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 3fki_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE ILXXXXXXXX XXXXXXXXXX ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKXXXXX XXXXXXXXXX XXXXXXXXXX XXXXKVFIGR DATA SEQUENCE LPIMLRSKNC YLSEATESDL YKLKECPFDM GGYFIINGSE KVLIAQERSA DATA SEQUENCE GNIVQVFKKA APSPISHVAE IRSALEKGSR FISTLQVKLY GREGSSARTI DATA SEQUENCE KATLPYIKQD IPIVIIFRAL GIIPDGEILE HICYDVNDWQ MLEMLKPCVE DATA SEQUENCE DGFVIQDRET ALDFIGRXXX XXXXXXEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEEA HDFNMKLAIN AKTITSGLKY ALATGNWGEQ DATA SEQUENCE KKAMSSRAGV SQVLNRYTYS STLSHLRRTN TPIGRDGKLA KPRQLHNTHW DATA SEQUENCE GLVCPAETPE GQACGLVKNL SLMSCISVGT DPMPIITFLS EWGMEPLEDY DATA SEQUENCE VPHQSPDATR VFVNGVWHGV HRNPARLMET LRTLRRKGDI NPEVSMIRDI DATA SEQUENCE REKELKIFTD AGRVYRPLFI VEDDESLGHK ELKVRKGHIA KLMATEYQDI DATA SEQUENCE XXXXXXXXEY TWSSLLNEGL VEYIDAEEEE SILIAMQPED LEPAEANXXX DATA SEQUENCE DLDVDPAKRI RVSHHATTFT HCEIHPSMIL GVAASIIPFP DHNQSPRNTY DATA SEQUENCE QSAMGKQAMG VFLTNYNVRM DTMANILYYP QKPLGTTRAM EYLKFRELPA DATA SEQUENCE GQNAIVAIAC YSGYNQEDSM IMNQSSIDRG LFRSLFFRSY MDQEKKYGMS DATA SEQUENCE ITETFEKPQR TNTLRMKHGT YDKLDDDGLI APGVRVSGED VIIGKTTPIS DATA SEQUENCE XXXXXXXXXX XXXSKRDAST PLRSTENGIV DQVLVTTNQD GLKFVKVRVR DATA SEQUENCE TTKIPQIGDK FASRHGQKGT IGITYRREDM PFTAEGIVPD LIINPHAIPS DATA SEQUENCE RMTVAHLIEC LLSKVAALSG NEGDASPFTD ITVEGISKLL REHGYQSRGF DATA SEQUENCE EVMYNGHTGK KLMAQIFFGP TYYQRLRHMV DDKIHARARG PMQVLTRQPV DATA SEQUENCE EGRSRDGGLR FGEMERDCMI AHGAASFLKE RLMEASDAFR VHICGICGLM DATA SEQUENCE TVIAKLNHNQ FECKGCDNKI DIYQIHIPYA AKLLFQELMA MNITPRLYTD DATA SEQUENCE RSRDF 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 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.283 176.300 -0.028 0.000 2.045 20 D CA 0.000 53.987 54.000 -0.021 0.000 0.868 20 D CB 0.000 40.788 40.800 -0.021 0.000 0.688 21 E N 0.844 121.023 120.200 -0.035 0.000 2.476 21 E HA 0.159 4.511 4.350 0.002 0.000 0.193 21 E C 0.037 176.606 176.600 -0.052 0.000 0.966 21 E CA 0.429 56.800 56.400 -0.048 0.000 1.114 21 E CB 0.582 30.249 29.700 -0.056 0.000 1.151 21 E HN -0.065 nan 8.360 nan 0.000 0.487 22 S N 1.695 117.367 115.700 -0.046 0.000 4.120 22 S HA 0.492 4.963 4.470 0.002 0.000 0.196 22 S C -0.049 174.532 174.600 -0.033 0.000 1.447 22 S CA -0.109 58.068 58.200 -0.039 0.000 0.939 22 S CB 0.290 63.469 63.200 -0.035 0.000 1.496 22 S HN 0.385 nan 8.310 nan 0.000 0.460 23 A N 3.102 125.904 122.820 -0.030 0.000 2.295 23 A HA 0.777 5.098 4.320 0.002 0.000 0.318 23 A C -2.524 175.039 177.584 -0.036 0.000 1.134 23 A CA -1.983 50.037 52.037 -0.029 0.000 0.827 23 A CB 0.086 19.073 19.000 -0.021 0.000 1.136 23 A HN 0.307 nan 8.150 nan 0.000 0.493 24 P HA 0.226 nan 4.420 nan 0.000 0.269 24 P C -0.839 176.430 177.300 -0.051 0.000 1.217 24 P CA 0.260 63.324 63.100 -0.059 0.000 0.783 24 P CB 0.307 31.974 31.700 -0.054 0.000 0.898 25 I N 0.522 121.046 120.570 -0.078 0.000 2.336 25 I HA 0.221 4.393 4.170 0.002 0.000 0.292 25 I C 0.962 177.053 176.117 -0.043 0.000 0.991 25 I CA -0.459 60.801 61.300 -0.066 0.000 1.227 25 I CB 1.506 39.428 38.000 -0.130 0.000 1.366 25 I HN 0.245 nan 8.210 nan 0.000 0.466 26 T N 3.932 118.488 114.554 0.003 0.000 2.913 26 T HA 0.374 4.725 4.350 0.002 0.000 0.287 26 T C 1.230 175.971 174.700 0.067 0.000 1.008 26 T CA -0.070 62.049 62.100 0.033 0.000 1.067 26 T CB 1.484 70.384 68.868 0.054 0.000 0.996 26 T HN 0.711 nan 8.240 nan 0.000 0.513 27 A N 2.448 125.322 122.820 0.090 0.000 2.076 27 A HA -0.061 4.260 4.320 0.002 0.000 0.220 27 A C 2.045 179.779 177.584 0.251 0.000 1.160 27 A CA 2.195 54.318 52.037 0.143 0.000 0.653 27 A CB -0.836 18.254 19.000 0.151 0.000 0.801 27 A HN 0.935 nan 8.150 nan 0.000 0.455 28 E N 0.824 121.172 120.200 0.248 0.000 2.072 28 E HA -0.177 4.174 4.350 0.002 0.000 0.191 28 E C 1.222 178.009 176.600 0.312 0.000 0.985 28 E CA 1.714 58.301 56.400 0.313 0.000 0.801 28 E CB -0.275 29.549 29.700 0.207 0.000 0.750 28 E HN 0.540 nan 8.360 nan 0.000 0.452 29 D N -0.295 120.230 120.400 0.208 0.000 2.178 29 D HA -0.118 4.524 4.640 0.002 0.000 0.202 29 D C 1.944 178.377 176.300 0.223 0.000 0.974 29 D CA 1.417 55.530 54.000 0.189 0.000 0.841 29 D CB -0.442 40.428 40.800 0.117 0.000 0.953 29 D HN 0.335 nan 8.370 nan 0.000 0.478 30 S N -0.733 115.085 115.700 0.196 0.000 2.469 30 S HA -0.166 4.305 4.470 0.002 0.000 0.238 30 S C 1.893 176.600 174.600 0.179 0.000 0.998 30 S CA 0.276 58.596 58.200 0.201 0.000 0.957 30 S CB -0.870 62.433 63.200 0.172 0.000 0.764 30 S HN 0.380 nan 8.310 nan 0.000 0.514 31 W N 1.759 123.202 121.300 0.238 0.000 2.465 31 W HA 0.246 4.907 4.660 0.002 0.000 0.268 31 W C 2.716 179.387 176.519 0.254 0.000 1.242 31 W CA 0.357 57.834 57.345 0.221 0.000 1.248 31 W CB -0.214 29.344 29.460 0.164 0.000 1.118 31 W HN 0.431 nan 8.180 nan 0.000 0.587 32 A N -0.373 122.710 122.820 0.438 0.000 2.014 32 A HA -0.100 4.222 4.320 0.002 0.000 0.218 32 A C 1.890 179.686 177.584 0.354 0.000 1.163 32 A CA 1.635 53.892 52.037 0.367 0.000 0.652 32 A CB -0.795 18.381 19.000 0.293 0.000 0.808 32 A HN 0.101 nan 8.150 nan 0.000 0.449 33 V N 0.100 120.220 119.914 0.343 0.000 2.379 33 V HA -0.217 3.904 4.120 0.002 0.000 0.245 33 V C 2.336 178.621 176.094 0.318 0.000 1.044 33 V CA 1.829 64.345 62.300 0.359 0.000 1.036 33 V CB -0.711 31.343 31.823 0.385 0.000 0.664 33 V HN 0.565 nan 8.190 nan 0.000 0.453 34 I N 0.351 121.054 120.570 0.221 0.000 2.361 34 I HA -0.194 3.978 4.170 0.002 0.000 0.251 34 I C 2.535 178.727 176.117 0.125 0.000 1.133 34 I CA 1.333 62.689 61.300 0.092 0.000 1.413 34 I CB -0.377 37.677 38.000 0.091 0.000 1.073 34 I HN 0.239 nan 8.210 nan 0.000 0.424 35 S N 0.853 116.742 115.700 0.315 0.000 2.382 35 S HA -0.164 4.308 4.470 0.002 0.000 0.228 35 S C 2.226 177.017 174.600 0.317 0.000 1.027 35 S CA 1.385 59.835 58.200 0.416 0.000 0.991 35 S CB -0.312 63.186 63.200 0.496 0.000 0.823 35 S HN 0.566 nan 8.310 nan 0.000 0.469 36 A N 0.606 123.606 122.820 0.300 0.000 2.014 36 A HA 0.074 4.395 4.320 0.002 0.000 0.218 36 A C 1.802 179.491 177.584 0.175 0.000 1.163 36 A CA 0.771 52.977 52.037 0.282 0.000 0.652 36 A CB -0.692 18.526 19.000 0.362 0.000 0.808 36 A HN 0.492 nan 8.150 nan 0.000 0.449 37 F N -0.056 119.800 119.950 -0.157 0.000 2.069 37 F HA -0.175 4.354 4.527 0.002 0.000 0.298 37 F C 1.766 177.195 175.800 -0.618 0.000 1.113 37 F CA 1.896 59.428 58.000 -0.779 0.000 1.214 37 F CB -0.409 37.917 39.000 -1.122 0.000 0.978 37 F HN 0.209 nan 8.300 nan 0.000 0.474 38 F N 0.482 120.277 119.950 -0.258 0.000 2.451 38 F HA -0.014 4.514 4.527 0.002 0.000 0.299 38 F C 2.369 178.076 175.800 -0.155 0.000 1.101 38 F CA 0.825 58.680 58.000 -0.241 0.000 1.436 38 F CB -0.483 38.474 39.000 -0.072 0.000 1.074 38 F HN -0.134 nan 8.300 nan 0.000 0.553 39 R N 0.012 120.550 120.500 0.064 0.000 2.075 39 R HA -0.166 4.175 4.340 0.002 0.000 0.232 39 R C 2.036 178.331 176.300 -0.008 0.000 1.126 39 R CA 1.666 57.810 56.100 0.073 0.000 0.963 39 R CB -0.294 30.077 30.300 0.118 0.000 0.858 39 R HN 0.353 nan 8.270 nan 0.000 0.435 40 E N 0.061 120.198 120.200 -0.105 0.000 2.127 40 E HA -0.045 4.307 4.350 0.002 0.000 0.191 40 E C 1.518 177.989 176.600 -0.214 0.000 0.964 40 E CA 0.382 56.719 56.400 -0.106 0.000 0.832 40 E CB 0.440 30.127 29.700 -0.021 0.000 0.790 40 E HN 0.047 nan 8.360 nan 0.000 0.465 41 K N -0.165 119.943 120.400 -0.486 0.000 1.997 41 K HA 0.084 4.406 4.320 0.002 0.000 0.212 41 K C 0.763 177.188 176.600 -0.292 0.000 1.033 41 K CA 1.161 57.123 56.287 -0.541 0.000 0.950 41 K CB -0.370 31.422 32.500 -1.180 0.000 0.751 41 K HN 0.238 nan 8.250 nan 0.000 0.444 42 G N 1.548 110.203 108.800 -0.241 0.000 2.851 42 G HA2 -0.129 3.832 3.960 0.002 0.000 0.272 42 G HA3 -0.129 3.832 3.960 0.002 0.000 0.272 42 G C 0.292 175.264 174.900 0.119 0.000 1.100 42 G CA 0.091 45.230 45.100 0.064 0.000 1.197 42 G HN 0.188 nan 8.290 nan 0.000 0.561 43 L N -1.494 119.900 121.223 0.285 0.000 3.492 43 L HA -0.437 3.904 4.340 0.002 0.000 0.053 43 L C 3.083 180.006 176.870 0.088 0.000 4.364 43 L CA 4.180 59.173 54.840 0.254 0.000 0.630 43 L CB -1.820 40.368 42.059 0.216 0.000 3.505 43 L HN 1.531 nan 8.230 nan 0.000 0.720 44 V N -2.031 117.914 119.914 0.051 0.000 2.720 44 V HA -0.184 3.937 4.120 0.002 0.000 0.256 44 V C 2.334 178.416 176.094 -0.021 0.000 1.082 44 V CA 1.875 64.180 62.300 0.009 0.000 1.101 44 V CB -0.840 30.986 31.823 0.004 0.000 0.693 44 V HN 0.864 nan 8.190 nan 0.000 0.479 45 S N 2.833 118.510 115.700 -0.039 0.000 2.557 45 S HA -0.571 3.900 4.470 0.002 0.000 0.344 45 S C 1.854 176.423 174.600 -0.051 0.000 1.291 45 S CA 2.983 61.138 58.200 -0.074 0.000 1.306 45 S CB -1.623 61.482 63.200 -0.158 0.000 1.335 45 S HN 0.907 nan 8.310 nan 0.000 0.466 46 Q N 1.046 120.810 119.800 -0.061 0.000 2.135 46 Q HA -0.063 4.279 4.340 0.002 0.000 0.204 46 Q C 2.187 178.182 176.000 -0.008 0.000 0.981 46 Q CA 1.818 57.593 55.803 -0.048 0.000 0.856 46 Q CB -0.697 27.991 28.738 -0.084 0.000 0.902 46 Q HN 0.687 nan 8.270 nan 0.000 0.425 47 Q N 0.383 120.179 119.800 -0.007 0.000 2.050 47 Q HA -0.020 4.321 4.340 0.002 0.000 0.202 47 Q C 2.262 178.286 176.000 0.039 0.000 0.980 47 Q CA 1.354 57.166 55.803 0.015 0.000 0.840 47 Q CB -0.176 28.556 28.738 -0.009 0.000 0.898 47 Q HN 0.511 nan 8.270 nan 0.000 0.424 48 L N 0.757 121.986 121.223 0.011 0.000 2.056 48 L HA -0.196 4.145 4.340 0.002 0.000 0.207 48 L C 1.988 178.924 176.870 0.111 0.000 1.078 48 L CA 1.060 55.921 54.840 0.036 0.000 0.749 48 L CB -0.487 41.569 42.059 -0.005 0.000 0.901 48 L HN 0.095 nan 8.230 nan 0.000 0.433 49 D N -0.674 119.769 120.400 0.071 0.000 2.144 49 D HA -0.171 4.470 4.640 0.002 0.000 0.200 49 D C 2.374 178.736 176.300 0.103 0.000 0.978 49 D CA 1.497 55.542 54.000 0.075 0.000 0.833 49 D CB -0.011 40.814 40.800 0.041 0.000 0.961 49 D HN 0.139 nan 8.370 nan 0.000 0.470 50 S N -0.490 115.278 115.700 0.113 0.000 2.402 50 S HA -0.143 4.328 4.470 0.002 0.000 0.229 50 S C 1.725 176.445 174.600 0.200 0.000 1.021 50 S CA 0.456 58.731 58.200 0.126 0.000 0.974 50 S CB -0.300 62.960 63.200 0.101 0.000 0.800 50 S HN 0.208 nan 8.310 nan 0.000 0.484 51 F N 2.661 122.672 119.950 0.102 0.000 2.206 51 F HA 0.069 4.597 4.527 0.002 0.000 0.298 51 F C 2.014 177.935 175.800 0.202 0.000 1.090 51 F CA 1.250 59.349 58.000 0.166 0.000 1.323 51 F CB -0.394 38.688 39.000 0.136 0.000 1.028 51 F HN 0.216 nan 8.300 nan 0.000 0.492 52 N N 0.362 119.177 118.700 0.191 0.000 2.142 52 N HA -0.201 4.540 4.740 0.002 0.000 0.186 52 N C 1.783 177.320 175.510 0.044 0.000 1.023 52 N CA 1.283 54.388 53.050 0.091 0.000 0.852 52 N CB -0.561 37.998 38.487 0.120 0.000 0.998 52 N HN 0.355 nan 8.380 nan 0.000 0.424 53 Q N -0.117 119.725 119.800 0.071 0.000 2.297 53 Q HA 0.032 4.373 4.340 0.002 0.000 0.204 53 Q C 1.666 177.705 176.000 0.065 0.000 0.962 53 Q CA 0.604 56.446 55.803 0.066 0.000 0.879 53 Q CB -0.278 28.464 28.738 0.007 0.000 0.947 53 Q HN 0.364 nan 8.270 nan 0.000 0.462 54 F N -0.992 118.886 119.950 -0.120 0.000 2.113 54 F HA -0.132 4.396 4.527 0.002 0.000 0.297 54 F C 1.545 177.184 