 0.000 0.420 407 D N 4.340 124.689 120.400 -0.084 0.000 2.264 407 D HA 0.555 5.195 4.640 -0.000 0.000 0.250 407 D C -0.023 176.211 176.300 -0.110 0.000 1.113 407 D CA 0.037 53.982 54.000 -0.091 0.000 0.871 407 D CB 2.567 43.303 40.800 -0.106 0.000 1.167 407 D HN 0.278 nan 8.370 nan 0.000 0.447 408 L N 0.755 121.925 121.223 -0.088 0.000 2.216 408 L HA 0.474 4.814 4.340 -0.000 0.000 0.260 408 L C 1.777 178.602 176.870 -0.074 0.000 1.036 408 L CA -0.824 53.968 54.840 -0.081 0.000 0.914 408 L CB 0.755 42.792 42.059 -0.038 0.000 1.501 408 L HN 0.381 nan 8.230 nan 0.000 0.485 409 A N 0.471 123.283 122.820 -0.014 0.000 1.893 409 A HA -0.262 4.057 4.320 -0.000 0.000 0.222 409 A C 1.964 179.540 177.584 -0.013 0.000 1.309 409 A CA 2.809 54.884 52.037 0.063 0.000 0.681 409 A CB -1.841 17.302 19.000 0.239 0.000 0.842 409 A HN 0.970 nan 8.150 nan 0.000 0.468 410 G N -0.339 108.461 108.800 0.001 0.000 2.587 410 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.217 410 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.217 410 G C -0.156 174.651 174.900 -0.155 0.000 1.240 410 G CA 1.457 46.476 45.100 -0.134 0.000 0.794 410 G HN 0.510 nan 8.290 nan 0.000 0.580 411 P HA -0.082 nan 4.420 nan 0.000 0.216 411 P C 2.140 179.440 177.300 -0.001 0.000 1.153 411 P CA 0.874 63.976 63.100 0.003 0.000 0.858 411 P CB -0.153 31.544 31.700 -0.005 0.000 0.789 412 L N -1.500 119.691 121.223 -0.053 0.000 1.989 412 L HA -0.179 4.161 4.340 -0.000 0.000 0.211 412 L C 2.451 179.492 176.870 0.284 0.000 1.071 412 L CA 1.416 56.251 54.840 -0.009 0.000 0.749 412 L CB -1.053 40.804 42.059 -0.336 0.000 0.890 412 L HN -0.052 nan 8.230 nan 0.000 0.431 413 L N -0.537 120.714 121.223 0.047 0.000 2.450 413 L HA -0.158 4.182 4.340 -0.000 0.000 0.224 413 L C 2.442 179.264 176.870 -0.079 0.000 1.149 413 L CA 0.608 55.399 54.840 -0.082 0.000 0.816 413 L CB -0.364 41.380 42.059 -0.525 0.000 0.932 413 L HN 0.266 nan 8.230 nan 0.000 0.449 414 A N -1.249 121.579 122.820 0.013 0.000 2.081 414 A HA -0.067 4.253 4.320 -0.000 0.000 0.214 414 A C 2.106 179.856 177.584 0.276 0.000 1.158 414 A CA 0.309 52.521 52.037 0.291 0.000 0.724 414 A CB 0.009 19.189 19.000 0.301 0.000 0.826 414 A HN 0.411 nan 8.150 nan 0.000 0.463 415 Q N -0.149 119.789 119.800 0.230 0.000 2.062 415 Q HA 0.016 4.356 4.340 -0.000 0.000 0.196 415 Q C 1.930 178.021 176.000 0.151 0.000 0.967 415 Q CA 1.224 57.144 55.803 0.194 0.000 0.832 415 Q CB -0.280 28.598 28.738 0.233 0.000 0.899 415 Q HN 0.638 nan 8.270 nan 0.000 0.442 416 L N -0.333 120.965 121.223 0.125 0.000 2.017 416 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 416 L C 2.336 179.253 176.870 0.077 0.000 1.073 416 L CA 1.066 55.898 54.840 -0.013 0.000 0.745 416 L CB -0.464 41.474 42.059 -0.200 0.000 0.894 416 L HN 0.173 nan 8.230 nan 0.000 0.432 417 F N 0.818 120.804 119.950 0.060 0.000 2.216 417 F HA -0.181 4.346 4.527 -0.000 0.000 0.300 417 F C 2.431 178.300 175.800 0.116 0.000 1.085 417 F CA 1.434 59.495 58.000 0.102 0.000 1.326 417 F CB -0.037 39.090 39.000 0.212 0.000 1.027 417 F HN -0.113 nan 8.300 nan 0.000 0.497 418 K N -0.459 120.089 120.400 0.246 0.000 1.973 418 K HA -0.130 4.190 4.320 -0.000 0.000 0.210 418 K C 1.990 178.618 176.600 0.047 0.000 1.045 418 K CA 1.973 58.364 56.287 0.174 0.000 0.937 418 K CB -0.790 31.813 32.500 0.172 0.000 0.721 418 K HN 0.095 nan 8.250 nan 0.000 0.438 419 T N 2.230 116.799 114.554 0.026 0.000 2.714 419 T HA -0.181 4.168 4.350 -0.000 0.000 0.268 419 T C 1.740 176.398 174.700 -0.070 0.000 1.036 419 T CA 1.330 63.416 62.100 -0.023 0.000 1.148 419 T CB -0.182 68.670 68.868 -0.026 0.000 0.856 419 T HN 0.135 nan 8.240 nan 0.000 0.462 420 L N -0.864 120.293 121.223 -0.110 0.000 2.162 420 L HA 0.136 4.476 4.340 -0.000 0.000 0.205 420 L C 2.198 178.950 176.870 -0.196 0.000 1.086 420 L CA 0.736 55.481 54.840 -0.159 0.000 0.778 420 L CB -0.480 41.468 42.059 -0.186 0.000 0.928 420 L HN 0.183 nan 8.230 nan 0.000 0.446 421 F N 1.591 121.263 119.950 -0.463 0.000 2.365 421 F HA -0.162 4.365 4.527 -0.000 0.000 0.300 421 F C 2.323 177.970 175.800 -0.254 0.000 1.090 421 F CA 1.232 58.951 58.000 -0.469 0.000 1.408 421 F CB -0.047 38.609 39.000 -0.573 0.000 1.060 421 F HN -0.130 nan 8.300 nan 0.000 0.534 422 K N 0.595 120.865 120.400 -0.217 0.000 2.305 422 K HA -0.009 4.311 4.320 -0.000 0.000 0.199 422 K C 1.872 178.358 176.600 -0.189 0.000 1.047 422 K CA 1.109 57.268 56.287 -0.214 0.000 0.976 422 K CB -0.122 32.323 32.500 -0.091 0.000 0.765 422 K HN 0.157 nan 8.250 nan 0.000 0.474 423 K N -0.370 119.933 120.400 -0.162 0.000 2.262 423 K HA 0.028 4.348 4.320 -0.000 0.000 0.200 423 K C 1.746 178.268 176.600 -0.129 0.000 1.049 423 K CA 0.602 56.819 56.287 -0.118 0.000 0.979 423 K CB 0.036 32.480 32.500 -0.093 0.000 0.773 423 K HN 0.081 nan 8.250 nan 0.000 0.474 424 L N 0.899 122.006 121.223 -0.193 0.000 2.291 424 L HA -0.077 4.263 4.340 -0.000 0.000 0.214 424 L C 1.878 178.632 176.870 -0.194 0.000 1.120 424 L CA 1.412 56.143 54.840 -0.181 0.000 0.799 424 L CB -0.070 41.863 42.059 -0.210 0.000 0.925 424 L HN 0.006 nan 8.230 nan 0.000 0.446 425 T N -0.830 113.544 114.554 -0.300 0.000 2.937 425 T HA -0.083 4.267 4.350 -0.000 0.000 0.260 425 T C 1.849 176.520 174.700 -0.048 0.000 1.051 425 T CA 0.989 62.962 62.100 -0.211 0.000 1.141 425 T CB 0.056 68.711 68.868 -0.355 0.000 0.879 425 T HN 0.290 nan 8.240 nan 0.000 0.459 426 K N 1.003 121.366 120.400 -0.062 0.000 2.001 426 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 426 K C 2.067 178.728 176.600 0.102 0.000 1.048 426 K CA 1.421 57.716 56.287 0.012 0.000 0.932 426 K CB -0.153 32.337 32.500 -0.016 0.000 0.715 426 K HN 0.215 nan 8.250 nan 0.000 0.437 427 D N 1.160 121.591 120.400 0.051 0.000 2.116 427 D HA -0.185 4.455 4.640 -0.000 0.000 0.193 427 D C 1.858 178.235 176.300 0.129 0.000 0.998 427 D CA 1.209 55.252 54.000 0.071 0.000 0.836 427 D CB -0.296 40.515 40.800 0.018 0.000 0.951 427 D HN 0.213 nan 8.370 nan 0.000 0.449 428 I N -0.073 120.577 120.570 0.133 0.000 2.567 428 I HA -0.239 3.931 4.170 -0.000 0.000 0.257 428 I C 2.046 178.319 176.117 0.260 0.000 1.184 428 I CA 0.478 61.895 61.300 0.196 0.000 1.451 428 I CB -0.159 37.966 38.000 0.208 0.000 1.089 428 I HN -0.108 nan 8.210 nan 0.000 0.441 429 F N 1.491 121.484 119.950 0.071 0.000 2.416 429 F HA 0.026 4.553 4.527 -0.000 0.000 0.296 429 F C 2.213 178.046 175.800 0.056 0.000 1.099 429 F CA 0.944 58.974 58.000 0.050 0.000 1.427 429 F CB -0.053 38.960 39.000 0.021 0.000 1.079 429 F HN -0.148 nan 8.300 nan 0.000 0.536 430 R N -1.475 119.129 120.500 0.174 0.000 2.320 430 R HA -0.054 4.286 4.340 -0.000 0.000 0.211 430 R C 0.428 176.793 176.300 0.109 0.000 0.931 430 R CA 0.177 56.334 56.100 0.096 0.000 1.071 430 R CB -0.257 30.110 30.300 0.112 0.000 1.025 430 R HN 0.301 nan 8.270 nan 0.000 0.495 431 Y N -0.239 120.045 120.300 -0.028 0.000 2.584 431 Y HA 0.296 4.846 4.550 -0.000 0.000 0.254 431 Y C 1.111 176.974 175.900 -0.062 0.000 1.177 431 Y CA -0.173 57.911 58.100 -0.026 0.000 1.216 431 Y CB 0.438 38.901 38.460 0.005 0.000 1.172 431 Y HN -0.118 nan 8.280 nan 0.000 0.529 432 M N -1.880 117.602 119.600 -0.196 0.000 2.817 432 M HA 0.040 4.520 4.480 -0.000 0.000 0.228 432 M C 1.694 177.831 176.300 -0.272 0.000 1.644 432 M CA 0.481 55.611 55.300 -0.283 0.000 1.177 432 M CB 0.261 32.690 32.600 -0.285 0.000 1.302 432 M HN -0.022 nan 8.290 nan 0.000 0.565 433 Q N 1.065 120.684 119.800 -0.301 0.000 2.135 433 Q HA -0.105 4.235 4.340 -0.000 0.000 0.204 433 Q C 1.609 177.523 176.000 -0.145 0.000 0.981 433 Q CA 1.402 57.068 55.803 -0.228 0.000 0.856 433 Q CB -0.146 28.464 28.738 -0.213 0.000 0.902 433 Q HN 0.433 nan 8.270 nan 0.000 0.425 434 R N -0.031 120.393 120.500 -0.126 0.000 2.313 434 R HA 0.067 4.406 4.340 -0.000 0.000 0.199 434 R C 0.064 176.290 176.300 -0.123 0.000 0.958 434 R CA 0.364 56.411 56.100 -0.088 0.000 1.047 434 R CB 0.461 30.737 30.300 -0.040 0.000 0.955 434 R HN -0.035 nan 8.270 nan 0.000 0.481 435 T N 0.752 115.192 114.554 -0.190 0.000 2.929 435 T HA 0.157 4.507 4.350 -0.000 0.000 0.331 435 T C 1.142 175.743 174.700 -0.165 0.000 1.120 435 T CA -0.302 61.662 62.100 -0.226 0.000 0.973 435 T CB 1.762 70.384 68.868 -0.411 0.000 1.036 435 T HN -0.159 nan 8.240 nan 0.000 0.502 436 V N 2.215 122.060 119.914 -0.115 0.000 2.649 436 V HA -0.007 4.113 4.120 -0.000 0.000 0.248 436 V C 1.584 177.630 176.094 -0.081 0.000 1.054 436 V CA 1.115 63.363 62.300 -0.087 0.000 1.073 436 V CB -0.263 31.522 31.823 -0.062 0.000 0.699 436 V HN 0.759 nan 8.190 nan 0.000 0.463 447 A N 0.563 123.228 122.820 -0.259 0.000 2.930 447 A HA -0.178 4.142 4.320 -0.000 0.000 0.273 447 A C -0.150 177.232 177.584 -0.336 0.000 1.435 447 A CA 1.122 52.862 52.037 -0.494 0.000 0.780 447 A CB -2.059 16.065 19.000 -1.461 0.000 1.034 447 A HN 0.460 nan 8.150 nan 0.000 0.562 448 I N 0.365 120.847 120.570 -0.147 0.000 2.439 448 I HA 0.226 4.396 4.170 -0.000 0.000 0.285 448 I C 0.128 176.232 176.117 -0.023 0.000 1.021 448 I CA -0.684 60.579 61.300 -0.062 0.000 1.091 448 I CB 1.684 39.685 38.000 0.001 0.000 1.242 448 I HN 0.339 nan 8.210 nan 0.000 0.439 449 N N 5.168 123.852 118.700 -0.026 0.000 2.508 449 N HA 0.215 4.955 4.740 -0.000 0.000 0.253 449 N C 0.790 176.303 175.510 0.006 0.000 1.145 449 N CA 0.055 53.100 53.050 -0.007 0.000 0.973 449 N CB 1.460 39.935 38.487 -0.019 0.000 1.305 449 N HN 0.792 nan 8.380 nan 0.000 0.506 450 A N 3.848 126.701 122.820 0.055 0.000 1.972 450 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 450 A C 2.060 179.674 177.584 0.049 0.000 1.169 450 A CA 1.103 53.180 52.037 0.066 0.000 0.635 450 A CB -0.230 18.949 19.000 0.299 0.000 0.810 450 A HN 0.661 nan 8.150 nan 0.000 0.446 451 K N -0.547 119.892 120.400 0.064 0.000 2.280 451 K HA -0.126 4.194 4.320 -0.000 0.000 0.202 451 K C 1.761 178.365 176.600 0.006 0.000 1.047 451 K CA 1.518 57.832 56.287 0.045 0.000 0.942 451 K CB -0.288 32.236 32.500 0.040 0.000 0.739 451 K HN 0.473 nan 8.250 nan 0.000 0.457 452 T N 1.430 115.974 114.554 -0.016 0.000 2.699 452 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 452 T C 1.723 176.393 174.700 -0.050 0.000 1.036 452 T CA 1.601 63.676 62.100 -0.042 0.000 1.147 452 T CB -0.071 68.762 68.868 -0.059 0.000 0.862 452 T HN 0.227 nan 8.240 nan 0.000 0.446 453 I N 0.398 120.938 120.570 -0.050 0.000 2.364 453 I HA -0.074 4.096 4.170 -0.000 0.000 0.241 453 I C 2.692 178.807 176.117 -0.003 0.000 1.082 453 I CA 0.921 62.192 61.300 -0.049 0.000 1.401 453 I CB -0.776 37.181 38.000 -0.071 0.000 1.126 453 I HN 0.133 nan 8.210 nan 0.000 0.429 454 T N 0.459 115.020 114.554 0.012 0.000 2.802 454 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 454 T C 2.037 176.763 174.700 0.042 0.000 1.062 454 T CA 1.838 63.964 62.100 0.042 0.000 1.133 454 T CB -0.157 68.756 68.868 0.075 0.000 0.852 454 T HN 0.251 nan 8.240 nan 0.000 0.485 455 S N 0.232 115.949 115.700 0.028 0.000 2.404 455 S HA 0.139 4.609 4.470 -0.000 0.000 0.223 455 S C 2.470 177.096 174.600 0.042 0.000 1.040 455 S CA 0.667 58.886 58.200 0.033 0.000 0.957 455 S CB -0.565 62.636 63.200 0.002 0.000 0.826 455 S HN 0.605 nan 8.310 nan 0.000 0.491 456 G N 2.441 111.244 108.800 0.004 0.000 2.459 456 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.217 456 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.217 456 G C 1.312 176.198 174.900 -0.024 0.000 1.183 456 G CA 0.818 45.915 45.100 -0.004 0.000 0.776 456 G HN 0.382 nan 8.290 nan 0.000 0.552 457 L N 0.069 121.275 121.223 -0.028 0.000 1.943 457 L HA -0.094 4.246 4.340 -0.000 0.000 0.215 457 L C 2.760 179.581 176.870 -0.082 0.000 1.074 457 L CA 1.898 56.698 54.840 -0.066 0.000 0.759 457 L CB -0.673 41.392 42.059 0.012 0.000 0.888 457 L HN 0.200 nan 8.230 nan 0.000 0.433 458 K N -0.639 119.752 120.400 -0.015 0.000 2.071 458 K HA -0.336 3.984 4.320 -0.000 0.000 0.217 458 K C 2.266 178.868 176.600 0.003 0.000 1.054 458 K CA 2.469 58.759 56.287 0.005 0.000 0.937 458 K CB -0.505 32.026 32.500 0.052 0.000 0.719 458 K HN 0.179 nan 8.250 nan 0.000 0.454 459 Y N 0.505 120.755 120.300 -0.084 0.000 2.030 459 Y HA -0.299 4.251 4.550 -0.000 0.000 0.274 459 Y C 2.064 177.887 175.900 -0.128 0.000 1.153 459 Y CA 2.004 60.052 58.100 -0.087 0.000 1.115 459 Y CB -0.931 37.475 38.460 -0.090 0.000 0.969 459 Y HN 0.188 nan 8.280 nan 0.000 0.488 460 A N -0.108 122.433 122.820 -0.465 0.000 1.908 460 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 460 A C 2.165 179.491 177.584 -0.430 0.000 1.181 460 A CA 1.886 53.507 52.037 -0.693 0.000 0.627 460 A CB -1.219 17.178 19.000 -1.004 0.000 0.818 460 A HN 0.517 nan 8.150 nan 0.000 0.445 461 L N -0.968 120.084 121.223 -0.286 0.000 2.362 461 L HA 0.014 4.354 4.340 -0.000 0.000 0.219 461 L C 2.618 179.450 176.870 -0.063 0.000 1.134 461 L CA 1.482 56.265 54.840 -0.094 0.000 0.807 461 L CB -0.415 41.535 42.059 -0.183 0.000 0.927 461 L HN 0.390 nan 8.230 nan 0.000 0.447 462 A N -2.490 120.262 122.820 -0.113 0.000 2.030 462 A HA 0.026 4.346 4.320 -0.000 0.000 0.215 462 A C 2.067 179.599 177.584 -0.087 0.000 1.164 462 A CA 1.440 53.437 52.037 -0.067 0.000 0.697 462 A CB -0.343 18.635 19.000 -0.037 0.000 0.827 462 A HN 0.387 nan 8.150 nan 0.000 0.457 463 T N -1.511 112.926 114.554 -0.196 0.000 3.246 463 T HA 0.441 4.791 4.350 -0.000 0.000 0.231 463 T C 1.304 175.972 174.700 -0.053 0.000 0.986 463 T CA 1.032 63.028 62.100 -0.174 0.000 1.340 463 T CB -0.069 68.570 68.868 -0.382 0.000 1.063 463 T HN 1.215 nan 8.240 nan 0.000 0.427 464 G N 1.653 110.448 108.800 -0.010 0.000 2.207 464 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.193 464 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.193 464 G C -0.530 174.490 174.900 0.200 0.000 1.050 464 G CA -0.783 44.419 45.100 0.171 0.000 0.780 464 G HN 0.451 nan 8.290 nan 0.000 0.504 465 N N 0.734 119.466 118.700 0.052 0.000 2.527 465 N HA 0.352 5.092 4.740 -0.000 0.000 0.236 465 N C 0.387 175.901 175.510 0.006 0.000 0.999 465 N CA -0.887 52.170 53.050 0.013 0.000 0.935 465 N CB 1.152 39.551 38.487 -0.146 0.000 1.132 465 N HN 0.357 nan 8.380 nan 0.000 0.511 466 W N 1.650 122.925 121.300 -0.041 0.000 3.227 466 W HA 0.244 4.904 4.660 0.000 0.000 0.246 466 W C 0.820 177.338 176.519 -0.001 0.000 1.007 466 W CA 0.231 57.562 57.345 -0.023 0.000 1.925 466 W CB 0.608 30.047 29.460 -0.034 0.000 1.062 466 W HN 0.420 nan 8.180 nan 0.000 0.649 478 G N -0.682 108.140 108.800 0.037 0.000 2.132 478 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.234 478 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.234 478 G C 0.966 175.862 174.900 -0.006 0.000 0.989 478 G CA 0.867 45.979 45.100 0.020 0.000 0.676 478 G HN 1.293 nan 8.290 nan 0.000 0.522 479 V N -0.003 119.894 119.914 -0.028 0.000 2.568 479 V HA 0.063 4.183 4.120 -0.000 0.000 0.253 479 V C 1.694 177.704 176.094 -0.140 0.000 1.072 479 V CA 2.335 64.539 62.300 -0.161 0.000 1.084 479 V CB 0.186 31.770 31.823 -0.397 0.000 0.676 479 V HN 0.843 nan 8.190 nan 0.000 0.469 480 S N -0.584 115.107 115.700 -0.015 0.000 2.500 480 S HA 0.634 5.104 4.470 -0.000 0.000 0.301 480 S C -0.756 173.851 174.600 0.011 0.000 1.092 480 S CA -0.679 57.524 58.200 0.006 0.000 1.030 480 S CB 1.418 64.672 63.200 0.090 0.000 1.031 480 S HN 0.509 nan 8.310 nan 0.000 0.483 481 Q N 1.914 121.709 119.800 -0.008 0.000 2.495 481 Q HA 0.515 4.854 4.340 -0.000 0.000 0.287 481 Q C -1.266 174.732 176.000 -0.003 0.000 1.078 481 Q CA -1.174 54.642 55.803 0.022 0.000 0.793 481 Q CB 1.845 30.644 28.738 0.102 0.000 1.459 481 Q HN 0.506 nan 8.270 nan 0.000 0.422 482 V N 1.988 121.920 119.914 0.030 0.000 2.521 482 V HA 0.023 4.142 4.120 -0.000 0.000 0.286 482 V C 0.012 176.102 176.094 -0.007 0.000 1.034 482 V CA -0.241 62.053 62.300 -0.010 0.000 1.045 482 V CB 0.399 32.215 31.823 -0.013 0.000 0.974 482 V HN 0.554 nan 8.190 nan 0.000 0.480 483 L N 6.333 127.479 121.223 -0.129 0.000 2.513 483 L HA 0.158 4.498 4.340 -0.000 0.000 0.272 483 L C 0.464 177.241 176.870 -0.154 0.000 1.187 483 L CA 0.506 55.238 54.840 -0.180 0.000 0.895 483 L CB -0.082 41.739 42.059 -0.397 0.000 1.147 483 L HN 0.663 nan 8.230 nan 0.000 0.483 484 N N 3.604 122.298 118.700 -0.009 0.000 2.441 484 N HA 0.236 4.976 4.740 -0.000 0.000 0.251 484 N C 0.140 175.347 175.510 -0.505 0.000 1.242 484 N CA 0.290 53.049 53.050 -0.486 0.000 0.898 484 N CB 0.431 38.623 38.487 -0.492 0.000 1.100 484 N HN 0.465 nan 8.380 nan 0.000 0.443 485 R N 0.663 120.727 120.500 -0.728 0.000 2.534 485 R HA 0.212 4.552 4.340 -0.000 0.000 0.438 485 R C 0.056 176.084 176.300 -0.453 0.000 0.913 485 R CA -0.100 55.694 56.100 -0.509 0.000 1.130 485 R CB -0.246 29.699 30.300 -0.592 0.000 1.611 485 R HN 0.676 nan 8.270 nan 0.000 0.571 486 Y N -1.586 118.611 120.300 -0.172 0.000 2.200 486 Y HA 0.079 4.629 4.550 -0.000 0.000 0.290 486 Y C 0.902 176.815 175.900 0.021 0.000 1.137 486 Y CA 0.548 58.583 58.100 -0.107 0.000 1.163 486 Y CB 0.426 38.840 38.460 -0.076 0.000 0.988 486 Y HN -0.145 nan 8.280 nan 0.000 0.518 487 T N -2.495 112.180 114.554 0.202 0.000 2.864 487 T HA 0.118 4.467 4.350 -0.000 0.000 0.299 487 T C -0.343 174.474 174.700 0.194 0.000 1.166 487 T CA -0.725 61.504 62.100 0.215 0.000 1.007 487 T CB 1.486 70.470 68.868 0.192 0.000 1.219 487 T HN 0.040 nan 8.240 nan 0.000 0.506 488 Y N 1.938 122.293 120.300 0.092 0.000 2.163 488 Y HA -0.117 4.433 4.550 -0.000 0.000 0.288 488 Y C 2.686 178.630 175.900 0.074 0.000 1.136 488 Y CA 2.507 60.645 58.100 0.063 0.000 1.147 488 Y CB -0.305 38.148 38.460 -0.011 0.000 0.987 488 Y HN 0.669 nan 8.280 nan 0.000 0.509 489 S N -0.909 114.888 115.700 0.162 0.000 2.399 489 S HA -0.209 4.261 4.470 -0.000 0.000 0.231 489 S C 2.180 176.781 174.600 0.002 0.000 1.022 489 S CA 1.142 59.398 58.200 0.093 0.000 0.983 489 S CB -1.197 62.142 63.200 0.232 0.000 0.803 489 S HN 0.581 nan 8.310 nan 0.000 0.480 490 S N 1.473 117.189 115.700 0.027 0.000 2.423 490 S HA -0.108 4.362 4.470 -0.000 0.000 0.231 490 S C 1.779 176.335 174.600 -0.073 0.000 1.014 490 S CA 1.411 59.612 58.200 0.002 0.000 0.965 490 S CB -1.274 61.966 63.200 0.067 0.000 0.785 490 S HN 0.568 nan 8.310 nan 0.000 0.495 491 T N 2.853 117.323 114.554 -0.140 0.000 2.770 491 T HA 0.191 4.541 4.350 -0.000 0.000 0.263 491 T C 1.749 176.350 174.700 -0.165 0.000 1.039 491 T CA 1.267 63.258 62.100 -0.180 0.000 1.142 491 T CB -0.505 68.208 68.868 -0.259 0.000 0.868 491 T HN 0.293 nan 8.240 nan 0.000 0.435 492 L N 0.881 121.958 121.223 -0.244 0.000 2.043 492 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 492 L C 2.890 179.717 176.870 -0.071 0.000 1.075 492 L CA 1.098 55.836 54.840 -0.170 0.000 0.752 492 L CB -0.624 41.332 42.059 -0.173 0.000 0.891 492 L HN 0.272 nan 8.230 nan 0.000 0.432 493 S N -1.287 114.384 115.700 -0.049 0.000 2.359 493 S HA -0.286 4.183 4.470 -0.000 0.000 0.224 493 S C 2.000 176.621 174.600 0.035 0.000 1.035 493 S CA 1.428 59.620 58.200 -0.013 0.000 1.018 493 S CB -0.344 62.847 63.200 -0.015 0.000 0.876 493 S HN 0.530 nan 8.310 nan 0.000 0.448 494 H N -0.257 118.759 119.070 -0.091 0.000 2.421 494 H HA 0.042 4.598 4.556 -0.000 0.000 0.298 494 H C 1.815 177.095 175.328 -0.079 0.000 1.087 494 H CA 1.217 57.211 56.048 -0.090 0.000 1.330 494 H CB -0.021 29.664 29.762 -0.129 0.000 1.388 494 H HN 0.305 nan 8.280 nan 0.000 0.526 495 L N 0.407 121.630 121.223 0.000 0.000 2.552 495 L HA -0.026 4.314 4.340 -0.000 0.000 0.227 495 L C 1.152 178.002 176.870 -0.035 0.000 1.146 495 L CA 0.650 55.455 54.840 -0.058 0.000 0.858 495 L CB 0.166 42.191 42.059 -0.055 0.000 0.969 495 L HN 0.263 nan 8.230 nan 0.000 0.451 496 R N -0.617 119.875 120.500 -0.013 0.000 2.629 496 R HA 0.219 4.559 4.340 -0.000 0.000 0.386 496 R C 0.255 176.548 176.300 -0.011 0.000 1.071 496 R CA -0.292 55.798 56.100 -0.018 0.000 1.104 496 R CB 0.454 30.743 30.300 -0.018 0.000 1.370 496 R HN 0.117 nan 8.270 nan 0.000 0.574 497 R N 1.001 121.507 120.500 0.010 0.000 2.531 497 R HA 0.253 4.593 4.340 -0.000 0.000 0.273 497 R C -0.698 175.602 176.300 0.000 0.000 1.070 497 R CA 0.311 56.422 56.100 0.017 0.000 1.112 497 R CB 1.088 31.434 30.300 0.077 0.000 1.049 497 R HN -0.175 nan 8.270 nan 0.000 0.508 498 T N 2.122 116.673 114.554 -0.005 0.000 2.907 498 T HA 0.335 4.685 4.350 -0.000 0.000 0.292 498 T C -1.267 173.431 174.700 -0.004 0.000 1.043 498 T CA -0.709 61.389 62.100 -0.004 0.000 1.003 498 T CB 1.429 70.305 68.868 0.012 0.000 1.084 498 T HN 0.664 nan 8.240 nan 0.000 0.483 499 N N 0.203 118.897 118.700 -0.009 0.000 2.225 499 N HA 0.535 5.274 4.740 -0.000 0.000 0.298 499 N C -1.600 173.908 175.510 -0.004 0.000 1.076 499 N CA -0.479 52.566 53.050 -0.009 0.000 0.792 499 N CB 1.797 40.270 38.487 -0.022 0.000 1.498 499 N HN 0.419 nan 8.380 nan 0.000 0.474 500 T N 3.826 118.383 114.554 0.005 0.000 2.912 500 T HA 0.417 4.767 4.350 -0.000 0.000 0.326 500 T C -2.662 172.040 174.700 0.002 0.000 1.080 500 T CA -0.951 61.156 62.100 0.011 0.000 1.000 500 T CB 1.282 70.170 68.868 0.034 0.000 1.008 500 T HN 0.440 nan 8.240 nan 0.000 0.473 501 P HA 0.345 nan 4.420 nan 0.000 0.268 501 P C 0.592 177.891 177.300 -0.002 0.000 1.204 501 P CA -0.122 62.975 63.100 -0.006 0.000 0.768 501 P CB 0.685 32.379 31.700 -0.010 0.000 0.842 510 K N 1.350 121.759 120.400 0.015 0.000 3.174 510 K HA 0.263 4.583 4.320 -0.000 0.000 0.207 510 K C -2.062 174.570 176.600 0.052 0.000 1.190 510 K CA -1.186 55.122 56.287 0.035 0.000 1.054 510 K CB 1.357 33.887 32.500 0.051 0.000 1.154 510 K HN 0.367 nan 8.250 nan 0.000 0.495 511 P HA -0.266 nan 4.420 nan 0.000 0.217 511 P C 0.629 177.979 177.300 0.083 0.000 1.148 511 P CA 1.411 64.547 63.100 0.060 0.000 0.834 511 P CB 0.161 31.883 31.700 0.037 0.000 0.783 512 R N -0.998 119.541 120.500 0.063 0.000 2.334 512 R HA 0.238 4.578 4.340 -0.000 0.000 0.216 512 R C 0.910 177.252 176.300 0.070 0.000 0.905 512 R CA -0.273 55.863 56.100 0.059 0.000 1.064 512 R CB -0.326 29.996 30.300 0.036 0.000 1.046 512 R HN 0.123 nan 8.270 nan 0.000 0.508 513 Q N 1.499 121.355 119.800 0.092 0.000 2.259 513 Q HA 0.211 4.551 4.340 -0.000 0.000 0.249 513 Q C -0.964 175.132 176.000 0.160 0.000 0.914 513 Q CA -0.720 55.142 55.803 0.098 0.000 0.904 513 Q CB 1.388 30.179 28.738 0.087 0.000 1.213 513 Q HN 0.231 nan 8.270 nan 0.000 0.428 514 L N 4.330 125.636 121.223 0.138 0.000 2.407 514 L HA 0.214 4.554 4.340 -0.000 0.000 0.282 514 L C -0.967 176.024 176.870 0.200 0.000 1.110 514 L CA 0.358 55.330 54.840 0.219 0.000 0.863 514 L CB -0.348 41.775 42.059 0.107 0.000 1.207 514 L HN 0.673 nan 8.230 nan 0.000 0.454 515 H N 3.548 122.676 119.070 0.097 0.000 2.551 515 H HA 0.273 4.829 4.556 -0.000 0.000 0.358 515 H C 1.192 176.437 175.328 -0.138 0.000 1.151 515 H CA 0.276 56.224 56.048 -0.167 0.000 1.374 515 H CB 0.893 30.385 29.762 -0.451 0.000 1.473 515 H HN 0.693 nan 8.280 nan 0.000 0.574 516 N N 1.068 119.474 118.700 -0.491 0.000 2.094 516 N HA -0.186 4.554 4.740 -0.000 0.000 0.191 516 N C 1.409 176.890 175.510 -0.049 0.000 1.023 516 N CA 2.051 54.959 53.050 -0.237 0.000 0.857 516 N CB -0.312 37.971 38.487 -0.340 0.000 1.013 516 N HN 0.752 nan 8.380 nan 0.000 0.426 517 T N -1.520 113.041 114.554 0.013 0.000 3.155 517 T HA -0.045 4.305 4.350 -0.000 0.000 0.264 517 T C 1.231 175.941 174.700 0.016 0.000 1.160 517 T CA 0.729 62.825 62.100 -0.007 0.000 1.075 517 T CB -0.265 68.483 68.868 -0.201 0.000 0.921 517 T HN 0.226 nan 8.240 nan 0.000 0.533 518 H N -0.676 118.385 119.070 -0.014 0.000 2.535 518 H HA 0.132 4.688 4.556 -0.000 0.000 0.273 518 H C 0.828 176.092 175.328 -0.107 0.000 0.983 518 H CA -0.509 55.409 56.048 -0.218 0.000 1.238 518 H CB -0.369 29.261 29.762 -0.221 0.000 1.412 518 H HN 0.552 nan 8.280 nan 0.000 0.562 519 W N 2.467 123.756 121.300 -0.018 0.000 2.476 519 W HA 0.068 4.728 4.660 -0.000 0.000 0.338 519 W C 0.901 177.389 176.519 -0.052 0.000 1.328 519 W CA 1.865 59.185 57.345 -0.042 0.000 1.300 519 W CB -0.108 29.322 29.460 -0.050 0.000 1.252 519 W HN 0.533 nan 8.180 nan 0.000 0.568 520 G N 4.155 112.557 108.800 -0.663 0.000 2.245 520 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.264 520 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.264 520 G C 0.755 175.528 174.900 -0.211 0.000 0.985 520 G CA 0.732 45.565 45.100 -0.446 0.000 0.625 520 G HN 0.584 nan 8.290 nan 0.000 0.536 521 L N -1.101 120.026 121.223 -0.159 0.000 2.388 521 L HA 0.471 4.811 4.340 -0.000 0.000 0.209 521 L C 0.793 177.542 176.870 -0.203 0.000 1.061 521 L CA 0.367 55.131 54.840 -0.126 0.000 0.834 521 L CB 0.506 42.541 42.059 -0.041 0.000 1.029 521 L HN 0.128 nan 8.230 nan 0.000 0.473 522 V N -0.539 119.199 119.914 -0.293 0.000 2.841 522 V HA 0.204 4.324 4.120 -0.000 0.000 0.310 522 V C -0.605 175.321 176.094 -0.280 0.000 1.090 522 V CA -1.219 60.883 62.300 -0.329 0.000 0.930 522 V CB 2.683 34.164 31.823 -0.569 0.000 1.014 522 V HN 0.204 nan 8.190 nan 0.000 0.425 523 C N 7.912 127.083 119.300 -0.216 0.000 2.642 523 C HA 0.219 4.679 4.460 -0.000 0.000 0.420 523 C C -0.238 174.652 174.990 -0.166 0.000 1.349 523 C CA -0.485 58.431 59.018 -0.171 0.000 1.821 523 C CB 0.417 28.084 27.740 -0.122 0.000 2.637 523 C HN 0.843 nan 8.230 nan 0.000 0.605 524 P HA 0.079 nan 4.420 nan 0.000 0.235 524 P C 0.745 178.007 177.300 -0.065 0.000 1.177 524 P CA 1.439 64.488 63.100 -0.086 0.000 0.785 524 P CB 0.207 31.877 31.700 -0.050 0.000 0.885 525 A N 0.584 123.365 122.820 -0.066 0.000 1.944 525 A HA 0.043 4.363 4.320 -0.000 0.000 0.207 525 A C 1.435 178.987 177.584 -0.055 0.000 1.265 525 A CA 0.050 52.054 52.037 -0.056 0.000 0.712 525 A CB -0.787 18.185 19.000 -0.048 0.000 0.915 525 A HN 0.143 nan 8.150 nan 0.000 0.470 526 E N 1.355 121.520 120.200 -0.058 0.000 1.795 526 E HA 0.242 4.592 4.350 -0.000 0.000 0.261 526 E C -0.660 175.910 176.600 -0.050 0.000 1.238 526 E CA 0.088 56.459 56.400 -0.047 0.000 1.001 526 E CB -0.217 29.455 29.700 -0.047 0.000 1.065 526 E HN 0.256 nan 8.360 nan 0.000 0.418 527 T N 4.123 118.657 114.554 -0.033 0.000 2.903 527 T HA 0.483 4.833 4.350 -0.000 0.000 0.299 527 T C -2.707 171.992 174.700 -0.003 0.000 1.093 527 T CA -1.859 60.224 62.100 -0.029 0.000 1.002 527 T CB 1.621 70.468 68.868 -0.034 0.000 1.127 527 T HN 0.303 nan 8.240 nan 0.000 0.488 528 P HA 0.366 nan 4.420 nan 0.000 0.276 528 P C -0.727 176.588 177.300 0.025 0.000 1.244 528 P CA -0.470 62.636 63.100 0.010 0.000 0.801 528 P CB 0.844 32.542 31.700 -0.003 0.000 1.006 529 E N -0.107 120.114 120.200 0.034 0.000 2.349 529 E HA 0.423 4.773 4.350 -0.000 0.000 0.265 529 E C 0.836 177.447 176.600 0.017 0.000 1.064 529 E CA -0.145 56.281 56.400 0.042 0.000 0.886 529 E CB 0.329 30.055 29.700 0.044 0.000 1.036 529 E HN 0.782 nan 8.360 nan 0.000 0.413 530 G N 1.717 110.529 108.800 0.019 0.000 2.498 530 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.251 530 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.251 530 G C 0.917 175.821 174.900 0.007 0.000 1.170 530 G CA 0.274 45.378 45.100 0.008 0.000 0.944 530 G HN 0.587 nan 8.290 nan 0.000 0.567 531 Q N 0.037 119.838 119.800 0.002 0.000 2.029 531 Q HA -0.139 4.201 4.340 -0.000 0.000 0.209 531 Q C 2.763 178.765 176.000 0.004 0.000 0.999 531 Q CA 3.329 59.134 55.803 0.002 0.000 0.857 531 Q CB -1.387 27.350 28.738 -0.000 0.000 0.926 531 Q HN 1.835 nan 8.270 nan 0.000 0.415 532 A N 0.695 123.517 122.820 0.003 0.000 2.239 532 A HA 0.017 4.337 4.320 -0.000 0.000 0.209 532 A C 1.057 178.643 177.584 0.004 0.000 1.171 532 A CA 0.313 52.352 52.037 0.002 0.000 0.768 532 A CB -0.777 18.222 19.000 -0.001 0.000 0.790 532 A HN 0.553 nan 8.150 nan 0.000 0.478 533 C N 0.755 120.060 119.300 0.008 0.000 2.519 533 C HA 0.383 4.843 4.460 -0.000 0.000 0.402 533 C C 1.925 176.921 174.990 0.010 0.000 1.475 533 C CA 1.098 60.122 59.018 0.010 0.000 1.504 533 C CB -1.750 26.002 27.740 0.019 0.000 2.454 533 C HN 1.502 nan 8.230 nan 0.000 0.615 534 G N 4.531 113.333 108.800 0.002 0.000 2.234 534 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.260 534 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.260 534 G C 0.543 175.450 174.900 0.012 0.000 0.987 534 G CA 0.644 45.748 45.100 0.006 0.000 0.625 534 G HN 0.726 nan 8.290 nan 0.000 0.532 535 L N -0.140 121.087 121.223 0.008 0.000 2.515 535 L HA 0.341 4.681 4.340 -0.000 0.000 0.223 535 L C 0.738 177.610 176.870 0.004 0.000 1.079 535 L CA 0.223 55.071 54.840 0.014 0.000 0.857 535 L CB 0.645 42.712 42.059 0.013 0.000 1.050 535 L HN 0.110 nan 8.230 nan 0.000 0.476 536 V N 1.361 121.270 119.914 -0.007 0.000 2.370 536 V HA 0.291 4.411 4.120 -0.000 0.000 0.283 536 V C -0.125 175.949 176.094 -0.033 0.000 1.023 536 V CA -0.542 61.750 62.300 -0.013 0.000 0.857 536 V CB 1.451 33.267 31.823 -0.011 0.000 0.985 536 V HN 0.161 nan 8.190 nan 0.000 0.443 537 K N 3.592 123.966 120.400 -0.042 0.000 2.346 537 K HA 0.623 4.943 4.320 -0.000 0.000 0.238 537 K C -0.947 175.611 176.600 -0.070 0.000 1.039 537 K CA -1.071 55.166 56.287 -0.085 0.000 0.861 537 K CB 1.848 34.265 32.500 -0.138 0.000 1.278 537 K HN 0.534 nan 8.250 nan 0.000 0.460 538 N N 1.130 119.772 118.700 -0.097 0.000 2.249 538 N HA 0.308 5.048 4.740 -0.000 0.000 0.296 538 N C -0.991 174.461 175.510 -0.096 0.000 1.051 538 N CA -0.570 52.436 53.050 -0.074 0.000 0.815 538 N CB 1.817 40.267 38.487 -0.062 0.000 1.487 538 N HN 0.297 nan 8.380 nan 0.000 0.475 539 L N 1.437 122.618 121.223 -0.070 0.000 2.416 539 L HA 0.163 4.503 4.340 -0.000 0.000 0.272 539 L C 1.028 177.850 176.870 -0.079 0.000 1.161 539 L CA 0.002 54.795 54.840 -0.077 0.000 0.845 539 L CB 0.360 42.387 42.059 -0.054 0.000 1.119 539 L HN 0.388 nan 8.230 nan 0.000 0.464 540 S N 2.480 118.115 115.700 -0.107 0.000 2.579 540 S HA 0.119 4.589 4.470 -0.000 0.000 0.275 540 S C 1.521 176.090 174.600 -0.051 0.000 1.345 540 S CA -0.731 57.406 58.200 -0.105 0.000 1.031 540 S CB 0.856 63.958 63.200 -0.164 0.000 0.892 540 S HN 0.487 nan 8.310 nan 0.000 0.529 541 L N 0.964 122.185 121.223 -0.003 0.000 2.010 541 L HA -0.211 4.129 4.340 -0.000 0.000 0.219 541 L C 1.772 178.724 176.870 0.136 0.000 1.077 541 L CA 1.791 56.710 54.840 0.131 0.000 0.773 541 L CB -0.414 41.777 42.059 0.219 0.000 0.892 541 L HN 0.705 nan 8.230 nan 0.000 0.436 542 M N -0.810 118.718 119.600 -0.119 0.000 2.551 542 M HA 0.083 4.563 4.480 -0.000 0.000 0.252 542 M C 0.346 176.492 176.300 -0.258 0.000 1.219 542 M CA -0.149 54.919 55.300 -0.387 0.000 0.978 542 M CB 0.203 32.316 32.600 -0.812 0.000 1.533 542 M HN 0.069 nan 8.290 nan 0.000 0.474 543 S N -0.116 115.493 115.700 -0.151 0.000 2.617 543 S HA 0.515 4.985 4.470 -0.000 0.000 0.269 543 S C -0.134 174.302 174.600 -0.274 0.000 1.292 543 S CA -0.692 57.387 58.200 -0.203 0.000 1.010 543 S CB 1.500 64.611 63.200 -0.149 0.000 0.944 543 S HN 0.439 nan 8.310 nan 0.000 0.536 544 C N 1.137 120.099 119.300 -0.563 0.000 3.241 544 C HA 0.610 5.070 4.460 -0.000 0.000 0.312 544 C C -0.763 173.756 174.990 -0.785 0.000 1.350 544 C CA -0.816 57.786 59.018 -0.693 0.000 1.415 544 C CB 0.807 27.978 27.740 -0.950 0.000 1.770 544 C HN 0.803 nan 8.230 nan 0.000 0.466 545 I N 2.041 122.355 120.570 -0.427 0.000 2.465 545 I HA 0.343 4.513 4.170 -0.000 0.000 0.291 545 I C 0.453 176.584 176.117 0.023 0.000 1.014 545 I CA 0.056 61.245 61.300 -0.184 0.000 1.093 545 I CB 2.054 39.997 38.000 -0.095 0.000 1.267 545 I HN 0.826 nan 8.210 nan 0.000 0.431 546 S N 4.399 120.222 115.700 0.205 0.000 2.558 546 S HA 0.081 4.551 4.470 -0.000 0.000 0.288 546 S C 0.578 175.229 174.600 0.084 0.000 1.318 546 S CA -0.549 57.782 58.200 0.218 0.000 1.056 546 S CB 1.547 64.839 63.200 0.154 0.000 0.853 546 S HN 0.487 nan 8.310 nan 0.000 0.505 547 V N 2.962 122.912 119.914 0.059 0.000 3.174 547 V HA 0.431 4.551 4.120 -0.000 0.000 0.254 547 V C 1.213 177.303 176.094 -0.007 0.000 1.120 547 V CA 1.424 63.734 62.300 0.018 0.000 1.114 547 V CB -0.506 31.318 31.823 0.002 0.000 0.756 547 V HN 1.524 nan 8.190 nan 0.000 0.467 548 G N -0.554 108.238 108.800 -0.012 0.000 2.841 548 G HA2 0.119 4.079 3.960 -0.000 0.000 0.684 548 G HA3 0.119 4.079 3.960 -0.000 0.000 0.684 548 G C -0.526 174.332 174.900 -0.069 0.000 1.273 548 G CA -0.180 44.904 45.100 -0.026 0.000 0.811 548 G HN 0.216 nan 8.290 nan 0.000 0.631 549 T N 1.209 115.735 114.554 -0.047 0.000 2.843 549 T HA 0.535 4.885 4.350 -0.000 0.000 0.302 549 T C -1.224 173.453 174.700 -0.038 0.000 1.232 549 T CA -0.580 61.481 62.100 -0.066 0.000 1.009 549 T CB 2.253 71.088 68.868 -0.055 0.000 1.254 549 T HN 0.728 nan 8.240 nan 0.000 0.504 550 D N 1.929 122.304 120.400 -0.042 0.000 2.308 550 D HA 0.258 4.898 4.640 -0.000 0.000 0.251 550 D C -1.372 174.917 176.300 -0.017 0.000 1.127 550 D CA -1.840 52.149 54.000 -0.018 0.000 0.876 550 D CB 1.808 42.600 40.800 -0.013 0.000 1.176 550 D HN 0.151 nan 8.370 nan 0.000 0.446 551 P HA 0.009 nan 4.420 nan 0.000 0.245 551 P C 1.736 179.017 177.300 -0.031 0.000 1.203 551 P CA 0.276 63.363 63.100 -0.021 0.000 0.792 551 P CB 0.446 32.143 31.700 -0.006 0.000 0.997 552 M N 1.305 120.898 119.600 -0.012 0.000 2.226 552 M HA -0.147 4.333 4.480 -0.000 0.000 0.257 552 M C -0.269 176.029 176.300 -0.003 0.000 1.070 552 M CA 3.230 58.528 55.300 -0.005 0.000 1.087 552 M CB -2.547 30.059 32.600 0.010 0.000 1.278 552 M HN 0.007 nan 8.290 nan 0.000 0.426 553 P HA -0.197 nan 4.420 nan 0.000 0.216 553 P C 1.583 178.901 177.300 0.030 0.000 1.157 553 P CA 1.929 65.038 63.100 0.014 0.000 0.880 553 P CB -0.360 31.332 31.700 -0.013 0.000 0.791 554 I N -0.456 120.106 120.570 -0.013 0.000 2.127 554 I HA -0.231 3.939 4.170 -0.000 0.000 0.241 554 I C 2.741 178.868 176.117 0.015 0.000 1.075 554 I CA 1.519 62.816 61.300 -0.004 0.000 1.334 554 I CB -0.682 37.284 38.000 -0.057 0.000 1.040 554 I HN -0.156 nan 8.210 nan 0.000 0.405 555 I N 0.376 120.903 120.570 -0.073 0.000 2.264 555 I HA -0.286 3.884 4.170 -0.000 0.000 0.248 555 I C 2.533 178.620 176.117 -0.049 0.000 1.111 555 I CA 1.490 62.693 61.300 -0.162 0.000 1.382 555 I CB -0.702 37.137 38.000 -0.268 0.000 1.060 555 I HN 0.270 nan 8.210 nan 0.000 0.418 556 T N 0.826 115.391 114.554 0.019 0.000 2.701 556 T HA -0.191 4.159 4.350 -0.000 0.000 0.263 556 T C 1.693 176.458 174.700 0.108 0.000 1.040 556 T CA 1.428 63.563 62.100 0.059 0.000 1.147 556 T CB -0.422 68.491 68.868 0.075 0.000 0.865 556 T HN 0.299 nan 8.240 nan 0.000 0.426 557 F N 1.643 121.594 119.950 0.002 0.000 2.171 557 F HA -0.018 4.509 4.527 -0.000 0.000 0.300 557 F C 1.898 177.741 175.800 0.072 0.000 1.090 557 F CA 0.948 58.974 58.000 0.043 0.000 1.293 557 F CB -0.469 38.507 39.000 -0.041 0.000 1.013 557 F HN 0.054 nan 8.300 nan 0.000 0.486 558 L N -0.099 121.159 121.223 0.059 0.000 2.042 558 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 558 L C 2.678 179.529 176.870 -0.031 0.000 1.076 558 L CA 1.802 56.625 54.840 -0.028 0.000 0.749 558 L CB -0.885 41.155 42.059 -0.032 0.000 0.893 558 L HN 0.348 nan 8.230 nan 0.000 0.432 559 S N -1.761 113.928 115.700 -0.018 0.000 2.470 559 S HA -0.095 4.375 4.470 -0.000 0.000 0.225 559 S C 1.653 176.239 174.600 -0.024 0.000 1.006 559 S CA 0.260 58.456 58.200 -0.006 0.000 0.934 559 S CB -0.137 63.060 63.200 -0.006 0.000 0.778 559 S HN 0.397 nan 8.310 nan 0.000 0.517 560 E N -0.407 119.767 120.200 -0.044 0.000 2.338 560 E HA -0.042 4.308 4.350 -0.000 0.000 0.197 560 E C -0.184 176.320 176.600 -0.161 0.000 1.007 560 E CA 0.553 56.907 56.400 -0.076 0.000 0.849 560 E CB 0.001 29.683 29.700 -0.030 0.000 0.774 560 E HN 0.722 nan 8.360 nan 0.000 0.506 561 W N 0.119 121.211 121.300 -0.347 0.000 2.764 561 W HA 0.300 4.960 4.660 -0.000 0.000 0.427 561 W C 0.841 177.354 176.519 -0.011 0.000 0.896 561 W CA 0.378 57.559 57.345 -0.274 0.000 2.307 561 W CB 0.825 29.989 29.460 -0.493 0.000 1.192 561 W HN 0.045 nan 8.180 nan 0.000 0.731 562 G N 1.066 109.918 108.800 0.086 0.000 2.141 562 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.242 562 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.242 562 G C 0.336 175.353 174.900 0.195 0.000 0.982 562 G CA -0.113 45.045 45.100 0.096 0.000 0.662 562 G HN 0.257 nan 8.290 nan 0.000 0.527 563 M N 1.769 121.509 119.600 0.234 0.000 2.266 563 M HA 0.347 4.827 4.480 -0.000 0.000 0.340 563 M C 0.417 176.735 176.300 0.030 0.000 1.486 563 M CA -0.057 55.361 55.300 0.196 0.000 1.209 563 M CB 0.009 32.663 32.600 0.090 0.000 1.714 563 M HN 0.288 nan 8.290 nan 0.000 0.459 564 E N 7.193 127.377 120.200 -0.027 0.000 2.376 564 E HA 0.149 4.499 4.350 -0.000 0.000 0.266 564 E C -2.198 174.334 176.600 -0.115 0.000 1.009 564 E CA -1.366 54.988 56.400 -0.077 0.000 0.902 564 E CB 0.163 29.806 29.700 -0.095 0.000 0.972 564 E HN 0.487 nan 8.360 nan 0.000 0.439 565 P HA -0.080 nan 4.420 nan 0.000 0.269 565 P C 0.349 177.519 177.300 -0.217 0.000 1.209 565 P CA -0.154 62.868 63.100 -0.131 0.000 0.776 565 P CB 0.869 32.513 31.700 -0.093 0.000 0.876 566 L N 2.120 123.153 121.223 -0.318 0.000 2.275 566 L HA -0.140 4.200 4.340 -0.000 0.000 0.215 566 L C 2.235 178.936 176.870 -0.282 0.000 1.119 566 L CA 1.729 56.264 54.840 -0.508 0.000 0.790 566 L CB -1.010 40.635 42.059 -0.690 0.000 0.919 566 L HN 0.278 nan 8.230 nan 0.000 0.443 567 E N -0.227 119.875 120.200 -0.164 0.000 2.058 567 E HA -0.175 4.174 4.350 -0.000 0.000 0.194 567 E C 0.554 177.142 176.600 -0.020 0.000 0.997 567 E CA 1.288 57.643 56.400 -0.075 0.000 0.801 567 E CB -0.351 29.280 29.700 -0.115 0.000 0.746 567 E HN 0.535 nan 8.360 nan 0.000 0.450 568 D N 0.044 120.415 120.400 -0.048 0.000 3.163 568 D HA 0.046 4.686 4.640 -0.000 0.000 0.284 568 D C -0.753 175.546 176.300 -0.003 0.000 1.368 568 D CA -0.213 53.776 54.000 -0.020 0.000 0.895 568 D CB -0.276 40.504 40.800 -0.033 0.000 1.061 568 D HN 0.061 nan 8.370 nan 0.000 0.496 569 Y N 0.708 120.890 120.300 -0.198 0.000 2.335 569 Y HA 0.395 4.945 4.550 -0.000 0.000 0.338 569 Y C -1.093 174.717 175.900 -0.151 0.000 0.977 569 Y CA -1.053 56.881 58.100 -0.278 0.000 1.114 569 Y CB 1.163 39.276 38.460 -0.579 0.000 1.182 569 Y HN -0.233 nan 8.280 nan 0.000 0.463 570 V N 10.005 129.627 119.914 -0.486 0.000 2.325 570 V HA 0.273 4.393 4.120 -0.000 0.000 0.280 570 V C -1.744 173.934 176.094 -0.693 0.000 1.016 570 V CA -1.475 60.512 62.300 -0.520 0.000 0.818 570 V CB 1.302 32.928 31.823 -0.328 0.000 1.019 570 V HN 0.738 nan 8.190 nan 0.000 0.434 571 P HA -0.229 nan 4.420 nan 0.000 0.213 571 P C 1.537 178.777 177.300 -0.099 0.000 1.170 571 P CA 1.797 64.692 63.100 -0.343 0.000 0.898 571 P CB -0.115 31.585 31.700 -0.000 0.000 0.787 572 H N -0.137 118.917 119.070 -0.026 0.000 2.539 572 H HA -0.068 4.488 4.556 -0.000 0.000 0.292 572 H C 1.387 176.719 175.328 0.007 0.000 1.069 572 H CA 1.019 57.074 56.048 0.011 0.000 1.244 572 H CB -0.596 29.168 29.762 0.003 0.000 1.365 572 H HN 0.287 nan 8.280 nan 0.000 0.575 573 Q N 0.776 120.273 119.800 -0.506 0.000 2.352 573 Q HA 0.066 4.406 4.340 -0.000 0.000 0.212 573 Q C 0.170 176.098 176.000 -0.120 0.000 0.888 573 Q CA 0.560 56.164 55.803 -0.332 0.000 0.934 573 Q CB 0.859 29.328 28.738 -0.448 0.000 1.093 573 Q HN 0.531 nan 8.270 nan 0.000 0.523 574 S N -1.082 114.584 115.700 -0.056 0.000 2.680 574 S HA 0.209 4.679 4.470 -0.000 0.000 0.153 574 S C -2.309 172.350 174.600 0.098 0.000 1.224 574 S CA -0.894 57.324 58.200 0.030 0.000 1.197 574 S CB 0.731 63.960 63.200 0.048 0.000 1.634 574 S HN -0.030 nan 8.310 nan 0.000 0.422 575 P HA -0.080 nan 4.420 nan 0.000 0.220 575 P C 0.491 177.857 177.300 0.110 0.000 1.148 575 P CA 1.131 64.308 63.100 0.128 0.000 0.803 575 P CB 0.056 31.825 31.700 0.116 0.000 0.782 576 D N 0.441 120.887 120.400 0.077 0.000 2.269 576 D HA 0.017 4.657 4.640 -0.000 0.000 0.208 576 D C 1.050 177.382 176.300 0.052 0.000 0.963 576 D CA 0.414 54.450 54.000 0.060 0.000 0.864 576 D CB -0.540 40.285 40.800 0.042 0.000 0.936 576 D HN 0.127 nan 8.370 nan 0.000 0.505 577 A N 1.124 123.976 122.820 0.052 0.000 2.598 577 A HA 0.012 4.332 4.320 -0.000 0.000 0.239 577 A C 0.584 178.173 177.584 0.009 0.000 1.032 577 A CA 0.618 52.668 52.037 0.021 0.000 0.760 577 A CB -0.066 18.941 19.000 0.011 0.000 0.946 577 A HN -0.005 nan 8.150 nan 0.000 0.512 578 T N 3.779 118.346 114.554 0.020 0.000 2.817 578 T HA 0.432 4.782 4.350 -0.000 0.000 0.293 578 T C 0.580 175.281 174.700 0.002 0.000 0.964 578 T CA -0.329 61.786 62.100 0.025 0.000 1.085 578 T CB 0.244 69.148 68.868 0.061 0.000 0.921 578 T HN 0.735 nan 8.240 nan 0.000 0.502 579 R N 2.036 122.519 120.500 -0.028 0.000 2.368 579 R HA 0.653 4.993 4.340 -0.000 0.000 0.302 579 R C -1.247 175.061 176.300 0.013 0.000 1.002 579 R CA -0.724 55.357 56.100 -0.032 0.000 0.929 579 R CB 0.587 30.706 30.300 -0.302 0.000 1.073 579 R HN 0.279 nan 8.270 nan 0.000 0.464 580 V N 3.712 123.651 119.914 0.042 0.000 2.435 580 V HA 0.477 4.597 4.120 -0.000 0.000 0.290 580 V C -0.724 175.403 176.094 0.056 0.000 1.030 580 V CA -0.606 61.750 62.300 0.093 0.000 0.881 580 V CB 0.960 32.815 31.823 0.054 0.000 0.983 580 V HN 0.573 nan 8.190 nan 0.000 0.445 581 F N 2.688 122.617 119.950 -0.035 0.000 2.561 581 F HA 0.793 5.320 4.527 -0.000 0.000 0.321 581 F C -0.126 175.634 175.800 -0.066 0.000 1.065 581 F CA -1.079 56.921 58.000 -0.000 0.000 0.934 581 F CB 2.235 41.169 39.000 -0.111 0.000 1.215 581 F HN 0.149 nan 8.300 nan 0.000 0.471 582 V N 2.286 122.324 119.914 0.206 0.000 2.524 582 V HA 0.297 4.416 4.120 -0.000 0.000 0.297 582 V C -0.634 175.479 176.094 0.033 0.000 1.035 582 V CA -1.398 60.914 62.300 0.020 0.000 0.867 582 V CB 1.423 33.261 31.823 0.026 0.000 1.004 582 V HN 0.802 nan 8.190 nan 0.000 0.426 583 N N 3.920 122.512 118.700 -0.179 0.000 2.716 583 N HA -0.226 4.514 4.740 -0.000 0.000 0.250 583 N C 1.246 176.849 175.510 0.155 0.000 1.033 583 N CA 1.814 54.873 53.050 0.016 0.000 0.727 583 N CB -1.012 37.541 38.487 0.111 0.000 0.950 583 N HN 1.608 nan 8.380 nan 0.000 0.541 584 G N -3.130 105.765 108.800 0.157 0.000 2.253 584 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.251 584 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.251 584 G C 0.053 175.288 174.900 0.559 0.000 0.998 584 G CA 0.283 45.590 45.100 0.344 0.000 0.621 584 G HN 0.524 nan 8.290 nan 0.000 0.524 585 V N 1.124 121.267 119.914 0.382 0.000 2.461 585 V HA 0.478 4.598 4.120 -0.000 0.000 0.275 585 V C 0.414 176.599 176.094 0.152 0.000 1.047 585 V CA -0.646 61.766 62.300 0.187 0.000 0.955 585 V CB 1.293 33.065 31.823 -0.084 0.000 0.988 585 V HN 0.320 nan 8.190 nan 0.000 0.471 586 W N 5.533 126.715 121.300 -0.197 0.000 2.481 586 W HA 0.313 4.973 4.660 -0.000 0.000 0.320 586 W C 1.010 177.264 176.519 -0.440 0.000 1.209 586 W CA -0.652 56.293 57.345 -0.667 0.000 1.400 586 W CB -0.138 28.912 29.460 -0.683 0.000 1.361 586 W HN 0.703 nan 8.180 nan 0.000 0.456 587 H N 2.997 122.036 119.070 -0.051 0.000 2.520 587 H HA 0.212 4.768 4.556 -0.000 0.000 0.279 587 H C 1.148 176.325 175.328 -0.251 0.000 0.990 587 H CA 1.371 57.347 56.048 -0.120 0.000 1.288 587 H CB 0.876 30.608 29.762 -0.050 0.000 1.446 587 H HN 0.515 nan 8.280 nan 0.000 0.538 588 G N -0.269 108.417 108.800 -0.189 0.000 2.356 588 G HA2 0.297 4.257 3.960 -0.000 0.000 0.281 588 G HA3 0.297 4.257 3.960 -0.000 0.000 0.281 588 G C -1.716 173.045 174.900 -0.231 0.000 1.246 588 G CA -0.289 44.601 45.100 -0.350 0.000 0.889 588 G HN 0.055 nan 8.290 nan 0.000 0.486 589 V N -0.274 119.477 119.914 -0.272 0.000 3.040 589 V HA 0.854 4.973 4.120 -0.000 0.000 0.312 589 V C -1.214 174.856 176.094 -0.041 0.000 1.115 589 V CA -0.569 61.591 62.300 -0.233 0.000 0.998 589 V CB 2.312 33.779 31.823 -0.594 0.000 1.042 589 V HN 1.121 nan 8.190 nan 0.000 0.433 590 H N 2.038 121.044 119.070 -0.106 0.000 3.179 590 H HA 0.567 5.123 4.556 -0.000 0.000 0.331 590 H C -0.513 174.799 175.328 -0.027 0.000 1.013 590 H CA -0.583 55.435 56.048 -0.051 0.000 1.430 590 H CB 0.990 30.741 29.762 -0.020 0.000 1.895 590 H HN 0.584 nan 8.280 nan 0.000 0.468 591 R N 3.178 123.502 120.500 -0.293 0.000 2.531 591 R HA 0.282 4.622 4.340 -0.000 0.000 0.273 591 R C 0.019 176.241 176.300 -0.130 0.000 1.070 591 R CA -0.519 55.491 56.100 -0.150 0.000 1.112 591 R CB 0.292 30.506 30.300 -0.145 0.000 1.049 591 R HN 0.755 nan 8.270 nan 0.000 0.508 592 N N 1.547 120.260 118.700 0.021 0.000 2.671 592 N HA -0.112 4.628 4.740 -0.000 0.000 0.261 592 N C -1.980 173.689 175.510 0.266 0.000 1.053 592 N CA 0.481 53.587 53.050 0.093 0.000 0.732 592 N CB -0.547 37.968 38.487 0.047 0.000 0.887 592 N HN 0.583 nan 8.380 nan 0.000 0.546 593 P HA -0.090 nan 4.420 nan 0.000 0.225 593 P C 1.335 178.702 177.300 0.111 0.000 1.156 593 P CA 1.258 64.496 63.100 0.229 0.000 0.787 593 P CB 0.200 31.980 31.700 0.133 0.000 0.802 594 A N 1.646 124.531 122.820 0.108 0.000 1.896 594 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 594 A C 2.419 180.053 177.584 0.083 0.000 1.206 594 A CA 2.061 54.144 52.037 0.078 0.000 0.647 594 A CB -1.389 17.654 19.000 0.073 0.000 0.828 594 A HN 0.137 nan 8.150 nan 0.000 0.455 595 R N -1.322 119.259 120.500 0.135 0.000 2.148 595 R HA -0.020 4.320 4.340 -0.000 0.000 0.223 595 R C 2.107 178.492 176.300 0.142 0.000 1.088 595 R CA 1.137 57.338 56.100 0.170 0.000 0.985 595 R CB -0.412 30.037 30.300 0.248 0.000 0.880 595 R HN 0.557 nan 8.270 nan 0.000 0.451 596 L N 0.210 121.492 121.223 0.098 0.000 2.072 596 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 596 L C 2.157 178.955 176.870 -0.119 0.000 1.079 596 L CA 1.648 56.446 54.840 -0.069 0.000 0.752 596 L CB -0.315 41.590 42.059 -0.256 0.000 0.906 596 L HN 0.046 nan 8.230 nan 0.000 0.436 597 M N -0.138 119.424 119.600 -0.063 0.000 2.159 597 M HA -0.168 4.312 4.480 -0.000 0.000 0.263 597 M C 2.047 178.313 176.300 -0.056 0.000 1.063 597 M CA 1.645 56.912 55.300 -0.054 0.000 1.110 597 M CB -0.373 32.215 32.600 -0.019 0.000 1.374 597 M HN 0.389 nan 8.290 nan 0.000 0.411 598 E N -1.261 118.918 120.200 -0.035 0.000 2.031 598 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 598 E C 1.824 178.374 176.600 -0.083 0.000 0.994 598 E CA 2.005 58.386 56.400 -0.032 0.000 0.800 598 E CB -0.290 29.416 29.700 0.010 0.000 0.752 598 E HN 0.505 nan 8.360 nan 0.000 0.447 599 T N 1.726 116.191 114.554 -0.148 0.000 2.684 599 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 599 T C 1.972 176.516 174.700 -0.261 0.000 1.036 599 T CA 0.915 62.858 62.100 -0.262 0.000 1.148 599 T CB -0.300 68.184 68.868 -0.640 0.000 0.863 599 T HN 0.081 nan 8.240 nan 0.000 0.436 600 L N 0.150 121.238 121.223 -0.225 0.000 2.013 600 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 600 L C 2.931 179.697 176.870 -0.172 0.000 1.073 600 L CA 1.553 56.266 54.840 -0.211 0.000 0.753 600 L CB -0.400 41.577 42.059 -0.137 0.000 0.890 600 L HN 0.164 nan 8.230 nan 0.000 0.432 601 R N -0.991 119.438 120.500 -0.118 0.000 2.092 601 R HA -0.119 4.221 4.340 -0.000 0.000 0.231 601 R C 2.274 178.513 176.300 -0.102 0.000 1.119 601 R CA 1.812 57.860 56.100 -0.087 0.000 0.970 601 R CB -0.353 29.917 30.300 -0.050 0.000 0.864 601 R HN 0.309 nan 8.270 nan 0.000 0.440 602 T N 1.021 115.507 114.554 -0.114 0.000 2.777 602 T HA -0.054 4.295 4.350 -0.000 0.000 0.266 602 T C 1.725 176.342 174.700 -0.137 0.000 1.040 602 T CA 0.914 62.950 62.100 -0.107 0.000 1.141 602 T CB -0.065 68.750 68.868 -0.089 0.000 0.868 602 T HN 0.123 nan 8.240 nan 0.000 0.444 603 L N 0.546 121.649 121.223 -0.201 0.000 2.046 603 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 603 L C 2.941 179.698 176.870 -0.187 0.000 1.077 603 L CA 1.238 55.935 54.840 -0.239 0.000 0.747 603 L CB -0.488 41.325 42.059 -0.410 0.000 0.896 603 L HN 0.133 nan 8.230 nan 0.000 0.432 604 R N 0.705 121.104 120.500 -0.168 0.000 2.115 604 R HA -0.102 4.238 4.340 -0.000 0.000 0.226 604 R C 2.240 178.469 176.300 -0.119 0.000 1.100 604 R CA 1.044 57.064 56.100 -0.132 0.000 0.980 604 R CB 0.020 30.253 30.300 -0.111 0.000 0.875 604 R HN 0.307 nan 8.270 nan 0.000 0.445 605 R N -0.057 120.374 120.500 -0.115 0.000 2.236 605 R HA -0.001 4.339 4.340 -0.000 0.000 0.208 605 R C 1.966 178.200 176.300 -0.110 0.000 1.036 605 R CA 0.899 56.930 56.100 -0.114 0.000 1.001 605 R CB 0.189 30.430 30.300 -0.098 0.000 0.896 605 R HN 0.180 nan 8.270 nan 0.000 0.464 606 K N -1.256 119.082 120.400 -0.103 0.000 2.128 606 K HA 0.112 4.432 4.320 -0.000 0.000 0.202 606 K C 1.148 177.695 176.600 -0.088 0.000 1.050 606 K CA 1.046 57.282 56.287 -0.086 0.000 0.966 606 K CB 0.521 32.972 32.500 -0.081 0.000 0.759 606 K HN 0.302 nan 8.250 nan 0.000 0.454 607 G N 0.957 109.698 108.800 -0.098 0.000 2.273 607 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.162 607 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.162 607 G C 0.287 175.134 174.900 -0.087 0.000 1.006 607 G CA 0.092 45.140 45.100 -0.086 0.000 0.704 607 G HN 0.135 nan 8.290 nan 0.000 0.487 608 D N 0.298 120.633 120.400 -0.109 0.000 2.264 608 D HA 0.071 4.711 4.640 -0.000 0.000 0.208 608 D C 1.126 177.339 176.300 -0.145 0.000 0.966 608 D CA 0.791 54.718 54.000 -0.123 0.000 0.864 608 D CB 0.690 41.398 40.800 -0.153 0.000 0.933 608 D HN 0.459 nan 8.370 nan 0.000 0.499 609 I N 1.345 121.825 120.570 -0.151 0.000 2.406 609 I HA 0.056 4.226 4.170 -0.000 0.000 0.290 609 I C 0.306 176.363 176.117 -0.099 0.000 0.999 609 I CA -0.790 60.423 61.300 -0.145 0.000 1.124 609 I CB 1.843 39.734 38.000 -0.181 0.000 1.289 609 I HN -0.233 nan 8.210 nan 0.000 0.441 610 N N 8.204 126.859 118.700 -0.075 0.000 2.411 610 N HA 0.003 4.743 4.740 -0.000 0.000 0.261 610 N C -1.796 173.693 175.510 -0.036 0.000 1.248 610 N CA -0.792 52.230 53.050 -0.046 0.000 0.885 610 N CB 1.437 39.899 38.487 -0.041 0.000 1.062 610 N HN 0.299 nan 8.380 nan 0.000 0.471 611 P HA -0.204 nan 4.420 nan 0.000 0.218 611 P C 1.007 178.324 177.300 0.028 0.000 1.152 611 P CA 1.252 64.369 63.100 0.029 0.000 0.857 611 P CB 0.183 31.950 31.700 0.112 0.000 0.787 612 E N -0.007 120.179 120.200 -0.023 0.000 2.209 612 E HA -0.113 4.237 4.350 -0.000 0.000 0.196 612 E C 0.063 176.574 176.600 -0.149 0.000 0.993 612 E CA 0.423 56.702 56.400 -0.201 0.000 0.819 612 E CB -0.168 29.477 29.700 -0.091 0.000 0.745 612 E HN -0.003 nan 8.360 nan 0.000 0.477 613 V N 1.384 121.258 119.914 -0.067 0.000 2.673 613 V HA -0.035 4.085 4.120 -0.000 0.000 0.303 613 V C 0.316 176.404 176.094 -0.011 0.000 1.046 613 V CA 0.270 62.555 62.300 -0.026 0.000 1.126 613 V CB 1.307 33.109 31.823 -0.034 0.000 0.934 613 V HN 0.074 nan 8.190 nan 0.000 0.487 614 S N 6.277 122.011 115.700 0.056 0.000 2.437 614 S HA 0.754 5.224 4.470 -0.000 0.000 0.305 614 S C -0.643 174.023 174.600 0.109 0.000 1.109 614 S CA -0.794 57.461 58.200 0.092 0.000 1.099 614 S CB 0.488 63.779 63.200 0.151 0.000 1.004 614 S HN 0.618 nan 8.310 nan 0.000 0.475 615 M N 5.742 125.380 119.600 0.065 0.000 2.197 615 M HA 0.541 5.021 4.480 -0.000 0.000 0.301 615 M C -1.268 175.063 176.300 0.051 0.000 0.987 615 M CA -0.358 54.965 55.300 0.038 0.000 0.921 615 M CB 1.705 34.300 32.600 -0.008 0.000 1.569 615 M HN 0.438 nan 8.290 nan 0.000 0.431 616 I N 2.313 122.918 120.570 0.058 0.000 2.498 616 I HA 0.595 4.765 4.170 -0.000 0.000 0.290 616 I C -0.510 175.625 176.117 0.029 0.000 1.032 616 I CA -0.730 60.603 61.300 0.055 0.000 1.073 616 I CB 2.263 40.314 38.000 0.085 0.000 1.251 616 I HN 0.695 nan 8.210 nan 0.000 0.426 617 R N 3.861 124.376 120.500 0.025 0.000 2.480 617 R HA 0.327 4.667 4.340 -0.000 0.000 0.306 617 R C -1.510 174.800 176.300 0.018 0.000 0.958 617 R CA -0.528 55.582 56.100 0.017 0.000 0.861 617 R CB 1.572 31.882 30.300 0.016 0.000 1.171 617 R HN 0.612 nan 8.270 nan 0.000 0.445 618 D N 6.178 126.584 120.400 0.010 0.000 2.473 618 D HA 0.158 4.798 4.640 -0.000 0.000 0.226 618 D C 1.399 177.707 176.300 0.013 0.000 1.089 618 D CA -0.380 53.625 54.000 0.008 0.000 0.883 618 D CB 0.834 41.630 40.800 -0.006 0.000 1.029 618 D HN 0.621 nan 8.370 nan 0.000 0.517 619 I N 2.671 123.252 120.570 0.018 0.000 2.127 619 I HA -0.305 3.865 4.170 -0.000 0.000 0.241 619 I C 2.241 178.371 176.117 0.021 0.000 1.075 619 I CA 1.024 62.337 61.300 0.022 0.000 1.334 619 I CB -0.038 37.976 38.000 0.022 0.000 1.040 619 I HN 0.248 nan 8.210 nan 0.000 0.405 620 R N 0.314 120.824 120.500 0.017 0.000 2.115 620 R HA -0.155 4.185 4.340 -0.000 0.000 0.230 620 R C 2.001 178.312 176.300 0.018 0.000 1.111 620 R CA 0.928 57.039 56.100 0.017 0.000 0.976 620 R CB -0.203 30.104 30.300 0.012 0.000 0.870 620 R HN 0.204 nan 8.270 nan 0.000 0.445 621 E N 0.968 