175.800 -0.268 0.000 1.103 54 F CA 1.292 59.177 58.000 -0.191 0.000 1.248 54 F CB -0.297 38.562 39.000 -0.236 0.000 0.999 54 F HN -0.066 nan 8.300 nan 0.000 0.475 55 V N 0.550 120.179 119.914 -0.475 0.000 2.302 55 V HA -0.221 3.900 4.120 0.002 0.000 0.243 55 V C 1.943 177.809 176.094 -0.381 0.000 1.036 55 V CA 2.123 64.087 62.300 -0.560 0.000 1.020 55 V CB -0.773 30.812 31.823 -0.396 0.000 0.657 55 V HN 0.208 nan 8.190 nan 0.000 0.453 56 D N -1.359 118.924 120.400 -0.196 0.000 2.144 56 D HA -0.107 4.534 4.640 0.002 0.000 0.200 56 D C 1.763 177.890 176.300 -0.288 0.000 0.978 56 D CA 1.588 55.487 54.000 -0.168 0.000 0.833 56 D CB -0.052 40.754 40.800 0.010 0.000 0.961 56 D HN 0.568 nan 8.370 nan 0.000 0.470 57 Y N -0.680 119.492 120.300 -0.214 0.000 2.697 57 Y HA 0.108 4.659 4.550 0.002 0.000 0.268 57 Y C 2.455 178.216 175.900 -0.231 0.000 1.092 57 Y CA 0.632 58.624 58.100 -0.179 0.000 1.304 57 Y CB -0.295 38.098 38.460 -0.112 0.000 1.446 57 Y HN -0.177 nan 8.280 nan 0.000 0.491 58 T N 1.146 115.639 114.554 -0.102 0.000 2.821 58 T HA -0.156 4.195 4.350 0.002 0.000 0.267 58 T C 1.881 176.344 174.700 -0.395 0.000 1.046 58 T CA 1.297 63.286 62.100 -0.185 0.000 1.139 58 T CB -0.540 68.273 68.868 -0.091 0.000 0.871 58 T HN 0.069 nan 8.240 nan 0.000 0.454 59 L N 1.125 121.931 121.223 -0.694 0.000 2.083 59 L HA -0.078 4.263 4.340 0.002 0.000 0.209 59 L C 2.558 179.107 176.870 -0.535 0.000 1.083 59 L CA 1.703 56.032 54.840 -0.851 0.000 0.752 59 L CB -0.547 40.900 42.059 -1.020 0.000 0.899 59 L HN 0.138 nan 8.230 nan 0.000 0.433 60 Q N -0.757 118.808 119.800 -0.393 0.000 2.123 60 Q HA -0.168 4.174 4.340 0.002 0.000 0.199 60 Q C 1.747 177.626 176.000 -0.202 0.000 0.966 60 Q CA 1.753 57.385 55.803 -0.284 0.000 0.845 60 Q CB -0.129 28.454 28.738 -0.258 0.000 0.907 60 Q HN 0.503 nan 8.270 nan 0.000 0.439 61 D N -0.365 119.933 120.400 -0.170 0.000 2.224 61 D HA -0.058 4.584 4.640 0.002 0.000 0.205 61 D C 1.669 177.921 176.300 -0.080 0.000 0.965 61 D CA 0.823 54.767 54.000 -0.093 0.000 0.852 61 D CB 0.096 40.865 40.800 -0.052 0.000 0.947 61 D HN 0.375 nan 8.370 nan 0.000 0.494 62 I N 0.344 120.838 120.570 -0.128 0.000 2.439 62 I HA -0.165 4.007 4.170 0.002 0.000 0.251 62 I C 2.117 178.171 176.117 -0.105 0.000 1.139 62 I CA 0.373 61.629 61.300 -0.073 0.000 1.438 62 I CB 0.108 38.075 38.000 -0.055 0.000 1.085 62 I HN -0.115 nan 8.210 nan 0.000 0.427 63 I N -0.185 120.247 120.570 -0.231 0.000 3.176 63 I HA -0.129 4.042 4.170 0.002 0.000 0.275 63 I C 0.310 176.413 176.117 -0.023 0.000 1.298 63 I CA 0.820 61.938 61.300 -0.304 0.000 1.445 63 I CB -0.022 37.749 38.000 -0.381 0.000 1.075 63 I HN 0.209 nan 8.210 nan 0.000 0.482 64 C N 1.553 120.857 119.300 0.007 0.000 2.647 64 C HA 0.399 4.860 4.460 0.002 0.000 0.273 64 C C 0.938 175.970 174.990 0.069 0.000 1.088 64 C CA -0.372 58.685 59.018 0.065 0.000 1.529 64 C CB -0.876 26.879 27.740 0.025 0.000 1.810 64 C HN 0.622 nan 8.230 nan 0.000 0.422 65 E N 0.774 121.042 120.200 0.112 0.000 3.091 65 E HA 0.009 4.361 4.350 0.002 0.000 0.264 65 E C -0.287 176.378 176.600 0.107 0.000 1.170 65 E CA 0.023 56.478 56.400 0.091 0.000 1.898 65 E CB -0.206 29.538 29.700 0.073 0.000 2.460 65 E HN 0.457 nan 8.360 nan 0.000 1.009 66 D N 2.220 122.710 120.400 0.149 0.000 2.788 66 D HA 0.075 4.717 4.640 0.002 0.000 0.289 66 D C 0.275 176.691 176.300 0.192 0.000 1.340 66 D CA -0.117 53.967 54.000 0.140 0.000 0.831 66 D CB 0.532 41.397 40.800 0.108 0.000 1.103 66 D HN 0.102 nan 8.370 nan 0.000 0.476 67 S N -0.975 114.877 115.700 0.253 0.000 2.552 67 S HA 0.257 4.728 4.470 0.002 0.000 0.246 67 S C 0.077 174.793 174.600 0.194 0.000 1.019 67 S CA -0.388 58.051 58.200 0.398 0.000 1.045 67 S CB -0.208 63.370 63.200 0.629 0.000 0.784 67 S HN 0.088 nan 8.310 nan 0.000 0.453 68 T N 3.206 117.815 114.554 0.091 0.000 2.841 68 T HA 0.602 4.954 4.350 0.002 0.000 0.285 68 T C -0.837 173.849 174.700 -0.022 0.000 0.991 68 T CA -0.685 61.410 62.100 -0.009 0.000 0.966 68 T CB 1.313 70.188 68.868 0.011 0.000 0.962 68 T HN 0.105 nan 8.240 nan 0.000 0.438 69 L N 2.683 123.831 121.223 -0.126 0.000 2.319 69 L HA 0.631 4.973 4.340 0.002 0.000 0.267 69 L C -0.023 176.722 176.870 -0.209 0.000 1.011 69 L CA -1.147 53.575 54.840 -0.196 0.000 0.818 69 L CB 1.226 43.057 42.059 -0.381 0.000 1.316 69 L HN 0.602 nan 8.230 nan 0.000 0.432 70 I N 1.887 122.319 120.570 -0.231 0.000 2.471 70 I HA 0.107 4.278 4.170 0.002 0.000 0.286 70 I C 0.521 176.510 176.117 -0.213 0.000 1.079 70 I CA 0.183 61.394 61.300 -0.148 0.000 1.398 70 I CB 0.351 38.335 38.000 -0.027 0.000 1.403 70 I HN 0.287 nan 8.210 nan 0.000 0.530 91 S N 4.406 119.879 115.700 -0.380 0.000 2.677 91 S HA 0.839 5.310 4.470 0.002 0.000 0.304 91 S C -0.948 173.382 174.600 -0.450 0.000 1.108 91 S CA -0.765 57.216 58.200 -0.364 0.000 0.944 91 S CB 2.029 65.148 63.200 -0.135 0.000 1.127 91 S HN 0.318 nan 8.310 nan 0.000 0.511 92 F N 0.044 120.017 119.950 0.039 0.000 2.480 92 F HA 0.719 5.248 4.527 0.002 0.000 0.329 92 F C 1.140 176.947 175.800 0.011 0.000 1.091 92 F CA -0.431 57.595 58.000 0.043 0.000 0.972 92 F CB 2.037 41.094 39.000 0.096 0.000 1.150 92 F HN 0.960 nan 8.300 nan 0.000 0.467 93 G N 1.183 110.100 108.800 0.196 0.000 3.134 93 G HA2 0.278 4.240 3.960 0.002 0.000 0.158 93 G HA3 0.278 4.240 3.960 0.002 0.000 0.158 93 G C -1.039 173.853 174.900 -0.014 0.000 1.334 93 G CA -0.701 44.438 45.100 0.065 0.000 1.001 93 G HN 0.478 nan 8.290 nan 0.000 0.600 94 K N 0.023 120.361 120.400 -0.102 0.000 2.326 94 K HA 0.341 4.663 4.320 0.002 0.000 0.275 94 K C -0.740 175.651 176.600 -0.347 0.000 1.018 94 K CA -0.264 55.875 56.287 -0.246 0.000 0.962 94 K CB 0.840 33.145 32.500 -0.325 0.000 0.953 94 K HN 0.309 nan 8.250 nan 0.000 0.475 95 I N 4.379 124.733 120.570 -0.359 0.000 2.359 95 I HA 0.222 4.393 4.170 0.002 0.000 0.294 95 I C -1.277 174.626 176.117 -0.357 0.000 0.987 95 I CA -0.781 60.342 61.300 -0.296 0.000 1.225 95 I CB 0.532 38.397 38.000 -0.226 0.000 1.366 95 I HN 0.586 nan 8.210 nan 0.000 0.466 96 Y N 5.738 126.055 120.300 0.030 0.000 2.361 96 Y HA 0.539 5.090 4.550 0.002 0.000 0.332 96 Y C -0.127 175.815 175.900 0.071 0.000 1.101 96 Y CA -0.670 57.446 58.100 0.027 0.000 1.137 96 Y CB 1.837 40.316 38.460 0.032 0.000 1.207 96 Y HN 0.277 nan 8.280 nan 0.000 0.463 97 V N 3.978 123.998 119.914 0.177 0.000 2.487 97 V HA 0.493 4.614 4.120 0.002 0.000 0.298 97 V C -0.184 175.967 176.094 0.095 0.000 1.028 97 V CA -0.404 61.974 62.300 0.130 0.000 0.860 97 V CB 1.458 33.297 31.823 0.026 0.000 0.991 97 V HN 0.961 nan 8.190 nan 0.000 0.427 98 T N 4.118 118.745 114.554 0.122 0.000 2.852 98 T HA 0.532 4.884 4.350 0.002 0.000 0.281 98 T C -0.087 174.606 174.700 -0.012 0.000 0.993 98 T CA -0.682 61.440 62.100 0.037 0.000 0.933 98 T CB 0.905 69.804 68.868 0.051 0.000 1.187 98 T HN 0.673 nan 8.240 nan 0.000 0.559 99 K N 1.279 121.633 120.400 -0.078 0.000 2.143 99 K HA 0.394 4.715 4.320 0.002 0.000 0.272 99 K C -2.667 173.895 176.600 -0.065 0.000 1.001 99 K CA -2.141 54.037 56.287 -0.182 0.000 0.915 99 K CB 0.658 32.909 32.500 -0.416 0.000 1.047 99 K HN 0.357 nan 8.250 nan 0.000 0.458 100 P HA -0.141 nan 4.420 nan 0.000 0.255 100 P C -0.887 176.392 177.300 -0.034 0.000 1.151 100 P CA 1.213 64.225 63.100 -0.147 0.000 0.767 100 P CB 0.330 31.711 31.700 -0.532 0.000 0.736 101 M N 2.031 121.625 119.600 -0.010 0.000 2.631 101 M HA 0.428 4.909 4.480 0.002 0.000 0.288 101 M C -1.013 175.308 176.300 0.036 0.000 1.260 101 M CA -1.104 54.207 55.300 0.018 0.000 0.842 101 M CB 2.690 35.307 32.600 0.028 0.000 1.743 101 M HN -0.174 nan 8.290 nan 0.000 0.461 102 V N 1.654 121.602 119.914 0.056 0.000 2.407 102 V HA 0.332 4.453 4.120 0.002 0.000 0.291 102 V C -0.873 175.244 176.094 0.037 0.000 1.018 102 V CA -0.706 61.628 62.300 0.056 0.000 0.842 102 V CB 1.519 33.386 31.823 0.074 0.000 0.996 102 V HN 0.809 nan 8.190 nan 0.000 0.426 103 N N 3.911 122.617 118.700 0.011 0.000 2.949 103 N HA 0.287 5.028 4.740 0.002 0.000 0.243 103 N C -0.027 175.482 175.510 -0.002 0.000 1.113 103 N CA -0.459 52.583 53.050 -0.014 0.000 0.980 103 N CB 0.643 39.088 38.487 -0.071 0.000 1.256 103 N HN 0.873 nan 8.380 nan 0.000 0.508 104 E N -0.036 120.169 120.200 0.009 0.000 2.280 104 E HA 0.386 4.737 4.350 0.002 0.000 0.264 104 E C -0.341 176.263 176.600 0.006 0.000 1.064 104 E CA -1.052 55.353 56.400 0.009 0.000 0.900 104 E CB 0.809 30.515 29.700 0.010 0.000 1.123 104 E HN 0.235 nan 8.360 nan 0.000 0.418 105 S N 1.085 116.789 115.700 0.007 0.000 2.585 105 S HA 0.116 4.588 4.470 0.002 0.000 0.273 105 S C 0.187 174.793 174.600 0.009 0.000 1.339 105 S CA 0.065 58.269 58.200 0.007 0.000 1.028 105 S CB 0.698 63.903 63.200 0.008 0.000 0.906 105 S HN 0.830 nan 8.310 nan 0.000 0.528 106 D N 0.191 120.597 120.400 0.010 0.000 3.177 106 D HA -0.158 4.484 4.640 0.002 0.000 0.179 106 D C 0.787 177.094 176.300 0.013 0.000 1.613 106 D CA 2.392 56.399 54.000 0.011 0.000 2.105 106 D CB -1.619 39.189 40.800 0.012 0.000 1.351 106 D HN 0.859 nan 8.370 nan 0.000 0.417 107 G N 0.005 108.813 108.800 0.014 0.000 2.563 107 G HA2 0.483 4.445 3.960 0.002 0.000 0.283 107 G HA3 0.483 4.445 3.960 0.002 0.000 0.283 107 G C 1.082 175.995 174.900 0.022 0.000 1.309 107 G CA 0.321 45.433 45.100 0.020 0.000 1.022 107 G HN 0.174 nan 8.290 nan 0.000 0.501 108 V N -0.884 119.049 119.914 0.033 0.000 5.409 108 V HA 0.436 4.557 4.120 0.002 0.000 0.160 108 V C 0.661 176.774 176.094 0.032 0.000 1.399 108 V CA 0.236 62.552 62.300 0.027 0.000 1.277 108 V CB 0.055 31.895 31.823 0.028 0.000 1.731 108 V HN 0.634 nan 8.190 nan 0.000 0.376 109 T N 0.342 114.921 114.554 0.041 0.000 2.965 109 T HA 0.424 4.775 4.350 0.002 0.000 0.306 109 T C -1.138 173.605 174.700 0.070 0.000 0.991 109 T CA -0.186 61.939 62.100 0.043 0.000 1.001 109 T CB 0.628 69.500 68.868 0.006 0.000 0.984 109 T HN 0.578 nan 8.240 nan 0.000 0.446 110 H N 2.265 121.336 119.070 0.002 0.000 2.527 110 H HA 0.618 5.176 4.556 0.002 0.000 0.321 110 H C 0.249 175.571 175.328 -0.009 0.000 1.087 110 H CA -0.299 55.754 56.048 0.007 0.000 1.337 110 H CB 0.838 30.610 29.762 0.018 0.000 1.440 110 H HN 0.804 nan 8.280 nan 0.000 0.490 111 A N 6.011 128.598 122.820 -0.388 0.000 2.475 111 A HA 0.200 4.521 4.320 0.002 0.000 0.293 111 A C -0.292 177.074 177.584 -0.364 0.000 1.252 111 A CA -0.367 51.486 52.037 -0.306 0.000 0.920 111 A CB -0.909 17.929 19.000 -0.269 0.000 1.125 111 A HN 0.650 nan 8.150 nan 0.000 0.528 112 L N 3.206 124.285 121.223 -0.239 0.000 2.452 112 L HA 0.504 4.845 4.340 0.002 0.000 0.267 112 L C -0.628 175.961 176.870 -0.470 0.000 1.188 112 L CA 0.549 55.320 54.840 -0.115 0.000 0.821 112 L CB 0.176 42.223 42.059 -0.020 0.000 1.102 112 L HN 0.608 nan 8.230 nan 0.000 0.470 113 Y N 3.223 123.544 120.300 0.035 0.000 2.581 113 Y HA 0.387 4.938 4.550 0.002 0.000 0.345 113 Y C -1.757 174.273 175.900 0.218 0.000 1.036 113 Y CA -1.402 56.743 58.100 0.075 0.000 1.042 113 Y CB 1.275 39.700 38.460 -0.058 0.000 1.289 113 Y HN 0.490 nan 8.280 nan 0.000 0.471 114 P HA -0.244 nan 4.420 nan 0.000 0.214 114 P C 1.275 178.632 177.300 0.095 0.000 1.169 114 P CA 1.801 64.918 63.100 0.028 0.000 0.908 114 P CB 0.355 32.014 31.700 -0.068 0.000 0.791 115 Q N -0.579 119.281 119.800 0.100 0.000 2.297 115 Q HA -0.148 4.194 4.340 0.002 0.000 0.204 115 Q C 2.023 178.084 176.000 0.101 0.000 0.962 115 Q CA 1.285 57.135 55.803 0.079 0.000 0.879 115 Q CB -0.735 28.028 28.738 0.041 0.000 0.947 115 Q HN 0.131 nan 8.270 nan 0.000 0.462 116 E N -0.974 119.313 120.200 0.145 0.000 2.204 116 E HA -0.105 4.246 4.350 0.002 0.000 0.195 116 E C 1.352 178.034 176.600 0.137 0.000 0.990 116 E CA 1.267 57.755 56.400 0.146 0.000 0.821 116 E CB -0.100 29.733 29.700 0.221 0.000 0.750 116 E HN 0.417 nan 8.360 nan 0.000 0.477 117 A N -0.031 122.888 122.820 0.165 0.000 1.924 117 A HA 0.106 4.427 4.320 0.002 0.000 0.211 117 A C 2.069 179.727 177.584 0.123 0.000 1.198 117 A CA 0.592 52.723 52.037 0.158 0.000 0.657 117 A CB -0.117 19.026 19.000 0.238 0.000 0.852 117 A HN 0.088 nan 8.150 nan 0.000 0.454 118 R N -0.210 120.359 120.500 0.114 0.000 2.096 118 R HA -0.027 4.315 4.340 0.002 0.000 0.235 118 R C 1.805 178.168 176.300 0.105 0.000 1.127 118 R CA 1.460 57.617 56.100 0.095 0.000 0.968 118 R CB -0.446 29.900 30.300 0.077 0.000 0.861 118 R HN 0.487 nan 8.270 nan 0.000 0.440 119 L N -0.199 121.093 121.223 0.114 0.000 2.217 119 L HA -0.067 4.275 4.340 0.002 0.000 0.211 119 L C 1.965 178.977 176.870 0.237 0.000 1.107 119 L CA 1.062 55.992 54.840 0.149 0.000 0.783 119 L CB -0.149 41.976 42.059 0.109 0.000 0.919 119 L HN 0.066 nan 8.230 nan 0.000 0.442 120 R N -0.100 120.496 120.500 0.160 0.000 2.317 120 R HA 0.077 4.419 4.340 0.002 0.000 0.208 120 R C -0.101 176.160 176.300 -0.066 0.000 0.914 120 R CA -0.147 56.023 56.100 0.116 0.000 1.060 120 R CB -0.024 30.317 30.300 0.069 0.000 1.015 120 R HN 0.221 nan 8.270 nan 0.000 0.498 121 N N 1.061 119.745 118.700 -0.026 0.000 2.714 121 N HA -0.175 4.566 4.740 0.002 0.000 0.253 121 N C -1.096 174.375 175.510 -0.064 0.000 1.024 121 N CA 0.912 53.906 53.050 -0.094 0.000 0.726 121 N CB -1.089 37.219 38.487 -0.298 0.000 0.908 121 N HN 0.245 nan 8.380 nan 0.000 0.542 122 L N -0.788 120.444 121.223 0.015 0.000 2.286 122 L HA 0.546 4.887 4.340 0.002 0.000 0.265 122 L C 0.717 177.648 176.870 0.101 0.000 1.012 122 L CA -0.797 54.071 54.840 0.047 0.000 0.818 122 L CB 1.543 43.640 42.059 0.062 0.000 1.337 122 L HN -0.040 nan 8.230 nan 0.000 0.438 123 T N -0.724 113.899 114.554 0.116 0.000 2.799 123 T HA 0.165 4.517 4.350 0.002 0.000 0.286 123 T C -0.397 174.432 174.700 0.216 0.000 0.973 123 T CA -0.113 62.086 62.100 0.165 0.000 1.035 123 T CB 0.554 69.504 68.868 0.137 0.000 0.932 123 T HN 0.274 nan 8.240 nan 0.000 0.469 124 Y N 4.173 124.549 120.300 0.127 0.000 2.889 124 Y HA 0.256 4.808 4.550 0.002 0.000 0.367 124 Y C 0.698 176.691 175.900 0.154 0.000 1.197 124 Y CA -0.714 57.463 58.100 0.128 0.000 1.993 124 Y CB -0.937 37.589 38.460 0.110 0.000 2.112 124 Y HN 0.627 nan 8.280 nan 0.000 0.413 125 S N -0.132 115.609 115.700 0.067 0.000 2.578 125 S HA 0.767 5.238 4.470 0.002 0.000 0.301 125 S C -0.247 174.377 174.600 0.040 0.000 1.091 125 S CA -0.803 57.452 58.200 0.090 0.000 1.032 125 S CB 2.120 65.401 63.200 0.135 0.000 1.064 125 S HN 0.308 nan 8.310 nan 0.000 0.508 126 S N 0.167 115.923 115.700 0.094 0.000 2.709 126 S HA 0.815 5.287 4.470 0.002 0.000 0.302 126 S C 0.040 174.769 174.600 0.216 0.000 1.127 126 S CA -0.445 57.825 58.200 0.116 0.000 0.905 126 S CB 1.069 64.312 63.200 0.072 0.000 1.151 126 S HN 1.250 nan 8.310 nan 0.000 0.510 127 G N 1.090 110.076 108.800 0.311 0.000 2.372 127 G HA2 0.571 4.532 3.960 0.002 0.000 0.283 127 G HA3 0.571 4.532 3.960 0.002 0.000 0.283 127 G C -1.479 173.646 174.900 0.375 0.000 1.177 127 G CA -0.392 44.992 45.100 0.475 0.000 0.842 127 G HN 0.524 nan 8.290 nan 0.000 0.503 128 L N 1.663 122.954 121.223 0.115 0.000 2.287 128 L HA 0.468 4.810 4.340 0.002 0.000 0.287 128 L C -0.741 176.078 176.870 -0.086 0.000 1.022 128 L CA -0.253 54.626 54.840 0.065 0.000 0.814 128 L CB 1.277 43.324 42.059 -0.020 0.000 1.217 128 L HN 0.387 nan 8.230 nan 0.000 0.420 129 F N 3.034 123.049 119.950 0.108 0.000 2.403 129 F HA 0.550 5.078 4.527 0.002 0.000 0.355 129 F C -0.117 175.752 175.800 0.115 0.000 1.119 129 F CA -0.932 57.160 58.000 0.153 0.000 1.007 129 F CB 1.598 40.735 39.000 0.228 0.000 1.194 129 F HN 0.064 nan 8.300 nan 0.000 0.443 130 V N 2.331 122.343 119.914 0.163 0.000 2.427 130 V HA 0.224 4.345 4.120 0.002 0.000 0.286 130 V C -0.206 176.006 176.094 0.197 0.000 1.034 130 V CA -1.036 61.321 62.300 0.095 0.000 0.893 130 V CB 1.510 33.317 31.823 -0.026 0.000 0.982 130 V HN 0.488 nan 8.190 nan 0.000 0.452 131 D N 3.366 123.862 120.400 0.160 0.000 2.348 131 D HA 0.140 4.781 4.640 0.002 0.000 0.259 131 D C -0.115 176.314 176.300 0.215 0.000 1.296 131 D CA 0.262 54.374 54.000 0.187 0.000 0.931 131 D CB 1.299 42.174 40.800 0.125 0.000 1.067 131 D HN 0.278 nan 8.370 nan 0.000 0.503 132 V N 4.832 124.885 119.914 0.231 0.000 2.439 132 V HA -0.005 4.116 4.120 0.002 0.000 0.271 132 V C 0.969 177.105 176.094 0.070 0.000 1.040 132 V CA -0.407 62.004 62.300 0.185 0.000 1.002 132 V CB 0.669 32.602 31.823 0.184 0.000 1.000 132 V HN 0.161 nan 8.190 nan 0.000 0.477 133 K N 6.043 126.439 120.400 -0.006 0.000 2.378 133 K HA 0.145 4.467 4.320 0.002 0.000 0.288 133 K C 0.537 177.125 176.600 -0.020 0.000 1.057 133 K CA -0.043 56.241 56.287 -0.005 0.000 0.971 133 K CB 0.737 33.221 32.500 -0.028 0.000 0.975 133 K HN 0.803 nan 8.250 nan 0.000 0.475 165 V N 2.931 123.070 119.914 0.374 0.000 2.483 165 V HA 0.396 4.518 4.120 0.002 0.000 0.295 165 V C -0.491 175.665 176.094 0.103 0.000 1.035 165 V CA -0.750 61.708 62.300 0.262 0.000 0.896 165 V CB 1.159 33.088 31.823 0.176 0.000 0.986 165 V HN 0.213 nan 8.190 nan 0.000 0.447 166 F N 6.423 126.233 119.950 -0.234 0.000 2.445 166 F HA 0.630 5.159 4.527 0.002 0.000 0.359 166 F C -0.354 175.223 175.800 -0.372 0.000 1.101 166 F CA -0.549 57.015 58.000 -0.727 0.000 1.177 166 F CB 0.405 39.064 39.000 -0.568 0.000 1.110 166 F HN 0.324 nan 8.300 nan 0.000 0.522 167 I N 6.544 126.524 120.570 -0.984 0.000 2.476 167 I HA 0.573 4.745 4.170 0.002 0.000 0.281 167 I C 0.210 175.843 176.117 -0.806 0.000 1.040 167 I CA -0.194 60.652 61.300 -0.757 0.000 1.094 167 I CB 1.135 38.925 38.000 -0.351 0.000 1.219 167 I HN 0.946 nan 8.210 nan 0.000 0.450 168 G N 5.053 113.307 108.800 -0.910 0.000 2.860 168 G HA2 -0.175 3.786 3.960 0.002 0.000 0.553 168 G HA3 -0.175 3.786 3.960 0.002 0.000 0.553 168 G C -0.570 174.156 174.900 -0.290 0.000 1.439 168 G CA -0.799 44.020 45.100 -0.468 0.000 0.879 168 G HN 0.596 nan 8.290 nan 0.000 0.545 169 R N -0.944 119.538 120.500 -0.030 0.000 2.575 169 R HA 0.570 4.912 4.340 0.002 0.000 0.293 169 R C -0.883 175.495 176.300 0.130 0.000 0.983 169 R CA -0.938 55.227 56.100 0.108 0.000 0.887 169 R CB 1.980 32.380 30.300 0.167 0.000 1.184 169 R HN 0.626 nan 8.270 nan 0.000 0.445 170 L N 4.609 125.936 121.223 0.173 0.000 2.298 170 L HA 0.510 4.852 4.340 0.002 0.000 0.284 170 L C -2.538 174.491 176.870 0.264 0.000 1.013 170 L CA -2.075 52.901 54.840 0.228 0.000 0.824 170 L CB 1.432 43.647 42.059 0.260 0.000 1.221 170 L HN 0.398 nan 8.230 nan 0.000 0.418 171 P HA 0.188 nan 4.420 nan 0.000 0.267 171 P C -0.797 176.850 177.300 0.579 0.000 1.209 171 P CA 0.489 63.807 63.100 0.363 0.000 0.763 171 P CB 0.321 32.189 31.700 0.279 0.000 0.816 172 I N 3.474 124.343 120.570 0.498 0.000 2.392 172 I HA 0.329 4.501 4.170 0.002 0.000 0.295 172 I C 0.902 176.932 176.117 -0.145 0.000 0.985 172 I CA -1.031 60.506 61.300 0.394 0.000 1.221 172 I CB 1.300 39.510 38.000 0.351 0.000 1.366 172 I HN 0.274 nan 8.210 nan 0.000 0.467 173 M N 5.923 124.820 119.600 -1.172 0.000 2.239 173 M HA 0.193 4.674 4.480 0.002 0.000 0.348 173 M C -0.848 175.005 176.300 -0.744 0.000 1.239 173 M CA -0.289 54.073 55.300 -1.562 0.000 1.114 173 M CB 0.567 32.006 32.600 -1.935 0.000 1.641 173 M HN 0.365 nan 8.290 nan 0.000 0.453 174 L N 5.097 125.866 121.223 -0.757 0.000 2.461 174 L HA 0.172 4.513 4.340 0.002 0.000 0.272 174 L C 1.075 177.700 176.870 -0.408 0.000 1.197 174 L CA 0.593 55.090 54.840 -0.573 0.000 0.836 174 L CB 0.282 41.859 42.059 -0.803 0.000 1.105 174 L HN 0.899 nan 8.230 nan 0.000 0.477 175 R N -0.558 119.805 120.500 -0.228 0.000 3.951 175 R HA -0.181 4.161 4.340 0.002 0.000 0.352 175 R C 0.156 176.407 176.300 -0.082 0.000 1.178 175 R CA 0.974 56.994 56.100 -0.132 0.000 0.949 175 R CB -1.788 28.425 30.300 -0.145 0.000 1.452 175 R HN 0.918 nan 8.270 nan 0.000 0.540 176 S N -1.568 114.092 115.700 -0.067 0.000 2.666 176 S HA 0.351 4.822 4.470 0.002 0.000 0.279 176 S C 1.172 175.813 174.600 0.068 0.000 1.149 176 S CA -0.445 57.779 58.200 0.040 0.000 1.020 176 S CB 1.254 64.544 63.200 0.151 0.000 1.127 176 S HN 0.233 nan 8.310 nan 0.000 0.537 177 K N 0.287 120.752 120.400 0.107 0.000 2.097 177 K HA -0.067 4.255 4.320 0.002 0.000 0.206 177 K C 1.460 178.080 176.600 0.034 0.000 1.049 177 K CA 1.511 57.835 56.287 0.061 0.000 0.933 177 K CB -0.459 32.076 32.500 0.059 0.000 0.717 177 K HN 0.644 nan 8.250 nan 0.000 0.442 178 N N -0.247 118.502 118.700 0.081 0.000 2.383 178 N HA -0.016 4.726 4.740 0.002 0.000 0.192 178 N C -0.472 175.014 175.510 -0.040 0.000 1.141 178 N CA -0.322 52.743 53.050 0.025 0.000 0.851 178 N CB 0.356 38.907 38.487 0.106 0.000 0.976 178 N HN 0.089 nan 8.380 nan 0.000 0.465 179 C N -0.399 118.902 119.300 0.002 0.000 2.351 179 C HA 0.285 4.746 4.460 0.002 0.000 0.359 179 C C 1.430 176.400 174.990 -0.033 0.000 1.193 179 C CA -0.634 58.416 59.018 0.054 0.000 2.270 179 C CB -0.165 27.638 27.740 0.106 0.000 2.369 179 C HN 0.462 nan 8.230 nan 0.000 0.553 180 Y N 1.743 122.098 120.300 0.093 0.000 2.337 180 Y HA 0.062 4.614 4.550 0.002 0.000 0.293 180 Y C 2.017 177.977 175.900 0.100 0.000 1.123 180 Y CA 1.161 59.310 58.100 0.082 0.000 1.201 180 Y CB -0.245 38.265 38.460 0.082 0.000 1.011 180 Y HN 0.553 nan 8.280 nan 0.000 0.545 181 L N -0.418 120.945 121.223 0.233 0.000 2.376 181 L HA -0.116 4.225 4.340 0.002 0.000 0.219 181 L C 2.368 179.272 176.870 0.056 0.000 1.133 181 L CA 1.067 55.980 54.840 0.120 0.000 0.816 181 L CB -0.784 41.307 42.059 0.054 0.000 0.933 181 L HN 0.252 nan 8.230 nan 0.000 0.449 182 S N -0.120 115.607 115.700 0.046 0.000 2.419 182 S HA -0.192 4.279 4.470 0.002 0.000 0.235 182 S C 1.545 176.158 174.600 0.022 0.000 1.019 182 S CA 1.290 59.502 58.200 0.019 0.000 0.982 182 S CB -0.167 63.041 63.200 0.013 0.000 0.789 182 S HN 0.589 nan 8.310 nan 0.000 0.490 183 E N 0.759 120.980 120.200 0.036 0.000 2.465 183 E HA 0.438 4.790 4.350 0.002 0.000 0.209 183 E C 0.580 177.202 176.600 0.035 0.000 0.951 183 E CA 0.169 56.589 56.400 0.033 0.000 0.997 183 E CB 0.491 30.212 29.700 0.034 0.000 1.025 183 E HN 0.591 nan 8.360 nan 0.000 0.500 184 A N 1.997 124.845 122.820 0.047 0.000 2.425 184 A HA 0.283 4.604 4.320 0.002 0.000 0.249 184 A C 0.727 178.312 177.584 0.002 0.000 1.084 184 A CA -0.233 51.825 52.037 0.036 0.000 0.781 184 A CB 0.085 19.117 19.000 0.053 0.000 1.019 184 A HN 0.161 nan 8.150 nan 0.000 0.490 