121.176 120.200 0.013 0.000 2.502 621 E HA -0.026 4.324 4.350 -0.000 0.000 0.194 621 E C -0.332 176.279 176.600 0.018 0.000 1.062 621 E CA 0.282 56.689 56.400 0.012 0.000 0.867 621 E CB 0.067 29.765 29.700 -0.004 0.000 0.888 621 E HN 0.047 nan 8.360 nan 0.000 0.510 622 K N 0.573 120.985 120.400 0.021 0.000 3.071 622 K HA -0.213 4.106 4.320 -0.000 0.000 0.265 622 K C -0.838 175.768 176.600 0.010 0.000 1.060 622 K CA 0.964 57.265 56.287 0.023 0.000 0.767 622 K CB -1.393 31.128 32.500 0.034 0.000 1.241 622 K HN 0.298 nan 8.250 nan 0.000 0.486 623 E N 0.271 120.473 120.200 0.003 0.000 2.317 623 E HA 0.507 4.857 4.350 -0.000 0.000 0.270 623 E C -1.285 175.321 176.600 0.008 0.000 0.885 623 E CA -1.173 55.226 56.400 -0.001 0.000 0.760 623 E CB 1.900 31.559 29.700 -0.068 0.000 1.227 623 E HN 0.017 nan 8.360 nan 0.000 0.434 624 L N 2.346 123.593 121.223 0.040 0.000 2.415 624 L HA 0.385 4.725 4.340 -0.000 0.000 0.268 624 L C -1.454 175.438 176.870 0.036 0.000 0.984 624 L CA -0.448 54.407 54.840 0.025 0.000 0.853 624 L CB 0.890 42.957 42.059 0.013 0.000 1.215 624 L HN 0.388 nan 8.230 nan 0.000 0.419 625 K N 6.128 126.516 120.400 -0.019 0.000 2.206 625 K HA 0.662 4.982 4.320 -0.000 0.000 0.264 625 K C -1.023 175.471 176.600 -0.177 0.000 0.967 625 K CA -0.492 55.727 56.287 -0.113 0.000 0.844 625 K CB 2.171 34.594 32.500 -0.127 0.000 1.099 625 K HN 0.526 nan 8.250 nan 0.000 0.441 626 I N 3.350 123.722 120.570 -0.330 0.000 2.433 626 I HA 0.395 4.565 4.170 -0.000 0.000 0.292 626 I C -0.927 174.879 176.117 -0.517 0.000 1.001 626 I CA -0.832 60.311 61.300 -0.262 0.000 1.119 626 I CB 1.079 38.998 38.000 -0.135 0.000 1.289 626 I HN 0.406 nan 8.210 nan 0.000 0.438 627 F N 3.093 123.053 119.950 0.017 0.000 2.520 627 F HA 0.407 4.934 4.527 -0.000 0.000 0.322 627 F C 0.858 176.659 175.800 0.001 0.000 1.103 627 F CA -0.345 57.665 58.000 0.016 0.000 0.926 627 F CB 2.186 41.191 39.000 0.008 0.000 1.154 627 F HN 0.335 nan 8.300 nan 0.000 0.453 628 T N -1.034 113.620 114.554 0.168 0.000 2.986 628 T HA 0.019 4.369 4.350 -0.000 0.000 0.264 628 T C -0.141 174.608 174.700 0.081 0.000 0.964 628 T CA -0.249 61.902 62.100 0.084 0.000 0.895 628 T CB -0.158 68.731 68.868 0.037 0.000 1.163 628 T HN 0.624 nan 8.240 nan 0.000 0.517 629 D N 2.117 122.591 120.400 0.124 0.000 2.361 629 D HA 0.413 5.053 4.640 -0.000 0.000 0.239 629 D C 0.318 176.653 176.300 0.058 0.000 1.200 629 D CA -0.411 53.641 54.000 0.088 0.000 0.915 629 D CB 0.641 41.506 40.800 0.109 0.000 1.170 629 D HN 0.218 nan 8.370 nan 0.000 0.444 630 A N -1.044 121.799 122.820 0.038 0.000 2.246 630 A HA 0.613 4.932 4.320 -0.000 0.000 0.291 630 A C 1.434 179.023 177.584 0.008 0.000 1.103 630 A CA -0.001 52.052 52.037 0.027 0.000 0.844 630 A CB -0.051 18.961 19.000 0.021 0.000 1.136 630 A HN 1.463 nan 8.150 nan 0.000 0.500 631 G N -0.885 107.915 108.800 -0.000 0.000 2.225 631 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.254 631 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.254 631 G C 0.441 175.309 174.900 -0.054 0.000 0.988 631 G CA 0.523 45.602 45.100 -0.035 0.000 0.625 631 G HN 0.846 nan 8.290 nan 0.000 0.527 632 R N 0.384 120.876 120.500 -0.013 0.000 2.347 632 R HA 0.457 4.797 4.340 -0.000 0.000 0.304 632 R C 0.260 176.607 176.300 0.078 0.000 1.072 632 R CA -0.268 55.828 56.100 -0.007 0.000 0.980 632 R CB 1.283 31.594 30.300 0.020 0.000 0.986 632 R HN 0.105 nan 8.270 nan 0.000 0.448 633 V N 5.390 125.332 119.914 0.048 0.000 2.546 633 V HA 0.297 4.417 4.120 -0.000 0.000 0.284 633 V C -0.471 175.723 176.094 0.167 0.000 1.050 633 V CA -0.280 62.066 62.300 0.076 0.000 0.981 633 V CB 0.548 32.501 31.823 0.218 0.000 0.990 633 V HN 0.717 nan 8.190 nan 0.000 0.474 634 Y N 3.471 123.784 120.300 0.022 0.000 2.625 634 Y HA 0.884 5.434 4.550 -0.000 0.000 0.338 634 Y C -0.606 175.289 175.900 -0.009 0.000 1.123 634 Y CA -1.715 56.396 58.100 0.019 0.000 1.046 634 Y CB 1.504 39.968 38.460 0.006 0.000 1.299 634 Y HN 0.671 nan 8.280 nan 0.000 0.464 635 R N 0.837 121.487 120.500 0.251 0.000 2.888 635 R HA 0.757 5.097 4.340 -0.000 0.000 0.264 635 R C -3.428 173.054 176.300 0.305 0.000 1.045 635 R CA -2.007 54.172 56.100 0.132 0.000 0.962 635 R CB 2.618 32.917 30.300 -0.001 0.000 1.210 635 R HN 0.531 nan 8.270 nan 0.000 0.479 636 P HA 0.447 nan 4.420 nan 0.000 0.299 636 P C -1.022 176.301 177.300 0.039 0.000 1.323 636 P CA -0.660 62.608 63.100 0.279 0.000 0.896 636 P CB 1.932 33.899 31.700 0.445 0.000 1.081 637 L N 2.140 123.388 121.223 0.041 0.000 2.327 637 L HA 0.527 4.867 4.340 -0.000 0.000 0.258 637 L C 0.287 177.167 176.870 0.017 0.000 1.024 637 L CA -1.203 53.626 54.840 -0.018 0.000 0.825 637 L CB 1.695 43.799 42.059 0.075 0.000 1.386 637 L HN 0.264 nan 8.230 nan 0.000 0.417 638 F N 1.301 121.276 119.950 0.042 0.000 2.399 638 F HA 0.341 4.868 4.527 -0.000 0.000 0.342 638 F C 0.467 176.250 175.800 -0.029 0.000 1.106 638 F CA -0.472 57.513 58.000 -0.025 0.000 1.196 638 F CB 0.964 39.930 39.000 -0.057 0.000 1.163 638 F HN 0.138 nan 8.300 nan 0.000 0.547 639 I N 3.736 124.371 120.570 0.110 0.000 2.428 639 I HA 0.151 4.321 4.170 -0.000 0.000 0.289 639 I C -0.355 175.684 176.117 -0.130 0.000 1.019 639 I CA -0.470 60.758 61.300 -0.120 0.000 1.351 639 I CB 1.331 39.252 38.000 -0.131 0.000 1.412 639 I HN 0.232 nan 8.210 nan 0.000 0.513 640 V N 6.067 125.860 119.914 -0.201 0.000 2.446 640 V HA 0.216 4.336 4.120 -0.000 0.000 0.257 640 V C 0.243 176.276 176.094 -0.102 0.000 1.036 640 V CA -0.481 61.747 62.300 -0.119 0.000 1.196 640 V CB -0.126 31.657 31.823 -0.067 0.000 1.446 640 V HN 0.662 nan 8.190 nan 0.000 0.558 641 E N 2.311 122.450 120.200 -0.102 0.000 2.318 641 E HA 0.205 4.555 4.350 -0.000 0.000 0.265 641 E C -0.153 176.424 176.600 -0.039 0.000 1.069 641 E CA -0.238 56.121 56.400 -0.068 0.000 0.893 641 E CB 1.530 31.190 29.700 -0.067 0.000 1.076 641 E HN 0.596 nan 8.360 nan 0.000 0.414 642 D N 1.099 121.488 120.400 -0.018 0.000 3.071 642 D HA 0.041 4.681 4.640 -0.000 0.000 0.259 642 D C -0.299 176.005 176.300 0.008 0.000 1.331 642 D CA -0.184 53.817 54.000 0.001 0.000 0.861 642 D CB -0.002 40.807 40.800 0.015 0.000 1.059 642 D HN 0.145 nan 8.370 nan 0.000 0.486 643 D N 0.537 120.937 120.400 0.000 0.000 2.324 643 D HA -0.035 4.605 4.640 -0.000 0.000 0.235 643 D C 0.193 176.500 176.300 0.012 0.000 1.095 643 D CA 0.339 54.342 54.000 0.005 0.000 0.871 643 D CB 0.712 41.511 40.800 -0.002 0.000 0.906 643 D HN 0.428 nan 8.370 nan 0.000 0.522 644 E N 0.957 121.169 120.200 0.019 0.000 2.175 644 E HA 0.130 4.480 4.350 -0.000 0.000 0.278 644 E C 0.810 177.432 176.600 0.037 0.000 0.969 644 E CA -0.122 56.294 56.400 0.027 0.000 0.796 644 E CB 1.634 31.353 29.700 0.032 0.000 1.104 644 E HN -0.027 nan 8.360 nan 0.000 0.395 645 S N 5.130 120.847 115.700 0.029 0.000 2.303 645 S HA -0.095 4.375 4.470 -0.000 0.000 0.207 645 S C 2.122 176.738 174.600 0.026 0.000 1.025 645 S CA 0.358 58.574 58.200 0.026 0.000 0.953 645 S CB -0.713 62.497 63.200 0.017 0.000 0.932 645 S HN 0.674 nan 8.310 nan 0.000 0.472 646 L N 1.348 122.582 121.223 0.017 0.000 2.353 646 L HA -0.332 4.008 4.340 -0.000 0.000 0.232 646 L C 2.346 179.209 176.870 -0.011 0.000 1.132 646 L CA 1.930 56.774 54.840 0.005 0.000 0.857 646 L CB -1.066 40.998 42.059 0.008 0.000 0.941 646 L HN 0.723 nan 8.230 nan 0.000 0.451 647 G N -3.551 105.255 108.800 0.010 0.000 2.485 647 G HA2 0.309 4.269 3.960 -0.000 0.000 0.192 647 G HA3 0.309 4.269 3.960 -0.000 0.000 0.192 647 G C 0.291 175.195 174.900 0.007 0.000 1.368 647 G CA 0.490 45.545 45.100 -0.076 0.000 0.685 647 G HN 0.627 nan 8.290 nan 0.000 0.608 648 H N -1.496 117.581 119.070 0.010 0.000 3.937 648 H HA 0.477 5.033 4.556 -0.000 0.000 0.358 648 H C -0.987 174.352 175.328 0.018 0.000 1.474 648 H CA -1.057 55.001 56.048 0.017 0.000 1.130 648 H CB 0.435 30.212 29.762 0.025 0.000 1.523 648 H HN -0.057 nan 8.280 nan 0.000 0.843 649 K N 0.867 121.261 120.400 -0.011 0.000 2.276 649 K HA 0.248 4.568 4.320 -0.000 0.000 0.283 649 K C -0.638 175.840 176.600 -0.203 0.000 1.044 649 K CA 0.066 56.305 56.287 -0.080 0.000 0.944 649 K CB 1.491 33.968 32.500 -0.039 0.000 1.012 649 K HN 0.392 nan 8.250 nan 0.000 0.472 650 E N 2.497 122.636 120.200 -0.100 0.000 2.416 650 E HA 0.316 4.666 4.350 -0.000 0.000 0.273 650 E C -1.191 175.347 176.600 -0.103 0.000 0.935 650 E CA -0.710 55.625 56.400 -0.109 0.000 0.784 650 E CB 1.050 30.731 29.700 -0.031 0.000 1.301 650 E HN 0.337 nan 8.360 nan 0.000 0.454 651 L N 3.349 124.489 121.223 -0.139 0.000 2.426 651 L HA 0.254 4.594 4.340 -0.000 0.000 0.271 651 L C 1.290 178.066 176.870 -0.157 0.000 1.169 651 L CA -0.178 54.551 54.840 -0.184 0.000 0.836 651 L CB 0.448 42.308 42.059 -0.331 0.000 1.112 651 L HN 0.599 nan 8.230 nan 0.000 0.465 652 K N 1.420 121.731 120.400 -0.147 0.000 2.365 652 K HA 0.005 4.325 4.320 -0.000 0.000 0.199 652 K C 0.265 176.778 176.600 -0.145 0.000 1.045 652 K CA 0.512 56.731 56.287 -0.113 0.000 0.962 652 K CB -0.093 32.341 32.500 -0.110 0.000 0.759 652 K HN 0.545 nan 8.250 nan 0.000 0.469 653 V N 2.036 121.803 119.914 -0.245 0.000 2.488 653 V HA 0.223 4.343 4.120 -0.000 0.000 0.277 653 V C 0.218 176.295 176.094 -0.028 0.000 1.046 653 V CA -0.741 61.423 62.300 -0.227 0.000 0.986 653 V CB 0.605 32.228 31.823 -0.333 0.000 0.989 653 V HN 0.067 nan 8.190 nan 0.000 0.475 654 R N 3.399 124.092 120.500 0.321 0.000 2.902 654 R HA 0.535 4.875 4.340 -0.000 0.000 0.258 654 R C 0.888 177.250 176.300 0.103 0.000 1.071 654 R CA -1.080 55.107 56.100 0.144 0.000 1.024 654 R CB 0.970 31.325 30.300 0.092 0.000 1.184 654 R HN 0.507 nan 8.270 nan 0.000 0.492 655 K N 0.780 121.193 120.400 0.022 0.000 2.127 655 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 655 K C 1.844 178.429 176.600 -0.026 0.000 1.047 655 K CA 2.099 58.392 56.287 0.010 0.000 0.927 655 K CB -0.505 31.994 32.500 -0.002 0.000 0.716 655 K HN 0.843 nan 8.250 nan 0.000 0.450 656 G N 1.131 109.864 108.800 -0.113 0.000 2.422 656 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 656 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 656 G C 1.337 176.101 174.900 -0.226 0.000 1.146 656 G CA 0.677 45.651 45.100 -0.210 0.000 0.769 656 G HN 0.372 nan 8.290 nan 0.000 0.547 657 H N 0.369 119.407 119.070 -0.052 0.000 2.326 657 H HA 0.062 4.618 4.556 -0.000 0.000 0.301 657 H C 2.725 178.109 175.328 0.093 0.000 1.081 657 H CA 1.016 57.061 56.048 -0.004 0.000 1.334 657 H CB -0.165 29.661 29.762 0.106 0.000 1.385 657 H HN 0.307 nan 8.280 nan 0.000 0.504 658 I N 0.866 121.568 120.570 0.220 0.000 2.361 658 I HA -0.224 3.946 4.170 -0.000 0.000 0.251 658 I C 2.750 178.948 176.117 0.136 0.000 1.133 658 I CA 0.756 62.170 61.300 0.191 0.000 1.413 658 I CB -0.295 37.794 38.000 0.149 0.000 1.073 658 I HN 0.158 nan 8.210 nan 0.000 0.424 659 A N 1.013 123.866 122.820 0.055 0.000 1.902 659 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 659 A C 2.335 179.930 177.584 0.020 0.000 1.181 659 A CA 1.566 53.608 52.037 0.008 0.000 0.623 659 A CB -0.386 18.577 19.000 -0.062 0.000 0.818 659 A HN 0.315 nan 8.150 nan 0.000 0.443 660 K N -0.420 119.971 120.400 -0.014 0.000 2.057 660 K HA -0.013 4.307 4.320 -0.000 0.000 0.206 660 K C 1.927 178.653 176.600 0.210 0.000 1.050 660 K CA 1.180 57.459 56.287 -0.013 0.000 0.935 660 K CB -0.387 31.880 32.500 -0.389 0.000 0.715 660 K HN 0.455 nan 8.250 nan 0.000 0.439 661 L N 0.648 122.068 121.223 0.330 0.000 1.970 661 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 661 L C 2.570 179.581 176.870 0.236 0.000 1.071 661 L CA 1.445 56.485 54.840 0.333 0.000 0.751 661 L CB -0.371 41.877 42.059 0.314 0.000 0.889 661 L HN 0.264 nan 8.230 nan 0.000 0.432 662 M N -1.017 118.700 119.600 0.194 0.000 2.460 662 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 662 M C 2.296 178.696 176.300 0.166 0.000 1.071 662 M CA 1.273 56.676 55.300 0.172 0.000 1.096 662 M CB -0.420 32.262 32.600 0.137 0.000 1.408 662 M HN 0.332 nan 8.290 nan 0.000 0.463 663 A N 0.045 122.950 122.820 0.142 0.000 1.897 663 A HA -0.092 4.228 4.320 -0.000 0.000 0.215 663 A C 2.163 179.862 177.584 0.191 0.000 1.181 663 A CA 1.822 53.942 52.037 0.138 0.000 0.620 663 A CB -0.886 18.161 19.000 0.078 0.000 0.821 663 A HN 0.386 nan 8.150 nan 0.000 0.443 664 T N -0.238 114.425 114.554 0.181 0.000 2.867 664 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 664 T C 1.756 176.550 174.700 0.157 0.000 1.057 664 T CA 1.402 63.602 62.100 0.167 0.000 1.136 664 T CB -0.153 68.822 68.868 0.178 0.000 0.874 664 T HN 0.584 nan 8.240 nan 0.000 0.466 665 E N 0.161 120.469 120.200 0.179 0.000 2.007 665 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 665 E C 1.941 178.628 176.600 0.146 0.000 0.999 665 E CA 1.215 57.712 56.400 0.162 0.000 0.811 665 E CB -0.304 29.506 29.700 0.183 0.000 0.762 665 E HN 0.540 nan 8.360 nan 0.000 0.450 666 Y N 1.821 122.161 120.300 0.067 0.000 2.173 666 Y HA -0.267 4.283 4.550 -0.000 0.000 0.282 666 Y C 1.507 177.431 175.900 0.041 0.000 1.192 666 Y CA 1.695 59.824 58.100 0.048 0.000 1.176 666 Y CB -0.107 38.378 38.460 0.042 0.000 0.969 666 Y HN 0.070 nan 8.280 nan 0.000 0.519 667 Q N 1.393 121.207 119.800 0.024 0.000 2.294 667 Q HA 0.028 4.368 4.340 -0.000 0.000 0.222 667 Q C -0.761 175.193 176.000 -0.077 0.000 0.903 667 Q CA 0.107 55.876 55.803 -0.057 0.000 0.966 667 Q CB -0.154 28.622 28.738 0.063 0.000 1.091 667 Q HN 0.456 nan 8.270 nan 0.000 0.438 679 Y N 2.657 122.994 120.300 0.061 0.000 2.336 679 Y HA 0.465 5.015 4.550 -0.000 0.000 0.335 679 Y C -0.181 175.769 175.900 0.083 0.000 1.046 679 Y CA 0.414 58.553 58.100 0.064 0.000 1.198 679 Y CB 1.378 39.880 38.460 0.069 0.000 1.182 679 Y HN 0.377 nan 8.280 nan 0.000 0.502 680 T N 5.262 119.673 114.554 -0.237 0.000 2.858 680 T HA 0.018 4.368 4.350 -0.000 0.000 0.285 680 T C 0.537 175.122 174.700 -0.191 0.000 1.052 680 T CA -0.607 61.422 62.100 -0.119 0.000 1.009 680 T CB 0.937 69.795 68.868 -0.017 0.000 1.241 680 T HN 0.875 nan 8.240 nan 0.000 0.542 681 W N 1.205 122.426 121.300 -0.132 0.000 2.335 681 W HA -0.169 4.491 4.660 -0.000 0.000 0.311 681 W C 1.685 178.126 176.519 -0.130 0.000 1.213 681 W CA 1.752 59.037 57.345 -0.099 0.000 1.274 681 W CB -0.565 28.868 29.460 -0.045 0.000 1.148 681 W HN 0.588 nan 8.180 nan 0.000 0.498 682 S N 0.864 116.496 115.700 -0.112 0.000 2.419 682 S HA -0.177 4.293 4.470 -0.000 0.000 0.235 682 S C 1.912 176.339 174.600 -0.289 0.000 1.019 682 S CA 1.673 59.767 58.200 -0.177 0.000 0.982 682 S CB -0.298 62.893 63.200 -0.016 0.000 0.789 682 S HN 0.262 nan 8.310 nan 0.000 0.490 683 S N 1.855 117.344 115.700 -0.353 0.000 2.355 683 S HA 0.051 4.521 4.470 -0.000 0.000 0.222 683 S C 1.797 176.134 174.600 -0.438 0.000 1.031 683 S CA 0.880 58.840 58.200 -0.400 0.000 0.993 683 S CB -0.419 62.321 63.200 -0.767 0.000 0.859 683 S HN 0.416 nan 8.310 nan 0.000 0.453 684 L N 1.001 121.867 121.223 -0.595 0.000 2.079 684 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 684 L C 2.351 178.909 176.870 -0.520 0.000 1.081 684 L CA 1.025 55.547 54.840 -0.530 0.000 0.752 684 L CB -0.629 41.050 42.059 -0.632 0.000 0.896 684 L HN 0.266 nan 8.230 nan 0.000 0.433 685 L N -0.366 120.477 121.223 -0.634 0.000 2.005 685 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 685 L C 2.533 179.218 176.870 -0.308 0.000 1.072 685 L CA 1.135 55.665 54.840 -0.516 0.000 0.744 685 L CB -0.486 41.266 42.059 -0.512 0.000 0.895 685 L HN 0.352 nan 8.230 nan 0.000 0.433 686 N N 0.288 118.843 118.700 -0.243 0.000 2.104 686 N HA -0.206 4.534 4.740 -0.000 0.000 0.190 686 N C 1.136 176.575 175.510 -0.118 0.000 1.024 686 N CA 1.315 54.276 53.050 -0.148 0.000 0.853 686 N CB -0.161 38.264 38.487 -0.104 0.000 1.008 686 N HN 0.421 nan 8.380 nan 0.000 0.424 687 E N 0.151 120.280 120.200 -0.117 0.000 2.321 687 E HA 0.158 4.508 4.350 -0.000 0.000 0.189 687 E C 0.486 177.022 176.600 -0.107 0.000 1.125 687 E CA -0.227 56.131 56.400 -0.070 0.000 1.005 687 E CB -0.352 29.349 29.700 0.002 0.000 1.140 687 E HN 0.308 nan 8.360 nan 0.000 0.457 688 G N 1.261 109.978 108.800 -0.139 0.000 2.379 688 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.297 688 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.297 688 G C 0.651 175.460 174.900 -0.151 0.000 1.004 688 G CA 0.432 45.448 45.100 -0.139 0.000 0.921 688 G HN 0.391 nan 8.290 nan 0.000 0.511 689 L N -1.949 119.155 121.223 -0.199 0.000 2.463 689 L HA 0.303 4.642 4.340 -0.000 0.000 0.219 689 L C 0.889 177.688 176.870 -0.119 0.000 1.088 689 L CA 0.383 55.108 54.840 -0.191 0.000 0.849 689 L CB 0.221 42.112 42.059 -0.280 0.000 1.012 689 L HN 0.189 nan 8.230 nan 0.000 0.468 690 V N -0.770 119.020 119.914 -0.206 0.000 3.007 690 V HA 0.397 4.516 4.120 -0.000 0.000 0.311 690 V C -0.896 175.057 176.094 -0.234 0.000 1.120 690 V CA -0.803 61.383 62.300 -0.190 0.000 0.980 690 V CB 2.976 34.567 31.823 -0.387 0.000 1.033 690 V HN 0.035 nan 8.190 nan 0.000 0.429 691 E N 0.696 120.822 120.200 -0.124 0.000 2.393 691 E HA 0.513 4.863 4.350 -0.000 0.000 0.273 691 E C -1.871 174.708 176.600 -0.036 0.000 0.918 691 E CA -0.748 55.578 56.400 -0.123 0.000 0.773 691 E CB 2.916 32.644 29.700 0.046 0.000 1.275 691 E HN 0.651 nan 8.360 nan 0.000 0.451 692 Y N 1.370 121.692 120.300 0.036 0.000 2.313 692 Y HA 0.455 5.005 4.550 -0.000 0.000 0.332 692 Y C 0.167 176.058 175.900 -0.015 0.000 1.071 692 Y CA -0.601 57.520 58.100 0.034 0.000 1.169 692 Y CB 0.984 39.304 38.460 -0.233 0.000 1.192 692 Y HN 0.198 nan 8.280 nan 0.000 0.487 693 I N 3.944 124.666 120.570 0.253 0.000 2.499 693 I HA 0.149 4.318 4.170 -0.000 0.000 0.288 693 I C -1.096 175.134 176.117 0.188 0.000 1.048 693 I CA -0.902 60.475 61.300 0.129 0.000 1.062 693 I CB 1.866 39.873 38.000 0.011 0.000 1.238 693 I HN 0.655 nan 8.210 nan 0.000 0.426 694 D N 5.075 125.566 120.400 0.152 0.000 2.387 694 D HA 0.422 5.062 4.640 -0.000 0.000 0.255 694 D C 0.963 177.348 176.300 0.142 0.000 1.081 694 D CA -0.574 53.530 54.000 0.175 0.000 0.994 694 D CB 1.437 42.321 40.800 0.140 0.000 1.127 694 D HN 0.485 nan 8.370 nan 0.000 0.513 695 A N 0.273 123.200 122.820 0.178 0.000 1.948 695 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 695 A C 1.948 179.655 177.584 0.205 0.000 1.177 695 A CA 2.000 54.161 52.037 0.207 0.000 0.636 695 A CB -0.959 18.209 19.000 0.280 0.000 0.815 695 A HN 0.645 nan 8.150 nan 0.000 0.449 696 E N -0.203 120.068 120.200 0.119 0.000 2.038 696 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 696 E C 1.986 178.629 176.600 0.071 0.000 1.000 696 E CA 1.716 58.145 56.400 0.049 0.000 0.803 696 E CB -0.302 29.352 29.700 -0.075 0.000 0.750 696 E HN 0.736 nan 8.360 nan 0.000 0.448 697 E N -0.035 120.208 120.200 0.072 0.000 2.106 697 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 697 E C 1.950 178.573 176.600 0.038 0.000 0.984 697 E CA 0.998 57.433 56.400 0.058 0.000 0.806 697 E CB -0.074 29.655 29.700 0.049 0.000 0.750 697 E HN 0.294 nan 8.360 nan 0.000 0.458 698 E N 0.357 120.585 120.200 0.047 0.000 2.147 698 E HA -0.265 4.085 4.350 -0.000 0.000 0.199 698 E C 1.828 178.449 176.600 0.036 0.000 1.005 698 E CA 1.357 57.774 56.400 0.028 0.000 0.810 698 E CB 0.106 29.845 29.700 0.066 0.000 0.736 698 E HN 0.242 nan 8.360 nan 0.000 0.460 699 E N -0.050 120.193 120.200 0.072 0.000 2.097 699 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 699 E C 2.067 178.692 176.600 0.043 0.000 1.000 699 E CA 1.586 58.028 56.400 0.070 0.000 0.804 699 E CB -0.276 29.475 29.700 0.084 0.000 0.740 699 E HN 0.332 nan 8.360 nan 0.000 0.454 700 S N 0.215 115.939 115.700 0.040 0.000 2.631 700 S HA 0.105 4.575 4.470 -0.000 0.000 0.217 700 S C 1.188 175.819 174.600 0.052 0.000 0.958 700 S CA -0.348 57.877 58.200 0.041 0.000 0.920 700 S CB -0.699 62.527 63.200 0.043 0.000 0.776 700 S HN 0.291 nan 8.310 nan 0.000 0.517 701 I N -2.461 118.137 120.570 0.047 0.000 3.237 701 I HA 0.812 4.982 4.170 -0.000 0.000 0.308 701 I C -1.202 174.970 176.117 0.091 0.000 1.093 701 I CA -1.831 59.523 61.300 0.090 0.000 1.001 701 I CB 1.714 39.755 38.000 0.067 0.000 1.245 701 I HN 0.061 nan 8.210 nan 0.000 0.485 702 L N 2.879 124.200 121.223 0.163 0.000 2.406 702 L HA 0.586 4.926 4.340 -0.000 0.000 0.270 702 L C -1.166 175.881 176.870 0.295 0.000 0.982 702 L CA -0.146 54.805 54.840 0.184 0.000 0.843 702 L CB 1.301 43.456 42.059 0.160 0.000 1.225 702 L HN 0.497 nan 8.230 nan 0.000 0.412 703 I N 4.419 125.093 120.570 0.174 0.000 2.359 703 I HA 0.644 4.814 4.170 -0.000 0.000 0.294 703 I C 0.389 176.466 176.117 -0.067 0.000 0.987 703 I CA -0.726 60.618 61.300 0.073 0.000 1.225 703 I CB 1.831 39.831 38.000 -0.001 0.000 1.366 703 I HN 0.722 nan 8.210 nan 0.000 0.466 704 A N 5.367 127.927 122.820 -0.433 0.000 2.331 704 A HA 0.401 4.721 4.320 -0.000 0.000 0.283 704 A C 0.693 178.093 177.584 -0.307 0.000 1.142 704 A CA -0.493 51.110 52.037 -0.724 0.000 0.812 704 A CB 0.987 19.107 19.000 -1.466 0.000 1.074 704 A HN 0.838 nan 8.150 nan 0.000 0.497 705 M N 0.986 120.464 119.600 -0.204 0.000 2.064 705 M HA -0.052 4.428 4.480 -0.000 0.000 0.260 705 M C 0.706 176.931 176.300 -0.126 0.000 1.073 705 M CA 1.965 57.186 55.300 -0.132 0.000 1.124 705 M CB -0.341 32.192 32.600 -0.111 0.000 1.326 705 M HN 0.776 nan 8.290 nan 0.000 0.410 706 Q N 0.016 119.746 119.800 -0.118 0.000 2.312 706 Q HA 0.289 4.629 4.340 -0.000 0.000 0.263 706 Q C -1.904 174.040 176.000 -0.094 0.000 0.995 706 Q CA -1.859 53.897 55.803 -0.078 0.000 0.853 706 Q CB 1.022 29.736 28.738 -0.040 0.000 1.300 706 Q HN 0.110 nan 8.270 nan 0.000 0.448 707 P HA -0.208 nan 4.420 nan 0.000 0.220 707 P C 0.099 177.346 177.300 -0.088 0.000 1.148 707 P CA 1.274 64.322 63.100 -0.087 0.000 0.803 707 P CB 0.438 32.101 31.700 -0.063 0.000 0.782 708 E N 0.179 120.344 120.200 -0.057 0.000 2.209 708 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 708 E C 1.266 177.823 176.600 -0.072 0.000 0.993 708 E CA 0.934 57.307 56.400 -0.045 0.000 0.819 708 E CB -0.464 29.231 29.700 -0.009 0.000 0.745 708 E HN 0.319 nan 8.360 nan 0.000 0.477 709 D N 0.422 120.778 120.400 -0.073 0.000 2.378 709 D HA -0.075 4.565 4.640 -0.000 0.000 0.222 709 D C 1.179 177.457 176.300 -0.037 0.000 0.980 709 D CA 0.614 54.589 54.000 -0.042 0.000 0.907 709 D CB 0.051 40.861 40.800 0.016 0.000 0.899 709 D HN 0.228 nan 8.370 nan 0.000 0.527 710 L N 0.916 122.094 121.223 -0.076 0.000 2.672 710 L HA 0.112 4.452 4.340 -0.000 0.000 0.236 710 L C 0.399 177.198 176.870 -0.119 0.000 1.186 710 L CA -0.014 54.796 54.840 -0.050 0.000 0.977 710 L CB -0.311 41.677 42.059 -0.118 0.000 1.203 710 L HN -0.201 nan 8.230 nan 0.000 0.448 711 E N 2.443 122.556 120.200 -0.145 0.000 2.376 711 E HA 0.080 4.430 4.350 -0.000 0.000 0.266 711 E C -1.844 174.722 176.600 -0.057 0.000 1.009 711 E CA -1.695 54.645 56.400 -0.101 0.000 0.902 711 E CB 0.312 29.886 29.700 -0.211 0.000 0.972 711 E HN 0.054 nan 8.360 nan 0.000 0.439 723 V N 1.554 121.485 119.914 0.029 0.000 2.547 723 V HA 0.255 4.375 4.120 -0.000 0.000 0.299 723 V C 0.283 176.397 176.094 0.033 0.000 1.040 723 V CA -0.789 61.531 62.300 0.032 0.000 0.913 723 V CB 2.352 34.195 31.823 0.033 0.000 0.992 723 V HN -0.056 nan 8.190 nan 0.000 0.449 724 D N 6.400 126.822 120.400 0.037 0.000 2.402 724 D HA 0.041 4.681 4.640 -0.000 0.000 0.268 724 D C -1.035 175.286 176.300 0.035 0.000 1.294 724 D CA -1.192 52.830 54.000 0.038 0.000 0.945 724 D CB 1.470 42.297 40.800 0.044 0.000 1.112 724 D HN 0.351 nan 8.370 nan 0.000 0.517 725 P HA -0.079 nan 4.420 nan 0.000 0.230 725 P C 0.748 178.065 177.300 0.028 0.000 1.158 725 P CA 0.435 63.551 63.100 0.027 0.000 0.769 725 P CB 0.353 32.068 31.700 0.025 0.000 0.807 726 A N -0.123 122.717 122.820 0.032 0.000 2.030 726 A HA 0.026 4.346 4.320 -0.000 0.000 0.215 726 A C 1.343 178.951 177.584 0.039 0.000 1.164 726 A CA 0.397 52.454 52.037 0.033 0.000 0.697 726 A CB -0.503 18.519 19.000 0.036 0.000 0.827 726 A HN 0.152 nan 8.150 nan 0.000 0.457 727 K N 0.703 121.130 120.400 0.045 0.000 2.230 727 K HA 0.214 4.534 4.320 -0.000 0.000 0.253 727 K C 0.419 177.045 176.600 0.043 0.000 1.008 727 K CA -0.372 55.949 56.287 0.055 0.000 0.910 727 K CB 0.396 32.932 32.500 0.061 0.000 0.994 727 K HN 0.575 nan 8.250 nan 0.000 0.495 728 R N 0.858 121.387 120.500 0.049 0.000 2.577 728 R HA 0.267 4.607 4.340 -0.000 0.000 0.269 728 R C -0.311 176.011 176.300 0.036 0.000 1.084 728 R CA -0.499 55.618 56.100 0.030 0.000 1.163 728 R CB 0.196 30.513 30.300 0.028 0.000 1.100 728 R HN 0.426 nan 8.270 nan 0.000 0.547 729 I N 2.443 123.028 120.570 0.026 0.000 2.337 729 I HA 0.227 4.397 4.170 -0.000 0.000 0.291 729 I C 0.437 176.573 176.117 0.032 0.000 1.046 729 I CA -0.299 61.017 61.300 0.028 0.000 1.324 729 I CB 0.658 38.670 38.000 0.019 0.000 1.409 729 I HN 0.468 nan 8.210 nan 0.000 0.494 730 R N 4.496 125.018 120.500 0.037 0.000 2.758 730 R HA 0.700 5.040 4.340 -0.000 0.000 0.265 730 R C -0.433 175.885 176.300 0.030 0.000 1.016 730 R CA -0.944 55.178 56.100 0.037 0.000 1.040 730 R CB 1.766 32.094 30.300 0.047 0.000 1.152 730 R HN 0.298 nan 8.270 nan 0.000 0.503 731 V N 0.516 120.446 119.914 0.027 0.000 3.596 731 V HA 0.193 4.313 4.120 -0.000 0.000 0.288 731 V C 0.530 176.635 176.094 0.018 0.000 1.021 731 V CA -0.527 61.786 62.300 0.022 0.000 1.020 731 V CB 1.466 33.302 31.823 0.022 0.000 1.243 731 V HN 0.974 nan 8.190 nan 0.000 0.433 732 S N -0.210 115.477 115.700 -0.021 0.000 2.593 732 S HA 0.327 4.797 4.470 -0.000 0.000 0.297 732 S C 0.302 174.813 174.600 -0.148 0.000 1.112 732 S CA -0.567 57.556 58.200 -0.129 0.000 1.043 732 S CB 0.919 63.913 63.200 -0.344 0.000 1.054 732 S HN 0.927 nan 8.310 nan 0.000 0.516 733 H N 0.501 119.501 119.070 -0.117 0.000 2.933 733 H HA 0.100 4.655 4.556 -0.000 0.000 0.306 733 H C -0.408 174.896 175.328 -0.039 0.000 1.142 733 H CA -0.309 55.742 56.048 0.005 0.000 1.193 733 H CB -1.092 28.710 29.762 0.068 0.000 1.330 733 H HN 0.639 nan 8.280 nan 0.000 0.585 734 H N 1.597 120.565 119.070 -0.170 0.000 4.163 734 H HA 0.351 4.907 4.556 -0.000 0.000 0.214 734 H C 0.143 175.365 175.328 -0.176 0.000 1.465 734 H CA 0.643 56.590 56.048 -0.169 0.000 1.517 734 H CB -0.706 28.971 29.762 -0.142 0.000 