185 T N -0.094 114.457 114.554 -0.004 0.000 2.867 185 T HA 0.343 4.694 4.350 0.002 0.000 0.286 185 T C 0.879 175.552 174.700 -0.044 0.000 1.022 185 T CA -0.051 62.038 62.100 -0.019 0.000 0.933 185 T CB 0.354 69.220 68.868 -0.004 0.000 1.280 185 T HN 0.601 nan 8.240 nan 0.000 0.566 186 E N 1.134 121.307 120.200 -0.044 0.000 2.017 186 E HA -0.146 4.205 4.350 0.002 0.000 0.193 186 E C 2.564 179.200 176.600 0.059 0.000 0.997 186 E CA 1.846 58.211 56.400 -0.059 0.000 0.804 186 E CB -1.207 28.486 29.700 -0.011 0.000 0.757 186 E HN 0.802 nan 8.360 nan 0.000 0.448 187 S N 0.989 116.753 115.700 0.106 0.000 2.419 187 S HA -0.170 4.301 4.470 0.002 0.000 0.233 187 S C 1.701 176.351 174.600 0.083 0.000 1.016 187 S CA 1.543 59.824 58.200 0.135 0.000 0.974 187 S CB -0.188 63.041 63.200 0.049 0.000 0.786 187 S HN 0.088 nan 8.310 nan 0.000 0.492 188 D N 1.181 121.598 120.400 0.030 0.000 2.149 188 D HA 0.113 4.754 4.640 0.002 0.000 0.201 188 D C 1.813 178.100 176.300 -0.022 0.000 0.972 188 D CA 0.718 54.721 54.000 0.004 0.000 0.835 188 D CB -0.215 40.588 40.800 0.005 0.000 0.966 188 D HN 0.361 nan 8.370 nan 0.000 0.476 189 L N -0.665 120.520 121.223 -0.063 0.000 2.056 189 L HA -0.141 4.201 4.340 0.002 0.000 0.207 189 L C 1.937 178.720 176.870 -0.145 0.000 1.078 189 L CA 0.846 55.604 54.840 -0.137 0.000 0.749 189 L CB -0.390 41.523 42.059 -0.243 0.000 0.901 189 L HN 0.181 nan 8.230 nan 0.000 0.433 190 Y N -0.004 120.240 120.300 -0.095 0.000 2.241 190 Y HA -0.339 4.213 4.550 0.002 0.000 0.286 190 Y C 2.654 178.495 175.900 -0.098 0.000 1.166 190 Y CA 1.492 59.531 58.100 -0.101 0.000 1.203 190 Y CB -0.139 38.260 38.460 -0.102 0.000 0.977 190 Y HN 0.096 nan 8.280 nan 0.000 0.529 191 K N 0.814 121.244 120.400 0.050 0.000 2.211 191 K HA -0.097 4.225 4.320 0.002 0.000 0.203 191 K C 0.827 177.382 176.600 -0.075 0.000 1.050 191 K CA 0.959 57.235 56.287 -0.018 0.000 0.945 191 K CB -0.204 32.273 32.500 -0.039 0.000 0.732 191 K HN 0.392 nan 8.250 nan 0.000 0.451 192 L N -0.965 120.192 121.223 -0.110 0.000 2.912 192 L HA 0.360 4.701 4.340 0.002 0.000 0.240 192 L C -0.648 176.166 176.870 -0.093 0.000 1.262 192 L CA -0.542 54.202 54.840 -0.160 0.000 1.058 192 L CB -0.102 41.775 42.059 -0.304 0.000 1.383 192 L HN -0.056 nan 8.230 nan 0.000 0.512 193 K N -0.659 119.705 120.400 -0.060 0.000 3.071 193 K HA -0.168 4.153 4.320 0.002 0.000 0.265 193 K C -0.221 176.346 176.600 -0.056 0.000 1.060 193 K CA 0.830 57.090 56.287 -0.045 0.000 0.767 193 K CB -1.305 31.175 32.500 -0.033 0.000 1.241 193 K HN 0.532 nan 8.250 nan 0.000 0.486 194 E N 0.265 120.410 120.200 -0.092 0.000 2.212 194 E HA 0.210 4.561 4.350 0.002 0.000 0.268 194 E C -0.601 175.870 176.600 -0.215 0.000 0.902 194 E CA -0.768 55.564 56.400 -0.112 0.000 0.779 194 E CB 1.993 31.638 29.700 -0.091 0.000 1.172 194 E HN 0.289 nan 8.360 nan 0.000 0.409 195 C N 5.294 124.495 119.300 -0.166 0.000 2.585 195 C HA 0.247 4.709 4.460 0.002 0.000 0.406 195 C C -0.866 173.948 174.990 -0.293 0.000 1.312 195 C CA -1.577 57.309 59.018 -0.220 0.000 1.924 195 C CB -0.095 27.599 27.740 -0.078 0.000 2.578 195 C HN 0.565 nan 8.230 nan 0.000 0.580 196 P HA -0.057 nan 4.420 nan 0.000 0.223 196 P C 0.976 178.019 177.300 -0.429 0.000 1.151 196 P CA 1.539 64.307 63.100 -0.554 0.000 0.787 196 P CB -0.062 31.156 31.700 -0.803 0.000 0.788 197 F N -0.249 119.621 119.950 -0.133 0.000 2.789 197 F HA 0.095 4.623 4.527 0.002 0.000 0.300 197 F C 1.228 177.074 175.800 0.076 0.000 1.132 197 F CA -0.276 57.670 58.000 -0.091 0.000 1.404 197 F CB -0.208 38.609 39.000 -0.304 0.000 1.114 197 F HN -0.135 nan 8.300 nan 0.000 0.584 198 D N 1.124 121.638 120.400 0.189 0.000 2.371 198 D HA 0.005 4.646 4.640 0.002 0.000 0.256 198 D C 1.008 177.405 176.300 0.162 0.000 1.193 198 D CA 0.229 54.367 54.000 0.230 0.000 0.881 198 D CB 0.940 41.831 40.800 0.152 0.000 1.143 198 D HN 0.053 nan 8.370 nan 0.000 0.473 199 M N 2.376 122.093 119.600 0.194 0.000 2.510 199 M HA 0.149 4.630 4.480 0.002 0.000 0.256 199 M C 1.363 177.662 176.300 -0.002 0.000 1.132 199 M CA 0.340 55.702 55.300 0.103 0.000 1.105 199 M CB -0.920 31.752 32.600 0.121 0.000 1.375 199 M HN 0.646 nan 8.290 nan 0.000 0.477 200 G N 0.353 109.142 108.800 -0.017 0.000 2.593 200 G HA2 -0.046 3.915 3.960 0.002 0.000 0.237 200 G HA3 -0.046 3.915 3.960 0.002 0.000 0.237 200 G C 0.553 175.290 174.900 -0.270 0.000 1.312 200 G CA 0.092 44.976 45.100 -0.361 0.000 0.896 200 G HN 0.943 nan 8.290 nan 0.000 0.574 201 G N -3.136 105.395 108.800 -0.449 0.000 2.179 201 G HA2 0.181 4.143 3.960 0.002 0.000 0.220 201 G HA3 0.181 4.143 3.960 0.002 0.000 0.220 201 G C 0.420 175.157 174.900 -0.272 0.000 0.990 201 G CA 1.345 46.275 45.100 -0.284 0.000 0.646 201 G HN 2.313 nan 8.290 nan 0.000 0.517 202 Y N -0.976 119.154 120.300 -0.282 0.000 2.654 202 Y HA 0.873 5.425 4.550 0.002 0.000 0.328 202 Y C -0.149 175.486 175.900 -0.441 0.000 1.174 202 Y CA -2.670 55.308 58.100 -0.204 0.000 1.293 202 Y CB 0.728 39.149 38.460 -0.065 0.000 1.464 202 Y HN -0.014 nan 8.280 nan 0.000 0.559 203 F N 0.413 120.463 119.950 0.167 0.000 2.551 203 F HA 0.561 5.090 4.527 0.002 0.000 0.316 203 F C -0.767 175.128 175.800 0.159 0.000 1.089 203 F CA -1.004 57.043 58.000 0.080 0.000 0.915 203 F CB 1.888 40.920 39.000 0.053 0.000 1.186 203 F HN 0.259 nan 8.300 nan 0.000 0.456 204 I N 4.802 125.551 120.570 0.297 0.000 2.307 204 I HA 0.371 4.543 4.170 0.002 0.000 0.289 204 I C -1.051 175.207 176.117 0.235 0.000 1.021 204 I CA -0.318 61.121 61.300 0.232 0.000 1.224 204 I CB 0.685 38.786 38.000 0.169 0.000 1.376 204 I HN 0.329 nan 8.210 nan 0.000 0.470 205 I N 6.366 127.041 120.570 0.176 0.000 2.439 205 I HA 0.316 4.487 4.170 0.002 0.000 0.283 205 I C 0.096 176.268 176.117 0.091 0.000 1.023 205 I CA -0.451 60.931 61.300 0.135 0.000 1.100 205 I CB 1.118 39.184 38.000 0.111 0.000 1.238 205 I HN 0.431 nan 8.210 nan 0.000 0.445 206 N N 5.369 124.116 118.700 0.078 0.000 2.714 206 N HA -0.231 4.511 4.740 0.002 0.000 0.252 206 N C 0.809 176.337 175.510 0.029 0.000 1.014 206 N CA 1.374 54.447 53.050 0.037 0.000 0.735 206 N CB -0.629 37.873 38.487 0.025 0.000 0.924 206 N HN 1.212 nan 8.380 nan 0.000 0.540 207 G N -1.399 107.431 108.800 0.050 0.000 4.240 207 G HA2 -0.293 3.668 3.960 0.002 0.000 0.254 207 G HA3 -0.293 3.668 3.960 0.002 0.000 0.254 207 G C -0.075 174.854 174.900 0.048 0.000 1.712 207 G CA 0.427 45.558 45.100 0.052 0.000 1.374 207 G HN 1.267 nan 8.290 nan 0.000 0.631 208 S N 1.921 117.640 115.700 0.032 0.000 2.549 208 S HA 0.499 4.971 4.470 0.002 0.000 0.283 208 S C 0.036 174.644 174.600 0.013 0.000 1.320 208 S CA 0.424 58.626 58.200 0.003 0.000 1.058 208 S CB 1.379 64.575 63.200 -0.007 0.000 0.882 208 S HN 0.671 nan 8.310 nan 0.000 0.498 209 E N 1.973 122.148 120.200 -0.041 0.000 2.360 209 E HA 0.231 4.582 4.350 0.002 0.000 0.269 209 E C -0.270 176.327 176.600 -0.005 0.000 1.022 209 E CA -0.241 56.133 56.400 -0.044 0.000 0.887 209 E CB 0.533 30.056 29.700 -0.296 0.000 0.990 209 E HN 0.422 nan 8.360 nan 0.000 0.426 210 K N 2.183 122.655 120.400 0.119 0.000 2.426 210 K HA 0.396 4.717 4.320 0.002 0.000 0.254 210 K C -1.021 175.722 176.600 0.237 0.000 0.936 210 K CA -0.734 55.639 56.287 0.144 0.000 0.801 210 K CB 2.088 34.673 32.500 0.142 0.000 1.139 210 K HN 0.226 nan 8.250 nan 0.000 0.424 211 V N 3.986 124.010 119.914 0.184 0.000 2.547 211 V HA 0.451 4.572 4.120 0.002 0.000 0.299 211 V C 0.156 176.311 176.094 0.102 0.000 1.040 211 V CA -1.013 61.398 62.300 0.185 0.000 0.913 211 V CB 1.703 33.619 31.823 0.155 0.000 0.992 211 V HN 0.546 nan 8.190 nan 0.000 0.449 212 L N 5.096 126.380 121.223 0.102 0.000 2.275 212 L HA 0.503 4.844 4.340 0.002 0.000 0.288 212 L C -0.470 176.354 176.870 -0.077 0.000 1.046 212 L CA -0.440 54.405 54.840 0.008 0.000 0.805 212 L CB 1.196 43.294 42.059 0.065 0.000 1.193 212 L HN 0.404 nan 8.230 nan 0.000 0.426 213 I N 2.382 122.865 120.570 -0.145 0.000 2.440 213 I HA 0.376 4.548 4.170 0.002 0.000 0.294 213 I C 0.756 176.782 176.117 -0.151 0.000 0.995 213 I CA -0.467 60.731 61.300 -0.169 0.000 1.306 213 I CB 1.402 39.290 38.000 -0.187 0.000 1.407 213 I HN 0.591 nan 8.210 nan 0.000 0.501 214 A N 6.467 129.214 122.820 -0.122 0.000 2.445 214 A HA 0.252 4.574 4.320 0.002 0.000 0.242 214 A C 0.100 177.613 177.584 -0.118 0.000 1.075 214 A CA -0.272 51.702 52.037 -0.105 0.000 0.777 214 A CB 0.192 19.146 19.000 -0.077 0.000 1.013 214 A HN 0.696 nan 8.150 nan 0.000 0.493 215 Q N 1.296 121.024 119.800 -0.120 0.000 2.394 215 Q HA 0.193 4.534 4.340 0.002 0.000 0.259 215 Q C -0.817 175.122 176.000 -0.101 0.000 1.021 215 Q CA -0.089 55.640 55.803 -0.123 0.000 0.805 215 Q CB 1.499 30.146 28.738 -0.152 0.000 1.226 215 Q HN 0.865 nan 8.270 nan 0.000 0.476 216 E N 3.554 123.703 120.200 -0.086 0.000 1.865 216 E HA 0.113 4.464 4.350 0.002 0.000 0.269 216 E C -0.545 176.006 176.600 -0.082 0.000 1.177 216 E CA -0.263 56.085 56.400 -0.085 0.000 0.932 216 E CB 0.281 29.953 29.700 -0.047 0.000 1.066 216 E HN 0.331 nan 8.360 nan 0.000 0.405 217 R N 1.645 122.089 120.500 -0.094 0.000 2.720 217 R HA 0.414 4.756 4.340 0.002 0.000 0.272 217 R C -0.302 175.945 176.300 -0.088 0.000 0.991 217 R CA -0.889 55.164 56.100 -0.079 0.000 1.010 217 R CB 1.176 31.436 30.300 -0.067 0.000 1.141 217 R HN 0.133 nan 8.270 nan 0.000 0.494 218 S N 0.707 116.367 115.700 -0.066 0.000 2.537 218 S HA 0.372 4.844 4.470 0.002 0.000 0.286 218 S C 0.130 174.685 174.600 -0.074 0.000 1.299 218 S CA -0.182 57.981 58.200 -0.061 0.000 1.067 218 S CB -0.111 63.073 63.200 -0.027 0.000 0.864 218 S HN 0.756 nan 8.310 nan 0.000 0.494 219 A N 4.322 127.082 122.820 -0.099 0.000 2.462 219 A HA 0.553 4.874 4.320 0.002 0.000 0.243 219 A C 0.860 178.385 177.584 -0.099 0.000 1.076 219 A CA 0.092 52.053 52.037 -0.127 0.000 0.773 219 A CB -0.211 18.677 19.000 -0.187 0.000 1.010 219 A HN 1.042 nan 8.150 nan 0.000 0.493 220 G N 0.310 109.048 108.800 -0.104 0.000 2.477 220 G HA2 0.436 4.397 3.960 0.002 0.000 0.304 220 G HA3 0.436 4.397 3.960 0.002 0.000 0.304 220 G C 0.081 174.904 174.900 -0.128 0.000 1.175 220 G CA -0.327 44.716 45.100 -0.095 0.000 0.907 220 G HN 0.985 nan 8.290 nan 0.000 0.509 221 N N -1.604 116.988 118.700 -0.179 0.000 2.735 221 N HA -0.165 4.576 4.740 0.002 0.000 0.248 221 N C -0.495 174.946 175.510 -0.115 0.000 1.083 221 N CA 1.055 53.916 53.050 -0.316 0.000 0.703 221 N CB -1.204 37.037 38.487 -0.410 0.000 1.005 221 N HN 0.546 nan 8.380 nan 0.000 0.550 222 I N 0.018 120.558 120.570 -0.050 0.000 2.533 222 I HA 0.287 4.458 4.170 0.002 0.000 0.290 222 I C 0.450 176.570 176.117 0.005 0.000 1.056 222 I CA -1.270 60.028 61.300 -0.003 0.000 1.057 222 I CB 2.188 40.166 38.000 -0.037 0.000 1.240 222 I HN -0.112 nan 8.210 nan 0.000 0.423 223 V N 3.092 123.013 119.914 0.011 0.000 2.530 223 V HA 0.496 4.617 4.120 0.002 0.000 0.282 223 V C -0.341 175.676 176.094 -0.129 0.000 1.048 223 V CA -0.177 62.109 62.300 -0.024 0.000 0.997 223 V CB 0.917 32.734 31.823 -0.011 0.000 0.987 223 V HN 0.815 nan 8.190 nan 0.000 0.477 224 Q N 2.541 122.213 119.800 -0.212 0.000 2.359 224 Q HA 0.714 5.055 4.340 0.002 0.000 0.274 224 Q C -1.277 174.315 176.000 -0.679 0.000 1.074 224 Q CA -0.927 54.613 55.803 -0.437 0.000 0.810 224 Q CB 2.991 31.450 28.738 -0.465 0.000 1.342 224 Q HN 0.950 nan 8.270 nan 0.000 0.427 225 V N -0.744 118.748 119.914 -0.704 0.000 2.459 225 V HA 0.715 4.836 4.120 0.002 0.000 0.295 225 V C -0.885 174.843 176.094 -0.610 0.000 1.029 225 V CA -0.622 61.359 62.300 -0.532 0.000 0.874 225 V CB 0.570 32.261 31.823 -0.221 0.000 0.985 225 V HN 0.593 nan 8.190 nan 0.000 0.438 226 F N 1.761 121.710 119.950 -0.002 0.000 2.551 226 F HA 0.630 5.159 4.527 0.002 0.000 0.316 226 F C 0.438 176.176 175.800 -0.102 0.000 1.089 226 F CA -0.999 56.979 58.000 -0.036 0.000 0.915 226 F CB 2.345 41.324 39.000 -0.035 0.000 1.186 226 F HN 0.396 nan 8.300 nan 0.000 0.456 227 K N 2.466 122.901 120.400 0.058 0.000 2.154 227 K HA 0.441 4.762 4.320 0.002 0.000 0.264 227 K C -0.374 176.173 176.600 -0.088 0.000 1.008 227 K CA -0.940 55.251 56.287 -0.159 0.000 0.937 227 K CB 0.969 33.386 32.500 -0.139 0.000 1.002 227 K HN 0.383 nan 8.250 nan 0.000 0.469 228 K N 0.507 120.822 120.400 -0.142 0.000 2.350 228 K HA 0.445 4.766 4.320 0.002 0.000 0.241 228 K C -0.555 176.001 176.600 -0.074 0.000 0.994 228 K CA -0.806 55.430 56.287 -0.086 0.000 0.839 228 K CB 1.985 34.437 32.500 -0.080 0.000 1.244 228 K HN 0.746 nan 8.250 nan 0.000 0.443 229 A N 0.599 123.387 122.820 -0.053 0.000 2.406 229 A HA 0.363 4.684 4.320 0.002 0.000 0.243 229 A C 1.240 178.804 177.584 -0.034 0.000 1.082 229 A CA 0.822 52.835 52.037 -0.039 0.000 0.786 229 A CB 0.070 19.051 19.000 -0.032 0.000 1.029 229 A HN 0.784 nan 8.150 nan 0.000 0.495 230 A N 1.527 124.333 122.820 -0.022 0.000 1.902 230 A HA 0.025 4.346 4.320 0.002 0.000 0.217 230 A C -0.543 177.034 177.584 -0.011 0.000 1.181 230 A CA 1.631 53.660 52.037 -0.013 0.000 0.623 230 A CB -1.499 17.498 19.000 -0.006 0.000 0.818 230 A HN 0.693 nan 8.150 nan 0.000 0.443 231 P HA 0.202 nan 4.420 nan 0.000 0.232 231 P C -0.497 176.796 177.300 -0.013 0.000 1.738 231 P CA 0.594 63.689 63.100 -0.008 0.000 0.948 231 P CB -0.231 31.464 31.700 -0.007 0.000 1.943 232 S N 1.620 117.309 115.700 -0.017 0.000 2.566 232 S HA 0.431 4.902 4.470 0.002 0.000 0.273 232 S C -2.037 172.544 174.600 -0.032 0.000 1.157 232 S CA -1.139 57.044 58.200 -0.029 0.000 0.938 232 S CB 1.562 64.736 63.200 -0.044 0.000 1.087 232 S HN -0.074 nan 8.310 nan 0.000 0.474 233 P HA 0.078 nan 4.420 nan 0.000 0.221 233 P C 0.121 177.361 177.300 -0.100 0.000 1.150 233 P CA 0.628 63.712 63.100 -0.027 0.000 0.800 233 P CB -0.236 31.471 31.700 0.011 0.000 0.787 234 I N 0.011 120.471 120.570 -0.184 0.000 2.496 234 I HA 0.080 4.251 4.170 0.002 0.000 0.285 234 I C 1.868 177.922 176.117 -0.107 0.000 1.080 234 I CA 0.275 61.432 61.300 -0.239 0.000 1.404 234 I CB 0.771 38.605 38.000 -0.278 0.000 1.403 234 I HN -0.161 nan 8.210 nan 0.000 0.539 235 S N 3.688 119.363 115.700 -0.042 0.000 2.444 235 S HA 0.180 4.651 4.470 0.002 0.000 0.223 235 S C 0.247 174.783 174.600 -0.107 0.000 1.054 235 S CA 0.492 58.696 58.200 0.007 0.000 0.947 235 S CB 0.022 63.330 63.200 0.180 0.000 0.850 235 S HN 0.702 nan 8.310 nan 0.000 0.527 236 H N -0.325 118.740 119.070 -0.008 0.000 2.667 236 H HA 0.662 5.219 4.556 0.002 0.000 0.353 236 H C -1.294 174.041 175.328 0.011 0.000 1.072 236 H CA -0.501 55.551 56.048 0.007 0.000 1.214 236 H CB 1.880 31.642 29.762 -0.000 0.000 1.600 236 H HN 0.056 nan 8.280 nan 0.000 0.527 237 V N 1.580 121.559 119.914 0.108 0.000 2.656 237 V HA 0.726 4.847 4.120 0.002 0.000 0.307 237 V C -0.310 175.807 176.094 0.039 0.000 1.051 237 V CA -0.940 61.414 62.300 0.090 0.000 0.893 237 V CB 1.837 33.728 31.823 0.114 0.000 0.999 237 V HN 0.942 nan 8.190 nan 0.000 0.426 238 A N 3.689 126.530 122.820 0.035 0.000 2.258 238 A HA 0.762 5.083 4.320 0.002 0.000 0.316 238 A C -0.289 177.311 177.584 0.025 0.000 1.279 238 A CA -0.482 51.542 52.037 -0.023 0.000 0.876 238 A CB 0.440 19.439 19.000 -0.001 0.000 1.170 238 A HN 0.851 nan 8.150 nan 0.000 0.520 239 E N 1.243 121.436 120.200 -0.012 0.000 2.195 239 E HA 0.645 4.996 4.350 0.002 0.000 0.271 239 E C -1.406 175.227 176.600 0.054 0.000 0.923 239 E CA -0.523 55.922 56.400 0.076 0.000 0.790 239 E CB 2.622 32.444 29.700 0.203 0.000 1.155 239 E HN 0.637 nan 8.360 nan 0.000 0.402 240 I N 2.192 122.809 120.570 0.079 0.000 2.611 240 I HA 0.270 4.441 4.170 0.002 0.000 0.287 240 I C -1.099 175.043 176.117 0.041 0.000 1.184 240 I CA -0.490 60.847 61.300 0.062 0.000 1.054 240 I CB 0.940 39.004 38.000 0.107 0.000 1.257 240 I HN 0.427 nan 8.210 nan 0.000 0.435 241 R N 4.597 125.108 120.500 0.017 0.000 2.490 241 R HA 0.509 4.850 4.340 0.002 0.000 0.280 241 R C -0.508 175.767 176.300 -0.043 0.000 1.077 241 R CA -0.224 55.878 56.100 0.004 0.000 1.065 241 R CB 1.087 31.387 30.300 0.000 0.000 1.003 241 R HN 0.674 nan 8.270 nan 0.000 0.470 242 S N 0.415 116.103 115.700 -0.020 0.000 2.614 242 S HA 0.802 5.273 4.470 0.002 0.000 0.288 242 S C -1.041 173.567 174.600 0.014 0.000 1.137 242 S CA -0.920 57.253 58.200 -0.044 0.000 0.992 242 S CB 2.204 65.400 63.200 -0.006 0.000 1.026 242 S HN 0.774 nan 8.310 nan 0.000 0.486 243 A N 2.793 125.610 122.820 -0.004 0.000 2.594 243 A HA 0.683 5.004 4.320 0.002 0.000 0.296 243 A C -1.214 176.377 177.584 0.012 0.000 1.061 243 A CA -0.857 51.193 52.037 0.021 0.000 0.689 243 A CB 0.876 19.885 19.000 0.014 0.000 1.280 243 A HN 0.828 nan 8.150 nan 0.000 0.406 244 L N 1.126 122.357 121.223 0.014 0.000 2.418 244 L HA 0.313 4.654 4.340 0.002 0.000 0.265 244 L C 1.250 178.123 176.870 0.005 0.000 1.143 244 L CA -0.366 54.483 54.840 0.014 0.000 0.809 244 L CB 0.966 43.028 42.059 0.006 0.000 1.124 244 L HN 0.984 nan 8.230 nan 0.000 0.456 245 E N 0.994 121.203 120.200 0.014 0.000 2.072 245 E HA -0.131 4.221 4.350 0.002 0.000 0.191 245 E C -0.536 176.073 176.600 0.015 0.000 0.985 245 E CA 1.271 57.680 56.400 0.015 0.000 0.801 245 E CB 0.062 29.775 29.700 0.022 0.000 0.750 245 E HN 0.382 nan 8.360 nan 0.000 0.452 246 K N -0.974 119.434 120.400 0.012 0.000 2.637 246 K HA 0.734 5.055 4.320 0.002 0.000 0.248 246 K C -0.036 176.565 176.600 0.002 0.000 0.971 246 K CA -0.268 56.025 56.287 0.010 0.000 0.858 246 K CB 1.888 34.396 32.500 0.013 0.000 1.170 246 K HN 0.089 nan 8.250 nan 0.000 0.443 247 G N -0.029 108.765 108.800 -0.010 0.000 2.570 247 G HA2 -0.007 3.954 3.960 0.002 0.000 0.072 247 G HA3 -0.007 3.954 3.960 0.002 0.000 0.072 247 G C -0.103 174.758 174.900 -0.064 0.000 1.030 247 G CA 0.007 45.093 45.100 -0.023 0.000 1.277 247 G HN 0.399 nan 8.290 nan 0.000 0.559 248 S N -0.572 115.044 115.700 -0.140 0.000 2.468 248 S HA 0.274 4.746 4.470 0.002 0.000 0.226 248 S C 0.965 175.280 174.600 -0.475 0.000 1.051 248 S CA 1.114 59.131 58.200 -0.304 0.000 0.943 248 S CB -0.306 62.664 63.200 -0.383 0.000 0.810 248 S HN 0.651 nan 8.310 nan 0.000 0.509 249 R N 0.045 120.315 120.500 -0.383 0.000 2.288 249 R HA -0.141 4.200 4.340 0.002 0.000 0.345 249 R C -1.840 174.206 176.300 -0.423 0.000 1.094 249 R CA 0.538 56.469 56.100 -0.283 0.000 0.897 249 R CB -1.835 28.381 30.300 -0.140 0.000 2.636 249 R HN 0.448 nan 8.270 nan 0.000 0.491 250 F N 4.064 124.040 119.950 0.044 0.000 2.366 250 F HA 0.301 4.829 4.527 0.002 0.000 0.366 250 F C 1.478 177.309 175.800 0.052 0.000 1.096 250 F CA -1.121 56.913 58.000 0.058 0.000 1.060 250 F CB 0.909 39.947 39.000 0.064 0.000 1.282 250 F HN 0.310 nan 8.300 nan 0.000 0.450 251 I N 1.432 122.122 120.570 0.200 0.000 2.553 251 I HA 0.177 4.348 4.170 0.002 0.000 0.295 251 I C 0.198 176.390 176.117 0.125 0.000 1.128 251 I CA -0.096 61.277 61.300 0.123 0.000 2.128 251 I CB -0.925 37.122 38.000 0.079 0.000 1.543 251 I HN 0.358 nan 8.210 nan 0.000 0.970 252 S N 2.682 118.467 115.700 0.141 0.000 2.541 252 S HA 0.674 5.146 4.470 0.002 0.000 0.283 252 S C 0.288 174.938 174.600 0.084 0.000 1.196 252 S CA -0.526 57.745 58.200 0.118 0.000 1.062 252 S CB 1.564 64.851 63.200 0.145 0.000 1.009 252 S HN 0.583 nan 8.310 nan 0.000 0.502 253 T N 0.409 115.008 114.554 0.076 0.000 2.895 253 T HA 0.633 4.985 4.350 0.002 0.000 0.283 253 T C -0.653 174.098 174.700 0.084 0.000 1.014 253 T CA -0.897 61.246 62.100 0.071 0.000 1.037 253 T CB 1.120 70.028 68.868 0.067 0.000 1.006 253 T HN 0.604 nan 8.240 nan 0.000 0.468 254 L N 2.372 123.648 121.223 0.089 0.000 2.294 254 L HA 0.431 4.772 4.340 0.002 0.000 0.283 254 L C -0.433 176.511 176.870 0.124 0.000 1.015 254 L CA -0.329 54.580 54.840 0.114 0.000 0.831 254 L CB 1.170 43.292 42.059 0.105 0.000 1.217 254 L HN 0.754 nan 8.230 nan 0.000 0.420 255 Q N 4.292 124.169 119.800 0.128 0.000 2.314 255 Q HA 0.538 4.880 4.340 0.002 0.000 0.259 255 Q C -1.106 174.979 176.000 0.142 0.000 0.951 255 Q CA -0.676 55.202 55.803 0.125 0.000 0.909 255 Q CB 2.330 31.133 28.738 0.110 0.000 1.236 255 Q HN 0.505 nan 8.270 nan 0.000 0.444 256 V N 3.605 123.601 119.914 0.137 0.000 2.370 256 V HA 0.350 4.472 4.120 0.002 0.000 0.283 256 V C -0.206 175.969 176.094 0.134 0.000 1.023 256 V CA -0.679 61.711 62.300 0.150 0.000 0.857 256 V CB 1.192 33.106 31.823 0.152 0.000 0.985 256 V HN 0.636 nan 8.190 nan 0.000 0.443 257 K N 3.805 124.301 120.400 0.160 0.000 2.203 257 K HA 0.696 5.017 4.320 0.002 0.000 0.251 257 K C -1.188 175.518 176.600 0.177 0.000 0.944 257 K CA -0.947 55.417 56.287 0.129 0.000 0.829 257 K CB 2.489 35.040 32.500 0.085 0.000 1.125 257 K HN 0.463 nan 8.250 nan 0.000 0.430 258 L N 3.383 124.676 121.223 0.117 0.000 2.295 258 L HA 0.348 4.689 4.340 0.002 0.000 0.281 258 L C -1.442 175.498 176.870 0.117 0.000 1.018 258 L CA -0.342 54.591 54.840 0.154 0.000 0.841 258 L CB 0.143 42.283 42.059 0.135 0.000 1.218 258 L HN 0.442 nan 8.230 nan 0.000 0.424 259 Y N 3.407 123.750 120.300 0.072 0.000 2.314 259 Y HA 0.581 5.132 4.550 0.002 0.000 0.334 259 Y C 1.164 177.098 175.900 0.057 0.000 1.266 259 Y CA 0.427 58.564 58.100 0.062 0.000 1.391 259 Y CB 1.262 39.756 38.460 0.055 0.000 1.306 259 Y HN 0.814 nan 8.280 nan 0.000 0.558 260 G N 2.850 111.763 108.800 0.189 0.000 3.396 260 G HA2 -0.186 3.775 3.960 0.002 0.000 0.682 260 G HA3 -0.186 3.775 3.960 0.002 0.000 0.682 260 G C -0.492 174.461 174.900 0.089 0.000 0.924 260 G CA -0.948 44.227 45.100 0.126 0.000 0.770 260 G HN 0.583 nan 8.290 nan 0.000 0.484 261 R N 0.969 121.509 120.500 0.067 0.000 2.649 261 R HA 0.243 4.584 4.340 0.002 0.000 0.270 261 R C 0.846 177.180 176.300 0.056 0.000 1.105 261 R CA -0.553 55.583 56.100 0.059 0.000 1.193 261 R CB 0.620 30.945 30.300 0.041 0.000 1.120 261 R HN 0.713 nan 8.270 nan 0.000 0.561 262 E N 0.296 120.528 120.200 0.054 0.000 1.833 262 E HA 0.041 4.392 4.350 0.002 0.000 0.258 262 E C 0.198 176.818 176.600 0.034 0.000 1.257 262 E CA 0.195 56.621 56.400 0.043 0.000 1.003 262 E CB -0.245 29.481 29.700 0.044 0.000 1.068 262 E HN 0.774 nan 8.360 nan 0.000 0.422 263 G N 2.570 111.390 108.800 0.033 0.000 4.386 263 G HA2 -0.156 3.805 3.960 0.002 0.000 0.183 263 G HA3 -0.156 3.805 3.960 0.002 0.000 0.183 263 G C -0.013 174.904 174.900 0.029 0.000 1.226 263 G CA 0.074 45.191 45.100 0.028 0.000 0.926 263 G HN 0.537 nan 