1.790 734 H HN 0.680 nan 8.280 nan 0.000 0.743 735 A N 0.707 123.458 122.820 -0.115 0.000 2.549 735 A HA 0.549 4.869 4.320 -0.000 0.000 0.297 735 A C 0.424 177.829 177.584 -0.298 0.000 1.061 735 A CA -0.605 51.179 52.037 -0.421 0.000 0.690 735 A CB 1.488 19.721 19.000 -1.278 0.000 1.287 735 A HN 0.324 nan 8.150 nan 0.000 0.402 736 T N 0.472 114.858 114.554 -0.280 0.000 3.502 736 T HA 0.131 4.481 4.350 -0.000 0.000 0.310 736 T C 0.665 175.289 174.700 -0.126 0.000 0.902 736 T CA 0.737 62.762 62.100 -0.124 0.000 0.964 736 T CB 0.229 69.073 68.868 -0.040 0.000 1.200 736 T HN 0.588 nan 8.240 nan 0.000 0.599 737 T N 1.010 115.420 114.554 -0.240 0.000 2.990 737 T HA 0.361 4.710 4.350 -0.000 0.000 0.250 737 T C 0.557 175.232 174.700 -0.042 0.000 1.041 737 T CA -0.362 61.656 62.100 -0.137 0.000 1.010 737 T CB -0.128 68.653 68.868 -0.145 0.000 1.003 737 T HN 0.396 nan 8.240 nan 0.000 0.499 738 F N 2.906 122.858 119.950 0.003 0.000 2.517 738 F HA -0.137 4.390 4.527 -0.000 0.000 0.398 738 F C 1.992 177.783 175.800 -0.014 0.000 1.005 738 F CA 0.338 58.339 58.000 0.002 0.000 1.221 738 F CB 0.488 39.479 39.000 -0.015 0.000 0.936 738 F HN 0.151 nan 8.300 nan 0.000 0.557 739 T N -1.634 113.067 114.554 0.246 0.000 2.958 739 T HA 0.257 4.607 4.350 -0.000 0.000 0.256 739 T C -0.142 174.391 174.700 -0.278 0.000 0.983 739 T CA -0.035 62.086 62.100 0.036 0.000 0.924 739 T CB 0.112 69.078 68.868 0.163 0.000 1.136 739 T HN 0.614 nan 8.240 nan 0.000 0.506 740 H N -0.681 118.432 119.070 0.071 0.000 2.990 740 H HA 0.730 5.286 4.556 -0.000 0.000 0.336 740 H C -1.412 173.895 175.328 -0.035 0.000 1.306 740 H CA -0.901 55.167 56.048 0.033 0.000 1.118 740 H CB 1.752 31.537 29.762 0.038 0.000 1.856 740 H HN 0.333 nan 8.280 nan 0.000 0.538 741 C N 1.406 120.789 119.300 0.138 0.000 2.686 741 C HA 0.385 4.845 4.460 -0.000 0.000 0.318 741 C C -0.897 174.146 174.990 0.087 0.000 1.160 741 C CA -0.635 58.406 59.018 0.038 0.000 1.396 741 C CB 0.839 28.592 27.740 0.021 0.000 1.924 741 C HN 0.744 nan 8.230 nan 0.000 0.471 742 E N 3.971 124.173 120.200 0.003 0.000 2.415 742 E HA 0.067 4.417 4.350 -0.000 0.000 0.263 742 E C 1.180 177.715 176.600 -0.108 0.000 0.995 742 E CA 0.297 56.670 56.400 -0.045 0.000 0.915 742 E CB 0.779 30.464 29.700 -0.025 0.000 0.951 742 E HN 0.685 nan 8.360 nan 0.000 0.449 743 I N 1.487 121.850 120.570 -0.344 0.000 2.163 743 I HA -0.251 3.919 4.170 -0.000 0.000 0.243 743 I C 0.863 176.861 176.117 -0.198 0.000 1.085 743 I CA 1.411 62.382 61.300 -0.548 0.000 1.347 743 I CB -0.092 37.506 38.000 -0.670 0.000 1.044 743 I HN 0.499 nan 8.210 nan 0.000 0.408 744 H N -0.492 118.404 119.070 -0.290 0.000 3.163 744 H HA 0.137 4.693 4.556 -0.000 0.000 0.322 744 H C -2.117 173.131 175.328 -0.132 0.000 1.047 744 H CA -1.028 54.882 56.048 -0.229 0.000 1.418 744 H CB 1.693 31.171 29.762 -0.473 0.000 2.016 744 H HN -0.273 nan 8.280 nan 0.000 0.454 745 P HA -0.202 nan 4.420 nan 0.000 0.218 745 P C 1.134 178.426 177.300 -0.012 0.000 1.146 745 P CA 1.721 64.681 63.100 -0.233 0.000 0.813 745 P CB 0.211 31.638 31.700 -0.456 0.000 0.778 746 S N -1.728 114.229 115.700 0.427 0.000 2.595 746 S HA -0.017 4.453 4.470 -0.000 0.000 0.235 746 S C 1.606 176.354 174.600 0.247 0.000 0.974 746 S CA 0.471 59.009 58.200 0.563 0.000 0.942 746 S CB -0.956 62.659 63.200 0.691 0.000 0.766 746 S HN -0.046 nan 8.310 nan 0.000 0.536 747 M N 1.736 121.388 119.600 0.087 0.000 2.628 747 M HA 0.306 4.786 4.480 -0.000 0.000 0.232 747 M C 1.520 177.722 176.300 -0.164 0.000 1.128 747 M CA 0.154 55.429 55.300 -0.042 0.000 1.040 747 M CB -1.036 31.482 32.600 -0.136 0.000 1.608 747 M HN 0.630 nan 8.290 nan 0.000 0.507 748 I N -2.578 117.848 120.570 -0.241 0.000 3.059 748 I HA 0.056 4.226 4.170 -0.000 0.000 0.270 748 I C 0.656 176.629 176.117 -0.240 0.000 1.238 748 I CA 0.141 61.188 61.300 -0.421 0.000 1.478 748 I CB -0.100 37.429 38.000 -0.786 0.000 1.097 748 I HN -0.030 nan 8.210 nan 0.000 0.455 749 L N 1.769 122.925 121.223 -0.111 0.000 2.439 749 L HA 0.504 4.844 4.340 -0.000 0.000 0.261 749 L C 1.057 177.890 176.870 -0.062 0.000 1.153 749 L CA -0.242 54.558 54.840 -0.067 0.000 0.808 749 L CB 0.608 42.661 42.059 -0.010 0.000 1.126 749 L HN 0.171 nan 8.230 nan 0.000 0.460 750 G N 0.268 109.031 108.800 -0.060 0.000 2.606 750 G HA2 0.398 4.358 3.960 -0.000 0.000 0.262 750 G HA3 0.398 4.358 3.960 -0.000 0.000 0.262 750 G C 0.883 175.765 174.900 -0.031 0.000 1.394 750 G CA -0.499 44.571 45.100 -0.049 0.000 1.044 750 G HN 0.363 nan 8.290 nan 0.000 0.553 751 V N 0.896 120.794 119.914 -0.027 0.000 2.244 751 V HA -0.126 3.994 4.120 -0.000 0.000 0.244 751 V C 3.341 179.416 176.094 -0.032 0.000 1.042 751 V CA 2.577 64.864 62.300 -0.022 0.000 1.006 751 V CB -1.145 30.668 31.823 -0.016 0.000 0.641 751 V HN 0.770 nan 8.190 nan 0.000 0.446 752 A N 0.117 122.919 122.820 -0.031 0.000 1.883 752 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 752 A C 2.367 179.913 177.584 -0.062 0.000 1.186 752 A CA 2.345 54.361 52.037 -0.036 0.000 0.624 752 A CB -0.898 18.088 19.000 -0.023 0.000 0.822 752 A HN 0.607 nan 8.150 nan 0.000 0.444 753 A N -0.894 121.892 122.820 -0.057 0.000 2.014 753 A HA 0.039 4.359 4.320 -0.000 0.000 0.218 753 A C 2.222 179.758 177.584 -0.080 0.000 1.163 753 A CA 1.601 53.599 52.037 -0.064 0.000 0.652 753 A CB -0.645 18.325 19.000 -0.050 0.000 0.808 753 A HN 0.421 nan 8.150 nan 0.000 0.449 754 S N -0.503 115.153 115.700 -0.073 0.000 2.547 754 S HA 0.043 4.513 4.470 -0.000 0.000 0.235 754 S C 1.327 175.831 174.600 -0.159 0.000 0.980 754 S CA 0.777 58.932 58.200 -0.075 0.000 0.941 754 S CB -0.331 62.851 63.200 -0.031 0.000 0.763 754 S HN 0.586 nan 8.310 nan 0.000 0.532 755 I N 0.508 120.951 120.570 -0.212 0.000 3.860 755 I HA 0.190 4.359 4.170 -0.000 0.000 0.319 755 I C 0.003 175.924 176.117 -0.327 0.000 1.279 755 I CA 0.201 61.278 61.300 -0.372 0.000 1.220 755 I CB 0.290 38.012 38.000 -0.463 0.000 1.027 755 I HN 0.136 nan 8.210 nan 0.000 0.428 756 I N 4.275 124.715 120.570 -0.217 0.000 2.471 756 I HA 0.127 4.297 4.170 -0.000 0.000 0.286 756 I C -2.045 173.970 176.117 -0.169 0.000 1.079 756 I CA -1.638 59.551 61.300 -0.185 0.000 1.398 756 I CB 0.569 38.511 38.000 -0.098 0.000 1.403 756 I HN -0.169 nan 8.210 nan 0.000 0.530 757 P HA 0.144 nan 4.420 nan 0.000 0.285 757 P C -0.242 177.051 177.300 -0.012 0.000 1.259 757 P CA -0.199 62.775 63.100 -0.211 0.000 0.794 757 P CB 0.493 32.074 31.700 -0.198 0.000 0.940 758 F N 1.182 121.091 119.950 -0.068 0.000 3.027 758 F HA -0.177 4.350 4.527 -0.000 0.000 0.276 758 F C -0.791 175.007 175.800 -0.003 0.000 0.967 758 F CA -0.389 57.563 58.000 -0.080 0.000 0.929 758 F CB -1.606 37.273 39.000 -0.201 0.000 0.873 758 F HN 0.366 nan 8.300 nan 0.000 0.787 759 P HA -0.188 nan 4.420 nan 0.000 0.221 759 P C 0.961 178.294 177.300 0.055 0.000 1.145 759 P CA 2.047 65.183 63.100 0.060 0.000 0.795 759 P CB -0.024 31.660 31.700 -0.028 0.000 0.775 760 D N -2.101 118.316 120.400 0.029 0.000 2.352 760 D HA -0.137 4.503 4.640 -0.000 0.000 0.232 760 D C 1.180 177.518 176.300 0.063 0.000 1.055 760 D CA 0.572 54.579 54.000 0.013 0.000 0.891 760 D CB -1.308 39.411 40.800 -0.134 0.000 0.897 760 D HN 0.372 nan 8.370 nan 0.000 0.529 761 H N -0.992 118.081 119.070 0.005 0.000 2.784 761 H HA 0.240 4.796 4.556 -0.000 0.000 0.273 761 H C -0.075 175.240 175.328 -0.022 0.000 1.112 761 H CA -0.548 55.485 56.048 -0.026 0.000 1.162 761 H CB 0.591 30.301 29.762 -0.086 0.000 1.586 761 H HN -0.013 nan 8.280 nan 0.000 0.548 762 N N 1.383 120.143 118.700 0.100 0.000 2.443 762 N HA 0.058 4.798 4.740 -0.000 0.000 0.293 762 N C -0.095 175.428 175.510 0.022 0.000 1.159 762 N CA -0.395 52.690 53.050 0.058 0.000 0.904 762 N CB 2.006 40.544 38.487 0.084 0.000 1.214 762 N HN 0.289 nan 8.380 nan 0.000 0.513 763 Q N 0.279 120.081 119.800 0.004 0.000 2.352 763 Q HA 0.086 4.426 4.340 -0.000 0.000 0.260 763 Q C 0.859 176.834 176.000 -0.041 0.000 0.976 763 Q CA 0.015 55.808 55.803 -0.017 0.000 0.881 763 Q CB 0.794 29.520 28.738 -0.021 0.000 1.235 763 Q HN 0.609 nan 8.270 nan 0.000 0.419 764 S N 3.997 119.671 115.700 -0.044 0.000 2.368 764 S HA -0.115 4.355 4.470 -0.000 0.000 0.226 764 S C -0.914 173.600 174.600 -0.143 0.000 1.044 764 S CA 1.827 59.989 58.200 -0.064 0.000 1.062 764 S CB -0.809 62.366 63.200 -0.042 0.000 0.931 764 S HN 0.800 nan 8.310 nan 0.000 0.440 765 P HA -0.104 nan 4.420 nan 0.000 0.219 765 P C 1.082 177.932 177.300 -0.751 0.000 1.146 765 P CA 0.965 63.798 63.100 -0.444 0.000 0.808 765 P CB -0.173 31.284 31.700 -0.404 0.000 0.779 766 R N -0.281 119.959 120.500 -0.433 0.000 2.148 766 R HA -0.015 4.325 4.340 -0.000 0.000 0.227 766 R C 1.924 178.149 176.300 -0.125 0.000 1.103 766 R CA 0.686 56.631 56.100 -0.258 0.000 0.983 766 R CB -1.041 29.245 30.300 -0.023 0.000 0.874 766 R HN 0.295 nan 8.270 nan 0.000 0.451 767 N N -0.011 118.622 118.700 -0.112 0.000 2.188 767 N HA -0.087 4.653 4.740 -0.000 0.000 0.184 767 N C 1.569 177.043 175.510 -0.060 0.000 1.018 767 N CA 1.446 54.465 53.050 -0.050 0.000 0.858 767 N CB -0.313 38.151 38.487 -0.039 0.000 0.989 767 N HN 0.141 nan 8.380 nan 0.000 0.426 768 T N 0.736 115.216 114.554 -0.124 0.000 2.746 768 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 768 T C 1.770 176.510 174.700 0.065 0.000 1.039 768 T CA 0.932 62.993 62.100 -0.065 0.000 1.142 768 T CB -0.445 68.358 68.868 -0.108 0.000 0.866 768 T HN 0.366 nan 8.240 nan 0.000 0.444 769 Y N 1.162 121.459 120.300 -0.005 0.000 2.128 769 Y HA -0.252 4.298 4.550 -0.000 0.000 0.284 769 Y C 3.055 178.946 175.900 -0.016 0.000 1.154 769 Y CA 0.871 58.966 58.100 -0.008 0.000 1.149 769 Y CB -0.245 38.216 38.460 0.001 0.000 0.976 769 Y HN 0.172 nan 8.280 nan 0.000 0.505 770 Q N 0.862 120.749 119.800 0.145 0.000 2.061 770 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 770 Q C 2.112 178.126 176.000 0.024 0.000 0.984 770 Q CA 2.346 58.181 55.803 0.052 0.000 0.846 770 Q CB -0.632 28.105 28.738 -0.001 0.000 0.902 770 Q HN 0.237 nan 8.270 nan 0.000 0.421 771 S N 0.134 115.844 115.700 0.017 0.000 2.440 771 S HA -0.160 4.310 4.470 -0.000 0.000 0.240 771 S C 1.757 176.365 174.600 0.014 0.000 1.014 771 S CA 0.978 59.179 58.200 0.002 0.000 0.980 771 S CB -0.495 62.699 63.200 -0.009 0.000 0.775 771 S HN 0.591 nan 8.310 nan 0.000 0.499 772 A N 1.445 124.286 122.820 0.034 0.000 1.861 772 A HA 0.145 4.465 4.320 -0.000 0.000 0.212 772 A C 2.098 179.689 177.584 0.011 0.000 1.199 772 A CA 0.867 52.918 52.037 0.024 0.000 0.613 772 A CB -0.491 18.531 19.000 0.038 0.000 0.846 772 A HN 0.434 nan 8.150 nan 0.000 0.446 773 M N -0.209 119.399 119.600 0.012 0.000 2.213 773 M HA -0.090 4.390 4.480 -0.000 0.000 0.263 773 M C 2.178 178.480 176.300 0.003 0.000 1.062 773 M CA 1.208 56.505 55.300 -0.006 0.000 1.105 773 M CB -0.560 32.035 32.600 -0.008 0.000 1.385 773 M HN 0.527 nan 8.290 nan 0.000 0.417 774 G N 0.840 109.652 108.800 0.020 0.000 2.479 774 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.220 774 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.220 774 G C 1.504 176.447 174.900 0.072 0.000 1.115 774 G CA 0.696 45.827 45.100 0.052 0.000 0.757 774 G HN 0.444 nan 8.290 nan 0.000 0.560 775 K N -0.329 120.103 120.400 0.053 0.000 2.487 775 K HA 0.118 4.438 4.320 -0.000 0.000 0.192 775 K C 1.627 178.248 176.600 0.035 0.000 1.027 775 K CA 0.266 56.608 56.287 0.091 0.000 1.054 775 K CB 0.310 32.860 32.500 0.083 0.000 0.824 775 K HN 0.315 nan 8.250 nan 0.000 0.510 776 Q N -0.199 119.581 119.800 -0.033 0.000 2.159 776 Q HA 0.242 4.582 4.340 -0.000 0.000 0.217 776 Q C -0.361 175.581 176.000 -0.097 0.000 0.818 776 Q CA -0.435 55.290 55.803 -0.130 0.000 1.008 776 Q CB 1.422 30.090 28.738 -0.117 0.000 1.148 776 Q HN 0.176 nan 8.270 nan 0.000 0.491 777 A N 0.764 123.572 122.820 -0.019 0.000 2.257 777 A HA 0.638 4.958 4.320 -0.000 0.000 0.289 777 A C -0.258 177.343 177.584 0.029 0.000 1.095 777 A CA -0.289 51.750 52.037 0.003 0.000 0.836 777 A CB 0.544 19.584 19.000 0.066 0.000 1.111 777 A HN 0.246 nan 8.150 nan 0.000 0.497 778 M N 0.575 120.198 119.600 0.038 0.000 2.364 778 M HA 0.534 5.014 4.480 -0.000 0.000 0.334 778 M C 0.641 176.991 176.300 0.082 0.000 1.107 778 M CA 0.040 55.380 55.300 0.067 0.000 0.988 778 M CB 2.101 34.736 32.600 0.057 0.000 1.673 778 M HN 0.933 nan 8.290 nan 0.000 0.441 779 G N 1.398 110.251 108.800 0.089 0.000 3.433 779 G HA2 0.582 4.542 3.960 -0.000 0.000 0.173 779 G HA3 0.582 4.542 3.960 -0.000 0.000 0.173 779 G C -1.316 173.594 174.900 0.016 0.000 1.196 779 G CA -0.309 44.814 45.100 0.039 0.000 1.062 779 G HN 0.451 nan 8.290 nan 0.000 0.699 780 V N 2.286 122.192 119.914 -0.014 0.000 2.670 780 V HA 0.198 4.318 4.120 -0.000 0.000 0.258 780 V C 0.700 176.747 176.094 -0.078 0.000 0.906 780 V CA -0.430 61.813 62.300 -0.095 0.000 0.887 780 V CB 0.318 32.054 31.823 -0.144 0.000 1.059 780 V HN 0.746 nan 8.190 nan 0.000 0.484 781 F N 2.260 122.223 119.950 0.021 0.000 2.184 781 F HA 0.080 4.607 4.527 -0.000 0.000 0.301 781 F C 0.375 176.251 175.800 0.127 0.000 1.076 781 F CA 1.446 59.493 58.000 0.080 0.000 1.295 781 F CB -0.031 38.993 39.000 0.039 0.000 1.026 781 F HN 0.240 nan 8.300 nan 0.000 0.494 782 L N -0.194 120.643 121.223 -0.643 0.000 2.582 782 L HA 0.176 4.515 4.340 -0.000 0.000 0.257 782 L C 0.964 177.630 176.870 -0.341 0.000 0.974 782 L CA -0.100 54.524 54.840 -0.359 0.000 0.851 782 L CB 2.180 44.095 42.059 -0.241 0.000 1.424 782 L HN 0.069 nan 8.230 nan 0.000 0.412 783 T N -3.088 111.366 114.554 -0.167 0.000 3.085 783 T HA -0.053 4.297 4.350 -0.000 0.000 0.263 783 T C 0.874 175.458 174.700 -0.193 0.000 1.127 783 T CA 0.783 62.810 62.100 -0.122 0.000 1.103 783 T CB -0.370 68.505 68.868 0.012 0.000 0.921 783 T HN 0.635 nan 8.240 nan 0.000 0.510 784 N N 1.035 119.621 118.700 -0.190 0.000 2.320 784 N HA 0.006 4.746 4.740 -0.000 0.000 0.237 784 N C 1.116 176.483 175.510 -0.237 0.000 1.129 784 N CA -0.605 52.328 53.050 -0.195 0.000 0.854 784 N CB -0.718 37.712 38.487 -0.095 0.000 1.083 784 N HN 0.648 nan 8.380 nan 0.000 0.504 785 Y N -0.319 119.785 120.300 -0.327 0.000 2.256 785 Y HA -0.001 4.549 4.550 -0.000 0.000 0.288 785 Y C 1.800 177.549 175.900 -0.253 0.000 1.155 785 Y CA 1.001 58.900 58.100 -0.336 0.000 1.203 785 Y CB -0.943 37.195 38.460 -0.536 0.000 0.980 785 Y HN 0.048 nan 8.280 nan 0.000 0.530 786 N N 0.847 119.205 118.700 -0.569 0.000 2.396 786 N HA -0.092 4.648 4.740 -0.000 0.000 0.180 786 N C 1.353 176.744 175.510 -0.198 0.000 1.028 786 N CA 1.230 54.056 53.050 -0.375 0.000 0.893 786 N CB 0.061 38.273 38.487 -0.458 0.000 0.967 786 N HN 0.413 nan 8.380 nan 0.000 0.440 787 V N 0.683 120.500 119.914 -0.163 0.000 3.471 787 V HA 0.119 4.239 4.120 -0.000 0.000 0.258 787 V C 0.862 176.930 176.094 -0.044 0.000 1.192 787 V CA 0.333 62.579 62.300 -0.089 0.000 1.116 787 V CB -0.029 31.747 31.823 -0.079 0.000 0.792 787 V HN 0.162 nan 8.190 nan 0.000 0.459 788 R N 0.435 120.922 120.500 -0.021 0.000 2.500 788 R HA 0.492 4.832 4.340 -0.000 0.000 0.275 788 R C -0.288 176.016 176.300 0.007 0.000 1.051 788 R CA -0.174 55.940 56.100 0.022 0.000 1.088 788 R CB 0.567 30.926 30.300 0.098 0.000 1.063 788 R HN 0.087 nan 8.270 nan 0.000 0.511 789 M N 3.276 122.882 119.600 0.011 0.000 2.386 789 M HA 0.169 4.649 4.480 -0.000 0.000 0.245 789 M C -1.368 174.935 176.300 0.005 0.000 0.982 789 M CA -0.889 54.416 55.300 0.008 0.000 0.860 789 M CB 0.484 33.097 32.600 0.022 0.000 1.371 789 M HN 0.641 nan 8.290 nan 0.000 0.425 790 D N -0.813 119.579 120.400 -0.015 0.000 2.272 790 D HA 0.456 5.095 4.640 -0.000 0.000 0.247 790 D C 0.956 177.217 176.300 -0.065 0.000 0.990 790 D CA -0.524 53.450 54.000 -0.044 0.000 0.931 790 D CB 0.769 41.516 40.800 -0.087 0.000 1.195 790 D HN 0.135 nan 8.370 nan 0.000 0.477 791 T N -0.003 114.508 114.554 -0.072 0.000 2.565 791 T HA -0.185 4.165 4.350 -0.000 0.000 0.265 791 T C 0.800 175.424 174.700 -0.126 0.000 1.082 791 T CA 1.288 63.333 62.100 -0.092 0.000 1.173 791 T CB -0.314 68.513 68.868 -0.069 0.000 0.864 791 T HN 0.420 nan 8.240 nan 0.000 0.425 792 M N -0.470 119.061 119.600 -0.114 0.000 2.572 792 M HA 0.621 5.101 4.480 -0.000 0.000 0.299 792 M C -1.513 174.712 176.300 -0.125 0.000 1.205 792 M CA -0.864 54.356 55.300 -0.132 0.000 0.876 792 M CB 2.756 35.356 32.600 -0.001 0.000 1.728 792 M HN 0.232 nan 8.290 nan 0.000 0.458 793 A N 2.247 125.001 122.820 -0.111 0.000 2.566 793 A HA 0.737 5.057 4.320 -0.000 0.000 0.297 793 A C -1.834 175.853 177.584 0.172 0.000 1.059 793 A CA -0.885 51.168 52.037 0.026 0.000 0.691 793 A CB 1.618 20.688 19.000 0.117 0.000 1.282 793 A HN 0.850 nan 8.150 nan 0.000 0.401 794 N N 1.097 119.923 118.700 0.210 0.000 2.410 794 N HA 0.552 5.292 4.740 -0.000 0.000 0.287 794 N C -1.823 173.785 175.510 0.163 0.000 1.044 794 N CA -0.238 52.943 53.050 0.218 0.000 0.881 794 N CB 1.928 40.523 38.487 0.180 0.000 1.405 794 N HN 0.458 nan 8.380 nan 0.000 0.490 795 I N 2.297 122.931 120.570 0.107 0.000 2.436 795 I HA 0.272 4.442 4.170 -0.000 0.000 0.289 795 I C -0.197 175.954 176.117 0.058 0.000 1.010 795 I CA -0.561 60.728 61.300 -0.018 0.000 1.098 795 I CB 1.663 39.459 38.000 -0.340 0.000 1.266 795 I HN 0.308 nan 8.210 nan 0.000 0.434 796 L N 6.207 127.464 121.223 0.057 0.000 2.426 796 L HA 0.118 4.458 4.340 -0.000 0.000 0.271 796 L C 0.641 177.574 176.870 0.105 0.000 1.169 796 L CA 0.676 55.580 54.840 0.107 0.000 0.836 796 L CB 0.169 42.281 42.059 0.088 0.000 1.112 796 L HN 0.474 nan 8.230 nan 0.000 0.465 797 Y N 3.237 123.457 120.300 -0.134 0.000 2.092 797 Y HA -0.128 4.422 4.550 -0.000 0.000 0.282 797 Y C 0.458 176.038 175.900 -0.532 0.000 1.126 797 Y CA 1.483 59.363 58.100 -0.367 0.000 1.111 797 Y CB -0.339 37.860 38.460 -0.436 0.000 0.987 797 Y HN 0.491 nan 8.280 nan 0.000 0.489 798 Y N 0.341 120.736 120.300 0.157 0.000 2.836 798 Y HA 0.360 4.910 4.550 -0.000 0.000 0.359 798 Y C -2.325 173.571 175.900 -0.007 0.000 1.060 798 Y CA -3.045 55.081 58.100 0.044 0.000 1.161 798 Y CB 0.030 38.501 38.460 0.020 0.000 1.225 798 Y HN -0.033 nan 8.280 nan 0.000 0.621 799 P HA 0.040 nan 4.420 nan 0.000 0.267 799 P C -0.503 176.828 177.300 0.050 0.000 1.200 799 P CA 0.251 63.373 63.100 0.036 0.000 0.772 799 P CB 0.723 32.411 31.700 -0.020 0.000 0.855 800 Q N 1.138 120.984 119.800 0.076 0.000 2.423 800 Q HA 0.339 4.679 4.340 -0.000 0.000 0.278 800 Q C -0.430 175.648 176.000 0.131 0.000 1.097 800 Q CA -1.187 54.671 55.803 0.092 0.000 0.809 800 Q CB 2.462 31.263 28.738 0.105 0.000 1.391 800 Q HN 0.385 nan 8.270 nan 0.000 0.428 801 K N 0.903 121.327 120.400 0.040 0.000 2.234 801 K HA 0.431 4.751 4.320 -0.000 0.000 0.282 801 K C -2.460 174.086 176.600 -0.090 0.000 1.039 801 K CA -1.772 54.501 56.287 -0.024 0.000 0.928 801 K CB 0.578 33.045 32.500 -0.056 0.000 1.039 801 K HN 0.203 nan 8.250 nan 0.000 0.470 802 P HA -0.041 nan 4.420 nan 0.000 0.267 802 P C 0.568 177.691 177.300 -0.294 0.000 1.209 802 P CA -0.030 62.677 63.100 -0.655 0.000 0.763 802 P CB 0.770 31.710 31.700 -1.267 0.000 0.816 803 L N 2.632 123.752 121.223 -0.171 0.000 2.081 803 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 803 L C 1.708 178.481 176.870 -0.162 0.000 1.080 803 L CA 1.918 56.682 54.840 -0.127 0.000 0.754 803 L CB -0.816 41.193 42.059 -0.084 0.000 0.893 803 L HN 0.529 nan 8.230 nan 0.000 0.433 804 G N -0.356 108.325 108.800 -0.200 0.000 2.607 804 G HA2 0.408 4.368 3.960 -0.000 0.000 0.332 804 G HA3 0.408 4.368 3.960 -0.000 0.000 0.332 804 G C 0.102 174.820 174.900 -0.304 0.000 1.046 804 G CA -0.076 44.886 45.100 -0.230 0.000 1.099 804 G HN 0.148 nan 8.290 nan 0.000 0.451 805 T N -0.683 113.698 114.554 -0.288 0.000 2.888 805 T HA 0.766 5.116 4.350 -0.000 0.000 0.283 805 T C 0.137 174.638 174.700 -0.331 0.000 1.013 805 T CA -0.551 61.370 62.100 -0.298 0.000 0.938 805 T CB 2.116 70.843 68.868 -0.234 0.000 1.298 805 T HN 0.221 nan 8.240 nan 0.000 0.580 806 T N -0.537 113.833 114.554 -0.306 0.000 2.906 806 T HA 0.459 4.809 4.350 -0.000 0.000 0.295 806 T C 0.958 175.470 174.700 -0.315 0.000 1.061 806 T CA -0.843 61.078 62.100 -0.300 0.000 1.000 806 T CB 1.851 70.562 68.868 -0.261 0.000 1.103 806 T HN 0.486 nan 8.240 nan 0.000 0.486 807 R N 1.288 121.537 120.500 -0.417 0.000 2.092 807 R HA 0.066 4.406 4.340 -0.000 0.000 0.231 807 R C 2.244 178.340 176.300 -0.341 0.000 1.119 807 R CA 1.341 57.028 56.100 -0.689 0.000 0.970 807 R CB -1.032 28.255 30.300 -1.688 0.000 0.864 807 R HN 0.677 nan 8.270 nan 0.000 0.440 808 A N 0.731 123.522 122.820 -0.048 0.000 1.969 808 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 808 A C 2.169 179.833 177.584 0.133 0.000 1.169 808 A CA 1.108 53.304 52.037 0.265 0.000 0.635 808 A CB -0.446 18.681 19.000 0.211 0.000 0.810 808 A HN 0.243 nan 8.150 nan 0.000 0.445 809 M N -0.446 119.122 119.600 -0.054 0.000 2.426 809 M HA -0.222 4.258 4.480 -0.000 0.000 0.261 809 M C 1.903 178.154 176.300 -0.081 0.000 1.068 809 M CA 1.944 57.193 55.300 -0.086 0.000 1.066 809 M CB -0.148 32.348 32.600 -0.172 0.000 1.399 809 M HN 0.685 nan 8.290 nan 0.000 0.449 810 E N -0.563 119.513 120.200 -0.206 0.000 2.107 810 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 810 E C 0.980 177.319 176.600 -0.436 0.000 0.982 810 E CA 1.183 57.351 56.400 -0.387 0.000 0.809 810 E CB -0.037 29.283 29.700 -0.634 0.000 0.756 810 E HN 0.685 nan 8.360 nan 0.000 0.459 811 Y N -0.074 120.186 120.300 -0.066 0.000 2.490 811 Y HA 0.140 4.690 4.550 -0.000 0.000 0.281 811 Y C 1.527 177.347 175.900 -0.133 0.000 1.174 811 Y CA 0.200 58.200 58.100 -0.166 0.000 1.295 811 Y CB 0.257 38.402 38.460 -0.525 0.000 1.062 811 Y HN 0.041 nan 8.280 nan 0.000 0.522 812 L N -0.165 121.095 121.223 0.061 0.000 2.640 812 L HA 0.102 4.442 4.340 -0.000 0.000 0.230 812 L C 0.467 177.479 176.870 0.237 0.000 1.123 812 L CA 0.080 55.011 54.840 0.153 0.000 0.900 812 L CB 0.057 42.198 42.059 0.136 0.000 1.146 812 L HN 0.028 nan 8.230 nan 0.000 0.484 813 K N -1.084 119.384 120.400 0.113 0.000 3.160 813 K HA -0.267 4.053 4.320 -0.000 0.000 0.280 813 K C 0.737 177.308 176.600 -0.048 0.000 1.154 813 K CA 0.700 56.995 56.287 0.012 0.000 0.822 813 K CB -2.592 29.849 32.500 -0.099 0.000 1.239 813 K HN 0.230 nan 8.250 nan 0.000 0.489 814 F N 1.444 121.349 119.950 -0.075 0.000 2.171 814 F HA -0.095 4.432 4.527 -0.000 0.000 0.300 814 F C 2.315 178.049 175.800 -0.110 0.000 1.090 814 F CA 1.590 59.546 58.000 -0.073 0.000 1.293 814 F CB 0.082 39.044 39.000 -0.063 0.000 1.013 814 F HN 0.113 nan 8.300 nan 0.000 0.486 815 R N -0.368 120.125 120.500 -0.012 0.000 2.189 815 R HA -0.109 4.231 4.340 -0.000 0.000 0.218 815 R C 1.743 177.950 176.300 -0.154 0.000 1.074 815 R CA 1.325 57.377 56.100 -0.080 0.000 0.991 815 R CB -0.213 30.055 30.300 -0.054 0.000 0.883 815 R HN 0.236 nan 8.270 nan 0.000 0.457 816 E N 0.179 120.258 120.200 -0.202 0.000 2.086 816 E HA 0.063 4.413 4.350 -0.000 0.000 0.190 816 E C 0.192 176.508 176.600 -0.473 0.000 0.975 816 E CA 0.800 57.028 56.400 -0.287 0.000 0.813 816 E CB 0.417 29.955 29.700 -0.270 0.000 0.768 816 E HN 0.136 nan 8.360 nan 0.000 0.457 817 L N 2.051 122.938 121.223 -0.559 0.000 2.556 817 L HA 0.371 4.711 4.340 -0.000 0.000 0.243 817 L C -2.377 174.196 176.870 -0.495 0.000 1.331 817 L CA -1.632 52.884 54.840 -0.540 0.000 0.927 817 L CB 1.150 42.780 42.059 -0.715 0.000 1.219 817 L HN -0.021 nan 8.230 nan 0.000 0.490 818 P HA 0.424 nan 4.420 nan 0.000 0.279 818 P C -0.846 176.237 177.300 -0.362 0.000 1.282 818 P CA -0.425 62.264 63.100 -0.684 0.000 0.788 818 P CB 1.804 33.263 31.700 -0.402 0.000 1.139 819 A N -0.678 122.005 122.820 -0.228 0.000 2.408 819 A HA 0.714 5.034 4.320 -0.000 0.000 0.295 819 A C -0.078 177.545 177.584 0.066 0.000 1.040 819 A CA -0.036 52.008 52.037 0.011 0.000 0.707 819 A CB 0.797 19.850 19.000 0.089 0.000 1.235 819 A HN 0.935 nan 8.150 nan 0.000 0.418 820 G N 1.170 109.983 108.800 0.022 0.000 2.661 820 G HA2 0.224 4.184 3.960 -0.000 0.000 0.685 820 G HA3 0.224 4.184 3.960 -0.000 0.000 0.685 820 G C -0.889 173.877 174.900 -0.223 0.000 1.298 820 G CA -0.206 44.826 45.100 -0.112 0.000 0.855 820 G HN 1.143 nan 8.290 nan 0.000 0.560 821 Q N -0.750 118.885 119.800 -0.274 0.000 2.605 821 Q HA 0.481 4.821 4.340 -0.000 0.000 0.296 821 Q C -0.598 175.403 176.000 0.002 0.000 1.056 821 Q CA -1.145 54.569 55.803 -0.147 0.000 0.778 821 Q CB 1.546 30.051 28.738 -0.388 0.000 1.497 821 Q HN 0.491 nan 8.270 nan 0.000 0.443 822 N N 0.907 119.674 118.700 0.111 0.000 2.521 822 N HA 0.326 5.066 4.740 -0.000 0.000 0.236 822 N C -1.207 174.317 175.510 0.022 0.000 1.067 822 N CA 0.045 53.185 53.050 0.151 0.000 0.939 822 N CB 1.166 39.723 38.487 0.116 0.000 1.201 822 N HN 0.521 nan 8.380 nan 0.000 0.511 823 A N 3.110 125.968 122.820 0.064 0.000 2.327 823 A HA 0.379 4.698 4.320 -0.000 0.000 0.283 823 A C 0.431 177.962 177.584 -0.089 0.000 1.127 823 A CA -0.529 51.494 52.037 -0.023 0.000 0.810 823 A CB 0.548 19.553 19.000 0.010 0.000 1.066 823 A HN 0.500 nan 8.150 nan 0.000 0.492 824 I N 3.474 123.942 120.570 -0.170 0.000 2.363 824 I HA 0.154 4.324 4.170 -0.000 0.000 0.292 824 I C -0.162 175.751 176.117 -0.341 0.000 1.075 824 I CA 0.193 61.301 61.300 -0.320 0.000 1.333 824 I CB 0.200 37.998 38.000 -0.336 0.000 1.415 824 I HN 0.220 nan 8.210 nan 0.000 0.502 825 V N 6.266 125.971 119.914 -0.349 0.000 2.398 825 V HA 0.627 4.747 4.120 -0.000 0.000 0.286 825 V C 0.467 176.474 176.094 -0.144 0.000 1.026 825 V CA -0.744 61.438 62.300 -0.197 0.000 0.868 825 V CB 1.663 33.474 31.823 -0.021 0.000 0.982 825 V HN 0.830 nan 8.190 nan 0.000 0.443 826 A N 6.118 128.981 122.820 0.071 0.000 2.258 826 A HA 0.735 5.055 4.320 -0.000 0.000 0.316 826 A C -0.397 177.311 177.584 0.207 0.000 1.279 826 A CA -0.472 51.741 52.037 0.294 0.000 0.876 826 A CB 0.294 19.550 19.000 0.425 0.000 1.170 826 A HN 0.812 nan 8.150 nan 0.000 0.520 827 I N 2.862 123.586 120.570 0.256 0.000 2.294 827 I HA 0.436 4.606 4.170 -0.000 0.000 0.295 827 I C 0.554 176.785 176.117 0.189 0.000 1.098 827 I CA 0.546 61.979 61.300 0.221 0.000 1.277 827 I CB 0.464 38.629 38.000 0.274 0.000 1.434 827 I HN 0.760 nan 8.210 nan 0.000 0.498 828 A N 5.271 128.180 122.820 0.147 0.000 2.608 828 A HA 0.491 4.811 4.320 -0.000 0.000 0.292 828 A C -1.336 176.341 177.584 0.155 0.000 1.066 828 A CA -0.473 51.650 52.037 0.142 0.000 0.676 828 A CB 1.272 20.361 19.000 0.149 0.000 1.277 828 A HN 0.562 nan 8.150 nan 0.000 0.413 829 C N 1.961 121.351 119.300 0.150 0.000 2.256 829 C HA 0.563 5.022 4.460 -0.000 0.000 0.333 829 C C 0.504 175.636 174.990 0.236 0.000 1.183 829 C CA 0.108 59.226 59.018 0.167 0.000 1.692 829 C CB -1.752 26.062 27.740 0.124 0.000 2.274 829 C HN 0.806 nan 8.230 nan 0.000 0.509 830 Y N 2.529 122.893 120.300 0.107 0.000 2.744 830 Y HA 0.173 4.723 4.550 -0.000 0.000 0.150 830 Y C 2.344 178.342 175.900 0.164 0.000 0.892 830 Y CA 1.170 59.340 58.100 0.117 0.000 1.598 830 Y CB -0.444 38.101 38.460 0.142 0.000 1.096 830 Y HN 0.492 nan 8.280 nan 0.000 0.405 831 S N 0.013 115.835 115.700 0.203 0.000 2.547 831 S HA 0.154 4.624 4.470 -0.000 0.000 0.235 831 S C 1.510 176.272 174.600 0.270 0.000 0.980 831 S CA 1.042 59.372 58.200 0.216 0.000 0.941 831 S CB -0.590 62.916 63.200 0.510 0.000 0.763 831 S HN 1.301 nan 8.310 nan 0.000 0.532 832 G N 0.030 108.962 108.800 0.219 0.000 2.234 832 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.235 832 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.235 832 G C 0.265 175.193 174.900 0.047 0.000 0.997 832 G CA 0.172 45.333 45.100 0.101 0.000 0.623 832 G HN 0.557 nan 8.290 nan 0.000 0.514 833 Y N 2.136 122.484 120.300 0.080 0.000 2.473 833 Y HA 0.230 4.780 4.550 -0.000 0.000 0.329 833 Y C 1.635 177.540 175.900 0.008 0.000 1.207 833 Y CA 0.780 58.897 58.100 0.028 0.000 1.266 833 Y CB 0.116 38.566 38.460 -0.016 0.000 1.091 833 Y HN 0.534 nan 8.280 nan 0.000 0.501 834 N N -1.378 117.398 118.700 0.128 0.000 2.517 834 N HA 0.074 4.814 4.740 -0.000 0.000 0.285 834 N C -0.504 175.052 175.510 0.077 0.000 1.528 834 N CA -0.160 52.946 53.050 0.093 0.000 0.892 834 N CB -0.124 38.424 38.487 0.101 0.000 1.356 834 N HN 0.289 nan 8.380 nan 0.000 0.495 835 Q N 0.329 120.157 119.800 0.048 0.000 2.237 835 Q HA 0.240 4.580 4.340 -0.000 0.000 0.219 835 Q C -0.273 175.739 176.000 0.020 0.000 0.999 835 Q CA -0.666 55.160 55.803 0.038 0.000 0.959 835 Q CB 0.693 29.429 28.738 -0.003 0.000 1.173 835 Q HN 0.098 nan 8.270 nan 0.000 0.527 836 E N 1.824 122.032 120.200 0.013 0.000 2.165 836 E HA -0.262 4.087 4.350 -0.000 0.000 0.203 836 E C -0.929 175.680 176.600 0.015 0.000 1.335 836 E CA 1.073 57.475 56.400 0.004 0.000 0.708 836 E CB -1.498 28.192 29.700 -0.017 0.000 1.105 836 E HN 0.712 nan 8.360 nan 0.000 0.346 837 D N -1.953 118.467 120.400 0.034 0.000 2.981 837 D HA -0.162 4.478 4.640 -0.000 0.000 0.223 837 D C 0.010 176.334 176.300 0.041 0.000 1.151 837 D CA 1.488 55.511 54.000 0.039 0.000 0.827 837 D CB -1.391 39.424 40.800 0.025 0.000 1.101 837 D HN 0.522 nan 8.370 nan 0.000 0.426 838 S N -1.375 114.349 115.700 0.041 0.000 2.739 838 S HA 0.855 5.325 4.470 -0.000 0.000 0.306 838 S C 0.128 174.753 174.600 0.041 0.000 1.115 838 S CA -0.889 57.334 58.200 0.040 0.000 0.985 838 S CB 2.626 65.846 63.200 0.033 0.000 1.133 838 S HN 0.108 nan 8.310 nan 0.000 0.541 839 M N 0.654 120.266 119.600 0.021 0.000 2.572 839 M HA 0.521 5.001 4.480 -0.000 0.000 0.299 839 M C -1.332 174.935 176.300 -0.056 0.000 1.205 839 M CA -0.374 54.916 55.300 -0.017 0.000 0.876 839 M CB 2.284 34.848 32.600 -0.059 0.000 1.728 839 M HN 0.554 nan 8.290 nan 0.000 0.458 840 I N 2.387 122.910 120.570 -0.078 0.000 2.328 840 I HA 0.432 4.602 4.170 -0.000 0.000 0.287 840 I C -0.785 175.239 176.117 -0.154 0.000 1.012 840 I CA -0.283 60.928 61.300 -0.149 0.000 1.195 840 I CB 1.276 39.205 38.000 -0.118 0.000 1.350 840 I HN 0.670 nan 8.210 nan 0.000 0.464 841 M N 6.140 125.634 119.600 -0.178 0.000 2.472 841 M HA 0.342 4.822 4.480 -0.000 0.000 0.331 841 M C -0.129 176.114 176.300 -0.095 0.000 1.170 841 M CA -0.592 54.607 55.300 -0.167 0.000 1.009 841 M CB 1.456 33.918 32.600 -0.229 0.000 1.672 841 M HN 0.439 nan 8.290 nan 0.000 0.453 842 N N 2.972 121.635 118.700 -0.061 0.000 2.431 842 N HA -0.028 4.712 4.740 -0.000 0.000 0.265 842 N C 0.191 175.697 175.510 -0.006 0.000 1.184 842 N CA 0.372 53.420 53.050 -0.005 0.000 0.943 842 N CB 1.331 39.816 38.487 -0.003 0.000 1.080 842 N HN 0.747 nan 8.380 nan 0.000 0.477 843 Q N 2.711 122.524 119.800 0.023 0.000 2.167 843 Q HA -0.016 4.323 4.340 -0.000 0.000 0.202 843 Q C 1.191 177.198 176.000 0.011 0.000 0.970 843 Q CA 1.554 57.366 55.803 0.016 0.000 0.855 843 Q CB -0.011 28.750 28.738 0.039 0.000 0.911 843 Q HN 0.623 nan 8.270 nan 0.000 0.438 844 S N -0.447 115.263 115.700 0.016 0.000 2.383 844 S HA -0.086 4.384 4.470 -0.000 0.000 0.227 844 S C 1.950 176.545 174.600 -0.009 0.000 1.026 844 S CA 1.076 59.279 58.200 0.005 0.000 0.981 844 S CB -0.215 62.990 63.200 0.007 0.000 0.818 844 S HN 0.439 nan 8.310 nan 0.000 0.472 845 S N 1.717 117.408 115.700 -0.015 0.000 2.383 845 S HA 0.071 4.541 4.470 -0.000 0.000 0.227 845 S C 1.761 176.344 174.600 -0.028 0.000 1.026 845 S CA 0.763 58.944 58.200 -0.033 0.000 0.981 845 S CB -0.359 62.814 63.200 -0.045 0.000 0.818 845 S HN 0.410 nan 8.310 nan 0.000 0.472 846 I N 1.988 122.548 120.570 -0.016 0.000 2.286 846 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 846 I C 1.952 178.065 176.117 -0.007 0.000 1.115 846 I CA 1.135 62.432 61.300 -0.006 0.000 1.392 846 I CB -0.392 37.606 38.000 -0.004 0.000 1.065 846 I HN 0.175 nan 8.210 nan 0.000 0.418 847 D N 0.877 121.274 120.400 -0.005 0.000 2.117 847 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 847 D C 2.064 178.366 176.300 0.004 0.000 0.987 847 D CA 1.183 55.183 54.000 0.000 0.000 0.829 847 D CB -0.262 40.538 40.800 0.001 0.000 0.961 847 D HN 0.296 nan 8.370 nan 0.000 0.460 848 R N -0.443 120.052 120.500 -0.009 0.000 2.328 848 R HA 0.175 4.515 4.340 -0.000 0.000 0.200 848 R C 1.204 177.499 176.300 -0.008 0.000 0.983 848 R CA 0.565 56.654 56.100 -0.018 0.000 1.062 848 R CB 0.251 30.523 30.300 -0.047 0.000 0.956 848 R HN 0.236 nan 8.270 nan 0.000 0.479 849 G N 0.519 109.334 108.800 0.025 0.000 2.201 849 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.212 849 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.212 849 G C -0.073 174.863 174.900 0.061 0.000 0.994 849 G CA -0.461 44.699 45.100 0.100 0.000 0.644 849 G HN 0.224 nan 8.290 nan 0.000 0.508 850 L N 1.156 122.363 121.223 -0.027 0.000 2.601 850 L HA 0.540 4.880 4.340 -0.000 0.000 0.277 850 L C 1.280 178.142 176.870 -0.013 0.000 1.219 850 L CA 1.177 55.949 54.840 -0.114 0.000 0.915 850 L CB -0.713 41.274 42.059 -0.120 0.000 1.160 850 L HN 0.632 nan 8.230 nan 0.000 0.494 851 F N 2.155 122.130 119.950 0.042 0.000 3.021 851 F HA -0.323 4.204 4.527 -0.000 0.000 0.294 851 F C 1.182 176.991 175.800 0.015 0.000 0.761 851 F CA 0.742 58.787 58.000 0.075 0.000 1.102 851 F CB -0.995 38.098 39.000 0.154 0.000 1.380 851 F HN 0.597 nan 8.300 nan 0.000 0.387 852 R N 0.921 121.424 120.500 0.004 0.000 2.694 852 R HA 0.485 4.825 4.340 -0.000 0.000 0.268 852 R C 0.465 176.640 176.300 -0.208 0.000 1.061 852 R CA 0.705 56.651 56.100 -0.256 0.000 1.133 852 R CB 1.074 30.911 30.300 -0.773 0.000 1.020 852 R HN 0.239 nan 8.270 nan 0.000 0.475 853 S N 1.268 116.871 115.700 -0.161 0.000 2.579 853 S HA 0.482 4.951 4.470 -0.000 0.000 0.272 853 S C -0.679 173.993 174.600 0.120 0.000 1.141 853 S CA -1.085 57.158 58.200 0.072 0.000 0.843 853 S CB 1.243 64.492 63.200 0.083 0.000 1.122 853 S HN 0.358 nan 8.310 nan 0.000 0.468 854 L N 1.786 123.123 121.223 0.190 0.000 2.343 854 L HA 0.691 5.031 4.340 -0.000 0.000 0.275 854 L C -0.989 175.875 176.870 -0.011 0.000 1.056 854 L CA -0.722 54.139 54.840 0.034 0.000 0.804 854 L CB 1.152 43.204 42.059 -0.011 0.000 1.203 854 L HN 0.772 nan 8.230 nan 0.000 0.440 855 F N 2.585 122.307 119.950 -0.381 0.000 2.539 855 F HA 0.597 5.124 4.527 -0.000 0.000 0.318 855 F C -1.445 174.099 175.800 -0.426 0.000 1.135 855 F CA -0.868 56.986 58.000 -0.243 0.000 0.915 855 F CB 1.248 40.163 39.000 -0.141 0.000 1.176 855 F HN 0.078 nan 8.300 nan 0.000 0.440 856 F N 5.282 124.778 119.950 -0.757 0.000 2.507 856 F HA 0.641 5.168 4.527 -0.000 0.000 0.325 856 F C -0.321 174.988 175.800 -0.818 0.000 1.116 856 F CA -0.792 56.877 58.000 -0.552 0.000 0.930 856 F CB 2.094 40.963 39.000 -0.217 0.000 1.146 856 F HN 0.487 nan 8.300 nan 0.000 0.447 857 R N 1.483 121.763 120.500 -0.367 0.000 2.628 857 R HA 0.779 5.119 4.340 -0.000 0.000 0.288 857 R C -1.518 174.721 176.300 -0.102 0.000 0.980 857 R CA -0.546 55.369 56.100 -0.308 0.000 0.891 857 R CB 1.800 31.961 30.300 -0.233 0.000 1.188 857 R HN 0.746 nan 8.270 nan 0.000 0.450 858 S N 2.950 118.562 115.700 -0.147 0.000 2.532 858 S HA 0.493 4.963 4.470 -0.000 0.000 0.299 858 S C -1.174 173.387 174.600 -0.066 0.000 1.105 858 S CA -0.797 57.410 58.200 0.013 0.000 1.018 858 S CB 0.850 64.076 63.200 0.043 0.000 1.021 858 S HN 0.460 nan 8.310 nan 0.000 0.483 859 Y N 2.241 122.561 120.300 0.033 0.000 2.334 859 Y HA 0.647 5.197 4.550 -0.000 0.000 0.328 859 Y C 0.448 176.372 175.900 0.040 0.000 1.130 859 Y CA -1.205 56.917 58.100 0.036 0.000 1.163 859 Y CB 1.208 39.687 38.460 0.031 0.000 1.207 859 Y HN 0.637 nan 8.280 nan 0.000 0.471 860 M N 2.155 121.864 119.600 0.181 0.000 2.716 860 M HA 0.543 5.023 4.480 -0.000 0.000 0.307 860 M C -2.023 174.319 176.300 0.070 0.000 1.223 860 M CA -0.420 54.952 55.300 0.120 0.000 0.871 860 M CB 2.487 35.164 32.600 0.128 0.000 1.739 860 M HN 0.895 nan 8.290 nan 0.000 0.475 861 D N 0.636 121.027 120.400 -0.016 0.000 2.751 861 D HA 0.286 4.926 4.640 -0.000 0.000 0.236 861 D C -1.633 174.652 176.300 -0.024 0.000 1.196 861 D CA -0.144 53.858 54.000 0.002 0.000 0.741 861 D CB 1.558 42.442 40.800 0.140 0.000 1.474 861 D HN 0.687 nan 8.370 nan 0.000 0.452 862 Q N 0.477 120.235 119.800 -0.070 0.000 3.274 862 Q HA 0.679 5.019 4.340 -0.000 0.000 0.240 862 Q C -0.506 175.420 176.000 -0.122 0.000 1.075 862 Q CA -0.904 54.858 55.803 -0.069 0.000 0.702 862 Q CB 1.345 29.914 28.738 -0.281 0.000 3.188 862 Q HN 0.393 nan 8.270 nan 0.000 0.369 863 E N 0.516 120.632 120.200 -0.139 0.000 2.416 863 E HA 0.241 4.591 4.350 -0.000 0.000 0.273 863 E C -1.363 175.159 176.600 -0.130 0.000 0.935 863 E CA -0.820 55.460 56.400 -0.200 0.000 0.784 863 E CB 2.142 31.745 29.700 -0.162 0.000 1.301 863 E HN 0.453 nan 8.360 nan 0.000 0.454 864 K N 0.905 121.229 120.400 -0.126 0.000 2.265 864 K HA -0.214 4.106 4.320 -0.000 0.000 0.243 864 K C -0.477 176.058 176.600 -0.109 0.000 1.007 864 K CA 0.982 57.210 56.287 -0.098 0.000 0.903 864 K CB 0.264 32.717 32.500 -0.078 0.000 0.898 864 K HN 0.383 nan 8.250 nan 0.000 0.516 865 K N -1.204 119.129 120.400 -0.111 0.000 2.213 865 K HA 0.209 4.529 4.320 -0.000 0.000 0.254 865 K C -0.889 175.625 176.600 -0.143 0.000 1.062 865 K CA -1.038 55.136 56.287 -0.189 0.000 0.884 865 K CB 0.764 33.190 32.500 -0.123 0.000 1.437 865 K HN 0.480 nan 8.250 nan 0.000 0.464 866 Y N 0.682 120.985 120.300 0.005 0.000 2.834 866 Y HA 0.148 4.698 4.550 -0.000 0.000 0.355 866 Y C 0.844 176.743 175.900 -0.001 0.000 1.287 866 Y CA 0.163 58.265 58.100 0.004 0.000 1.647 866 Y CB 0.139 38.602 38.460 0.006 0.000 1.221 866 Y HN 0.513 nan 8.280 nan 0.000 0.519 867 G N 4.786 113.675 108.800 0.148 0.000 2.267 867 G HA2 0.257 4.217 3.960 -0.000 0.000 0.285 867 G HA3 0.257 4.217 3.960 -0.000 0.000 0.285 867 G C -1.053 173.884 174.900 0.062 0.000 1.323 867 G CA -0.950 44.197 45.100 0.080 0.000 1.306 867 G HN 0.511 nan 8.290 nan 0.000 0.617 868 M N 2.959 122.590 119.600 0.052 0.000 2.338 868 M HA 0.149 4.629 4.480 -0.000 0.000 0.360 868 M C 1.311 177.626 176.300 0.024 0.000 1.547 868 M CA 1.298 56.620 55.300 0.037 0.000 1.001 868 M CB 0.261 32.875 32.600 0.024 0.000 2.008 868 M HN 1.485 nan 8.290 nan 0.000 0.464 869 S N 3.354 119.067 115.700 0.022 0.000 3.614 869 S HA -0.171 4.299 4.470 -0.000 0.000 0.360 869 S C -0.391 174.212 174.600 0.005 0.000 1.023 869 S CA 0.694 58.901 58.200 0.012 0.000 1.114 869 S CB -2.362 60.843 63.200 0.009 0.000 0.907 869 S HN 0.757 nan 8.310 nan 0.000 0.470 870 I N 0.511 121.084 120.570 0.005 0.000 2.590 870 I HA 0.361 4.531 4.170 -0.000 0.000 0.283 870 I C 0.189 176.295 176.117 -0.017 0.000 1.154 870 I CA -0.373 60.923 61.300 -0.007 0.000 1.067 870 I CB 2.099 40.097 38.000 -0.003 0.000 1.243 870 I HN 0.345 nan 8.210 nan 0.000 0.451 871 T N 3.613 118.148 114.554 -0.032 0.000 2.678 871 T HA 0.569 4.919 4.350 -0.000 0.000 0.260 871 T C -0.699 173.952 174.700 -0.082 0.000 0.932 871 T CA -0.813 61.256 62.100 -0.053 0.000 1.043 871 T CB 1.884 70.725 68.868 -0.046 0.000 1.413 871 T HN 0.403 nan 8.240 nan 0.000 0.568 872 E N 0.067 120.192 120.200 -0.125 0.000 2.340 872 E HA 0.582 4.931 4.350 -0.000 0.000 0.273 872 E C -1.460 174.995 176.600 -0.242 0.000 0.891 872 E CA -0.747 55.541 56.400 -0.186 0.000 0.757 872 E CB 2.360 31.916 29.700 -0.241 0.000 1.231 872 E HN 0.395 nan 8.360 nan 0.000 0.439 873 T N 1.483 115.894 114.554 -0.239 0.000 2.861 873 T HA 0.393 4.743 4.350 -0.000 0.000 0.287 873 T C -0.813 173.757 174.700 -0.217 0.000 1.003 873 T CA -0.599 61.382 62.100 -0.198 0.000 0.977 873 T CB 0.463 69.291 68.868 -0.068 0.000 0.996 873 T HN 0.249 nan 8.240 nan 0.000 0.448 874 F N 2.886 122.838 119.950 0.003 0.000 2.462 874 F HA 0.433 4.960 4.527 0.000 0.000 0.354 874 F C 1.100 176.909 175.800 0.015 0.000 1.192 874 F CA -0.224 57.782 58.000 0.009 0.000 1.173 874 F CB 0.232 39.236 39.000 0.007 0.000 1.402 874 F HN 0.453 nan 8.300 nan 0.000 0.595 875 E N 1.235 121.533 120.200 0.163 0.000 2.416 875 E HA 0.204 4.554 4.350 -0.000 0.000 0.280 875 E C -1.088 175.565 176.600 0.089 0.000 1.055 875 E CA -1.299 55.166 56.400 0.108 0.000 0.825 875 E CB 1.879 31.618 29.700 0.064 0.000 1.312 875 E HN 0.284 nan 8.360 nan 0.000 0.452 876 K N 2.578 123.020 120.400 0.069 0.000 2.416 876 K HA 0.174 4.494 4.320 -0.000 0.000 0.283 876 K C -2.134 174.454 176.600 -0.020 0.000 1.037 876 K CA -0.927 55.391 56.287 0.052 0.000 0.995 876 K CB 0.136 32.660 32.500 0.040 0.000 0.938 876 K HN 0.200 nan 8.250 nan 0.000 0.475 877 P HA 0.195 nan 4.420 nan 0.000 0.290 877 P C -1.206 175.947 177.300 -0.245 0.000 1.275 877 P CA -0.669 62.329 63.100 -0.170 0.000 0.841 877 P CB 1.208 32.786 31.700 -0.203 0.000 1.042 878 Q N 1.199 120.897 119.800 -0.170 0.000 3.007 878 Q HA 0.208 4.548 4.340 -0.000 0.000 0.321 878 Q C -0.792 175.140 176.000 -0.113 0.000 0.784 878 Q CA -0.450 55.263 55.803 -0.150 0.000 0.990 878 Q CB 0.598 29.277 28.738 -0.099 0.000 1.493 878 Q HN 0.374 nan 8.270 nan 0.000 0.382 879 R N 0.297 120.720 120.500 -0.128 0.000 2.849 879 R HA -0.158 4.182 4.340 -0.000 0.000 0.171 879 R C -0.841 175.421 176.300 -0.063 0.000 1.246 879 R CA 0.929 56.974 56.100 -0.091 0.000 1.112 879 R CB -0.795 29.454 30.300 -0.085 0.000 2.877 879 R HN 0.265 nan 8.270 nan 0.000 0.254 880 T N 2.660 117.182 114.554 -0.053 0.000 3.193 880 T HA 0.189 4.539 4.350 -0.000 0.000 0.332 880 T C 0.411 175.091 174.700 -0.034 0.000 1.208 880 T CA -0.827 61.249 62.100 -0.039 0.000 1.080 880 T CB 1.504 70.350 68.868 -0.037 0.000 1.180 880 T HN 0.686 nan 8.240 nan 0.000 0.469 881 N N 0.783 119.467 118.700 -0.028 0.000 2.790 881 N HA -0.242 4.498 4.740 -0.000 0.000 0.230 881 N C 1.283 176.778 175.510 -0.024 0.000 0.784 881 N CA 2.775 55.812 53.050 -0.023 0.000 1.409 881 N CB -0.967 37.508 38.487 -0.020 0.000 0.950 881 N HN 0.673 nan 8.380 nan 0.000 0.613 882 T N 0.201 114.738 114.554 -0.028 0.000 3.042 882 T HA 0.356 4.706 4.350 -0.000 0.000 0.245 882 T C 1.488 176.169 174.700 -0.031 0.000 1.029 882 T CA 0.431 62.515 62.100 -0.027 0.000 1.120 882 T CB 0.588 69.440 68.868 -0.027 0.000 0.917 882 T HN 0.316 nan 8.240 nan 0.000 0.467 883 L N -0.386 120.813 121.223 -0.040 0.000 5.218 883 L HA -0.259 4.081 4.340 -0.000 0.000 0.447 883 L C 0.521 177.363 176.870 -0.047 0.000 1.040 883 L CA 0.697 55.508 54.840 -0.047 0.000 1.035 883 L CB -1.392 40.644 42.059 -0.039 0.000 1.762 883 L HN 0.298 nan 8.230 nan 0.000 0.756 884 R N 1.322 121.800 120.500 -0.036 0.000 2.561 884 R HA 0.182 4.522 4.340 -0.000 0.000 0.347 884 R C 0.254 176.542 176.300 -0.020 0.000 0.916 884 R CA 0.763 56.846 56.100 -0.028 0.000 1.063 884 R CB 0.112 30.401 30.300 -0.019 0.000 0.916 884 R HN 0.298 nan 8.270 nan 0.000 0.410 885 M N 1.587 121.177 119.600 -0.016 0.000 3.557 885 M HA 0.436 4.916 4.480 -0.000 0.000 0.301 885 M C -0.856 175.453 176.300 0.016 0.000 1.451 885 M CA -0.906 54.420 55.300 0.045 0.000 0.816 885 M CB 2.086 34.694 32.600 0.015 0.000 1.848 885 M HN 0.224 nan 8.290 nan 0.000 0.456 886 K N -0.251 120.199 120.400 0.084 0.000 2.509 886 K HA 0.426 4.746 4.320 -0.000 0.000 0.266 886 K C 0.350 176.935 176.600 -0.025 0.000 0.987 886 K CA -0.869 55.380 56.287 -0.063 0.000 0.868 886 K CB 1.871 34.360 32.500 -0.019 0.000 1.421 886 K HN 0.645 nan 8.250 nan 0.000 0.444 887 H N 0.458 119.565 119.070 0.062 0.000 2.444 887 H HA -0.153 4.403 4.556 -0.000 0.000 0.294 887 H C 0.884 176.233 175.328 0.034 0.000 1.125 887 H CA 1.598 57.674 56.048 0.047 0.000 1.230 887 H CB -0.308 29.470 29.762 0.026 0.000 1.361 887 H HN 0.704 nan 8.280 nan 0.000 0.508 888 G N 0.981 109.835 108.800 0.089 0.000 2.398 888 G HA2 0.149 4.109 3.960 -0.000 0.000 0.246 888 G HA3 0.149 4.109 3.960 -0.000 0.000 0.246 888 G C -0.137 174.738 174.900 -0.041 0.000 1.289 888 G CA -0.237 44.853 45.100 -0.017 0.000 0.869 888 G HN 0.122 nan 8.290 nan 0.000 0.543 889 T N 1.851 116.405 114.554 0.000 0.000 2.907 889 T HA 0.145 4.495 4.350 -0.000 0.000 0.298 889 T C 0.329 175.048 174.700 0.030 0.000 1.017 889 T CA 0.263 62.418 62.100 0.090 0.000 1.118 889 T CB 0.792 69.706 68.868 0.077 0.000 0.948 889 T HN 0.448 nan 8.240 nan 0.000 0.531 890 Y N 0.137 120.440 120.300 0.005 0.000 2.457 890 Y HA 0.120 4.670 4.550 0.000 0.000 0.263 890 Y C 1.999 177.901 175.900 0.004 0.000 1.164 890 Y CA -0.690 57.412 58.100 0.003 0.000 1.274 890 Y CB -0.269 38.192 38.460 0.002 0.000 1.097 890 Y HN 0.599 nan 8.280 nan 0.000 0.523 891 D N 0.871 121.363 120.400 0.153 0.000 2.239 891 D HA -0.202 4.438 4.640 -0.000 0.000 0.202 891 D C 1.484 177.821 176.300 0.061 0.000 0.993 891 D CA 1.401 55.454 54.000 0.088 0.000 0.874 891 D CB 0.071 40.908 40.800 0.062 0.000 0.922 891 D HN 0.405 nan 8.370 nan 0.000 0.464 892 K N -0.231 120.196 120.400 0.045 0.000 2.365 892 K HA 0.075 4.395 4.320 -0.000 0.000 0.197 892 K C 1.007 177.622 176.600 0.025 0.000 1.042 892 K CA -0.061 56.240 56.287 0.023 0.000 0.987 892 K CB 0.352 32.851 32.500 -0.001 0.000 0.779 892 K HN 0.121 nan 8.250 nan 0.000 0.484 893 L N 1.304 122.554 121.223 0.046 0.000 2.476 893 L HA 0.026 4.366 4.340 -0.000 0.000 0.264 893 L C 0.499 177.398 176.870 0.048 0.000 1.224 893 L CA 0.018 54.889 54.840 0.051 0.000 0.821 893 L CB 0.265 42.382 42.059 0.098 0.000 1.101 893 L HN 0.045 nan 8.230 nan 0.000 0.488 894 D N -0.531 119.894 120.400 0.041 0.000 2.384 894 D HA 0.124 4.763 4.640 -0.000 0.000 0.250 894 D C 0.035 176.362 176.300 0.044 0.000 1.029 894 D CA -0.418 53.602 54.000 0.035 0.000 0.990 894 D CB 1.500 42.314 40.800 0.023 0.000 1.175 894 D HN 0.435 nan 8.370 nan 0.000 0.532 895 D N -0.461 119.961 120.400 0.037 0.000 2.378 895 D HA -0.113 4.527 4.640 -0.000 0.000 0.222 895 D C 1.064 177.394 176.300 0.049 0.000 0.980 895 D CA 0.666 54.690 54.000 0.040 0.000 0.907 895 D CB 0.141 40.958 40.800 0.029 0.000 0.899 895 D HN 0.339 nan 8.370 nan 0.000 0.527 896 D N -0.961 119.468 120.400 0.048 0.000 2.340 896 D HA 0.049 4.689 4.640 -0.000 0.000 0.220 896 D C 1.514 177.867 176.300 0.089 0.000 1.039 896 D CA 0.625 54.659 54.000 0.057 0.000 0.866 896 D CB -0.104 40.713 40.800 0.029 0.000 0.913 896 D HN 0.184 nan 8.370 nan 0.000 0.523 897 G N 0.351 109.206 108.800 0.091 0.000 2.141 897 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.242 897 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.242 897 G C -0.082 174.873 174.900 0.091 0.000 0.982 897 G CA 0.383 45.561 45.100 0.130 0.000 0.662 897 G HN 0.415 nan 8.290 nan 0.000 0.527 898 L N -0.078 121.166 121.223 0.034 0.000 2.388 898 L HA 0.664 5.004 4.340 -0.000 0.000 0.264 898 L C 0.851 177.719 176.870 -0.004 0.000 0.998 898 L CA -1.410 53.425 54.840 -0.008 0.000 0.817 898 L CB 1.798 43.822 42.059 -0.059 0.000 1.338 898 L HN -0.030 nan 8.230 nan 0.000 0.414 899 I N 1.182 121.743 120.570 -0.015 0.000 3.079 899 I HA 0.447 4.617 4.170 -0.000 0.000 0.295 899 I C 0.527 176.640 176.117 -0.007 0.000 1.094 899 I CA -0.202 61.092 61.300 -0.010 0.000 1.295 899 I CB 1.202 39.188 38.000 -0.023 0.000 1.443 899 I HN 0.709 nan 8.210 nan 0.000 0.607 900 A N 3.858 126.678 122.820 -0.000 0.000 2.374 900 A HA 0.682 5.002 4.320 -0.000 0.000 0.317 900 A C -2.550 175.040 177.584 0.010 0.000 1.094 900 A CA -1.787 50.252 52.037 0.003 0.000 0.765 900 A CB 0.879 19.882 19.000 0.005 0.000 1.268 900 A HN 0.364 nan 8.150 nan 0.000 0.438 901 P HA 0.206 nan 4.420 nan 0.000 0.263 901 P C 1.121 178.435 177.300 0.022 0.000 1.168 901 P CA 2.364 65.479 63.100 0.023 0.000 0.759 901 P CB 0.551 32.266 31.700 0.024 0.000 0.782 902 G N 1.036 109.853 108.800 0.027 0.000 2.284 902 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 902 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 902 G C 0.058 174.970 174.900 0.020 0.000 1.009 902 G CA -0.161 44.954 45.100 0.024 0.000 0.625 902 G HN 0.546 nan 8.290 nan 0.000 0.501 903 V N 2.679 122.603 119.914 0.016 0.000 2.529 903 V HA 0.369 4.489 4.120 -0.000 0.000 0.292 903 V C 1.150 177.251 176.094 0.012 0.000 1.028 903 V CA 0.276 62.583 62.300 0.012 0.000 1.074 903 V CB 1.165 32.992 31.823 0.006 0.000 0.958 903 V HN 0.580 nan 8.190 nan 0.000 0.481 904 R N 4.703 125.210 120.500 0.012 0.000 2.298 904 R HA 0.537 4.877 4.340 -0.000 0.000 0.310 904 R C -0.531 175.772 176.300 0.005 0.000 1.068 904 R CA -0.340 55.767 56.100 0.012 0.000 0.957 904 R CB 1.080 31.388 30.300 0.014 0.000 1.003 904 R HN 0.689 nan 8.270 nan 0.000 0.454 905 V N 1.256 121.172 119.914 0.004 0.000 3.113 905 V HA 0.871 4.991 4.120 -0.000 0.000 0.316 905 V C -0.261 175.834 176.094 0.002 0.000 1.125 905 V CA 0.018 62.313 62.300 -0.007 0.000 1.026 905 V CB 1.779 33.586 31.823 -0.027 0.000 1.080 905 V HN 1.080 nan 8.190 nan 0.000 0.444 906 S N 0.264 115.961 115.700 -0.005 0.000 3.636 906 S HA 0.730 5.200 4.470 -0.000 0.000 0.304 906 S C 1.073 175.674 174.600 0.001 0.000 1.165 906 S CA 0.480 58.684 58.200 0.006 0.000 1.244 906 S CB 0.287 63.492 63.200 0.008 0.000 1.621 906 S HN 2.642 nan 8.310 nan 0.000 0.537 907 G N 1.657 110.461 108.800 0.006 0.000 2.606 907 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.497 907 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.497 907 G C 0.182 175.085 174.900 0.005 0.000 1.309 907 G CA 1.135 46.239 45.100 0.006 0.000 0.936 907 G HN 1.029 nan 8.290 nan 0.000 0.550 908 E N 1.133 121.333 120.200 -0.000 0.000 2.496 908 E HA 0.226 4.576 4.350 -0.000 0.000 0.200 908 E C -0.392 176.176 176.600 -0.052 0.000 1.016 908 E CA -0.190 56.207 56.400 -0.006 0.000 0.962 908 E CB 0.139 29.851 29.700 0.021 0.000 1.071 908 E HN 0.472 nan 8.360 nan 0.000 0.457 909 D N 1.150 121.512 120.400 -0.064 0.000 2.515 909 D HA -0.083 4.557 4.640 -0.000 0.000 0.230 909 D C -0.107 176.083 176.300 -0.183 0.000 1.181 909 D CA 0.458 54.392 54.000 -0.110 0.000 0.875 909 D CB 0.755 41.507 40.800 -0.080 0.000 1.213 909 D HN -0.156 nan 8.370 nan 0.000 0.478 910 V N 2.568 122.319 119.914 -0.271 0.000 2.432 910 V HA 0.146 4.265 4.120 -0.000 0.000 0.275 910 V C 1.294 177.259 176.094 -0.216 0.000 1.043 910 V CA -0.214 61.889 62.300 -0.328 0.000 0.925 910 V CB 1.272 32.712 31.823 -0.640 0.000 0.985 910 V HN 0.480 nan 8.190 nan 0.000 0.466 911 I N 4.283 124.728 120.570 -0.209 0.000 2.927 911 I HA 0.246 4.416 4.170 -0.000 0.000 0.268 911 I C 0.296 176.353 176.117 -0.100 0.000 1.153 911 I CA 0.944 62.133 61.300 -0.185 0.000 1.459 911 I CB 0.489 38.292 38.000 -0.328 0.000 1.149 911 I HN 0.420 nan 8.210 nan 0.000 0.443 912 I N 1.011 121.543 120.570 -0.064 0.000 2.439 912 I HA 0.317 4.487 4.170 -0.000 0.000 0.283 912 I C 0.052 176.232 176.117 0.105 0.000 1.023 912 I CA -0.515 60.813 61.300 0.046 0.000 1.100 912 I CB 1.651 39.708 38.000 0.094 0.000 1.238 912 I HN -0.070 nan 8.210 nan 0.000 0.445 913 G N 5.546 114.445 108.800 0.163 0.000 2.339 913 G HA2 0.488 4.448 3.960 -0.000 0.000 0.287 913 G HA3 0.488 4.448 3.960 -0.000 0.000 0.287 913 G C -0.748 174.268 174.900 0.192 0.000 1.163 913 G CA -0.239 44.985 45.100 0.207 0.000 0.872 913 G HN 0.596 nan 8.290 nan 0.000 0.464 914 K N 0.976 121.440 120.400 0.107 0.000 2.512 914 K HA 0.720 5.040 4.320 -0.000 0.000 0.263 914 K C -1.115 175.461 176.600 -0.039 0.000 0.966 914 K CA -0.629 55.636 56.287 -0.037 0.000 0.851 914 K CB 2.207 34.641 32.500 -0.110 0.000 1.395 914 K HN 0.485 nan 8.250 nan 0.000 0.440 915 T N 0.658 115.153 114.554 -0.097 0.000 2.868 915 T HA 0.462 4.812 4.350 -0.000 0.000 0.306 915 T C -1.613 173.035 174.700 -0.086 0.000 1.224 915 T CA -0.602 61.457 62.100 -0.068 0.000 1.012 915 T CB 1.926 70.762 68.868 -0.052 0.000 1.221 915 T HN 0.536 nan 8.240 nan 0.000 0.499 916 T N 4.064 118.582 114.554 -0.061 0.000 3.109 916 T HA 0.472 4.822 4.350 -0.000 0.000 0.311 916 T C -2.942 171.733 174.700 -0.041 0.000 1.011 916 T CA -1.052 61.014 62.100 -0.058 0.000 1.026 916 T CB 1.948 70.782 68.868 -0.057 0.000 1.047 916 T HN 0.312 nan 8.240 nan 0.000 0.448 917 P HA 0.455 nan 4.420 nan 0.000 0.273 917 P C -0.742 176.546 177.300 -0.021 0.000 1.531 917 P CA -0.384 62.699 63.100 -0.027 0.000 1.027 917 P CB 0.225 31.910 31.700 -0.025 0.000 1.387 918 I N 2.711 123.269 120.570 -0.019 0.000 2.331 918 I HA 0.164 4.334 4.170 -0.000 0.000 0.292 918 I C 1.412 177.523 176.117 -0.010 0.000 0.998 918 I CA -0.399 60.893 61.300 -0.014 0.000 1.267 918 I CB 1.471 39.464 38.000 -0.013 0.000 1.386 918 I HN 0.300 nan 8.210 nan 0.000 0.476 934 K N 1.437 121.818 120.400 -0.031 0.000 2.483 934 K HA 0.556 4.876 4.320 -0.000 0.000 0.256 934 K C -1.309 175.270 176.600 -0.035 0.000 0.961 934 K CA -0.277 55.989 56.287 -0.036 0.000 0.873 934 K CB 2.065 34.538 32.500 -0.045 0.000 1.107 934 K HN 0.214 nan 8.250 nan 0.000 0.432 935 R N 2.120 122.601 120.500 -0.031 0.000 