8.290 nan 0.000 0.306 264 S N 1.441 117.161 115.700 0.033 0.000 2.592 264 S HA 0.579 5.050 4.470 0.002 0.000 0.271 264 S C 0.740 175.361 174.600 0.034 0.000 1.326 264 S CA 0.617 58.837 58.200 0.034 0.000 1.024 264 S CB 1.438 64.661 63.200 0.039 0.000 0.921 264 S HN 1.563 nan 8.310 nan 0.000 0.527 265 S N 1.086 116.804 115.700 0.029 0.000 2.608 265 S HA 0.559 5.030 4.470 0.002 0.000 0.261 265 S C 0.624 175.243 174.600 0.031 0.000 1.314 265 S CA -0.438 57.778 58.200 0.027 0.000 0.992 265 S CB -0.205 63.007 63.200 0.020 0.000 0.935 265 S HN 2.410 nan 8.310 nan 0.000 0.564 266 A N 0.723 123.559 122.820 0.027 0.000 2.108 266 A HA -0.152 4.170 4.320 0.002 0.000 0.270 266 A C 0.344 177.955 177.584 0.046 0.000 1.390 266 A CA 0.402 52.457 52.037 0.029 0.000 0.729 266 A CB -1.940 17.073 19.000 0.021 0.000 1.185 266 A HN 0.738 nan 8.150 nan 0.000 0.318 267 R N 1.236 121.765 120.500 0.048 0.000 2.878 267 R HA 0.198 4.540 4.340 0.002 0.000 0.239 267 R C 0.776 177.122 176.300 0.077 0.000 1.515 267 R CA 0.650 56.790 56.100 0.068 0.000 1.210 267 R CB 0.091 30.422 30.300 0.050 0.000 1.209 267 R HN 0.695 nan 8.270 nan 0.000 0.610 268 T N 2.157 116.768 114.554 0.095 0.000 2.899 268 T HA 0.356 4.707 4.350 0.002 0.000 0.295 268 T C 0.321 175.107 174.700 0.143 0.000 1.033 268 T CA -0.359 61.792 62.100 0.085 0.000 1.084 268 T CB 0.490 69.376 68.868 0.030 0.000 0.979 268 T HN 0.317 nan 8.240 nan 0.000 0.532 269 I N 3.999 124.640 120.570 0.119 0.000 2.404 269 I HA 0.516 4.687 4.170 0.002 0.000 0.293 269 I C 0.378 176.589 176.117 0.157 0.000 0.992 269 I CA -0.769 60.627 61.300 0.159 0.000 1.149 269 I CB 1.731 39.806 38.000 0.124 0.000 1.315 269 I HN 0.552 nan 8.210 nan 0.000 0.446 270 K N 3.862 124.400 120.400 0.230 0.000 2.372 270 K HA 0.948 5.269 4.320 0.002 0.000 0.251 270 K C -1.274 175.458 176.600 0.220 0.000 1.055 270 K CA -1.072 55.335 56.287 0.200 0.000 0.879 270 K CB 2.669 35.272 32.500 0.172 0.000 1.384 270 K HN 0.662 nan 8.250 nan 0.000 0.465 271 A N 0.501 123.436 122.820 0.191 0.000 2.547 271 A HA 0.545 4.867 4.320 0.002 0.000 0.297 271 A C -1.293 176.389 177.584 0.163 0.000 1.056 271 A CA -0.643 51.502 52.037 0.181 0.000 0.688 271 A CB 1.673 20.779 19.000 0.175 0.000 1.282 271 A HN 0.478 nan 8.150 nan 0.000 0.400 272 T N 2.571 117.220 114.554 0.158 0.000 2.767 272 T HA 0.594 4.945 4.350 0.002 0.000 0.284 272 T C -0.279 174.503 174.700 0.137 0.000 0.973 272 T CA -0.094 62.087 62.100 0.135 0.000 0.996 272 T CB 0.348 69.288 68.868 0.121 0.000 0.927 272 T HN 0.449 nan 8.240 nan 0.000 0.456 273 L N 5.058 126.356 121.223 0.124 0.000 2.334 273 L HA 0.513 4.855 4.340 0.002 0.000 0.273 273 L C -1.974 174.971 176.870 0.125 0.000 1.013 273 L CA -2.636 52.289 54.840 0.143 0.000 0.816 273 L CB 1.558 43.694 42.059 0.129 0.000 1.278 273 L HN 0.365 nan 8.230 nan 0.000 0.431 274 P HA 0.003 nan 4.420 nan 0.000 0.268 274 P C -0.645 176.821 177.300 0.276 0.000 1.205 274 P CA 0.239 63.444 63.100 0.175 0.000 0.771 274 P CB 0.334 32.178 31.700 0.240 0.000 0.858 275 Y N -1.319 118.983 120.300 0.003 0.000 4.881 275 Y HA -0.228 4.323 4.550 0.002 0.000 0.241 275 Y C 0.636 176.565 175.900 0.049 0.000 0.985 275 Y CA 0.619 58.729 58.100 0.017 0.000 1.976 275 Y CB -2.228 36.220 38.460 -0.020 0.000 1.528 275 Y HN 0.312 nan 8.280 nan 0.000 0.581 276 I N -0.189 120.462 120.570 0.135 0.000 2.433 276 I HA 0.188 4.359 4.170 0.002 0.000 0.292 276 I C 1.111 177.255 176.117 0.046 0.000 1.001 276 I CA -0.891 60.462 61.300 0.089 0.000 1.119 276 I CB 1.841 39.877 38.000 0.061 0.000 1.289 276 I HN -0.065 nan 8.210 nan 0.000 0.438 277 K N 3.013 123.427 120.400 0.023 0.000 1.963 277 K HA -0.083 4.238 4.320 0.002 0.000 0.216 277 K C 0.911 177.523 176.600 0.020 0.000 1.045 277 K CA 1.217 57.510 56.287 0.011 0.000 0.954 277 K CB -0.010 32.487 32.500 -0.004 0.000 0.732 277 K HN 0.541 nan 8.250 nan 0.000 0.442 278 Q N 1.253 121.057 119.800 0.006 0.000 2.317 278 Q HA 0.020 4.362 4.340 0.002 0.000 0.229 278 Q C -1.078 174.958 176.000 0.060 0.000 0.984 278 Q CA -0.400 55.423 55.803 0.034 0.000 0.911 278 Q CB 1.050 29.803 28.738 0.026 0.000 1.217 278 Q HN 0.077 nan 8.270 nan 0.000 0.501 279 D N 1.421 121.879 120.400 0.096 0.000 2.382 279 D HA 0.270 4.911 4.640 0.002 0.000 0.245 279 D C -0.660 175.708 176.300 0.113 0.000 1.120 279 D CA 0.378 54.451 54.000 0.122 0.000 0.890 279 D CB 0.550 41.459 40.800 0.181 0.000 1.201 279 D HN 0.304 nan 8.370 nan 0.000 0.433 280 I N 3.486 124.127 120.570 0.119 0.000 2.406 280 I HA 0.258 4.429 4.170 0.002 0.000 0.290 280 I C -2.181 174.003 176.117 0.112 0.000 0.999 280 I CA -2.351 59.028 61.300 0.132 0.000 1.124 280 I CB 2.002 40.068 38.000 0.111 0.000 1.289 280 I HN 0.093 nan 8.210 nan 0.000 0.441 281 P HA 0.022 nan 4.420 nan 0.000 0.266 281 P C 1.014 178.377 177.300 0.106 0.000 1.195 281 P CA 0.085 63.233 63.100 0.081 0.000 0.768 281 P CB 0.672 32.398 31.700 0.043 0.000 0.838 282 I N 0.708 121.360 120.570 0.137 0.000 2.454 282 I HA -0.202 3.970 4.170 0.002 0.000 0.254 282 I C 1.676 177.953 176.117 0.266 0.000 1.156 282 I CA 1.247 62.669 61.300 0.202 0.000 1.433 282 I CB -0.969 37.183 38.000 0.254 0.000 1.082 282 I HN -0.025 nan 8.210 nan 0.000 0.432 283 V N 1.918 121.936 119.914 0.173 0.000 2.358 283 V HA -0.224 3.897 4.120 0.002 0.000 0.246 283 V C 2.576 178.750 176.094 0.134 0.000 1.047 283 V CA 1.989 64.375 62.300 0.144 0.000 1.035 283 V CB -0.599 31.263 31.823 0.065 0.000 0.658 283 V HN 0.434 nan 8.190 nan 0.000 0.452 284 I N -0.061 120.563 120.570 0.090 0.000 2.286 284 I HA -0.243 3.929 4.170 0.002 0.000 0.248 284 I C 2.276 178.411 176.117 0.030 0.000 1.115 284 I CA 1.773 63.109 61.300 0.060 0.000 1.392 284 I CB -0.377 37.667 38.000 0.074 0.000 1.065 284 I HN 0.253 nan 8.210 nan 0.000 0.418 285 I N -0.045 120.528 120.570 0.004 0.000 2.226 285 I HA -0.284 3.888 4.170 0.002 0.000 0.245 285 I C 2.353 178.349 176.117 -0.202 0.000 1.100 285 I CA 1.620 62.827 61.300 -0.156 0.000 1.374 285 I CB -0.476 37.376 38.000 -0.247 0.000 1.057 285 I HN 0.040 nan 8.210 nan 0.000 0.413 286 F N 1.096 120.975 119.950 -0.117 0.000 2.171 286 F HA -0.153 4.375 4.527 0.002 0.000 0.300 286 F C 2.700 178.432 175.800 -0.114 0.000 1.090 286 F CA 1.467 59.387 58.000 -0.134 0.000 1.293 286 F CB -0.277 38.651 39.000 -0.119 0.000 1.013 286 F HN -0.139 nan 8.300 nan 0.000 0.486 287 R N -0.460 120.102 120.500 0.102 0.000 2.148 287 R HA -0.011 4.331 4.340 0.002 0.000 0.223 287 R C 2.325 178.622 176.300 -0.006 0.000 1.088 287 R CA 0.866 56.990 56.100 0.040 0.000 0.985 287 R CB -0.487 29.832 30.300 0.032 0.000 0.880 287 R HN 0.235 nan 8.270 nan 0.000 0.451 288 A N 0.872 123.669 122.820 -0.039 0.000 1.969 288 A HA -0.074 4.248 4.320 0.002 0.000 0.218 288 A C 2.035 179.562 177.584 -0.095 0.000 1.169 288 A CA 0.937 52.932 52.037 -0.070 0.000 0.635 288 A CB -0.298 18.640 19.000 -0.102 0.000 0.810 288 A HN 0.166 nan 8.150 nan 0.000 0.445 289 L N -1.864 119.281 121.223 -0.131 0.000 2.056 289 L HA 0.062 4.403 4.340 0.002 0.000 0.207 289 L C 1.957 178.796 176.870 -0.051 0.000 1.078 289 L CA 1.306 56.075 54.840 -0.118 0.000 0.749 289 L CB -0.118 41.830 42.059 -0.184 0.000 0.901 289 L HN 0.583 nan 8.230 nan 0.000 0.433 290 G N -1.006 107.778 108.800 -0.027 0.000 2.870 290 G HA2 -0.096 3.865 3.960 0.002 0.000 0.216 290 G HA3 -0.096 3.865 3.960 0.002 0.000 0.216 290 G C 0.068 174.980 174.900 0.020 0.000 0.973 290 G CA -0.626 44.473 45.100 -0.002 0.000 0.807 290 G HN 0.115 nan 8.290 nan 0.000 0.573 291 I N 2.448 123.040 120.570 0.036 0.000 2.269 291 I HA 0.362 4.534 4.170 0.002 0.000 0.293 291 I C 1.527 177.676 176.117 0.053 0.000 1.106 291 I CA -0.473 60.864 61.300 0.062 0.000 1.248 291 I CB 0.731 38.782 38.000 0.084 0.000 1.444 291 I HN 0.042 nan 8.210 nan 0.000 0.497 292 I N 5.983 126.574 120.570 0.035 0.000 2.400 292 I HA 0.035 4.206 4.170 0.002 0.000 0.248 292 I C -1.280 174.846 176.117 0.016 0.000 1.109 292 I CA -0.023 61.289 61.300 0.021 0.000 1.425 292 I CB -0.866 37.141 38.000 0.011 0.000 1.094 292 I HN 0.388 nan 8.210 nan 0.000 0.425 293 P HA -0.027 nan 4.420 nan 0.000 0.263 293 P C -1.008 176.289 177.300 -0.005 0.000 1.247 293 P CA 0.082 63.187 63.100 0.008 0.000 0.876 293 P CB -0.212 31.494 31.700 0.009 0.000 0.928 294 D N 3.196 123.592 120.400 -0.005 0.000 2.541 294 D HA 0.102 4.743 4.640 0.002 0.000 0.231 294 D C 1.049 177.333 176.300 -0.026 0.000 1.163 294 D CA -0.136 53.852 54.000 -0.020 0.000 1.077 294 D CB -0.143 40.660 40.800 0.005 0.000 1.110 294 D HN 0.507 nan 8.370 nan 0.000 0.499 295 G N 1.975 110.749 108.800 -0.043 0.000 4.137 295 G HA2 -0.179 3.782 3.960 0.002 0.000 0.194 295 G HA3 -0.179 3.782 3.960 0.002 0.000 0.194 295 G C 0.925 175.790 174.900 -0.057 0.000 0.891 295 G CA -0.261 44.812 45.100 -0.044 0.000 0.946 295 G HN 0.359 nan 8.290 nan 0.000 0.332 296 E N 0.332 120.506 120.200 -0.044 0.000 2.216 296 E HA 0.138 4.489 4.350 0.002 0.000 0.192 296 E C 2.313 178.906 176.600 -0.012 0.000 0.988 296 E CA 0.472 56.845 56.400 -0.046 0.000 0.834 296 E CB -0.048 29.647 29.700 -0.008 0.000 0.772 296 E HN 0.552 nan 8.360 nan 0.000 0.479 297 I N 0.970 121.505 120.570 -0.059 0.000 2.208 297 I HA -0.297 3.874 4.170 0.002 0.000 0.245 297 I C 2.016 177.942 176.117 -0.319 0.000 1.097 297 I CA 0.671 61.801 61.300 -0.283 0.000 1.363 297 I CB -0.182 37.620 38.000 -0.331 0.000 1.051 297 I HN 0.247 nan 8.210 nan 0.000 0.413 298 L N 0.340 121.454 121.223 -0.181 0.000 2.093 298 L HA -0.171 4.170 4.340 0.002 0.000 0.208 298 L C 2.321 179.121 176.870 -0.116 0.000 1.085 298 L CA 1.814 56.573 54.840 -0.134 0.000 0.755 298 L CB -1.357 40.654 42.059 -0.081 0.000 0.904 298 L HN 0.337 nan 8.230 nan 0.000 0.435 299 E N -1.519 118.611 120.200 -0.116 0.000 2.418 299 E HA -0.158 4.193 4.350 0.002 0.000 0.197 299 E C 1.970 178.464 176.600 -0.177 0.000 1.026 299 E CA 0.203 56.525 56.400 -0.130 0.000 0.862 299 E CB 0.094 29.723 29.700 -0.117 0.000 0.799 299 E HN 0.532 nan 8.360 nan 0.000 0.518 300 H N -0.371 118.602 119.070 -0.162 0.000 2.372 300 H HA 0.012 4.569 4.556 0.002 0.000 0.301 300 H C 2.034 177.323 175.328 -0.064 0.000 1.065 300 H CA 1.024 56.997 56.048 -0.124 0.000 1.364 300 H CB 0.340 29.960 29.762 -0.237 0.000 1.406 300 H HN 0.186 nan 8.280 nan 0.000 0.521 301 I N -0.204 120.360 120.570 -0.010 0.000 2.429 301 I HA -0.087 4.084 4.170 0.002 0.000 0.247 301 I C 1.462 177.526 176.117 -0.088 0.000 1.099 301 I CA 0.122 61.438 61.300 0.027 0.000 1.422 301 I CB 0.358 38.371 38.000 0.022 0.000 1.112 301 I HN 0.083 nan 8.210 nan 0.000 0.430 302 C N -0.180 119.044 119.300 -0.126 0.000 2.534 302 C HA 0.208 4.670 4.460 0.002 0.000 0.385 302 C C 1.161 176.022 174.990 -0.215 0.000 1.264 302 C CA -0.177 58.803 59.018 -0.064 0.000 2.342 302 C CB 0.238 27.974 27.740 -0.006 0.000 2.564 302 C HN 0.420 nan 8.230 nan 0.000 0.603 303 Y N 0.130 120.517 120.300 0.144 0.000 2.736 303 Y HA 0.271 4.823 4.550 0.002 0.000 0.272 303 Y C 0.655 176.629 175.900 0.125 0.000 1.118 303 Y CA 0.086 58.288 58.100 0.170 0.000 1.248 303 Y CB -0.166 38.413 38.460 0.198 0.000 1.437 303 Y HN 0.609 nan 8.280 nan 0.000 