2.265 935 R HA 0.086 4.426 4.340 -0.000 0.000 0.328 935 R C -0.613 175.674 176.300 -0.021 0.000 0.969 935 R CA -0.675 55.410 56.100 -0.025 0.000 0.832 935 R CB 0.992 31.278 30.300 -0.022 0.000 1.139 935 R HN 0.600 nan 8.270 nan 0.000 0.457 936 D N 2.884 123.278 120.400 -0.010 0.000 2.412 936 D HA 0.036 4.676 4.640 -0.000 0.000 0.257 936 D C -1.073 175.239 176.300 0.021 0.000 1.217 936 D CA 0.395 54.405 54.000 0.017 0.000 0.897 936 D CB 0.780 41.611 40.800 0.053 0.000 1.132 936 D HN 0.507 nan 8.370 nan 0.000 0.493 937 A N 3.310 126.137 122.820 0.012 0.000 2.318 937 A HA 0.629 4.949 4.320 -0.000 0.000 0.317 937 A C -0.601 177.000 177.584 0.027 0.000 1.159 937 A CA -0.444 51.593 52.037 -0.001 0.000 0.799 937 A CB 1.062 20.035 19.000 -0.044 0.000 1.194 937 A HN 0.621 nan 8.150 nan 0.000 0.479 938 S N 0.523 116.246 115.700 0.038 0.000 2.586 938 S HA 0.610 5.080 4.470 -0.000 0.000 0.277 938 S C -0.800 173.812 174.600 0.019 0.000 1.131 938 S CA -0.688 57.542 58.200 0.049 0.000 0.848 938 S CB 0.943 64.195 63.200 0.087 0.000 1.091 938 S HN 0.797 nan 8.310 nan 0.000 0.453 939 T N 3.317 117.874 114.554 0.004 0.000 2.770 939 T HA 0.637 4.987 4.350 -0.000 0.000 0.297 939 T C -2.687 171.949 174.700 -0.108 0.000 0.997 939 T CA -1.167 60.923 62.100 -0.017 0.000 0.949 939 T CB 1.070 69.946 68.868 0.013 0.000 0.941 939 T HN 0.553 nan 8.240 nan 0.000 0.457 940 P HA 0.406 nan 4.420 nan 0.000 0.285 940 P C -0.425 176.798 177.300 -0.129 0.000 1.269 940 P CA -0.931 62.091 63.100 -0.130 0.000 0.844 940 P CB 1.236 32.889 31.700 -0.078 0.000 1.094 941 L N 2.755 123.883 121.223 -0.159 0.000 2.461 941 L HA 0.152 4.492 4.340 -0.000 0.000 0.272 941 L C 0.940 177.847 176.870 0.062 0.000 1.197 941 L CA 0.006 54.771 54.840 -0.126 0.000 0.836 941 L CB -0.029 41.969 42.059 -0.101 0.000 1.105 941 L HN 0.284 nan 8.230 nan 0.000 0.477 942 R N 2.758 123.389 120.500 0.219 0.000 2.537 942 R HA -0.043 4.297 4.340 -0.000 0.000 0.281 942 R C 1.543 177.914 176.300 0.119 0.000 0.988 942 R CA 0.669 56.885 56.100 0.194 0.000 1.077 942 R CB 0.036 30.474 30.300 0.231 0.000 0.932 942 R HN 0.962 nan 8.270 nan 0.000 0.409 943 S N 1.631 117.389 115.700 0.097 0.000 2.380 943 S HA -0.191 4.279 4.470 -0.000 0.000 0.229 943 S C 1.474 176.113 174.600 0.064 0.000 1.043 943 S CA 1.894 60.138 58.200 0.073 0.000 1.038 943 S CB -0.344 62.901 63.200 0.075 0.000 0.872 943 S HN 0.770 nan 8.310 nan 0.000 0.456 944 T N -0.770 113.827 114.554 0.072 0.000 3.273 944 T HA 0.466 4.816 4.350 -0.000 0.000 0.254 944 T C -0.114 174.598 174.700 0.020 0.000 1.002 944 T CA -0.574 61.543 62.100 0.029 0.000 0.913 944 T CB -0.239 68.625 68.868 -0.006 0.000 1.056 944 T HN 0.513 nan 8.240 nan 0.000 0.576 945 E N 2.209 122.443 120.200 0.057 0.000 2.312 945 E HA 0.559 4.909 4.350 -0.000 0.000 0.267 945 E C -1.000 175.643 176.600 0.072 0.000 0.894 945 E CA -1.137 55.309 56.400 0.077 0.000 0.773 945 E CB 1.495 31.291 29.700 0.160 0.000 1.241 945 E HN 0.415 nan 8.360 nan 0.000 0.432 946 N N 0.843 119.585 118.700 0.071 0.000 3.063 946 N HA 0.215 4.955 4.740 -0.000 0.000 0.242 946 N C -1.089 174.452 175.510 0.050 0.000 1.146 946 N CA -0.344 52.738 53.050 0.052 0.000 0.974 946 N CB 0.924 39.428 38.487 0.028 0.000 1.584 946 N HN 0.588 nan 8.380 nan 0.000 0.636 947 G N 1.332 110.165 108.800 0.054 0.000 3.418 947 G HA2 0.680 4.640 3.960 -0.000 0.000 0.179 947 G HA3 0.680 4.640 3.960 -0.000 0.000 0.179 947 G C -1.136 173.784 174.900 0.032 0.000 1.212 947 G CA -0.529 44.597 45.100 0.043 0.000 0.935 947 G HN 0.460 nan 8.290 nan 0.000 0.716 948 I N 0.517 121.107 120.570 0.033 0.000 2.656 948 I HA 0.307 4.477 4.170 -0.000 0.000 0.292 948 I C -0.554 175.591 176.117 0.046 0.000 1.144 948 I CA -0.923 60.397 61.300 0.033 0.000 1.038 948 I CB 2.741 40.760 38.000 0.032 0.000 1.244 948 I HN 0.092 nan 8.210 nan 0.000 0.420 949 V N 4.373 124.312 119.914 0.040 0.000 2.493 949 V HA -0.088 4.032 4.120 -0.000 0.000 0.292 949 V C 0.688 176.825 176.094 0.071 0.000 1.016 949 V CA 0.779 63.109 62.300 0.051 0.000 1.097 949 V CB 0.790 32.630 31.823 0.027 0.000 0.947 949 V HN 0.861 nan 8.190 nan 0.000 0.479 950 D N 3.206 123.671 120.400 0.108 0.000 2.338 950 D HA 0.132 4.772 4.640 -0.000 0.000 0.208 950 D C 0.574 176.933 176.300 0.100 0.000 0.997 950 D CA 0.505 54.587 54.000 0.136 0.000 0.880 950 D CB 0.507 41.460 40.800 0.255 0.000 0.980 950 D HN 0.699 nan 8.370 nan 0.000 0.509 951 Q N -0.296 119.555 119.800 0.084 0.000 2.599 951 Q HA 0.317 4.657 4.340 -0.000 0.000 0.248 951 Q C -2.068 173.959 176.000 0.044 0.000 0.964 951 Q CA -0.525 55.310 55.803 0.053 0.000 1.011 951 Q CB 2.372 31.136 28.738 0.043 0.000 1.592 951 Q HN -0.110 nan 8.270 nan 0.000 0.443 952 V N 3.449 123.377 119.914 0.023 0.000 2.495 952 V HA 0.625 4.745 4.120 -0.000 0.000 0.298 952 V C -0.720 175.374 176.094 0.000 0.000 1.031 952 V CA -0.711 61.594 62.300 0.008 0.000 0.871 952 V CB 1.644 33.460 31.823 -0.013 0.000 0.988 952 V HN 0.697 nan 8.190 nan 0.000 0.432 953 L N 5.757 126.982 121.223 0.003 0.000 2.362 953 L HA 0.821 5.161 4.340 -0.000 0.000 0.275 953 L C -1.217 175.651 176.870 -0.003 0.000 0.998 953 L CA -0.458 54.386 54.840 0.006 0.000 0.820 953 L CB 1.963 44.037 42.059 0.025 0.000 1.270 953 L HN 0.464 nan 8.230 nan 0.000 0.415 954 V N 4.169 124.077 119.914 -0.011 0.000 2.409 954 V HA 0.683 4.803 4.120 -0.000 0.000 0.291 954 V C -0.029 176.083 176.094 0.030 0.000 1.020 954 V CA -0.149 62.140 62.300 -0.020 0.000 0.848 954 V CB 1.432 33.224 31.823 -0.052 0.000 0.990 954 V HN 0.991 nan 8.190 nan 0.000 0.430 955 T N 2.180 116.790 114.554 0.093 0.000 2.618 955 T HA 0.614 4.964 4.350 -0.000 0.000 0.286 955 T C -0.582 174.205 174.700 0.145 0.000 1.027 955 T CA -0.626 61.525 62.100 0.085 0.000 1.063 955 T CB 2.175 71.059 68.868 0.027 0.000 1.440 955 T HN 0.568 nan 8.240 nan 0.000 0.505 956 T N 1.503 116.105 114.554 0.080 0.000 2.909 956 T HA 0.512 4.862 4.350 -0.000 0.000 0.299 956 T C -0.166 174.546 174.700 0.020 0.000 1.073 956 T CA -0.781 61.386 62.100 0.110 0.000 0.999 956 T CB 1.981 70.890 68.868 0.069 0.000 1.098 956 T HN 0.500 nan 8.240 nan 0.000 0.477 957 N N 0.277 119.031 118.700 0.091 0.000 2.531 957 N HA 0.201 4.941 4.740 -0.000 0.000 0.301 957 N C 0.885 176.413 175.510 0.030 0.000 1.310 957 N CA -0.336 52.720 53.050 0.009 0.000 0.949 957 N CB 0.925 39.504 38.487 0.154 0.000 1.111 957 N HN 0.587 nan 8.380 nan 0.000 0.565 958 Q N -0.524 119.298 119.800 0.037 0.000 2.432 958 Q HA 0.066 4.406 4.340 -0.000 0.000 0.205 958 Q C -0.268 175.764 176.000 0.054 0.000 0.945 958 Q CA 0.724 56.553 55.803 0.044 0.000 0.924 958 Q CB 0.397 29.165 28.738 0.050 0.000 1.016 958 Q HN 0.455 nan 8.270 nan 0.000 0.503 959 D N -0.351 120.087 120.400 0.064 0.000 2.388 959 D HA 0.109 4.748 4.640 -0.000 0.000 0.221 959 D C 0.457 176.792 176.300 0.058 0.000 1.133 959 D CA 0.296 54.330 54.000 0.057 0.000 0.831 959 D CB 0.819 41.646 40.800 0.045 0.000 0.962 959 D HN 0.297 nan 8.370 nan 0.000 0.502 960 G N 1.670 110.510 108.800 0.066 0.000 2.246 960 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.273 960 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.273 960 G C 0.114 175.068 174.900 0.091 0.000 1.055 960 G CA -0.056 45.085 45.100 0.069 0.000 0.851 960 G HN 0.318 nan 8.290 nan 0.000 0.500 961 L N -0.369 120.936 121.223 0.137 0.000 2.312 961 L HA 0.423 4.763 4.340 -0.000 0.000 0.281 961 L C 0.974 177.996 176.870 0.254 0.000 1.070 961 L CA -0.797 54.147 54.840 0.173 0.000 0.805 961 L CB 1.107 43.291 42.059 0.209 0.000 1.174 961 L HN 0.040 nan 8.230 nan 0.000 0.434 962 K N 2.716 123.243 120.400 0.212 0.000 2.379 962 K HA 0.320 4.639 4.320 -0.000 0.000 0.284 962 K C -0.992 175.779 176.600 0.284 0.000 1.044 962 K CA 0.088 56.529 56.287 0.256 0.000 0.974 962 K CB 0.581 33.259 32.500 0.297 0.000 0.962 962 K HN 0.220 nan 8.250 nan 0.000 0.474 963 F N 1.638 121.634 119.950 0.076 0.000 2.522 963 F HA 0.423 4.950 4.527 -0.000 0.000 0.324 963 F C -0.394 175.359 175.800 -0.079 0.000 1.077 963 F CA -0.744 57.282 58.000 0.043 0.000 0.944 963 F CB 1.799 40.820 39.000 0.034 0.000 1.175 963 F HN 0.069 nan 8.300 nan 0.000 0.468 964 V N 3.510 123.424 119.914 -0.000 0.000 2.668 964 V HA 0.389 4.509 4.120 -0.000 0.000 0.304 964 V C -1.030 175.086 176.094 0.037 0.000 1.071 964 V CA -1.136 61.103 62.300 -0.101 0.000 0.894 964 V CB 2.121 33.681 31.823 -0.438 0.000 1.008 964 V HN 0.594 nan 8.190 nan 0.000 0.425 965 K N 3.573 124.013 120.400 0.067 0.000 2.535 965 K HA 0.690 5.010 4.320 -0.000 0.000 0.253 965 K C -1.310 175.338 176.600 0.080 0.000 0.953 965 K CA -0.572 55.777 56.287 0.104 0.000 0.863 965 K CB 2.396 34.971 32.500 0.125 0.000 1.111 965 K HN 0.451 nan 8.250 nan 0.000 0.431 966 V N 3.838 123.821 119.914 0.116 0.000 2.347 966 V HA 0.348 4.468 4.120 -0.000 0.000 0.280 966 V C -0.052 176.158 176.094 0.194 0.000 1.021 966 V CA -0.776 61.592 62.300 0.113 0.000 0.847 966 V CB 1.146 33.005 31.823 0.060 0.000 0.990 966 V HN 0.619 nan 8.190 nan 0.000 0.444 967 R N 4.058 124.646 120.500 0.147 0.000 2.294 967 R HA 0.685 5.025 4.340 -0.000 0.000 0.319 967 R C -1.372 175.041 176.300 0.188 0.000 0.984 967 R CA -0.347 55.856 56.100 0.173 0.000 0.861 967 R CB 1.564 31.947 30.300 0.139 0.000 1.104 967 R HN 0.533 nan 8.270 nan 0.000 0.451 968 V N 5.224 125.264 119.914 0.211 0.000 2.459 968 V HA 0.437 4.557 4.120 -0.000 0.000 0.295 968 V C -0.001 176.150 176.094 0.094 0.000 1.029 968 V CA -0.766 61.630 62.300 0.160 0.000 0.874 968 V CB 1.575 33.513 31.823 0.193 0.000 0.985 968 V HN 0.733 nan 8.190 nan 0.000 0.438 969 R N 2.585 123.108 120.500 0.037 0.000 2.407 969 R HA 0.736 5.076 4.340 -0.000 0.000 0.303 969 R C -0.972 175.253 176.300 -0.125 0.000 0.981 969 R CA -0.169 55.825 56.100 -0.177 0.000 0.905 969 R CB 1.553 31.782 30.300 -0.118 0.000 1.099 969 R HN 0.818 nan 8.270 nan 0.000 0.459 970 T N 2.009 116.456 114.554 -0.179 0.000 2.933 970 T HA 0.258 4.608 4.350 -0.000 0.000 0.305 970 T C -0.970 173.711 174.700 -0.031 0.000 1.092 970 T CA -0.568 61.519 62.100 -0.022 0.000 1.008 970 T CB 1.977 70.914 68.868 0.115 0.000 1.102 970 T HN 0.459 nan 8.240 nan 0.000 0.469 971 T N 3.322 117.877 114.554 0.002 0.000 2.837 971 T HA 0.447 4.797 4.350 -0.000 0.000 0.285 971 T C -0.293 174.390 174.700 -0.029 0.000 0.984 971 T CA -0.645 61.463 62.100 0.014 0.000 1.049 971 T CB 0.595 69.493 68.868 0.050 0.000 0.947 971 T HN 0.332 nan 8.240 nan 0.000 0.472 972 K N 3.422 123.788 120.400 -0.056 0.000 2.394 972 K HA 0.502 4.822 4.320 -0.000 0.000 0.260 972 K C -0.667 175.883 176.600 -0.084 0.000 0.967 972 K CA -0.480 55.764 56.287 -0.072 0.000 0.855 972 K CB 1.580 34.029 32.500 -0.084 0.000 1.101 972 K HN 0.510 nan 8.250 nan 0.000 0.433 973 I N 4.481 125.012 120.570 -0.065 0.000 2.359 973 I HA 0.234 4.404 4.170 -0.000 0.000 0.294 973 I C -2.126 173.995 176.117 0.007 0.000 0.987 973 I CA -2.648 58.624 61.300 -0.046 0.000 1.225 973 I CB 1.312 39.282 38.000 -0.049 0.000 1.366 973 I HN 0.248 nan 8.210 nan 0.000 0.466 974 P HA -0.034 nan 4.420 nan 0.000 0.259 974 P C -0.940 176.395 177.300 0.059 0.000 1.163 974 P CA 0.660 63.837 63.100 0.128 0.000 0.760 974 P CB 0.352 32.140 31.700 0.147 0.000 0.762 975 Q N 1.577 121.415 119.800 0.063 0.000 2.605 975 Q HA 0.493 4.833 4.340 -0.000 0.000 0.296 975 Q C -0.145 175.872 176.000 0.029 0.000 1.056 975 Q CA -1.229 54.588 55.803 0.023 0.000 0.778 975 Q CB 1.653 30.390 28.738 -0.001 0.000 1.497 975 Q HN 0.318 nan 8.270 nan 0.000 0.443 976 I N 1.034 121.607 120.570 0.006 0.000 2.683 976 I HA 0.044 4.214 4.170 -0.000 0.000 0.286 976 I C 1.115 177.236 176.117 0.007 0.000 1.175 976 I CA 1.519 62.822 61.300 0.006 0.000 1.429 976 I CB 0.216 38.216 38.000 -0.001 0.000 1.371 976 I HN 1.032 nan 8.210 nan 0.000 0.569 977 G N 4.093 112.903 108.800 0.016 0.000 2.234 977 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.235 977 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.235 977 G C 0.004 174.895 174.900 -0.014 0.000 0.997 977 G CA -0.454 44.645 45.100 -0.003 0.000 0.623 977 G HN 0.572 nan 8.290 nan 0.000 0.514 978 D N 1.347 121.753 120.400 0.011 0.000 2.341 978 D HA 0.476 5.116 4.640 -0.000 0.000 0.245 978 D C 0.660 176.900 176.300 -0.100 0.000 1.106 978 D CA 0.268 54.232 54.000 -0.060 0.000 0.905 978 D CB 0.782 41.572 40.800 -0.018 0.000 1.202 978 D HN 0.365 nan 8.370 nan 0.000 0.426 979 K N 1.171 121.377 120.400 -0.323 0.000 2.172 979 K HA 0.506 4.826 4.320 -0.000 0.000 0.276 979 K C -0.689 175.479 176.600 -0.719 0.000 1.013 979 K CA -0.402 55.694 56.287 -0.318 0.000 0.913 979 K CB 1.024 33.389 32.500 -0.224 0.000 1.055 979 K HN 0.247 nan 8.250 nan 0.000 0.461 980 F N 0.415 120.305 119.950 -0.099 0.000 2.613 980 F HA 0.645 5.172 4.527 -0.000 0.000 0.310 980 F C -0.485 175.335 175.800 0.034 0.000 1.085 980 F CA -0.772 57.167 58.000 -0.101 0.000 0.945 980 F CB 2.339 41.228 39.000 -0.184 0.000 1.298 980 F HN 0.547 nan 8.300 nan 0.000 0.455 981 A N 0.814 123.775 122.820 0.235 0.000 2.589 981 A HA 0.694 5.014 4.320 -0.000 0.000 0.296 981 A C -0.688 176.801 177.584 -0.158 0.000 1.062 981 A CA -0.390 51.715 52.037 0.113 0.000 0.686 981 A CB 1.247 20.263 19.000 0.025 0.000 1.282 981 A HN 0.888 nan 8.150 nan 0.000 0.404 982 S N 0.662 116.124 115.700 -0.397 0.000 2.598 982 S HA 0.509 4.979 4.470 -0.000 0.000 0.267 982 S C 0.396 174.818 174.600 -0.296 0.000 1.189 982 S CA -0.346 57.480 58.200 -0.623 0.000 1.010 982 S CB 0.402 63.293 63.200 -0.516 0.000 1.084 982 S HN 0.627 nan 8.310 nan 0.000 0.541 983 R N 0.189 120.439 120.500 -0.418 0.000 2.721 983 R HA 0.288 4.628 4.340 -0.000 0.000 0.296 983 R C -0.162 175.757 176.300 -0.634 0.000 1.174 983 R CA -0.032 55.801 56.100 -0.446 0.000 1.129 983 R CB -0.227 29.824 30.300 -0.416 0.000 1.316 983 R HN 0.566 nan 8.270 nan 0.000 0.571 984 H N -0.704 118.386 119.070 0.033 0.000 2.505 984 H HA 0.233 4.789 4.556 -0.000 0.000 0.260 984 H C 0.799 176.180 175.328 0.089 0.000 1.168 984 H CA -0.064 56.027 56.048 0.071 0.000 0.945 984 H CB 0.991 30.830 29.762 0.128 0.000 1.800 984 H HN 0.408 nan 8.280 nan 0.000 0.586 985 G N 1.873 110.755 108.800 0.136 0.000 2.249 985 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.273 985 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.273 985 G C 0.087 175.100 174.900 0.189 0.000 1.036 985 G CA 0.451 45.673 45.100 0.203 0.000 0.824 985 G HN 0.430 nan 8.290 nan 0.000 0.504 986 Q N 0.002 119.878 119.800 0.125 0.000 2.350 986 Q HA 0.502 4.842 4.340 -0.000 0.000 0.255 986 Q C 0.170 176.220 176.000 0.083 0.000 0.951 986 Q CA -0.714 55.147 55.803 0.096 0.000 0.751 986 Q CB 0.718 29.520 28.738 0.106 0.000 1.296 986 Q HN 0.637 nan 8.270 nan 0.000 0.453 987 K N 0.973 121.401 120.400 0.047 0.000 2.179 987 K HA 0.929 5.249 4.320 -0.000 0.000 0.238 987 K C -0.084 176.560 176.600 0.073 0.000 1.033 987 K CA -0.707 55.613 56.287 0.055 0.000 0.926 987 K CB 1.075 33.573 32.500 -0.004 0.000 1.151 987 K HN 0.511 nan 8.250 nan 0.000 0.492 988 G N -0.232 108.621 108.800 0.089 0.000 2.601 988 G HA2 0.411 4.371 3.960 -0.000 0.000 0.291 988 G HA3 0.411 4.371 3.960 -0.000 0.000 0.291 988 G C -1.343 173.613 174.900 0.092 0.000 1.456 988 G CA -0.771 44.380 45.100 0.085 0.000 0.804 988 G HN 0.761 nan 8.290 nan 0.000 0.499 989 T N -1.463 113.131 114.554 0.067 0.000 2.940 989 T HA 0.701 5.051 4.350 -0.000 0.000 0.288 989 T C 0.248 174.996 174.700 0.081 0.000 1.033 989 T CA -0.728 61.417 62.100 0.076 0.000 1.033 989 T CB 1.550 70.433 68.868 0.025 0.000 1.079 989 T HN 0.479 nan 8.240 nan 0.000 0.496 990 I N 2.253 122.883 120.570 0.099 0.000 2.517 990 I HA 0.255 4.425 4.170 -0.000 0.000 0.285 990 I C 1.583 177.708 176.117 0.014 0.000 1.106 990 I CA -0.015 61.302 61.300 0.029 0.000 1.402 990 I CB 0.772 38.787 38.000 0.025 0.000 1.399 990 I HN 1.049 nan 8.210 nan 0.000 0.535 991 G N 7.146 115.948 108.800 0.003 0.000 2.459 991 G HA2 0.202 4.162 3.960 -0.000 0.000 0.213 991 G HA3 0.202 4.162 3.960 -0.000 0.000 0.213 991 G C 0.423 175.338 174.900 0.024 0.000 1.155 991 G CA 0.331 45.455 45.100 0.040 0.000 0.811 991 G HN 0.531 nan 8.290 nan 0.000 0.534 992 I N -0.381 120.140 120.570 -0.082 0.000 3.021 992 I HA 0.386 4.556 4.170 -0.000 0.000 0.305 992 I C -1.243 174.705 176.117 -0.281 0.000 1.434 992 I CA -0.820 60.363 61.300 -0.194 0.000 0.969 992 I CB 2.393 40.166 38.000 -0.378 0.000 1.328 992 I HN 0.117 nan 8.210 nan 0.000 0.486 993 T N 1.222 115.639 114.554 -0.227 0.000 2.885 993 T HA 0.617 4.967 4.350 -0.000 0.000 0.285 993 T C -1.200 173.473 174.700 -0.045 0.000 1.019 993 T CA -0.414 61.592 62.100 -0.156 0.000 1.010 993 T CB 1.344 70.179 68.868 -0.054 0.000 1.022 993 T HN 0.459 nan 8.240 nan 0.000 0.466 994 Y N 0.141 120.433 120.300 -0.013 0.000 2.536 994 Y HA 0.560 5.110 4.550 -0.000 0.000 0.347 994 Y C 0.974 176.881 175.900 0.012 0.000 1.000 994 Y CA -1.672 56.435 58.100 0.012 0.000 1.051 994 Y CB 2.419 40.910 38.460 0.052 0.000 1.259 994 Y HN 0.469 nan 8.280 nan 0.000 0.468 995 R N 0.862 121.473 120.500 0.184 0.000 2.543 995 R HA 0.240 4.580 4.340 -0.000 0.000 0.268 995 R C 1.295 177.644 176.300 0.082 0.000 1.067 995 R CA -0.440 55.716 56.100 0.094 0.000 1.142 995 R CB 0.933 31.268 30.300 0.057 0.000 1.110 995 R HN 0.738 nan 8.270 nan 0.000 0.549 996 R N 1.386 121.916 120.500 0.050 0.000 2.113 996 R HA -0.274 4.066 4.340 -0.000 0.000 0.244 996 R C 1.277 177.600 176.300 0.039 0.000 1.142 996 R CA 2.502 58.625 56.100 0.038 0.000 0.953 996 R CB -0.052 30.255 30.300 0.010 0.000 0.860 996 R HN 0.644 nan 8.270 nan 0.000 0.438 997 E N 0.413 120.628 120.200 0.025 0.000 2.086 997 E HA -0.221 4.129 4.350 -0.000 0.000 0.200 997 E C 1.705 178.352 176.600 0.078 0.000 1.012 997 E CA 1.846 58.264 56.400 0.029 0.000 0.812 997 E CB -0.248 29.465 29.700 0.022 0.000 0.743 997 E HN 0.437 nan 8.360 nan 0.000 0.453 998 D N -0.255 120.188 120.400 0.073 0.000 2.269 998 D HA -0.019 4.621 4.640 -0.000 0.000 0.208 998 D C 0.700 177.037 176.300 0.061 0.000 0.963 998 D CA 0.334 54.379 54.000 0.075 0.000 0.864 998 D CB -0.019 40.758 40.800 -0.038 0.000 0.936 998 D HN 0.131 nan 8.370 nan 0.000 0.505 999 M N 1.382 121.030 119.600 0.079 0.000 2.219 999 M HA 0.106 4.586 4.480 -0.000 0.000 0.307 999 M C -2.256 174.038 176.300 -0.011 0.000 1.116 999 M CA -1.170 54.138 55.300 0.013 0.000 1.181 999 M CB 0.550 33.174 32.600 0.039 0.000 1.410 999 M HN -0.212 nan 8.290 nan 0.000 0.454 1000 P HA 0.342 nan 4.420 nan 0.000 0.279 1000 P C -1.573 175.699 177.300 -0.047 0.000 1.252 1000 P CA -0.269 62.718 63.100 -0.189 0.000 0.811 1000 P CB 0.574 32.004 31.700 -0.450 0.000 1.035 1001 F N -2.227 117.682 119.950 -0.068 0.000 2.620 1001 F HA 0.737 5.263 4.527 -0.000 0.000 0.320 1001 F C -0.329 175.441 175.800 -0.050 0.000 1.069 1001 F CA -1.170 56.779 58.000 -0.085 0.000 0.953 1001 F CB 0.927 39.898 39.000 -0.050 0.000 1.322 1001 F HN 0.148 nan 8.300 nan 0.000 0.479 1002 T N 0.323 114.966 114.554 0.149 0.000 2.934 1002 T HA 0.539 4.889 4.350 -0.000 0.000 0.283 1002 T C 1.138 175.985 174.700 0.244 0.000 1.005 1002 T CA 0.105 62.270 62.100 0.108 0.000 1.041 1002 T CB 1.436 70.322 68.868 0.029 0.000 1.042 1002 T HN 0.958 nan 8.240 nan 0.000 0.505 1003 A N 2.278 125.220 122.820 0.204 0.000 1.927 1003 A HA -0.119 4.200 4.320 -0.000 0.000 0.220 1003 A C 1.766 179.399 177.584 0.081 0.000 1.185 1003 A CA 1.978 54.086 52.037 0.119 0.000 0.639 1003 A CB -0.705 18.373 19.000 0.130 0.000 0.820 1003 A HN 0.953 nan 8.150 nan 0.000 0.451 1004 E N -1.360 118.905 120.200 0.108 0.000 2.516 1004 E HA 0.244 4.594 4.350 -0.000 0.000 0.199 1004 E C 1.107 177.743 176.600 0.060 0.000 1.069 1004 E CA 0.268 56.718 56.400 0.082 0.000 0.876 1004 E CB -0.317 29.458 29.700 0.125 0.000 0.843 1004 E HN 0.815 nan 8.360 nan 0.000 0.530 1005 G N 1.452 110.294 108.800 0.070 0.000 2.143 1005 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.249 1005 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.249 1005 G C 0.237 175.175 174.900 0.064 0.000 0.981 1005 G CA -0.158 44.946 45.100 0.006 0.000 0.665 1005 G HN 0.258 nan 8.290 nan 0.000 0.528 1006 I N 0.345 120.997 120.570 0.137 0.000 2.474 1006 I HA 0.442 4.612 4.170 -0.000 0.000 0.287 1006 I C 0.540 176.790 176.117 0.221 0.000 1.048 1006 I CA -0.431 60.983 61.300 0.189 0.000 1.383 1006 I CB 1.452 39.623 38.000 0.286 0.000 1.412 1006 I HN -0.066 nan 8.210 nan 0.000 0.531 1007 V N 7.995 128.048 119.914 0.231 0.000 2.769 1007 V HA 0.493 4.613 4.120 -0.000 0.000 0.312 1007 V C -2.153 174.136 176.094 0.325 0.000 1.061 1007 V CA -1.735 60.703 62.300 0.230 0.000 0.931 1007 V CB 2.757 34.654 31.823 0.123 0.000 1.010 1007 V HN 0.605 nan 8.190 nan 0.000 0.433 1008 P HA 0.286 nan 4.420 nan 0.000 0.279 1008 P C -0.499 176.831 177.300 0.051 0.000 1.239 1008 P CA -0.153 63.089 63.100 0.237 0.000 0.789 1008 P CB 1.174 33.088 31.700 0.357 0.000 0.933 1009 D N 0.833 121.212 120.400 -0.036 0.000 2.347 1009 D HA 0.091 4.731 4.640 -0.000 0.000 0.213 1009 D C 0.284 176.524 176.300 -0.099 0.000 0.985 1009 D CA 0.989 54.951 54.000 -0.065 0.000 0.879 1009 D CB 0.298 41.042 40.800 -0.092 0.000 0.919 1009 D HN 0.155 nan 8.370 nan 0.000 0.526 1010 L N 0.588 121.747 121.223 -0.108 0.000 2.592 1010 L HA 0.363 4.703 4.340 -0.000 0.000 0.258 1010 L C -1.891 174.924 176.870 -0.091 0.000 0.926 1010 L CA -0.527 54.219 54.840 -0.157 0.000 0.885 1010 L CB 2.055 43.935 42.059 -0.298 0.000 1.380 1010 L HN -0.229 nan 8.230 nan 0.000 0.415 1011 I N 5.994 126.525 120.570 -0.065 0.000 2.410 1011 I HA 0.514 4.684 4.170 -0.000 0.000 0.286 1011 I C 0.051 176.179 176.117 0.020 0.000 1.009 1011 I CA -0.648 60.655 61.300 0.004 0.000 1.111 1011 I CB 1.513 39.528 38.000 0.025 0.000 1.262 1011 I HN 0.594 nan 8.210 nan 0.000 0.443 1012 I N 2.635 123.238 120.570 0.055 0.000 2.947 1012 I HA 0.550 4.720 4.170 -0.000 0.000 0.314 1012 I C -0.494 175.678 176.117 0.091 0.000 1.028 1012 I CA -0.668 60.676 61.300 0.073 0.000 1.077 1012 I CB 1.808 39.870 38.000 0.104 0.000 1.274 1012 I HN 0.481 nan 8.210 nan 0.000 0.485 1013 N N 3.729 122.481 118.700 0.086 0.000 2.455 1013 N HA 0.334 5.074 4.740 -0.000 0.000 0.280 1013 N C -1.839 173.694 175.510 0.038 0.000 1.055 1013 N CA -1.867 51.235 53.050 0.087 0.000 0.961 1013 N CB 1.913 40.479 38.487 0.131 0.000 1.121 1013 N HN 0.493 nan 8.380 nan 0.000 0.476 1014 P HA -0.114 nan 4.420 nan 0.000 0.222 1014 P C 0.660 177.874 177.300 -0.143 0.000 1.147 1014 P CA 1.169 64.207 63.100 -0.104 0.000 0.790 1014 P CB 0.160 31.772 31.700 -0.146 0.000 0.780 1015 H N 0.137 119.220 119.070 0.023 0.000 2.543 1015 H HA 0.120 4.676 4.556 -0.000 0.000 0.286 1015 H C 1.482 176.812 175.328 0.004 0.000 1.037 1015 H CA 1.108 57.163 56.048 0.012 0.000 1.250 1015 H CB -0.255 29.515 29.762 0.014 0.000 1.373 1015 H HN 0.173 nan 8.280 nan 0.000 0.580 1016 A N 0.466 123.335 122.820 0.082 0.000 2.415 1016 A HA 0.150 4.470 4.320 -0.000 0.000 0.248 1016 A C 1.629 179.211 177.584 -0.004 0.000 1.299 1016 A CA -0.072 51.992 52.037 0.045 0.000 0.899 1016 A CB -0.133 18.891 19.000 0.040 0.000 0.997 1016 A HN 0.099 nan 8.150 nan 0.000 0.506 1017 I N -0.421 120.138 120.570 -0.019 0.000 3.132 1017 I HA 0.072 4.242 4.170 -0.000 0.000 0.255 1017 I C -0.626 175.471 176.117 -0.034 0.000 1.118 1017 I CA 0.098 61.365 61.300 -0.054 0.000 1.463 1017 I CB -2.218 35.729 38.000 -0.088 0.000 1.356 1017 I HN 0.040 nan 8.210 nan 0.000 0.463 1018 P HA -0.174 nan 4.420 nan 0.000 0.213 1018 P C 1.971 179.272 177.300 0.001 0.000 1.176 1018 P CA 2.584 65.679 63.100 -0.008 0.000 0.919 1018 P CB -0.122 31.584 31.700 0.009 0.000 0.791 1019 S N -1.095 114.614 115.700 0.015 0.000 2.402 1019 S HA -0.112 4.358 4.470 -0.000 0.000 0.229 1019 S C 1.866 176.480 174.600 0.022 0.000 1.021 1019 S CA 0.720 58.932 58.200 0.020 0.000 0.974 1019 S CB -0.850 62.366 63.200 0.028 0.000 0.800 1019 S HN -0.001 nan 8.310 nan 0.000 0.484 1020 R N 0.918 121.432 120.500 0.022 0.000 2.189 1020 R HA 0.173 4.513 4.340 -0.000 0.000 0.223 1020 R C 0.640 176.952 176.300 0.019 0.000 1.092 1020 R CA 0.596 56.717 56.100 0.034 0.000 0.989 1020 R CB -0.932 29.391 30.300 0.038 0.000 0.876 1020 R HN 0.431 nan 8.270 nan 0.000 0.457 1021 M N -0.272 119.328 119.600 0.001 0.000 2.732 1021 M HA -0.161 4.319 4.480 -0.000 0.000 0.207 1021 M C 0.125 176.420 176.300 -0.009 0.000 0.513 1021 M CA 0.895 56.191 55.300 -0.007 0.000 0.652 1021 M CB -2.979 29.619 32.600 -0.003 0.000 2.410 1021 M HN 0.055 nan 8.290 nan 0.000 0.660 1022 T N 0.547 115.091 114.554 -0.018 0.000 3.540 1022 T HA 0.433 4.783 4.350 -0.000 0.000 0.269 1022 T C 1.377 176.033 174.700 -0.073 0.000 1.481 1022 T CA -0.002 62.082 62.100 -0.027 0.000 1.224 1022 T CB -0.194 68.676 68.868 0.004 0.000 1.192 1022 T HN 0.251 nan 8.240 nan 0.000 0.756 1023 V N 2.306 122.187 119.914 -0.055 0.000 2.407 1023 V HA -0.153 3.967 4.120 -0.000 0.000 0.248 1023 V C 2.893 178.921 176.094 -0.109 0.000 1.055 1023 V CA 2.004 64.264 62.300 -0.067 0.000 1.049 1023 V CB -1.062 30.750 31.823 -0.019 0.000 0.662 1023 V HN 0.808 nan 8.190 nan 0.000 0.455 1024 A N -0.511 122.233 122.820 -0.127 0.000 1.948 1024 A HA -0.336 3.984 4.320 -0.000 0.000 0.220 1024 A C 2.249 179.632 177.584 -0.336 0.000 1.177 1024 A CA 2.206 54.132 52.037 -0.186 0.000 0.636 1024 A CB -0.901 18.060 19.000 -0.065 0.000 0.815 1024 A HN 0.704 nan 8.150 nan 0.000 0.449 1025 H N 0.354 118.989 119.070 -0.725 0.000 2.319 1025 H HA -0.100 4.456 4.556 -0.000 0.000 0.299 1025 H C 1.881 177.165 175.328 -0.074 0.000 1.092 1025 H CA 2.071 57.833 56.048 -0.477 0.000 1.302 1025 H CB -0.312 29.306 29.762 -0.241 0.000 1.373 1025 H HN 0.450 nan 8.280 nan 0.000 0.497 1026 L N 0.148 121.449 121.223 0.130 0.000 2.046 1026 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 1026 L C 2.883 179.829 176.870 0.127 0.000 1.077 1026 L CA 1.192 56.105 54.840 0.121 0.000 0.747 1026 L CB -0.418 41.544 42.059 -0.162 0.000 0.896 1026 L HN 0.230 nan 8.230 nan 0.000 0.432 1027 I N -0.352 120.200 120.570 -0.030 0.000 2.315 1027 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 1027 I C 2.616 178.787 176.117 0.089 0.000 1.117 1027 I CA 1.076 62.322 61.300 -0.090 0.000 1.404 1027 I CB -0.384 37.324 38.000 -0.486 0.000 1.071 1027 I HN 0.347 nan 8.210 nan 0.000 0.419 1028 E N 0.707 121.006 120.200 0.166 0.000 2.110 1028 E HA -0.289 4.061 4.350 -0.000 0.000 0.193 1028 E C 2.358 179.002 176.600 0.074 0.000 0.988 1028 E CA 1.583 58.095 56.400 0.187 0.000 0.804 1028 E CB -0.049 29.744 29.700 0.153 0.000 0.745 1028 E HN 0.575 nan 8.360 nan 0.000 0.458 1029 C N 0.211 119.551 119.300 0.067 0.000 2.442 1029 C HA -0.139 4.321 4.460 -0.000 0.000 0.279 1029 C C 2.670 177.628 174.990 -0.054 0.000 1.237 1029 C CA 0.936 59.952 59.018 -0.003 0.000 1.722 1029 C CB -1.218 26.572 27.740 0.082 0.000 2.056 1029 C HN 0.591 nan 8.230 nan 0.000 0.469 1030 L N 0.731 121.982 121.223 0.046 0.000 1.997 1030 L HA -0.139 4.201 4.340 -0.000 0.000 0.216 1030 L C 2.342 179.199 176.870 -0.022 0.000 1.074 1030 L CA 2.267 57.110 54.840 0.005 0.000 0.763 1030 L CB -1.065 41.043 42.059 0.081 0.000 0.890 1030 L HN 0.474 nan 8.230 nan 0.000 0.434 1031 L N -1.212 120.032 121.223 0.035 0.000 1.989 1031 L HA -0.241 4.099 4.340 -0.000 0.000 0.211 1031 L C 2.524 179.375 176.870 -0.032 0.000 1.071 1031 L CA 2.223 57.087 54.840 0.039 0.000 0.749 1031 L CB -0.745 41.401 42.059 0.146 0.000 0.890 1031 L HN 0.294 nan 8.230 nan 0.000 0.431 1032 S N -0.767 114.905 115.700 -0.046 0.000 2.400 1032 S HA -0.242 4.228 4.470 -0.000 0.000 0.232 1032 S C 1.953 176.474 174.600 -0.132 0.000 1.025 1032 S CA 1.552 59.701 58.200 -0.086 0.000 0.993 1032 S CB -0.323 62.832 63.200 -0.074 0.000 0.808 1032 S HN 0.412 nan 8.310 nan 0.000 0.478 1033 K N 0.976 121.275 120.400 -0.168 0.000 2.002 1033 K HA -0.064 4.256 4.320 -0.000 0.000 0.209 1033 K C 1.964 178.423 176.600 -0.236 0.000 1.048 1033 K CA 1.310 57.455 56.287 -0.237 0.000 0.930 1033 K CB -0.292 32.033 32.500 -0.291 0.000 0.714 1033 K HN 0.143 nan 8.250 nan 0.000 0.438 1034 V N 1.365 121.162 119.914 -0.195 0.000 2.380 1034 V HA -0.294 3.826 4.120 -0.000 0.000 0.251 1034 V C 2.378 178.353 176.094 -0.199 0.000 1.063 1034 V CA 2.077 64.249 62.300 -0.213 0.000 1.055 1034 V CB -0.753 31.011 31.823 -0.099 0.000 0.657 1034 V HN 0.493 nan 8.190 nan 0.000 0.455 1035 A N -0.131 122.609 122.820 -0.133 0.000 1.898 1035 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 1035 A C 2.423 179.940 177.584 -0.111 0.000 1.181 1035 A CA 2.001 53.976 52.037 -0.104 0.000 0.620 1035 A CB -0.753 18.194 19.000 -0.089 0.000 0.819 1035 A HN 0.575 nan 8.150 nan 0.000 0.442 1036 A N -0.385 122.358 122.820 -0.129 0.000 1.930 1036 A HA 0.022 4.342 4.320 -0.000 0.000 0.217 1036 A C 2.059 179.575 177.584 -0.112 0.000 1.175 1036 A CA 1.380 53.349 52.037 -0.112 0.000 0.627 1036 A CB -0.539 18.387 19.000 -0.123 0.000 0.815 1036 A HN 0.464 nan 8.150 nan 0.000 0.443 1037 L N 0.082 121.194 121.223 -0.185 0.000 2.376 1037 L HA -0.052 4.288 4.340 -0.000 0.000 0.219 1037 L C 2.062 178.859 176.870 -0.122 0.000 1.133 1037 L CA 1.274 55.996 54.840 -0.196 0.000 0.816 1037 L CB -0.026 41.776 42.059 -0.430 0.000 0.933 1037 L HN 0.578 nan 8.230 nan 0.000 0.449 1038 S N -2.106 113.528 115.700 -0.109 0.000 2.780 1038 S HA 0.252 4.722 4.470 -0.000 0.000 0.248 1038 S C 1.317 175.929 174.600 0.020 0.000 1.036 1038 S CA 0.238 58.460 58.200 0.037 0.000 1.061 1038 S CB 0.851 64.098 63.200 0.078 0.000 1.037 1038 S HN 0.372 nan 8.310 nan 0.000 0.584 1039 G N 2.062 110.854 108.800 -0.014 0.000 2.212 1039 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.267 1039 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.267 1039 G C -0.236 174.653 174.900 -0.018 0.000 1.002 1039 G CA 0.331 45.423 45.100 -0.014 0.000 0.729 1039 G HN 0.582 nan 8.290 nan 0.000 0.517 1040 N N 0.223 118.909 118.700 -0.024 0.000 2.417 1040 N HA 0.392 5.132 4.740 -0.000 0.000 0.300 1040 N C -0.162 175.318 175.510 -0.049 0.000 1.102 1040 N CA -0.514 52.520 53.050 -0.027 0.000 0.886 1040 N CB 1.405 39.885 38.487 -0.011 0.000 1.203 1040 N HN 0.475 nan 8.380 nan 0.000 0.496 1041 E N 0.097 120.262 120.200 -0.059 0.000 2.316 1041 E HA 0.267 4.617 4.350 -0.000 0.000 0.275 1041 E C 0.131 176.676 176.600 -0.091 0.000 1.029 1041 E CA -0.534 55.815 56.400 -0.084 0.000 0.871 1041 E CB 0.539 30.181 29.700 -0.097 0.000 1.022 1041 E HN 0.598 nan 8.360 nan 0.000 0.418 1042 G N 3.489 112.225 108.800 -0.107 0.000 2.380 1042 G HA2 0.032 3.992 3.960 -0.000 0.000 0.262 1042 G HA3 0.032 3.992 3.960 -0.000 0.000 0.262 1042 G C -0.578 174.224 174.900 -0.164 0.000 1.243 1042 G CA -0.431 44.605 45.100 -0.107 0.000 0.865 1042 G HN 0.538 nan 8.290 nan 0.000 0.513 1043 D N 1.564 121.875 120.400 -0.147 0.000 2.396 1043 D HA 0.436 5.076 4.640 -0.000 0.000 0.225 1043 D C 0.550 176.630 176.300 -0.366 0.000 1.121 1043 D CA -0.461 53.412 54.000 -0.213 0.000 0.853 1043 D CB 1.121 41.843 40.800 -0.130 0.000 1.043 1043 D HN 0.340 nan 8.370 nan 0.000 0.500 1044 A N 3.010 125.460 122.820 -0.617 0.000 2.827 1044 A HA 0.296 4.616 4.320 -0.000 0.000 0.300 1044 A C 0.390 177.454 177.584 -0.867 0.000 1.237 1044 A CA -0.504 50.716 52.037 -1.362 0.000 0.964 1044 A CB 0.002 18.254 19.000 -1.247 0.000 1.143 1044 A HN 0.356 nan 8.150 nan 0.000 0.554 1045 S N 3.073 118.509 115.700 -0.440 0.000 2.545 1045 S HA 0.418 4.888 4.470 -0.000 0.000 0.275 1045 S C -2.289 172.270 174.600 -0.068 0.000 1.299 1045 S CA -0.784 57.289 58.200 -0.210 0.000 1.048 1045 S CB 0.710 63.835 63.200 -0.125 0.000 0.938 1045 S HN 0.509 nan 8.310 nan 0.000 0.496 1046 P HA 0.160 nan 4.420 nan 0.000 0.272 1046 P C -0.399 176.832 177.300 -0.115 0.000 1.230 1046 P CA -0.187 62.735 63.100 -0.297 0.000 0.788 1046 P CB -0.020 31.256 31.700 -0.707 0.000 0.949 1047 F N -2.413 117.690 119.950 0.254 0.000 3.039 1047 F HA -0.223 4.304 4.527 -0.000 0.000 0.287 1047 F C 0.936 176.885 175.800 0.249 0.000 0.956 1047 F CA 0.546 58.674 58.000 0.214 0.000 0.971 1047 F CB -2.541 36.553 39.000 0.156 0.000 0.943 1047 F HN 0.474 nan 8.300 nan 0.000 0.766 1048 T N -4.928 109.841 114.554 0.359 0.000 2.724 1048 T HA 0.407 4.757 4.350 -0.000 0.000 0.274 1048 T C 0.330 175.178 174.700 0.246 0.000 0.984 1048 T CA -0.647 61.637 62.100 0.307 0.000 1.024 1048 T CB 2.321 71.348 68.868 0.265 0.000 1.320 1048 T HN 0.034 nan 8.240 nan 0.000 0.555 1049 D N 0.105 120.626 120.400 0.202 0.000 2.368 1049 D HA 0.314 4.954 4.640 -0.000 0.000 0.218 1049 D C 0.331 176.718 176.300 0.145 0.000 1.112 1049 D CA -0.072 54.025 54.000 0.162 0.000 0.834 1049 D CB 0.127 41.008 40.800 0.134 0.000 0.953 1049 D HN 0.481 nan 8.370 nan 0.000 0.505 1050 I N 1.026 121.697 120.570 0.169 0.000 2.648 1050 I HA -0.024 4.145 4.170 -0.000 0.000 0.284 1050 I C 0.707 176.884 176.117 0.100 0.000 1.153 1050 I CA 0.802 62.191 61.300 0.149 0.000 1.426 1050 I CB 0.956 39.087 38.000 0.217 0.000 1.381 1050 I HN -0.242 nan 8.210 nan 0.000 0.571 1051 T N 4.626 119.214 114.554 0.056 0.000 2.907 1051 T HA 0.239 4.589 4.350 -0.000 0.000 0.290 1051 T C 0.962 175.647 174.700 -0.025 0.000 1.066 1051 T CA -0.613 61.496 62.100 0.015 0.000 1.012 1051 T CB 2.252 71.145 68.868 0.041 0.000 1.184 1051 T HN 0.276 nan 8.240 nan 0.000 0.522 1052 V N 1.264 121.152 119.914 -0.044 0.000 2.453 1052 V HA -0.080 4.040 4.120 -0.000 0.000 0.247 1052 V C 2.498 178.594 176.094 0.004 0.000 1.048 1052 V CA 1.514 63.787 62.300 -0.045 0.000 1.049 1052 V CB -0.414 31.379 31.823 -0.050 0.000 0.672 1052 V HN 0.740 nan 8.190 nan 0.000 0.457 1053 E N 0.809 121.019 120.200 0.017 0.000 2.077 1053 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 1053 E C 2.341 178.965 176.600 0.041 0.000 0.989 1053 E CA 1.538 57.958 56.400 0.033 0.000 0.800 1053 E CB -0.777 28.943 29.700 0.035 0.000 0.746 1053 E HN 0.594 nan 8.360 nan 0.000 0.452 1054 G N 1.342 110.167 108.800 0.041 0.000 2.433 1054 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 1054 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 1054 G C 1.784 176.716 174.900 0.054 0.000 1.186 1054 G CA 0.869 45.999 45.100 0.050 0.000 0.779 1054 G HN 0.222 nan 8.290 nan 0.000 0.543 1055 I N 0.892 121.489 120.570 0.045 0.000 2.286 1055 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 1055 I C 2.990 179.140 176.117 0.054 0.000 1.115 1055 I CA 1.028 62.356 61.300 0.047 0.000 1.392 1055 I CB -0.209 37.811 38.000 0.033 0.000 1.065 1055 I HN 0.082 nan 8.210 nan 0.000 0.418 1056 S N 0.468 116.199 115.700 0.053 0.000 2.382 1056 S HA -0.178 4.292 4.470 -0.000 0.000 0.228 1056 S C 1.977 176.626 174.600 0.083 0.000 1.027 1056 S CA 1.297 59.538 58.200 0.069 0.000 0.991 1056 S CB -0.132 63.107 63.200 0.065 0.000 0.823 1056 S HN 0.364 nan 8.310 nan 0.000 0.469 1057 K N 0.870 121.315 120.400 0.074 0.000 2.026 1057 K HA 0.009 4.329 4.320 -0.000 0.000 0.208 1057 K C 2.019 178.679 176.600 0.099 0.000 1.048 1057 K CA 1.064 57.398 56.287 0.078 0.000 0.929 1057 K CB -0.331 32.207 32.500 0.064 0.000 0.713 1057 K HN 0.280 nan 8.250 nan 0.000 0.439 1058 L N 0.669 121.956 121.223 0.107 0.000 2.042 1058 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 1058 L C 2.454 179.473 176.870 0.247 0.000 1.076 1058 L CA 0.678 55.611 54.840 0.156 0.000 0.749 1058 L CB -0.471 41.667 42.059 0.131 0.000 0.893 1058 L HN 0.215 nan 8.230 nan 0.000 0.432 1059 L N 0.276 121.602 121.223 0.172 0.000 2.083 1059 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 1059 L C 2.681 179.710 176.870 0.265 0.000 1.083 1059 L CA 1.632 56.584 54.840 0.187 0.000 0.752 1059 L CB -0.616 41.497 42.059 0.091 0.000 0.899 1059 L HN 0.098 nan 8.230 nan 0.000 0.433 1060 R N 0.400 121.014 120.500 0.190 0.000 2.073 1060 R HA -0.173 4.167 4.340 -0.000 0.000 0.234 1060 R C 2.133 178.514 176.300 0.136 0.000 1.134 1060 R CA 1.968 58.163 56.100 0.158 0.000 0.952 1060 R CB -0.593 29.773 30.300 0.111 0.000 0.850 1060 R HN 0.541 nan 8.270 nan 0.000 0.433 1061 E N -0.766 119.503 120.200 0.116 0.000 2.219 1061 E HA -0.201 4.149 4.350 -0.000 0.000 0.198 1061 E C 1.262 177.840 176.600 -0.038 0.000 0.998 1061 E CA 1.122 57.536 56.400 0.024 0.000 0.818 1061 E CB -0.141 29.554 29.700 -0.009 0.000 0.741 1061 E HN 0.563 nan 8.360 nan 0.000 0.477 1062 H N -1.114 118.021 119.070 0.108 0.000 2.533 1062 H HA 0.097 4.653 4.556 -0.000 0.000 0.271 1062 H C 1.263 176.640 175.328 0.082 0.000 1.000 1062 H CA 0.724 56.857 56.048 0.142 0.000 1.149 1062 H CB 0.783 30.688 29.762 0.239 0.000 1.375 1062 H HN 0.351 nan 8.280 nan 0.000 0.582 1063 G N 0.401 109.257 108.800 0.093 0.000 2.157 1063 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.248 1063 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.248 1063 G C -0.335 174.461 174.900 -0.173 0.000 0.979 1063 G CA -0.057 45.000 45.100 -0.072 0.000 0.650 1063 G HN 0.366 nan 8.290 nan 0.000 0.529 1064 Y N -0.067 120.295 120.300 0.103 0.000 2.453 1064 Y HA 0.555 5.105 4.550 -0.000 0.000 0.326 1064 Y C 0.743 176.701 175.900 0.096 0.000 1.186 1064 Y CA -0.521 57.636 58.100 0.095 0.000 1.200 1064 Y CB 0.977 39.490 38.460 0.088 0.000 1.247 1064 Y HN 0.261 nan 8.280 nan 0.000 0.482 1065 Q N 0.487 120.458 119.800 0.284 0.000 2.262 1065 Q HA 0.103 4.443 4.340 -0.000 0.000 0.272 1065 Q C 0.890 177.021 176.000 0.219 0.000 1.076 1065 Q CA 0.427 56.362 55.803 0.221 0.000 0.905 1065 Q CB 1.209 30.088 28.738 0.234 0.000 1.182 1065 Q HN 0.737 nan 8.270 nan 0.000 0.390 1066 S N 3.887 119.694 115.700 0.178 0.000 2.461 1066 S HA -0.230 4.240 4.470 -0.000 0.000 0.249 1066 S C 0.922 175.601 174.600 0.132 0.000 1.012 1066 S CA 1.123 59.410 58.200 0.146 0.000 0.982 1066 S CB -0.163 63.109 63.200 0.120 0.000 0.764 1066 S HN 0.706 nan 8.310 nan 0.000 0.506 1067 R N 0.678 121.278 120.500 0.166 0.000 2.466 1067 R HA 0.358 4.698 4.340 -0.000 0.000 0.279 1067 R C 1.670 178.021 176.300 0.085 0.000 0.976 1067 R CA 0.358 56.537 56.100 0.131 0.000 1.081 1067 R CB -0.738 29.672 30.300 0.182 0.000 1.215 1067 R HN 0.628 nan 8.270 nan 0.000 0.546 1068 G N 0.639 109.483 108.800 0.073 0.000 2.225 1068 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.254 1068 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.254 1068 G C 0.185 175.039 174.900 -0.078 0.000 0.988 1068 G CA -0.191 44.856 45.100 -0.088 0.000 0.625 1068 G HN 0.308 nan 8.290 nan 0.000 0.527 1069 F N 1.445 121.534 119.950 0.230 0.000 2.410 1069 F HA 0.594 5.120 4.527 -0.000 0.000 0.334 1069 F C 1.045 176.927 175.800 0.136 0.000 1.134 1069 F CA 0.141 58.253 58.000 0.187 0.000 1.227 1069 F CB 0.667 39.762 39.000 0.158 0.000 1.194 1069 F HN 0.064 nan 8.300 nan 0.000 0.571 1070 E N 0.418 120.810 120.200 0.321 0.000 2.343 1070 E HA 0.318 4.668 4.350 -0.000 0.000 0.278 1070 E C -1.477 175.174 176.600 0.084 0.000 0.910 1070 E CA -0.932 55.583 56.400 0.191 0.000 0.757 1070 E CB 2.848 32.641 29.700 0.154 0.000 1.218 1070 E HN 0.182 nan 8.360 nan 0.000 0.435 1071 V N 3.493 123.436 119.914 0.050 0.000 2.637 1071 V HA 0.208 4.328 4.120 -0.000 0.000 0.296 1071 V C 0.215 176.251 176.094 -0.097 0.000 1.046 1071 V CA 0.650 62.918 62.300 -0.053 0.000 1.066 1071 V CB 0.447 32.235 31.823 -0.058 0.000 0.968 1071 V HN 0.585 nan 8.190 nan 0.000 0.483 1072 M N 4.405 123.865 119.600 -0.234 0.000 2.619 1072 M HA 0.558 5.038 4.480 -0.000 0.000 0.297 1072 M C -1.705 174.313 176.300 -0.470 0.000 1.229 1072 M CA -0.657 54.492 55.300 -0.252 0.000 0.860 1072 M CB 2.695 35.138 32.600 -0.261 0.000 1.741 1072 M HN 0.489 nan 8.290 nan 0.000 0.462 1073 Y N 0.137 120.036 120.300 -0.668 0.000 2.429 1073 Y HA 0.358 4.907 4.550 -0.000 0.000 0.342 1073 Y C 0.236 175.747 175.900 -0.647 0.000 1.004 1073 Y CA -1.200 56.455 58.100 -0.742 0.000 1.075 1073 Y CB 0.926 38.684 38.460 -1.170 0.000 1.214 1073 Y HN 0.555 nan 8.280 nan 0.000 0.455 1074 N N 0.932 119.536 118.700 -0.160 0.000 2.513 1074 N HA 0.014 4.753 4.740 -0.000 0.000 0.268 1074 N C 1.012 176.563 175.510 0.067 0.000 1.180 1074 N CA 0.624 53.663 53.050 -0.019 0.000 0.948 1074 N CB 1.582 40.049 38.487 -0.034 0.000 1.083 1074 N HN 1.047 nan 8.380 nan 0.000 0.455 1075 G N 2.406 111.275 108.800 0.115 0.000 2.484 1075 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 1075 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 1075 G C 0.959 175.963 174.900 0.173 0.000 1.130 1075 G CA 0.570 45.795 45.100 0.210 0.000 0.784 1075 G HN 0.712 nan 8.290 nan 0.000 0.543 1076 H N -0.352 118.783 119.070 0.108 0.000 2.512 1076 H HA 0.136 4.692 4.556 -0.000 0.000 0.279 1076 H C 2.085 177.447 175.328 0.056 0.000 0.999 1076 H CA 1.344 57.417 56.048 0.042 0.000 1.283 1076 H CB 0.139 29.892 29.762 -0.015 0.000 1.421 1076 H HN 0.254 nan 8.280 nan 0.000 0.554 1077 T N -2.051 112.612 114.554 0.181 0.000 3.058 1077 T HA 0.297 4.647 4.350 -0.000 0.000 0.247 1077 T C 1.666 176.460 174.700 0.157 0.000 0.987 1077 T CA 0.885 63.067 62.100 0.137 0.000 1.062 1077 T CB 0.644 69.569 68.868 0.095 0.000 1.048 1077 T HN 0.510 nan 8.240 nan 0.000 0.468 1078 G N 1.869 110.797 108.800 0.214 0.000 2.254 1078 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.225 1078 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.225 1078 G C 0.201 175.266 174.900 0.275 0.000 1.003 1078 G CA 0.227 45.510 45.100 0.305 0.000 0.622 1078 G HN 0.579 nan 8.290 nan 0.000 0.507 1079 K N 1.702 122.193 120.400 0.150 0.000 2.382 1079 K HA 0.394 4.714 4.320 -0.000 0.000 0.275 1079 K C 0.882 177.459 176.600 -0.038 0.000 1.009 1079 K CA -0.304 56.033 56.287 0.083 0.000 0.970 1079 K CB 0.301 32.820 32.500 0.030 0.000 0.934 1079 K HN 0.306 nan 8.250 nan 0.000 0.479 1080 K N 2.409 122.693 120.400 -0.193 0.000 2.285 1080 K HA 0.067 4.387 4.320 -0.000 0.000 0.255 1080 K C -0.033 176.392 176.600 -0.292 0.000 1.000 1080 K CA -0.033 55.945 56.287 -0.515 0.000 0.887 1080 K CB 0.304 32.469 32.500 -0.559 0.000 0.997 1080 K HN 0.435 nan 8.250 nan 0.000 0.510 1081 L N 1.699 122.737 121.223 -0.309 0.000 2.343 1081 L HA 0.194 4.534 4.340 -0.000 0.000 0.275 1081 L C 1.184 177.958 176.870 -0.161 0.000 1.056 1081 L CA -0.646 54.089 54.840 -0.175 0.000 0.804 1081 L CB 1.127 43.105 42.059 -0.135 0.000 1.203 1081 L HN 0.658 nan 8.230 nan 0.000 0.440 1082 M N 2.080 121.615 119.600 -0.109 0.000 2.319 1082 M HA 0.093 4.572 4.480 -0.000 0.000 0.265 1082 M C 0.534 176.774 176.300 -0.101 0.000 1.068 1082 M CA 0.884 56.126 55.300 -0.097 0.000 1.118 1082 M CB -0.097 32.462 32.600 -0.069 0.000 1.395 1082 M HN 0.630 nan 8.290 nan 0.000 0.435 1083 A N -0.222 122.544 122.820 -0.091 0.000 2.320 1083 A HA 0.661 4.981 4.320 -0.000 0.000 0.334 1083 A C -0.595 176.932 177.584 -0.095 0.000 1.147 1083 A CA -0.730 51.250 52.037 -0.094 0.000 0.820 1083 A CB 0.630 19.595 19.000 -0.059 0.000 1.218 1083 A HN 0.383 nan 8.150 nan 0.000 0.482 1084 Q N 0.056 119.784 119.800 -0.120 0.000 2.214 1084 Q HA 0.663 5.003 4.340 -0.000 0.000 0.251 1084 Q C -0.872 175.204 176.000 0.126 0.000 0.936 1084 Q CA 0.140 55.915 55.803 -0.046 0.000 0.894 1084 Q CB 1.611 30.299 28.738 -0.083 0.000 1.252 1084 Q HN 0.620 nan 8.270 nan 0.000 0.448 1085 I N 1.397 122.105 120.570 0.230 0.000 2.404 1085 I HA 0.269 4.439 4.170 -0.000 0.000 0.293 1085 I C -0.678 175.718 176.117 0.465 0.000 0.992 1085 I CA -0.987 60.514 61.300 0.335 0.000 1.149 1085 I CB 0.966 39.046 38.000 0.133 0.000 1.315 1085 I HN 0.514 nan 8.210 nan 0.000 0.446 1086 F N 7.327 127.441 119.950 0.274 0.000 2.519 1086 F HA 0.241 4.768 4.527 -0.000 0.000 0.375 1086 F C -0.862 175.046 175.800 0.179 0.000 1.084 1086 F CA 0.089 58.082 58.000 -0.011 0.000 1.147 1086 F CB -0.048 38.855 39.000 -0.162 0.000 1.088 1086 F HN 0.199 nan 8.300 nan 0.000 0.555 1087 F N 4.611 124.325 119.950 -0.393 0.000 2.540 1087 F HA 0.772 5.298 4.527 -0.000 0.000 0.317 1087 F C -0.162 175.368 175.800 -0.449 0.000 1.104 1087 F CA -0.585 57.236 58.000 -0.299 0.000 0.913 1087 F CB 1.802 40.727 39.000 -0.126 0.000 1.170 1087 F HN 0.641 nan 8.300 nan 0.000 0.450 1088 G N 4.767 113.154 108.800 -0.689 0.000 2.338 1088 G HA2 0.403 4.363 3.960 -0.000 0.000 0.295 1088 G HA3 0.403 4.363 3.960 -0.000 0.000 0.295 1088 G C -3.516 171.108 174.900 -0.459 0.000 1.461 1088 G CA -0.972 43.785 45.100 -0.571 0.000 0.817 1088 G HN 0.349 nan 8.290 nan 0.000 0.556 1089 P HA 0.546 nan 4.420 nan 0.000 0.282 1089 P C -0.736 176.516 177.300 -0.080 0.000 1.249 1089 P CA 0.008 62.995 63.100 -0.187 0.000 0.806 1089 P CB 1.855 33.464 31.700 -0.151 0.000 0.984 1090 T N 1.616 116.193 114.554 0.039 0.000 2.923 1090 T HA 0.211 4.561 4.350 -0.000 0.000 0.311 1090 T C -1.277 173.592 174.700 0.282 0.000 1.183 1090 T CA -0.216 61.953 62.100 0.115 0.000 1.020 1090 T CB 0.807 69.749 68.868 0.124 0.000 1.165 1090 T HN 0.192 nan 8.240 nan 0.000 0.482 1091 Y N 2.404 122.730 120.300 0.043 0.000 2.436 1091 Y HA 0.482 5.032 4.550 -0.000 0.000 0.336 1091 Y C -1.091 174.846 175.900 0.061 0.000 1.049 1091 Y CA -0.492 57.658 58.100 0.084 0.000 1.294 1091 Y CB 0.148 38.615 38.460 0.012 0.000 1.179 1091 Y HN 0.549 nan 8.280 nan 0.000 0.520 1092 Y N 3.314 123.562 120.300 -0.088 0.000 2.485 1092 Y HA 0.440 4.990 4.550 -0.000 0.000 0.345 1092 Y C -0.531 175.358 175.900 -0.018 0.000 0.998 1092 Y CA -0.953 57.160 58.100 0.021 0.000 1.059 1092 Y CB 1.887 40.438 38.460 0.153 0.000 1.234 1092 Y HN 0.447 nan 8.280 nan 0.000 0.461 1093 Q N 2.554 122.406 119.800 0.086 0.000 2.316 1093 Q HA 0.444 4.784 4.340 -0.000 0.000 0.264 1093 Q C -0.800 175.182 176.000 -0.029 0.000 0.987 1093 Q CA -1.083 54.747 55.803 0.046 0.000 0.852 1093 Q CB 2.517 31.254 28.738 -0.001 0.000 1.287 1093 Q HN 0.488 nan 8.270 nan 0.000 0.448 1094 R N 3.579 124.028 120.500 -0.084 0.000 2.234 1094 R HA 0.310 4.650 4.340 -0.000 0.000 0.324 1094 R C -0.905 175.185 176.300 -0.351 0.000 1.054 1094 R CA -0.157 55.668 56.100 -0.458 0.000 0.912 1094 R CB 0.302 30.472 30.300 -0.217 0.000 1.030 1094 R HN 0.588 nan 8.270 nan 0.000 0.455 1095 L N 4.392 125.335 121.223 -0.465 0.000 2.439 1095 L HA 0.472 4.812 4.340 -0.000 0.000 0.259 1095 L C 0.978 177.678 176.870 -0.283 0.000 1.129 1095 L CA -0.953 53.714 54.840 -0.288 0.000 0.803 1095 L CB 0.981 42.899 42.059 -0.235 0.000 1.161 1095 L HN 0.732 nan 8.230 nan 0.000 0.462 1096 R N -0.715 119.650 120.500 -0.224 0.000 2.519 1096 R HA 0.331 4.671 4.340 -0.000 0.000 0.244 1096 R C -0.726 175.466 176.300 -0.181 0.000 1.241 1096 R CA -0.686 55.260 56.100 -0.257 0.000 1.120 1096 R CB 0.138 30.230 30.300 -0.346 0.000 1.333 1096 R HN 0.585 nan 8.270 nan 0.000 0.587 1097 H N -0.556 118.384 119.070 -0.217 0.000 3.302 1097 H HA -0.106 4.450 4.556 -0.000 0.000 0.341 1097 H C -1.061 174.145 175.328 -0.204 0.000 1.049 1097 H CA 0.847 56.778 56.048 -0.195 0.000 1.073 1097 H CB -1.070 28.591 29.762 -0.168 0.000 1.565 1097 H HN 0.522 nan 8.280 nan 0.000 0.375 1098 M N 1.665 121.189 119.600 -0.126 0.000 2.508 1098 M HA 0.251 4.731 4.480 -0.000 0.000 0.327 1098 M C 2.031 178.257 176.300 -0.124 0.000 1.160 1098 M CA -0.820 54.393 55.300 -0.145 0.000 0.980 1098 M CB 1.939 34.425 32.600 -0.190 0.000 1.693 1098 M HN 0.100 nan 8.290 nan 0.000 0.452 1099 V N 0.753 120.604 119.914 -0.104 0.000 2.262 1099 V HA -0.413 3.706 4.120 -0.000 0.000 0.254 1099 V C 1.400 177.423 176.094 -0.118 0.000 1.050 1099 V CA 2.404 64.648 62.300 -0.094 0.000 1.080 1099 V CB -0.857 30.924 31.823 -0.071 0.000 0.711 1099 V HN 0.918 nan 8.190 nan 0.000 0.479 1100 D N -0.070 120.259 120.400 -0.118 0.000 2.424 1100 D HA -0.161 4.479 4.640 -0.000 0.000 0.221 1100 D C 1.567 177.764 176.300 -0.172 0.000 0.978 1100 D CA 1.419 55.342 54.000 -0.130 0.000 0.971 1100 D CB -0.364 40.370 40.800 -0.110 0.000 0.869 1100 D HN 0.663 nan 8.370 nan 0.000 0.506 1101 D N -0.327 119.963 120.400 -0.183 0.000 2.355 1101 D HA 0.028 4.668 4.640 -0.000 0.000 0.206 1101 D C 1.314 177.442 176.300 -0.287 0.000 1.010 1101 D CA 0.333 54.215 54.000 -0.197 0.000 0.875 1101 D CB 0.329 41.042 40.800 -0.146 0.000 0.966 1101 D HN 0.251 nan 8.370 nan 0.000 0.512 1102 K N 0.236 120.479 120.400 -0.262 0.000 2.402 1102 K HA 0.302 4.622 4.320 -0.000 0.000 0.204 1102 K C 1.557 177.996 176.600 -0.268 0.000 1.056 1102 K CA -0.099 56.033 56.287 -0.259 0.000 1.069 1102 K CB 1.131 33.568 32.500 -0.105 0.000 0.888 1102 K HN -0.001 nan 8.250 nan 0.000 0.546 1103 I N 1.614 122.017 120.570 -0.277 0.000 3.010 1103 I HA -0.152 4.018 4.170 -0.000 0.000 0.271 1103 I C 0.102 176.164 176.117 -0.091 0.000 1.293 1103 I CA 0.405 61.613 61.300 -0.153 0.000 1.452 1103 I CB -0.836 37.094 38.000 -0.117 0.000 1.082 1103 I HN 0.231 nan 8.210 nan 0.000 0.484 1104 H N 2.379 121.444 119.070 -0.007 0.000 3.204 1104 H HA -0.008 4.548 4.556 -0.000 0.000 0.278 1104 H C 0.359 175.688 175.328 0.002 0.000 0.879 1104 H CA 0.558 56.605 56.048 -0.001 0.000 1.410 1104 H CB 0.098 29.860 29.762 0.001 0.000 1.322 1104 H HN 0.322 nan 8.280 nan 0.000 0.544 1105 A N 5.538 128.434 122.820 0.127 0.000 2.466 1105 A HA 0.423 4.743 4.320 -0.000 0.000 0.291 1105 A C 0.158 177.776 177.584 0.056 0.000 1.234 1105 A CA -0.834 51.246 52.037 0.071 0.000 0.752 1105 A CB 0.757 19.783 19.000 0.044 0.000 1.153 1105 A HN 0.660 nan 8.150 nan 0.000 0.458 1106 R N 1.894 122.422 120.500 0.046 0.000 2.280 1106 R HA 0.550 4.890 4.340 -0.000 0.000 0.326 1106 R C -0.213 176.098 176.300 0.018 0.000 1.080 1106 R CA 0.005 56.121 56.100 0.026 0.000 1.002 1106 R CB 1.430 31.739 30.300 0.015 0.000 1.136 1106 R HN 0.669 nan 8.270 nan 0.000 0.509 1107 A N 3.965 126.793 122.820 0.012 0.000 2.360 1107 A HA 0.415 4.735 4.320 -0.000 0.000 0.309 1107 A C -0.367 177.216 177.584 -0.002 0.000 1.311 1107 A CA -0.814 51.226 52.037 0.006 0.000 0.805 1107 A CB 0.510 19.515 19.000 0.008 0.000 1.144 1107 A HN 0.644 nan 8.150 nan 0.000 0.486 1108 R N 1.617 122.113 120.500 -0.006 0.000 2.265 1108 R HA 0.469 4.809 4.340 -0.000 0.000 0.328 1108 R C 1.196 177.488 176.300 -0.013 0.000 0.969 1108 R CA 0.122 56.217 56.100 -0.009 0.000 0.832 1108 R CB 1.841 32.136 30.300 -0.009 0.000 1.139 1108 R HN 0.723 nan 8.270 nan 0.000 0.457 1109 G N 3.562 112.355 108.800 -0.012 0.000 2.524 1109 G HA2 0.036 3.996 3.960 -0.000 0.000 0.210 1109 G HA3 0.036 3.996 3.960 -0.000 0.000 0.210 1109 G C -0.652 174.239 174.900 -0.014 0.000 1.187 1109 G CA 0.064 45.156 45.100 -0.014 0.000 0.825 1109 G HN 0.493 nan 8.290 nan 0.000 0.558 1128 L N -0.996 120.247 121.223 0.033 0.000 4.126 1128 L HA -0.090 4.249 4.340 -0.000 0.000 0.410 1128 L C 0.971 177.887 176.870 0.076 0.000 0.804 1128 L CA 2.112 56.985 54.840 0.054 0.000 2.157 1128 L CB -1.874 40.217 42.059 0.053 0.000 1.460 1128 L HN 1.100 nan 8.230 nan 0.000 0.573 1129 R N -0.518 120.020 120.500 0.064 0.000 2.583 1129 R HA 0.507 4.847 4.340 -0.000 0.000 0.268 1129 R C -0.274 176.110 176.300 0.139 0.000 1.101 1129 R CA -0.121 56.034 56.100 0.092 0.000 1.180 1129 R CB 0.270 30.602 30.300 0.054 0.000 1.128 1129 R HN 0.230 nan 8.270 nan 0.000 0.568 1130 F N 0.787 120.751 119.950 0.024 0.000 2.564 1130 F HA 0.431 4.958 4.527 -0.000 0.000 0.361 1130 F C -0.157 175.659 175.800 0.026 0.000 1.161 1130 F CA -0.378 57.644 58.000 0.038 0.000 1.198 1130 F CB 0.930 39.956 39.000 0.044 0.000 1.424 1130 F HN 0.803 nan 8.300 nan 0.000 0.517 1131 G N 2.357 111.095 108.800 -0.104 0.000 2.583 1131 G HA2 0.166 4.126 3.960 -0.000 0.000 0.280 1131 G HA3 0.166 4.126 3.960 -0.000 0.000 0.280 1131 G C 0.594 175.432 174.900 -0.104 0.000 1.376 1131 G CA -0.386 44.684 45.100 -0.051 0.000 1.043 1131 G HN 0.516 nan 8.290 nan 0.000 0.538 1132 E N -0.732 119.441 120.200 -0.045 0.000 2.114 1132 E HA -0.219 4.131 4.350 -0.000 0.000 0.199 1132 E C 2.542 179.098 176.600 -0.074 0.000 1.008 1132 E CA 1.438 57.816 56.400 -0.037 0.000 0.810 1132 E CB -0.188 29.501 29.700 -0.018 0.000 0.739 1132 E HN 0.430 nan 8.360 nan 0.000 0.456 1133 M N 0.299 119.841 119.600 -0.098 0.000 2.132 1133 M HA -0.160 4.320 4.480 -0.000 0.000 0.263 1133 M C 2.081 178.283 176.300 -0.163 0.000 1.065 1133 M CA 1.321 56.558 55.300 -0.105 0.000 1.122 1133 M CB -0.195 32.350 32.600 -0.092 0.000 1.365 1133 M HN -0.060 nan 8.290 nan 0.000 0.411 1134 E N 0.204 120.229 120.200 -0.291 0.000 2.077 1134 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 1134 E C 1.956 178.320 176.600 -0.393 0.000 0.989 1134 E CA 1.150 57.258 56.400 -0.486 0.000 0.800 1134 E CB -0.326 28.762 29.700 -1.020 0.000 0.746 1134 E HN 0.329 nan 8.360 nan 0.000 0.452 1135 R N 0.762 121.093 120.500 -0.282 0.000 2.081 1135 