0.481 304 D N 0.452 121.008 120.400 0.260 0.000 2.317 304 D HA 0.213 4.854 4.640 0.002 0.000 0.234 304 D C 0.834 177.209 176.300 0.125 0.000 1.112 304 D CA 0.087 54.188 54.000 0.168 0.000 0.840 304 D CB 1.692 42.576 40.800 0.141 0.000 1.078 304 D HN -0.004 nan 8.370 nan 0.000 0.486 305 V N 3.633 123.608 119.914 0.102 0.000 2.759 305 V HA -0.126 3.996 4.120 0.002 0.000 0.256 305 V C 1.344 177.499 176.094 0.102 0.000 1.080 305 V CA 1.006 63.352 62.300 0.076 0.000 1.101 305 V CB -0.616 31.231 31.823 0.040 0.000 0.698 305 V HN 0.567 nan 8.190 nan 0.000 0.477 306 N N 0.306 119.078 118.700 0.120 0.000 2.322 306 N HA 0.036 4.777 4.740 0.002 0.000 0.216 306 N C 0.249 175.897 175.510 0.229 0.000 1.144 306 N CA 0.249 53.401 53.050 0.170 0.000 0.830 306 N CB -0.069 38.499 38.487 0.136 0.000 1.034 306 N HN 0.454 nan 8.380 nan 0.000 0.484 307 D N 0.608 121.100 120.400 0.153 0.000 3.110 307 D HA 0.024 4.665 4.640 0.002 0.000 0.254 307 D C 1.478 177.780 176.300 0.003 0.000 1.283 307 D CA -0.543 53.490 54.000 0.054 0.000 0.944 307 D CB -0.047 40.772 40.800 0.032 0.000 1.066 307 D HN 0.229 nan 8.370 nan 0.000 0.496 308 W N 0.551 121.860 121.300 0.015 0.000 2.313 308 W HA -0.257 4.404 4.660 0.002 0.000 0.293 308 W C 1.336 177.858 176.519 0.005 0.000 1.216 308 W CA 0.527 57.876 57.345 0.007 0.000 1.223 308 W CB -0.847 28.615 29.460 0.003 0.000 1.138 308 W HN 0.307 nan 8.180 nan 0.000 0.535 309 Q N 0.607 119.970 119.800 -0.728 0.000 2.119 309 Q HA -0.206 4.136 4.340 0.002 0.000 0.201 309 Q C 2.549 178.390 176.000 -0.265 0.000 0.972 309 Q CA 1.908 57.324 55.803 -0.646 0.000 0.847 309 Q CB -0.337 27.905 28.738 -0.828 0.000 0.903 309 Q HN 0.369 nan 8.270 nan 0.000 0.433 310 M N -0.063 119.423 119.600 -0.189 0.000 2.132 310 M HA -0.178 4.303 4.480 0.002 0.000 0.263 310 M C 1.665 177.940 176.300 -0.041 0.000 1.065 310 M CA 1.175 56.420 55.300 -0.090 0.000 1.122 310 M CB 0.086 32.657 32.600 -0.047 0.000 1.365 310 M HN 0.258 nan 8.290 nan 0.000 0.411 311 L N 0.488 121.705 121.223 -0.010 0.000 2.131 311 L HA -0.188 4.154 4.340 0.002 0.000 0.210 311 L C 2.325 179.210 176.870 0.025 0.000 1.092 311 L CA 1.507 56.360 54.840 0.021 0.000 0.759 311 L CB -0.736 41.359 42.059 0.060 0.000 0.903 311 L HN 0.309 nan 8.230 nan 0.000 0.435 312 E N -0.778 119.440 120.200 0.029 0.000 2.150 312 E HA -0.182 4.169 4.350 0.002 0.000 0.193 312 E C 2.143 178.748 176.600 0.009 0.000 0.985 312 E CA 1.083 57.506 56.400 0.038 0.000 0.814 312 E CB -0.003 29.733 29.700 0.060 0.000 0.752 312 E HN 0.230 nan 8.360 nan 0.000 0.466 313 M N -0.475 119.115 119.600 -0.016 0.000 2.229 313 M HA -0.051 4.430 4.480 0.002 0.000 0.264 313 M C 1.767 178.068 176.300 0.001 0.000 1.063 313 M CA 1.047 56.338 55.300 -0.016 0.000 1.114 313 M CB -0.463 32.114 32.600 -0.038 0.000 1.387 313 M HN 0.171 nan 8.290 nan 0.000 0.420 314 L N -0.766 120.458 121.223 0.001 0.000 2.446 314 L HA -0.031 4.310 4.340 0.002 0.000 0.219 314 L C 2.256 179.130 176.870 0.006 0.000 1.116 314 L CA 0.481 55.324 54.840 0.005 0.000 0.844 314 L CB -0.453 41.603 42.059 -0.005 0.000 0.970 314 L HN 0.182 nan 8.230 nan 0.000 0.457 315 K N 0.583 120.987 120.400 0.007 0.000 2.034 315 K HA -0.192 4.129 4.320 0.002 0.000 0.214 315 K C -0.460 176.141 176.600 0.002 0.000 1.051 315 K CA 2.008 58.298 56.287 0.005 0.000 0.931 315 K CB -1.113 31.393 32.500 0.010 0.000 0.715 315 K HN 0.295 nan 8.250 nan 0.000 0.446 316 P HA -0.099 nan 4.420 nan 0.000 0.222 316 P C 1.701 179.008 177.300 0.012 0.000 1.153 316 P CA 1.269 64.373 63.100 0.006 0.000 0.798 316 P CB -0.252 31.455 31.700 0.013 0.000 0.796 317 C N -1.823 117.489 119.300 0.019 0.000 2.464 317 C HA 0.062 4.523 4.460 0.002 0.000 0.278 317 C C 2.562 177.568 174.990 0.027 0.000 1.375 317 C CA 0.005 59.038 59.018 0.026 0.000 1.761 317 C CB -1.796 25.968 27.740 0.040 0.000 1.944 317 C HN 0.034 nan 8.230 nan 0.000 0.509 318 V N 1.430 121.356 119.914 0.020 0.000 2.453 318 V HA -0.145 3.976 4.120 0.002 0.000 0.247 318 V C 2.746 178.870 176.094 0.050 0.000 1.048 318 V CA 2.248 64.564 62.300 0.026 0.000 1.049 318 V CB -0.825 31.004 31.823 0.010 0.000 0.672 318 V HN 0.585 nan 8.190 nan 0.000 0.457 319 E N -0.068 120.148 120.200 0.027 0.000 2.204 319 E HA -0.261 4.090 4.350 0.002 0.000 0.195 319 E C 1.856 178.495 176.600 0.066 0.000 0.990 319 E CA 1.312 57.726 56.400 0.023 0.000 0.821 319 E CB -0.126 29.556 29.700 -0.030 0.000 0.750 319 E HN 0.583 nan 8.360 nan 0.000 0.477 320 D N -0.236 120.189 120.400 0.042 0.000 2.183 320 D HA -0.067 4.574 4.640 0.002 0.000 0.203 320 D C 1.921 178.238 176.300 0.029 0.000 0.969 320 D CA 1.196 55.211 54.000 0.025 0.000 0.842 320 D CB -0.175 40.625 40.800 -0.001 0.000 0.957 320 D HN 0.168 nan 8.370 nan 0.000 0.484 321 G N -0.913 107.917 108.800 0.051 0.000 2.712 321 G HA2 -0.178 3.783 3.960 0.002 0.000 0.212 321 G HA3 -0.178 3.783 3.960 0.002 0.000 0.212 321 G C 1.272 176.204 174.900 0.053 0.000 1.142 321 G CA 0.044 45.165 45.100 0.035 0.000 0.789 321 G HN 0.314 nan 8.290 nan 0.000 0.535 322 F N 1.947 121.872 119.950 -0.041 0.000 2.236 322 F HA -0.182 4.346 4.527 0.002 0.000 0.302 322 F C 2.337 178.111 175.800 -0.044 0.000 1.073 322 F CA 1.216 59.193 58.000 -0.037 0.000 1.336 322 F CB -0.014 38.966 39.000 -0.033 0.000 1.040 322 F HN 0.022 nan 8.300 nan 0.000 0.507 323 V N 0.728 120.532 119.914 -0.183 0.000 2.568 323 V HA -0.192 3.930 4.120 0.002 0.000 0.253 323 V C 1.225 177.153 176.094 -0.277 0.000 1.072 323 V CA 1.267 63.406 62.300 -0.268 0.000 1.084 323 V CB -0.801 30.920 31.823 -0.171 0.000 0.676 323 V HN 0.161 nan 8.190 nan 0.000 0.469 324 I N -0.617 119.831 120.570 -0.204 0.000 2.562 324 I HA 0.443 4.614 4.170 0.002 0.000 0.301 324 I C 0.457 176.492 176.117 -0.138 0.000 1.003 324 I CA -0.160 61.053 61.300 -0.146 0.000 1.127 324 I CB 1.915 39.868 38.000 -0.079 0.000 1.304 324 I HN -0.079 nan 8.210 nan 0.000 0.446 325 Q N 1.900 121.633 119.800 -0.113 0.000 1.988 325 Q HA 0.264 4.605 4.340 0.002 0.000 0.202 325 Q C -1.285 174.686 176.000 -0.048 0.000 0.760 325 Q CA 0.139 55.892 55.803 -0.082 0.000 0.940 325 Q CB 0.826 29.497 28.738 -0.112 0.000 1.214 325 Q HN 0.539 nan 8.270 nan 0.000 0.432 326 D N -1.053 119.322 120.400 -0.042 0.000 2.601 326 D HA 0.266 4.907 4.640 0.002 0.000 0.230 326 D C 0.016 176.306 176.300 -0.015 0.000 1.106 326 D CA -0.504 53.481 54.000 -0.025 0.000 0.873 326 D CB 1.593 42.377 40.800 -0.026 0.000 1.515 326 D HN -0.027 nan 8.370 nan 0.000 0.468 327 R N 0.857 121.351 120.500 -0.009 0.000 2.115 327 R HA -0.090 4.252 4.340 0.002 0.000 0.230 327 R C 1.280 177.577 176.300 -0.005 0.000 1.111 327 R CA 1.389 57.485 56.100 -0.007 0.000 0.976 327 R CB 0.249 30.546 30.300 -0.005 0.000 0.870 327 R HN 0.477 nan 8.270 nan 0.000 0.445 328 E N -0.943 119.253 120.200 -0.005 0.000 2.110 328 E HA -0.128 4.223 4.350 0.002 0.000 0.193 328 E C 1.312 177.913 176.600 0.002 0.000 0.988 328 E CA 1.740 58.138 56.400 -0.002 0.000 0.804 328 E CB 0.139 29.837 29.700 -0.004 0.000 0.745 328 E HN 0.369 nan 8.360 nan 0.000 0.458 329 T N -0.015 114.537 114.554 -0.004 0.000 3.081 329 T HA 0.196 4.547 4.350 0.002 0.000 0.250 329 T C 1.731 176.439 174.700 0.013 0.000 1.100 329 T CA 0.479 62.579 62.100 0.000 0.000 1.038 329 T CB 0.340 69.194 68.868 -0.023 0.000 0.962 329 T HN 0.156 nan 8.240 nan 0.000 0.516 330 A N 1.793 124.619 122.820 0.009 0.000 1.872 330 A HA 0.167 4.488 4.320 0.002 0.000 0.214 330 A C 1.840 179.444 177.584 0.034 0.000 1.187 330 A CA 0.970 53.017 52.037 0.017 0.000 0.614 330 A CB -0.619 18.382 19.000 0.002 0.000 0.826 330 A HN 0.406 nan 8.150 nan 0.000 0.442 331 L N 0.226 121.461 121.223 0.019 0.000 2.599 331 L HA 0.031 4.372 4.340 0.002 0.000 0.230 331 L C 1.611 178.505 176.870 0.041 0.000 1.141 331 L CA 0.938 55.788 54.840 0.017 0.000 0.877 331 L CB -0.285 41.773 42.059 -0.002 0.000 1.009 331 L HN 0.376 nan 8.230 nan 0.000 0.447 332 D N 0.067 120.504 120.400 0.063 0.000 2.123 332 D HA -0.218 4.423 4.640 0.002 0.000 0.200 332 D C 1.117 177.494 176.300 0.129 0.000 0.976 332 D CA 0.764 54.811 54.000 0.078 0.000 0.831 332 D CB 0.070 40.912 40.800 0.070 0.000 0.974 332 D HN 0.178 nan 8.370 nan 0.000 0.469 333 F N 1.652 121.598 119.950 -0.006 0.000 2.666 333 F HA 0.266 4.794 4.527 0.002 0.000 0.362 333 F C -0.669 175.137 175.800 0.010 0.000 1.190 333 F CA -0.297 57.703 58.000 -0.001 0.000 1.328 333 F CB -0.343 38.653 39.000 -0.008 0.000 1.682 333 F HN -0.153 nan 8.300 nan 0.000 0.623 334 I N 1.997 122.482 120.570 -0.142 0.000 2.468 334 I HA 0.480 4.651 4.170 0.002 0.000 0.284 334 I C 0.293 176.337 176.117 -0.122 0.000 1.038 334 I CA -0.392 60.821 61.300 -0.145 0.000 1.083 334 I CB 0.969 38.959 38.000 -0.017 0.000 1.223 334 I HN 0.341 nan 8.210 nan 0.000 0.443 335 G N 4.414 113.108 108.800 -0.178 0.000 2.725 335 G HA2 0.698 4.659 3.960 0.002 0.000 0.288 335 G HA3 0.698 4.659 3.960 0.002 0.000 0.288 335 G C -0.527 174.330 174.900 -0.073 0.000 1.399 335 G CA -0.797 44.230 45.100 -0.122 0.000 0.859 335 G HN 0.655 nan 8.290 nan 0.000 0.479 347 K N 2.169 122.573 120.400 0.006 0.000 2.217 347 K HA -0.015 4.306 4.320 0.002 0.000 0.202 347 K C 1.982 178.583 176.600 0.002 0.000 1.051 347 K CA 1.513 57.800 56.287 -0.001 0.000 0.952 347 K CB -0.037 32.456 32.500 -0.012 0.000 0.736 347 K HN 0.040 nan 8.250 nan 0.000 0.453 348 R N 0.311 120.818 120.500 0.012 0.000 2.373 348 R HA 0.265 4.607 4.340 0.002 0.000 0.221 348 R C 1.718 178.062 176.300 0.074 0.000 0.893 348 R CA 0.001 56.116 56.100 0.026 0.000 1.049 348 R CB -0.163 30.137 30.300 0.000 0.000 1.119 348 R HN 0.141 nan 8.270 nan 0.000 0.535 349 I N 1.495 122.096 120.570 0.052 0.000 2.584 349 I HA -0.081 4.090 4.170 0.002 0.000 0.255 349 I C 2.085 178.233 176.117 0.052 0.000 1.145 349 I CA 0.844 62.172 61.300 0.046 0.000 1.462 349 I CB -0.156 37.860 38.000 0.026 0.000 1.102 349 I HN 0.126 nan 8.210 nan 0.000 0.433 350 Q N 0.047 119.882 119.800 0.058 0.000 2.181 350 Q HA -0.260 4.081 4.340 0.002 0.000 0.205 350 Q C 2.095 178.147 176.000 0.087 0.000 0.980 350 Q CA 1.824 57.661 55.803 0.057 0.000 0.862 350 Q CB -0.260 28.509 28.738 0.052 0.000 0.905 350 Q HN 0.516 nan 8.270 nan 0.000 0.429 351 Y N 0.383 120.666 120.300 -0.028 0.000 2.200 351 Y HA -0.159 4.392 4.550 0.002 0.000 0.290 351 Y C 2.125 178.001 175.900 -0.040 0.000 1.137 351 Y CA 1.307 59.386 58.100 -0.036 0.000 1.163 351 Y CB -0.299 38.141 38.460 -0.033 0.000 0.988 351 Y HN 0.064 nan 8.280 nan 0.000 0.518 352 A N -0.199 122.608 122.820 -0.022 0.000 1.970 352 A HA -0.061 4.261 4.320 0.002 0.000 0.216 352 A C 2.197 179.720 177.584 -0.100 0.000 1.170 352 A CA 1.068 53.042 52.037 -0.105 0.000 0.645 352 A CB -0.410 18.572 19.000 -0.030 0.000 0.816 352 A HN 0.417 nan 8.150 nan 0.000 0.447 353 K N -0.102 120.265 120.400 -0.055 0.000 2.103 353 K HA -0.170 4.151 4.320 0.002 0.000 0.207 353 K C 1.125 177.693 176.600 -0.054 0.000 1.048 353 K CA 1.651 57.913 56.287 -0.043 0.000 0.930 353 K CB -0.155 32.335 32.500 -0.017 0.000 0.716 353 K HN 0.432 nan 8.250 nan 0.000 0.444 354 D N 0.504 120.856 120.400 -0.081 0.000 2.162 354 D HA -0.030 4.611 4.640 0.002 