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 1135 R C 1.231 177.561 176.300 0.050 0.000 1.131 1135 R CA 1.736 57.863 56.100 0.045 0.000 0.960 1135 R CB -0.168 30.206 30.300 0.123 0.000 0.856 1135 R HN 0.150 nan 8.270 nan 0.000 0.436 1136 D N 0.308 120.701 120.400 -0.011 0.000 2.149 1136 D HA -0.175 4.465 4.640 -0.000 0.000 0.198 1136 D C 1.970 178.258 176.300 -0.019 0.000 0.990 1136 D CA 1.332 55.326 54.000 -0.009 0.000 0.839 1136 D CB -0.398 40.384 40.800 -0.031 0.000 0.948 1136 D HN 0.352 nan 8.370 nan 0.000 0.460 1137 C N 0.688 119.966 119.300 -0.037 0.000 2.432 1137 C HA -0.094 4.366 4.460 -0.000 0.000 0.277 1137 C C 2.678 177.687 174.990 0.032 0.000 1.249 1137 C CA 0.356 59.342 59.018 -0.054 0.000 1.725 1137 C CB -0.636 27.081 27.740 -0.038 0.000 2.028 1137 C HN 0.342 nan 8.230 nan 0.000 0.477 1138 M N 0.334 120.030 119.600 0.160 0.000 2.229 1138 M HA -0.018 4.462 4.480 -0.000 0.000 0.264 1138 M C 1.905 178.323 176.300 0.197 0.000 1.063 1138 M CA 1.325 56.788 55.300 0.272 0.000 1.114 1138 M CB -1.241 31.616 32.600 0.428 0.000 1.387 1138 M HN 0.387 nan 8.290 nan 0.000 0.420 1139 I N -0.018 120.627 120.570 0.125 0.000 2.202 1139 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 1139 I C 2.520 178.665 176.117 0.047 0.000 1.091 1139 I CA 1.129 62.481 61.300 0.087 0.000 1.368 1139 I CB -0.526 37.508 38.000 0.058 0.000 1.058 1139 I HN 0.216 nan 8.210 nan 0.000 0.410 1140 A N 0.102 122.913 122.820 -0.014 0.000 1.917 1140 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 1140 A C 2.122 179.669 177.584 -0.061 0.000 1.182 1140 A CA 1.751 53.743 52.037 -0.075 0.000 0.633 1140 A CB -0.992 17.910 19.000 -0.164 0.000 0.819 1140 A HN 0.456 nan 8.150 nan 0.000 0.448 1141 H N -1.109 117.971 119.070 0.016 0.000 2.521 1141 H HA 0.078 4.634 4.556 -0.000 0.000 0.286 1141 H C 1.842 177.181 175.328 0.018 0.000 1.034 1141 H CA 0.860 56.913 56.048 0.008 0.000 1.278 1141 H CB -0.328 29.432 29.762 -0.003 0.000 1.386 1141 H HN 0.686 nan 8.280 nan 0.000 0.567 1142 G N 0.207 109.090 108.800 0.139 0.000 2.143 1142 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.248 1142 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.248 1142 G C 0.607 175.573 174.900 0.109 0.000 0.991 1142 G CA 0.382 45.542 45.100 0.100 0.000 0.689 1142 G HN 0.677 nan 8.290 nan 0.000 0.522 1143 A N 0.024 122.931 122.820 0.145 0.000 2.990 1143 A HA 0.785 5.105 4.320 -0.000 0.000 0.282 1143 A C 1.703 179.392 177.584 0.174 0.000 1.688 1143 A CA 1.056 53.178 52.037 0.142 0.000 1.391 1143 A CB -0.264 18.813 19.000 0.129 0.000 1.112 1143 A HN 1.707 nan 8.150 nan 0.000 0.588 1144 A N 1.571 124.464 122.820 0.121 0.000 1.873 1144 A HA -0.082 4.238 4.320 -0.000 0.000 0.215 1144 A C 2.501 180.140 177.584 0.091 0.000 1.186 1144 A CA 2.033 54.131 52.037 0.101 0.000 0.616 1144 A CB -0.821 18.219 19.000 0.067 0.000 0.823 1144 A HN 1.239 nan 8.150 nan 0.000 0.442 1145 S N -1.033 114.719 115.700 0.086 0.000 2.402 1145 S HA -0.165 4.305 4.470 -0.000 0.000 0.229 1145 S C 1.797 176.427 174.600 0.050 0.000 1.021 1145 S CA 1.339 59.572 58.200 0.055 0.000 0.974 1145 S CB -0.759 62.471 63.200 0.049 0.000 0.800 1145 S HN 0.522 nan 8.310 nan 0.000 0.484 1146 F N 2.464 122.411 119.950 -0.005 0.000 2.102 1146 F HA 0.053 4.579 4.527 -0.000 0.000 0.298 1146 F C 1.919 177.694 175.800 -0.042 0.000 1.105 1146 F CA 1.140 59.125 58.000 -0.024 0.000 1.239 1146 F CB -0.446 38.553 39.000 -0.002 0.000 0.991 1146 F HN 0.130 nan 8.300 nan 0.000 0.474 1147 L N 0.342 121.591 121.223 0.043 0.000 2.083 1147 L HA -0.242 4.098 4.340 -0.000 0.000 0.209 1147 L C 2.615 179.403 176.870 -0.136 0.000 1.083 1147 L CA 1.795 56.619 54.840 -0.026 0.000 0.752 1147 L CB -0.668 41.465 42.059 0.123 0.000 0.899 1147 L HN 0.163 nan 8.230 nan 0.000 0.433 1148 K N 0.249 120.592 120.400 -0.096 0.000 2.031 1148 K HA -0.235 4.085 4.320 -0.000 0.000 0.205 1148 K C 2.060 178.564 176.600 -0.160 0.000 1.049 1148 K CA 1.526 57.758 56.287 -0.092 0.000 0.939 1148 K CB -0.036 32.438 32.500 -0.043 0.000 0.717 1148 K HN 0.265 nan 8.250 nan 0.000 0.438 1149 E N 0.239 120.306 120.200 -0.220 0.000 2.051 1149 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 1149 E C 2.171 178.559 176.600 -0.353 0.000 0.991 1149 E CA 0.904 57.151 56.400 -0.255 0.000 0.799 1149 E CB 0.124 29.667 29.700 -0.262 0.000 0.748 1149 E HN 0.118 nan 8.360 nan 0.000 0.449 1150 R N 0.123 120.275 120.500 -0.581 0.000 2.153 1150 R HA 0.031 4.371 4.340 -0.000 0.000 0.218 1150 R C 2.189 178.233 176.300 -0.426 0.000 1.072 1150 R CA 0.553 56.257 56.100 -0.660 0.000 0.990 1150 R CB -0.112 29.461 30.300 -1.212 0.000 0.889 1150 R HN 0.308 nan 8.270 nan 0.000 0.452 1151 L N -0.605 120.440 121.223 -0.296 0.000 2.554 1151 L HA 0.233 4.573 4.340 -0.000 0.000 0.225 1151 L C 1.059 177.866 176.870 -0.105 0.000 1.104 1151 L CA -0.153 54.595 54.840 -0.153 0.000 0.866 1151 L CB 0.096 42.109 42.059 -0.077 0.000 1.047 1151 L HN 0.034 nan 8.230 nan 0.000 0.468 1152 M N 0.955 120.485 119.600 -0.117 0.000 2.217 1152 M HA 0.081 4.561 4.480 -0.000 0.000 0.354 1152 M C 0.512 176.770 176.300 -0.070 0.000 1.225 1152 M CA 0.296 55.549 55.300 -0.077 0.000 1.137 1152 M CB 1.040 33.597 32.600 -0.071 0.000 1.576 1152 M HN 0.037 nan 8.290 nan 0.000 0.461 1153 E N 2.326 122.498 120.200 -0.047 0.000 2.359 1153 E HA 0.340 4.690 4.350 -0.000 0.000 0.255 1153 E C 0.593 177.175 176.600 -0.029 0.000 1.191 1153 E CA 0.233 56.610 56.400 -0.038 0.000 0.952 1153 E CB 1.139 30.822 29.700 -0.029 0.000 1.152 1153 E HN 0.854 nan 8.360 nan 0.000 0.496 1154 A N 1.104 123.910 122.820 -0.023 0.000 1.877 1154 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 1154 A C 0.893 178.475 177.584 -0.003 0.000 1.186 1154 A CA 1.305 53.332 52.037 -0.017 0.000 0.620 1154 A CB -1.207 17.784 19.000 -0.015 0.000 0.822 1154 A HN 0.710 nan 8.150 nan 0.000 0.443 1155 S N 1.415 117.120 115.700 0.007 0.000 3.116 1155 S HA -0.096 4.374 4.470 -0.000 0.000 0.373 1155 S C -0.410 174.218 174.600 0.047 0.000 1.193 1155 S CA 0.223 58.443 58.200 0.034 0.000 0.972 1155 S CB -0.284 62.943 63.200 0.046 0.000 0.671 1155 S HN 0.477 nan 8.310 nan 0.000 0.488 1156 D N 2.019 122.454 120.400 0.059 0.000 2.443 1156 D HA 0.295 4.935 4.640 -0.000 0.000 0.239 1156 D C 0.455 176.834 176.300 0.132 0.000 1.136 1156 D CA 0.540 54.581 54.000 0.067 0.000 0.879 1156 D CB 0.701 41.525 40.800 0.040 0.000 1.195 1156 D HN 0.888 nan 8.370 nan 0.000 0.443 1157 A N 3.272 126.147 122.820 0.092 0.000 2.544 1157 A HA 0.131 4.451 4.320 -0.000 0.000 0.301 1157 A C -0.303 177.383 177.584 0.169 0.000 1.368 1157 A CA -0.285 51.816 52.037 0.106 0.000 1.045 1157 A CB -0.668 18.338 19.000 0.011 0.000 1.129 1157 A HN 0.414 nan 8.150 nan 0.000 0.540 1158 F N 3.398 123.414 119.950 0.110 0.000 2.384 1158 F HA 0.469 4.996 4.527 -0.000 0.000 0.338 1158 F C 0.743 176.634 175.800 0.151 0.000 1.103 1158 F CA -0.669 57.418 58.000 0.144 0.000 1.157 1158 F CB 0.829 40.002 39.000 0.289 0.000 1.167 1158 F HN 0.497 nan 8.300 nan 0.000 0.529 1159 R N 5.719 125.765 120.500 -0.757 0.000 2.255 1159 R HA 0.587 4.927 4.340 -0.000 0.000 0.326 1159 R C -1.883 173.937 176.300 -0.800 0.000 0.986 1159 R CA -0.272 55.530 56.100 -0.495 0.000 0.847 1159 R CB 0.791 30.937 30.300 -0.256 0.000 1.111 1159 R HN 0.599 nan 8.270 nan 0.000 0.452 1160 V N 4.069 123.712 119.914 -0.452 0.000 3.074 1160 V HA 0.483 4.603 4.120 -0.000 0.000 0.314 1160 V C -0.236 175.600 176.094 -0.429 0.000 1.117 1160 V CA -0.923 61.201 62.300 -0.293 0.000 1.014 1160 V CB 2.378 34.227 31.823 0.042 0.000 1.057 1160 V HN 0.734 nan 8.190 nan 0.000 0.438 1161 H N 2.019 121.090 119.070 0.003 0.000 2.529 1161 H HA 0.702 5.258 4.556 -0.000 0.000 0.348 1161 H C -1.033 174.294 175.328 -0.003 0.000 1.152 1161 H CA -0.428 55.604 56.048 -0.026 0.000 1.202 1161 H CB 2.507 32.260 29.762 -0.015 0.000 1.562 1161 H HN 0.399 nan 8.280 nan 0.000 0.515 1162 I N 1.294 121.919 120.570 0.092 0.000 2.686 1162 I HA 0.062 4.232 4.170 -0.000 0.000 0.295 1162 I C 0.142 176.307 176.117 0.079 0.000 1.114 1162 I CA -0.760 60.576 61.300 0.061 0.000 1.038 1162 I CB 2.630 40.640 38.000 0.017 0.000 1.238 1162 I HN 0.554 nan 8.210 nan 0.000 0.420 1163 C N 3.945 123.280 119.300 0.058 0.000 2.652 1163 C HA 0.375 4.835 4.460 -0.000 0.000 0.412 1163 C C 1.729 176.808 174.990 0.149 0.000 1.294 1163 C CA 0.184 59.247 59.018 0.074 0.000 2.127 1163 C CB 0.271 28.045 27.740 0.056 0.000 2.691 1163 C HN 1.028 nan 8.230 nan 0.000 0.615 1164 G N 3.515 112.431 108.800 0.193 0.000 2.777 1164 G HA2 0.094 4.054 3.960 -0.000 0.000 0.211 1164 G HA3 0.094 4.054 3.960 -0.000 0.000 0.211 1164 G C 1.096 176.166 174.900 0.282 0.000 1.149 1164 G CA 0.409 45.704 45.100 0.325 0.000 0.785 1164 G HN 0.814 nan 8.290 nan 0.000 0.536 1165 I N 0.553 121.243 120.570 0.200 0.000 2.499 1165 I HA 0.082 4.252 4.170 -0.000 0.000 0.243 1165 I C 1.195 177.464 176.117 0.253 0.000 1.085 1165 I CA 0.232 61.636 61.300 0.173 0.000 1.422 1165 I CB -0.073 37.984 38.000 0.095 0.000 1.165 1165 I HN 0.243 nan 8.210 nan 0.000 0.440 1166 C N 0.881 120.278 119.300 0.161 0.000 2.319 1166 C HA 0.691 5.151 4.460 -0.000 0.000 0.335 1166 C C 1.272 176.228 174.990 -0.056 0.000 1.274 1166 C CA -0.896 58.175 59.018 0.089 0.000 1.806 1166 C CB 0.178 27.937 27.740 0.032 0.000 2.329 1166 C HN 0.551 nan 8.230 nan 0.000 0.524 1167 G N 3.434 112.004 108.800 -0.384 0.000 3.375 1167 G HA2 0.355 4.315 3.960 -0.000 0.000 0.247 1167 G HA3 0.355 4.315 3.960 -0.000 0.000 0.247 1167 G C 0.083 174.776 174.900 -0.345 0.000 1.343 1167 G CA -0.198 44.525 45.100 -0.628 0.000 1.368 1167 G HN 0.786 nan 8.290 nan 0.000 0.549 1168 L N -0.705 120.411 121.223 -0.179 0.000 2.352 1168 L HA 0.440 4.780 4.340 -0.000 0.000 0.269 1168 L C 1.033 177.874 176.870 -0.048 0.000 1.034 1168 L CA -0.876 53.894 54.840 -0.118 0.000 0.806 1168 L CB 1.638 43.655 42.059 -0.071 0.000 1.244 1168 L HN 0.058 nan 8.230 nan 0.000 0.447 1169 M N 1.261 120.850 119.600 -0.018 0.000 3.376 1169 M HA 0.080 4.560 4.480 -0.000 0.000 0.218 1169 M C 0.349 176.689 176.300 0.067 0.000 1.295 1169 M CA -0.007 55.320 55.300 0.045 0.000 1.386 1169 M CB -0.762 31.884 32.600 0.077 0.000 1.205 1169 M HN 0.638 nan 8.290 nan 0.000 0.496 1170 T N -2.707 111.878 114.554 0.051 0.000 3.258 1170 T HA 0.326 4.676 4.350 -0.000 0.000 0.263 1170 T C 0.116 174.858 174.700 0.071 0.000 0.983 1170 T CA -0.392 61.742 62.100 0.056 0.000 0.907 1170 T CB -0.298 68.591 68.868 0.036 0.000 1.096 1170 T HN 0.133 nan 8.240 nan 0.000 0.556 1171 V N 2.304 122.277 119.914 0.098 0.000 2.383 1171 V HA 0.407 4.527 4.120 -0.000 0.000 0.275 1171 V C 0.296 176.460 176.094 0.118 0.000 1.036 1171 V CA -0.980 61.386 62.300 0.110 0.000 0.889 1171 V CB 1.096 32.998 31.823 0.131 0.000 0.985 1171 V HN 0.580 nan 8.190 nan 0.000 0.459 1172 I N 4.801 125.427 120.570 0.094 0.000 2.337 1172 I HA 0.463 4.633 4.170 -0.000 0.000 0.291 1172 I C 0.571 176.722 176.117 0.057 0.000 1.046 1172 I CA 0.004 61.347 61.300 0.071 0.000 1.324 1172 I CB 1.188 39.214 38.000 0.044 0.000 1.409 1172 I HN 0.674 nan 8.210 nan 0.000 0.494 1173 A N 7.225 130.060 122.820 0.024 0.000 2.258 1173 A HA 0.511 4.830 4.320 -0.000 0.000 0.316 1173 A C -0.258 177.260 177.584 -0.110 0.000 1.279 1173 A CA -0.708 51.290 52.037 -0.064 0.000 0.876 1173 A CB 0.313 19.175 19.000 -0.231 0.000 1.170 1173 A HN 0.713 nan 8.150 nan 0.000 0.520 1174 K N 3.929 124.189 120.400 -0.234 0.000 2.432 1174 K HA 0.314 4.634 4.320 -0.000 0.000 0.226 1174 K C 0.379 176.831 176.600 -0.247 0.000 1.057 1174 K CA -0.229 55.979 56.287 -0.131 0.000 1.034 1174 K CB 0.761 33.251 32.500 -0.016 0.000 1.561 1174 K HN 0.725 nan 8.250 nan 0.000 0.492 1175 L N 0.653 121.769 121.223 -0.180 0.000 2.187 1175 L HA -0.233 4.107 4.340 -0.000 0.000 0.213 1175 L C 1.478 178.250 176.870 -0.164 0.000 1.100 1175 L CA 0.971 55.725 54.840 -0.144 0.000 0.765 1175 L CB -0.357 41.696 42.059 -0.009 0.000 0.904 1175 L HN 0.573 nan 8.230 nan 0.000 0.437 1176 N N -1.032 117.523 118.700 -0.242 0.000 2.333 1176 N HA -0.092 4.648 4.740 -0.000 0.000 0.178 1176 N C 1.599 176.887 175.510 -0.370 0.000 1.018 1176 N CA 0.950 53.802 53.050 -0.330 0.000 0.882 1176 N CB -0.072 38.137 38.487 -0.463 0.000 0.984 1176 N HN 0.481 nan 8.380 nan 0.000 0.434 1177 H N 0.685 119.676 119.070 -0.131 0.000 2.539 1177 H HA 0.199 4.755 4.556 -0.000 0.000 0.269 1177 H C 0.127 175.338 175.328 -0.197 0.000 0.980 1177 H CA -0.003 55.962 56.048 -0.137 0.000 1.152 1177 H CB 0.210 29.892 29.762 -0.132 0.000 1.407 1177 H HN 0.106 nan 8.280 nan 0.000 0.564 1178 N N 1.583 120.158 118.700 -0.209 0.000 2.735 1178 N HA -0.192 4.548 4.740 -0.000 0.000 0.248 1178 N C -0.585 174.612 175.510 -0.520 0.000 1.083 1178 N CA 0.590 53.433 53.050 -0.346 0.000 0.703 1178 N CB -1.155 37.261 38.487 -0.118 0.000 1.005 1178 N HN 0.589 nan 8.380 nan 0.000 0.550 1179 Q N -0.167 119.274 119.800 -0.598 0.000 2.333 1179 Q HA 0.529 4.868 4.340 -0.000 0.000 0.265 1179 Q C -0.748 174.870 176.000 -0.636 0.000 0.989 1179 Q CA -0.182 55.345 55.803 -0.459 0.000 0.842 1179 Q CB 0.864 29.480 28.738 -0.205 0.000 1.262 1179 Q HN 0.156 nan 8.270 nan 0.000 0.451 1180 F N 1.124 121.039 119.950 -0.057 0.000 2.493 1180 F HA 0.453 4.980 4.527 -0.000 0.000 0.329 1180 F C 0.190 175.960 175.800 -0.049 0.000 1.126 1180 F CA -0.726 57.227 58.000 -0.079 0.000 0.937 1180 F CB 1.904 40.843 39.000 -0.101 0.000 1.146 1180 F HN 0.324 nan 8.300 nan 0.000 0.442 1181 E N 1.810 122.085 120.200 0.124 0.000 2.290 1181 E HA 0.354 4.704 4.350 -0.000 0.000 0.274 1181 E C -1.657 174.982 176.600 0.065 0.000 0.889 1181 E CA -0.680 55.763 56.400 0.072 0.000 0.760 1181 E CB 2.593 32.312 29.700 0.032 0.000 1.206 1181 E HN 0.680 nan 8.360 nan 0.000 0.419 1182 C N 5.688 125.020 119.300 0.053 0.000 2.816 1182 C HA 0.314 4.774 4.460 -0.000 0.000 0.255 1182 C C 0.173 175.184 174.990 0.035 0.000 1.141 1182 C CA -0.724 58.321 59.018 0.046 0.000 1.554 1182 C CB -1.082 26.686 27.740 0.046 0.000 1.778 1182 C HN 0.601 nan 8.230 nan 0.000 0.429 1183 K N 1.427 121.845 120.400 0.030 0.000 2.339 1183 K HA 0.275 4.595 4.320 -0.000 0.000 0.260 1183 K C 1.417 178.031 176.600 0.023 0.000 0.989 1183 K CA 1.480 57.781 56.287 0.023 0.000 0.888 1183 K CB 0.245 32.756 32.500 0.019 0.000 0.983 1183 K HN 1.162 nan 8.250 nan 0.000 0.515 1184 G N -0.174 108.638 108.800 0.020 0.000 2.267 1184 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.257 1184 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.257 1184 G C 0.920 175.833 174.900 0.022 0.000 0.998 1184 G CA 0.368 45.480 45.100 0.019 0.000 0.620 1184 G HN 0.589 nan 8.290 nan 0.000 0.529 1185 C N -0.047 119.268 119.300 0.025 0.000 3.730 1185 C HA 0.419 4.879 4.460 -0.000 0.000 0.397 1185 C C 0.737 175.742 174.990 0.025 0.000 1.468 1185 C CA 0.421 59.456 59.018 0.028 0.000 1.931 1185 C CB 0.032 27.793 27.740 0.035 0.000 2.773 1185 C HN 0.636 nan 8.230 nan 0.000 0.692 1186 D N 2.397 122.810 120.400 0.022 0.000 2.760 1186 D HA -0.116 4.524 4.640 -0.000 0.000 0.244 1186 D C -0.759 175.554 176.300 0.021 0.000 1.123 1186 D CA 0.775 54.787 54.000 0.019 0.000 0.719 1186 D CB -1.107 39.702 40.800 0.016 0.000 1.045 1186 D HN 0.511 nan 8.370 nan 0.000 0.426 1187 N N 0.390 119.105 118.700 0.026 0.000 2.321 1187 N HA 0.338 5.077 4.740 -0.000 0.000 0.299 1187 N C 1.009 176.541 175.510 0.037 0.000 1.048 1187 N CA -0.298 52.768 53.050 0.026 0.000 0.836 1187 N CB 1.791 40.295 38.487 0.027 0.000 1.269 1187 N HN 0.100 nan 8.380 nan 0.000 0.486 1188 K N 1.240 121.661 120.400 0.034 0.000 2.611 1188 K HA 0.346 4.666 4.320 -0.000 0.000 0.209 1188 K C 1.040 177.674 176.600 0.057 0.000 1.658 1188 K CA 0.018 56.345 56.287 0.067 0.000 1.080 1188 K CB 1.054 33.585 32.500 0.051 0.000 1.430 1188 K HN 0.333 nan 8.250 nan 0.000 0.596 1189 I N 0.914 121.486 120.570 0.004 0.000 2.947 1189 I HA -0.020 4.150 4.170 -0.000 0.000 0.263 1189 I C 0.305 176.350 176.117 -0.120 0.000 1.130 1189 I CA 0.445 61.725 61.300 -0.034 0.000 1.448 1189 I CB 0.523 38.510 38.000 -0.022 0.000 1.222 1189 I HN 0.028 nan 8.210 nan 0.000 0.453 1190 D N 2.436 122.775 120.400 -0.103 0.000 2.545 1190 D HA 0.302 4.942 4.640 -0.000 0.000 0.227 1190 D C -0.487 175.682 176.300 -0.218 0.000 1.150 1190 D CA 0.452 54.359 54.000 -0.156 0.000 1.046 1190 D CB -0.353 40.427 40.800 -0.033 0.000 1.098 1190 D HN 0.105 nan 8.370 nan 0.000 0.502 1191 I N 1.967 122.266 120.570 -0.451 0.000 2.894 1191 I HA 0.373 4.543 4.170 -0.000 0.000 0.302 1191 I C -0.892 174.796 176.117 -0.715 0.000 1.188 1191 I CA -1.025 60.031 61.300 -0.407 0.000 1.014 1191 I CB 1.751 39.572 38.000 -0.298 0.000 1.242 1191 I HN 0.070 nan 8.210 nan 0.000 0.430 1192 Y N 1.586 121.817 120.300 -0.115 0.000 2.698 1192 Y HA 0.584 5.134 4.550 -0.000 0.000 0.332 1192 Y C -0.453 175.368 175.900 -0.131 0.000 1.119 1192 Y CA -0.757 57.270 58.100 -0.121 0.000 1.109 1192 Y CB 1.609 40.017 38.460 -0.086 0.000 1.308 1192 Y HN 0.448 nan 8.280 nan 0.000 0.499 1193 Q N 2.144 121.958 119.800 0.022 0.000 2.389 1193 Q HA 0.799 5.139 4.340 -0.000 0.000 0.277 1193 Q C -1.815 174.046 176.000 -0.231 0.000 1.082 1193 Q CA -0.879 54.827 55.803 -0.163 0.000 0.810 1193 Q CB 2.933 31.554 28.738 -0.195 0.000 1.374 1193 Q HN 0.764 nan 8.270 nan 0.000 0.422 1194 I N -0.935 119.448 120.570 -0.311 0.000 2.913 1194 I HA 0.521 4.691 4.170 -0.000 0.000 0.302 1194 I C -1.440 174.479 176.117 -0.331 0.000 1.246 1194 I CA -1.124 59.975 61.300 -0.335 0.000 1.010 1194 I CB 2.443 40.353 38.000 -0.149 0.000 1.259 1194 I HN 0.640 nan 8.210 nan 0.000 0.434 1195 H N 5.950 124.992 119.070 -0.046 0.000 2.476 1195 H HA 0.732 5.288 4.556 -0.000 0.000 0.328 1195 H C -0.515 174.827 175.328 0.023 0.000 1.073 1195 H CA -0.551 55.480 56.048 -0.029 0.000 1.229 1195 H CB 1.839 31.585 29.762 -0.027 0.000 1.432 1195 H HN 0.731 nan 8.280 nan 0.000 0.477 1196 I N 0.031 120.709 120.570 0.180 0.000 2.802 1196 I HA 0.468 4.638 4.170 -0.000 0.000 0.298 1196 I C -2.892 173.322 176.117 0.162 0.000 1.176 1196 I CA -2.713 58.673 61.300 0.144 0.000 1.025 1196 I CB 3.079 41.163 38.000 0.140 0.000 1.243 1196 I HN 0.161 nan 8.210 nan 0.000 0.424 1197 P HA -0.123 nan 4.420 nan 0.000 0.262 1197 P C 0.054 177.415 177.300 0.102 0.000 1.182 1197 P CA 0.376 63.533 63.100 0.095 0.000 0.761 1197 P CB 0.508 32.223 31.700 0.026 0.000 0.795 1198 Y N 4.284 124.603 120.300 0.031 0.000 2.241 1198 Y HA -0.261 4.289 4.550 -0.000 0.000 0.286 1198 Y C 2.500 178.337 175.900 -0.104 0.000 1.166 1198 Y CA 2.288 60.356 58.100 -0.052 0.000 1.203 1198 Y CB -0.880 37.510 38.460 -0.117 0.000 0.977 1198 Y HN 0.498 nan 8.280 nan 0.000 0.529 1199 A N -0.278 122.497 122.820 -0.075 0.000 2.019 1199 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 1199 A C 2.400 179.812 177.584 -0.287 0.000 1.164 1199 A CA 1.666 53.607 52.037 -0.159 0.000 0.644 1199 A CB -1.224 17.723 19.000 -0.088 0.000 0.805 1199 A HN 0.549 nan 8.150 nan 0.000 0.449 1200 A N -0.042 122.597 122.820 -0.303 0.000 1.854 1200 A HA -0.083 4.237 4.320 -0.000 0.000 0.214 1200 A C 2.113 179.362 177.584 -0.559 0.000 1.192 1200 A CA 1.700 53.425 52.037 -0.520 0.000 0.611 1200 A CB -0.517 18.264 19.000 -0.365 0.000 0.832 1200 A HN 0.490 nan 8.150 nan 0.000 0.442 1201 K N -0.055 120.157 120.400 -0.313 0.000 2.059 1201 K HA -0.207 4.113 4.320 -0.000 0.000 0.212 1201 K C 1.920 178.341 176.600 -0.298 0.000 1.050 1201 K CA 1.944 58.102 56.287 -0.215 0.000 0.927 1201 K CB -0.429 31.859 32.500 -0.353 0.000 0.714 1201 K HN 0.497 nan 8.250 nan 0.000 0.447 1202 L N 0.633 121.566 121.223 -0.484 0.000 1.994 1202 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 1202 L C 2.671 179.414 176.870 -0.212 0.000 1.071 1202 L CA 0.769 55.401 54.840 -0.347 0.000 0.745 1202 L CB -0.660 41.188 42.059 -0.351 0.000 0.892 1202 L HN 0.270 nan 8.230 nan 0.000 0.431 1203 L N -0.292 120.764 121.223 -0.278 0.000 2.043 1203 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 1203 L C 2.310 179.126 176.870 -0.091 0.000 1.075 1203 L CA 1.895 56.594 54.840 -0.234 0.000 0.752 1203 L CB -0.643 41.187 42.059 -0.381 0.000 0.891 1203 L HN 0.049 nan 8.230 nan 0.000 0.432 1204 F N -0.761 119.138 119.950 -0.086 0.000 2.128 1204 F HA -0.189 4.338 4.527 -0.000 0.000 0.295 1204 F C 2.600 178.362 175.800 -0.064 0.000 1.100 1204 F CA 0.938 58.896 58.000 -0.069 0.000 1.260 1204 F CB -0.281 38.678 39.000 -0.069 0.000 1.009 1204 F HN 0.147 nan 8.300 nan 0.000 0.476 1205 Q N 0.350 120.219 119.800 0.115 0.000 2.170 1205 Q HA -0.205 4.135 4.340 -0.000 0.000 0.203 1205 Q C 1.841 177.856 176.000 0.025 0.000 0.976 1205 Q CA 1.320 57.150 55.803 0.045 0.000 0.858 1205 Q CB -0.258 28.479 28.738 -0.003 0.000 0.907 1205 Q HN 0.556 nan 8.270 nan 0.000 0.433 1206 E N 0.480 120.686 120.200 0.010 0.000 2.150 1206 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 1206 E C 1.991 178.605 176.600 0.022 0.000 0.985 1206 E CA 0.594 56.996 56.400 0.002 0.000 0.814 1206 E CB 0.040 29.728 29.700 -0.021 0.000 0.752 1206 E HN 0.355 nan 8.360 nan 0.000 0.466 1207 L N 0.132 121.386 121.223 0.053 0.000 2.109 1207 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 1207 L C 2.476 179.366 176.870 0.032 0.000 1.086 1207 L CA 0.818 55.690 54.840 0.054 0.000 0.760 1207 L CB -0.265 41.852 42.059 0.098 0.000 0.910 1207 L HN 0.215 nan 8.230 nan 0.000 0.437 1208 M N -0.578 119.042 119.600 0.032 0.000 2.229 1208 M HA -0.137 4.343 4.480 -0.000 0.000 0.264 1208 M C 2.464 178.772 176.300 0.013 0.000 1.063 1208 M CA 1.612 56.921 55.300 0.015 0.000 1.114 1208 M CB -0.414 32.196 32.600 0.015 0.000 1.387 1208 M HN 0.279 nan 8.290 nan 0.000 0.420 1209 A N 0.131 122.960 122.820 0.014 0.000 1.972 1209 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 1209 A C 1.881 179.470 177.584 0.009 0.000 1.169 1209 A CA 1.197 53.240 52.037 0.010 0.000 0.635 1209 A CB -0.473 18.531 19.000 0.007 0.000 0.810 1209 A HN 0.478 nan 8.150 nan 0.000 0.446 1210 M N -0.454 119.152 119.600 0.011 0.000 2.631 1210 M HA 0.141 4.621 4.480 -0.000 0.000 0.241 1210 M C 0.282 176.587 176.300 0.009 0.000 1.255 1210 M CA -0.068 55.238 55.300 0.010 0.000 0.983 1210 M CB -0.319 32.288 32.600 0.011 0.000 1.580 1210 M HN 0.504 nan 8.290 nan 0.000 0.464 1211 N N 1.154 119.859 118.700 0.008 0.000 2.778 1211 N HA -0.170 4.570 4.740 -0.000 0.000 0.249 1211 N C -0.593 174.919 175.510 0.004 0.000 1.069 1211 N CA 0.739 53.792 53.050 0.006 0.000 0.831 1211 N CB -0.588 37.903 38.487 0.006 0.000 1.142 1211 N HN 0.425 nan 8.380 nan 0.000 0.573 1212 I N 1.375 121.948 120.570 0.005 0.000 2.392 1212 I HA 0.160 4.330 4.170 -0.000 0.000 0.295 1212 I C 0.741 176.851 176.117 -0.012 0.000 0.985 1212 I CA -0.439 60.861 61.300 0.000 0.000 1.221 1212 I CB 1.749 39.754 38.000 0.009 0.000 1.366 1212 I HN -0.013 nan 8.210 nan 0.000 0.467 1213 T N 3.245 117.782 114.554 -0.028 0.000 2.801 1213 T HA 0.440 4.790 4.350 -0.000 0.000 0.306 1213 T C -2.171 172.465 174.700 -0.107 0.000 1.020 1213 T CA -1.677 60.387 62.100 -0.060 0.000 0.948 1213 T CB 0.924 69.761 68.868 -0.052 0.000 0.962 1213 T HN 0.395 nan 8.240 nan 0.000 0.465 1214 P HA 0.281 nan 4.420 nan 0.000 0.226 1214 P C -0.333 176.716 177.300 -0.418 0.000 1.832 1214 P CA -0.719 62.196 63.100 -0.309 0.000 1.092 1214 P CB 0.325 31.758 31.700 -0.445 0.000 1.873 1215 R N 2.699 122.994 120.500 -0.341 0.000 2.446 1215 R HA 0.201 4.541 4.340 -0.000 0.000 0.314 1215 R C 0.327 176.260 176.300 -0.613 0.000 1.003 1215 R CA -0.036 55.762 56.100 -0.503 0.000 1.018 1215 R CB 0.171 30.185 30.300 -0.476 0.000 0.945 1215 R HN 0.510 nan 8.270 nan 0.000 0.419 1216 L N 5.248 126.087 121.223 -0.640 0.000 2.257 1216 L HA 0.393 4.733 4.340 -0.000 0.000 0.290 1216 L C -0.274 176.283 176.870 -0.521 0.000 1.044 1216 L CA -0.477 54.079 54.840 -0.472 0.000 0.810 1216 L CB 0.373 42.230 42.059 -0.337 0.000 1.193 1216 L HN 0.454 nan 8.230 nan 0.000 0.425 1217 Y N 0.274 120.497 120.300 -0.128 0.000 2.429 1217 Y HA 0.168 4.718 4.550 -0.000 0.000 0.342 1217 Y C 1.368 177.168 175.900 -0.167 0.000 1.004 1217 Y CA -0.802 57.217 58.100 -0.135 0.000 1.075 1217 Y CB 2.326 40.714 38.460 -0.120 0.000 1.214 1217 Y HN 0.630 nan 8.280 nan 0.000 0.455 1218 T N -3.415 111.115 114.554 -0.039 0.000 3.081 1218 T HA 0.065 4.415 4.350 -0.000 0.000 0.255 1218 T C -0.176 174.432 174.700 -0.153 0.000 1.113 1218 T CA 0.122 62.104 62.100 -0.198 0.000 1.082 1218 T CB -0.040 68.521 68.868 -0.511 0.000 0.939 1218 T HN 0.415 nan 8.240 nan 0.000 0.506 1219 D N 1.221 121.556 120.400 -0.108 0.000 2.256 1219 D HA 0.341 4.981 4.640 -0.000 0.000 0.240 1219 D C 0.693 176.940 176.300 -0.090 0.000 1.062 1219 D CA -0.578 53.357 54.000 -0.108 0.000 0.832 1219 D CB 2.452 43.176 40.800 -0.127 0.000 1.135 1219 D HN 0.074 nan 8.370 nan 0.000 0.484 1220 R N 1.190 121.647 120.500 -0.073 0.000 2.075 1220 R HA -0.057 4.283 4.340 -0.000 0.000 0.226 1220 R C 0.634 176.883 176.300 -0.086 0.000 1.114 1220 R CA 0.456 56.517 56.100 -0.064 0.000 0.972 1220 R CB 0.154 30.428 30.300 -0.044 0.000 0.869 1220 R HN 0.460 nan 8.270 nan 0.000 0.437 1221 S N 1.597 117.250 115.700 -0.078 0.000 2.457 1221 S HA 0.132 4.602 4.470 -0.000 0.000 0.294 1221 S C -0.127 174.397 174.600 -0.127 0.000 1.201 1221 S CA -0.711 57.444 58.200 -0.074 0.000 1.112 1221 S CB 0.602 63.778 63.200 -0.040 0.000 1.018 1221 S HN 0.213 nan 8.310 nan 0.000 0.511 1222 R N 2.062 122.448 120.500 -0.190 0.000 3.271 1222 R HA 0.123 4.463 4.340 -0.000 0.000 0.245 1222 R C 0.164 176.350 176.300 -0.190 0.000 1.112 1222 R CA -0.309 55.602 56.100 -0.316 0.000 1.102 1222 R CB 0.023 29.941 30.300 -0.638 0.000 0.928 1222 R HN 0.564 nan 8.270 nan 0.000 0.497 1223 D N -0.065 120.225 120.400 -0.184 0.000 2.413 1223 D HA 0.117 4.757 4.640 -0.000 0.000 0.237 1223 D C -0.242 176.250 176.300 0.321 0.000 1.171 1223 D CA 0.481 54.498 54.000 0.029 0.000 0.839 1223 D CB -0.090 40.726 40.800 0.027 0.000 0.950 1223 D HN 0.203 nan 8.370 nan 0.000 0.499 1224 F N 0.000 119.921 119.950 -0.048 0.000 2.286 1224 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1224 F CA 0.000 57.980 58.000 -0.034 0.000 1.383 1224 F CB 0.000 38.982 39.000 -0.030 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574