0.000 0.205 354 D C 1.902 178.129 176.300 -0.122 0.000 0.964 354 D CA 0.710 54.657 54.000 -0.088 0.000 0.847 354 D CB -0.141 40.601 40.800 -0.096 0.000 0.988 354 D HN 0.119 nan 8.370 nan 0.000 0.480 355 I N 0.686 121.134 120.570 -0.203 0.000 2.208 355 I HA -0.226 3.945 4.170 0.002 0.000 0.245 355 I C 2.095 178.168 176.117 -0.073 0.000 1.097 355 I CA 0.840 62.010 61.300 -0.216 0.000 1.363 355 I CB -0.111 37.685 38.000 -0.341 0.000 1.051 355 I HN -0.051 nan 8.210 nan 0.000 0.413 356 L N -0.217 120.971 121.223 -0.058 0.000 2.456 356 L HA -0.174 4.167 4.340 0.002 0.000 0.224 356 L C 1.856 178.798 176.870 0.119 0.000 1.148 356 L CA 1.047 55.889 54.840 0.002 0.000 0.825 356 L CB -0.282 41.702 42.059 -0.125 0.000 0.937 356 L HN 0.358 nan 8.230 nan 0.000 0.450 357 Q N -1.573 118.262 119.800 0.058 0.000 2.185 357 Q HA 0.092 4.434 4.340 0.002 0.000 0.234 357 Q C 1.209 177.230 176.000 0.035 0.000 0.819 357 Q CA 0.038 55.884 55.803 0.071 0.000 0.961 357 Q CB 0.797 29.567 28.738 0.054 0.000 1.140 357 Q HN 0.294 nan 8.270 nan 0.000 0.492 358 K N -0.751 119.651 120.400 0.003 0.000 2.491 358 K HA 0.158 4.479 4.320 0.002 0.000 0.211 358 K C 0.874 177.449 176.600 -0.042 0.000 1.210 358 K CA 0.180 56.455 56.287 -0.021 0.000 1.003 358 K CB 1.063 33.535 32.500 -0.046 0.000 1.009 358 K HN -0.085 nan 8.250 nan 0.000 0.577 359 E N -0.164 120.011 120.200 -0.042 0.000 2.441 359 E HA 0.094 4.445 4.350 0.002 0.000 0.207 359 E C -0.376 176.255 176.600 0.052 0.000 0.803 359 E CA -0.120 56.251 56.400 -0.048 0.000 1.240 359 E CB 0.424 30.031 29.700 -0.156 0.000 1.233 359 E HN 0.032 nan 8.360 nan 0.000 0.590 360 F N 2.759 122.680 119.950 -0.049 0.000 2.506 360 F HA 0.202 4.730 4.527 0.002 0.000 0.371 360 F C 0.616 176.406 175.800 -0.016 0.000 1.078 360 F CA -0.692 57.295 58.000 -0.022 0.000 1.195 360 F CB 0.343 39.319 39.000 -0.040 0.000 1.099 360 F HN -0.063 nan 8.300 nan 0.000 0.548 361 L N 8.650 129.452 121.223 -0.703 0.000 3.887 361 L HA -0.203 4.138 4.340 0.002 0.000 0.546 361 L C -1.733 174.952 176.870 -0.308 0.000 1.196 361 L CA 0.157 54.642 54.840 -0.592 0.000 0.777 361 L CB -0.805 40.643 42.059 -1.019 0.000 1.346 361 L HN 0.628 nan 8.230 nan 0.000 0.810 362 P HA -0.142 nan 4.420 nan 0.000 0.230 362 P C 0.719 178.004 177.300 -0.026 0.000 1.158 362 P CA 1.375 64.457 63.100 -0.031 0.000 0.769 362 P CB -0.263 31.478 31.700 0.068 0.000 0.807 363 H N -0.415 118.564 119.070 -0.152 0.000 2.309 363 H HA 0.189 4.746 4.556 0.002 0.000 0.341 363 H C 1.448 176.649 175.328 -0.212 0.000 1.677 363 H CA -0.144 55.814 56.048 -0.151 0.000 1.440 363 H CB 0.357 30.038 29.762 -0.134 0.000 1.693 363 H HN -0.125 nan 8.280 nan 0.000 0.608 364 I N -2.049 118.261 120.570 -0.433 0.000 4.828 364 I HA -0.390 3.781 4.170 0.002 0.000 0.040 364 I C -0.107 175.804 176.117 -0.343 0.000 0.633 364 I CA 2.221 63.258 61.300 -0.438 0.000 0.495 364 I CB -1.668 35.949 38.000 -0.639 0.000 0.501 364 I HN 0.823 nan 8.210 nan 0.000 0.152 365 T N 0.120 114.442 114.554 -0.386 0.000 2.932 365 T HA 0.479 4.831 4.350 0.002 0.000 0.318 365 T C -0.506 174.058 174.700 -0.228 0.000 1.265 365 T CA -0.608 61.256 62.100 -0.393 0.000 1.036 365 T CB 2.372 70.723 68.868 -0.861 0.000 1.209 365 T HN 0.353 nan 8.240 nan 0.000 0.484 366 Q N 0.891 120.611 119.800 -0.133 0.000 2.135 366 Q HA 0.311 4.652 4.340 0.002 0.000 0.222 366 Q C 0.573 176.579 176.000 0.011 0.000 0.808 366 Q CA -0.302 55.477 55.803 -0.040 0.000 1.049 366 Q CB 0.476 29.212 28.738 -0.003 0.000 1.168 366 Q HN 0.432 nan 8.270 nan 0.000 0.483 367 L N 0.090 121.333 121.223 0.033 0.000 2.539 367 L HA 0.146 4.488 4.340 0.002 0.000 0.160 367 L C 1.431 178.396 176.870 0.158 0.000 1.447 367 L CA 1.321 56.236 54.840 0.125 0.000 3.093 367 L CB -0.337 41.858 42.059 0.226 0.000 2.998 367 L HN 0.216 nan 8.230 nan 0.000 1.023 368 E N -1.166 119.174 120.200 0.233 0.000 3.635 368 E HA 0.114 4.465 4.350 0.002 0.000 0.183 368 E C 1.002 177.686 176.600 0.141 0.000 1.263 368 E CA 0.317 56.805 56.400 0.147 0.000 1.427 368 E CB 0.053 29.797 29.700 0.075 0.000 1.724 368 E HN 0.546 nan 8.360 nan 0.000 0.520 369 G N 1.026 109.834 108.800 0.013 0.000 3.090 369 G HA2 0.141 4.102 3.960 0.002 0.000 0.259 369 G HA3 0.141 4.102 3.960 0.002 0.000 0.259 369 G C -0.462 174.139 174.900 -0.499 0.000 0.797 369 G CA 0.251 45.229 45.100 -0.202 0.000 2.032 369 G HN 0.059 nan 8.290 nan 0.000 0.614 370 F N -0.725 119.238 119.950 0.021 0.000 2.671 370 F HA 0.269 4.798 4.527 0.002 0.000 0.384 370 F C 1.266 177.088 175.800 0.037 0.000 1.351 370 F CA -0.486 57.529 58.000 0.025 0.000 1.151 370 F CB 0.946 39.949 39.000 0.005 0.000 1.147 370 F HN 0.170 nan 8.300 nan 0.000 0.513 371 E N -0.010 120.267 120.200 0.128 0.000 2.106 371 E HA -0.113 4.238 4.350 0.002 0.000 0.192 371 E C 2.083 178.741 176.600 0.095 0.000 0.984 371 E CA 1.466 57.919 56.400 0.090 0.000 0.806 371 E CB -0.007 29.714 29.700 0.036 0.000 0.750 371 E HN 0.185 nan 8.360 nan 0.000 0.458 372 S N 0.043 115.822 115.700 0.132 0.000 2.357 372 S HA -0.095 4.376 4.470 0.002 0.000 0.221 372 S C 1.905 176.708 174.600 0.337 0.000 1.031 372 S CA 0.876 59.205 58.200 0.216 0.000 0.982 372 S CB -0.141 63.219 63.200 0.265 0.000 0.853 372 S HN 0.164 nan 8.310 nan 0.000 0.458 373 R N 1.362 122.033 120.500 0.284 0.000 2.096 373 R HA -0.026 4.316 4.340 0.002 0.000 0.235 373 R C 2.016 178.467 176.300 0.250 0.000 1.127 373 R CA 1.275 57.527 56.100 0.252 0.000 0.968 373 R CB -0.054 30.386 30.300 0.234 0.000 0.861 373 R HN 0.270 nan 8.270 nan 0.000 0.440 374 K N -0.622 119.902 120.400 0.207 0.000 2.217 374 K HA -0.003 4.318 4.320 0.002 0.000 0.202 374 K C 1.948 178.701 176.600 0.254 0.000 1.051 374 K CA 0.916 57.318 56.287 0.190 0.000 0.952 374 K CB 0.093 32.710 32.500 0.196 0.000 0.736 374 K HN 0.178 nan 8.250 nan 0.000 0.453 375 A N 0.752 123.654 122.820 0.136 0.000 1.898 375 A HA -0.106 4.215 4.320 0.002 0.000 0.216 375 A C 1.857 179.507 177.584 0.110 0.000 1.181 375 A CA 1.117 53.095 52.037 -0.097 0.000 0.620 375 A CB -0.662 18.146 19.000 -0.319 0.000 0.819 375 A HN 0.186 nan 8.150 nan 0.000 0.442 376 F N -1.776 118.359 119.950 0.309 0.000 2.216 376 F HA -0.095 4.434 4.527 0.002 0.000 0.300 376 F C 2.003 178.186 175.800 0.637 0.000 1.085 376 F CA 1.400 59.651 58.000 0.418 0.000 1.326 376 F CB -0.395 38.586 39.000 -0.033 0.000 1.027 376 F HN 0.317 nan 8.300 nan 0.000 0.497 377 F N -0.203 120.122 119.950 0.626 0.000 2.146 377 F HA -0.174 4.354 4.527 0.002 0.000 0.298 377 F C 2.192 178.291 175.800 0.499 0.000 1.096 377 F CA 0.943 59.315 58.000 0.620 0.000 1.275 377 F CB -0.294 38.945 39.000 0.398 0.000 1.008 377 F HN -0.108 nan 8.300 nan 0.000 0.480 378 L N 0.218 121.788 121.223 0.579 0.000 2.083 378 L HA -0.014 4.327 4.340 0.002 0.000 0.209 378 L C 2.410 179.550 176.870 0.451 0.000 1.083 378 L CA 2.109 57.200 54.840 0.418 0.000 0.752 378 L CB -1.368 40.805 42.059 0.190 0.000 0.899 378 L HN 0.156 nan 8.230 nan 0.000 0.433 379 G N -1.780 107.374 108.800 0.590 0.000 2.408 379 G HA2 -0.370 3.591 3.960 0.002 0.000 0.217 379 G HA3 -0.370 3.591 3.960 0.002 0.000 0.217 379 G C 1.553 176.746 174.900 0.487 0.000 1.150 379 G CA 0.848 46.308 45.100 0.599 0.000 0.776 379 G HN 0.520 nan 8.290 nan 0.000 0.542 380 Y N 1.078 121.625 120.300 0.412 0.000 2.274 380 Y HA -0.058 4.493 4.550 0.002 0.000 0.290 380 Y C 2.783 178.745 175.900 0.102 0.000 1.145 380 Y CA 1.507 59.760 58.100 0.255 0.000 1.203 380 Y CB -0.100 38.405 38.460 0.075 0.000 0.984 380 Y HN 0.160 nan 8.280 nan 0.000 0.533 381 M N -0.652 119.007 119.600 0.098 0.000 2.077 381 M HA -0.184 4.298 4.480 0.002 0.000 0.261 381 M C 2.089 178.389 176.300 -0.000 0.000 1.070 381 M CA 2.027 57.329 55.300 0.003 0.000 1.125 381 M CB -0.514 32.172 32.600 0.144 0.000 1.339 381 M HN 0.213 nan 8.290 nan 0.000 0.409 382 I N 0.465 121.102 120.570 0.112 0.000 2.286 382 I HA -0.292 3.880 4.170 0.002 0.000 0.248 382 I C 2.223 178.368 176.117 0.046 0.000 1.115 382 I CA 1.201 62.561 61.300 0.101 0.000 1.392 382 I CB -0.786 37.317 38.000 0.171 0.000 1.065 382 I HN 0.389 nan 8.210 nan 0.000 0.418 383 N N 1.341 120.078 118.700 0.061 0.000 2.043 383 N HA -0.203 4.538 4.740 0.002 0.000 0.193 383 N C 2.021 177.483 175.510 -0.080 0.000 1.037 383 N CA 1.606 54.686 53.050 0.050 0.000 0.851 383 N CB -0.069 38.542 38.487 0.207 0.000 1.027 383 N HN 0.055 nan 8.380 nan 0.000 0.422 384 R N 0.170 120.527 120.500 -0.239 0.000 2.148 384 R HA -0.028 4.314 4.340 0.002 0.000 0.227 384 R C 2.155 178.353 176.300 -0.170 0.000 1.103 384 R CA 0.361 56.291 56.100 -0.285 0.000 0.983 384 R CB -0.783 29.223 30.300 -0.490 0.000 0.874 384 R HN 0.418 nan 8.270 nan 0.000 0.451 385 L N 0.542 121.695 121.223 -0.115 0.000 2.056 385 L HA -0.096 4.246 4.340 0.002 0.000 0.207 385 L C 1.968 178.782 176.870 -0.093 0.000 1.078 385 L CA 1.241 56.041 54.840 -0.065 0.000 0.749 385 L CB -0.089 41.965 42.059 -0.009 0.000 0.901 385 L HN 0.100 nan 8.230 nan 0.000 0.433 386 L N -0.777 120.395 121.223 -0.086 0.000 2.395 386 L HA -0.128 4.214 4.340 0.002 0.000 0.218 386 L C 2.191 178.985 176.870 -0.126 0.000 1.130 386 L CA -0.017 54.756 54.840 -0.112 0.000 0.826 386 L CB -0.293 41.727 42.059 -0.066 0.000 0.941 386 L HN 0.301 nan 8.230 nan 0.000 0.451 387 L N -0.952 120.206 121.223 -0.107 0.000 2.275 387 L HA -0.198 4.143 4.340 0.002 0.000 0.215 387 L C 2.093 178.903 176.870 -0.099 0.000 1.119 387 L CA 1.271 56.053 54.840 -0.098 0.000 0.790 387 L CB -0.643 41.358 42.059 -0.097 0.000 0.919 387 L HN 0.473 nan 8.230 nan 0.000 0.443 388 C N -1.512 117.718 119.300 -0.115 0.000 2.611 388 C HA 0.194 4.655 4.460 0.002 0.000 0.282 388 C C 2.847 177.714 174.990 -0.205 0.000 1.321 388 C CA 0.283 59.256 59.018 -0.074 0.000 1.747 388 C CB -0.215 27.558 27.740 0.055 0.000 2.124 388 C HN 0.554 nan 8.230 nan 0.000 0.531 389 A N 0.682 123.226 122.820 -0.459 0.000 1.969 389 A HA 0.020 4.342 4.320 0.002 0.000 0.218 389 A C 1.831 179.275 177.584 -0.233 0.000 1.169 389 A CA 1.262 52.955 52.037 -0.573 0.000 0.635 389 A CB -0.444 18.247 19.000 -0.515 0.000 0.810 389 A HN 0.616 nan 8.150 nan 0.000 0.445 390 L N -0.789 120.331 121.223 -0.172 0.000 2.592 390 L HA 0.082 4.423 4.340 0.002 0.000 0.227 390 L C -0.391 176.428 176.870 -0.085 0.000 1.127 390 L CA -0.061 54.706 54.840 -0.122 0.000 0.884 390 L CB -0.331 41.648 42.059 -0.134 0.000 1.065 390 L HN 0.238 nan 8.230 nan 0.000 0.457 391 D N 1.121 121.479 120.400 -0.069 0.000 2.705 391 D HA -0.186 4.455 4.640 0.002 0.000 0.240 391 D C 1.048 177.326 176.300 -0.036 0.000 1.137 391 D CA 0.602 54.584 54.000 -0.031 0.000 0.677 391 D CB -0.481 40.313 40.800 -0.010 0.000 1.049 391 D HN 0.436 nan 8.370 nan 0.000 0.427 392 R N -0.533 119.938 120.500 -0.048 0.000 2.279 392 R HA 0.119 4.461 4.340 0.002 0.000 0.195 392 R C 0.824 177.101 176.300 -0.038 0.000 0.905 392 R CA 0.174 56.248 56.100 -0.044 0.000 1.044 392 R CB 0.767 31.034 30.300 -0.055 0.000 1.056 392 R HN -0.074 nan 8.270 nan 0.000 0.535 393 K N 0.828 121.204 120.400 -0.039 0.000 2.435 393 K HA 0.241 4.562 4.320 0.002 0.000 0.251 393 K C -1.181 175.407 176.600 -0.020 0.000 0.954 393 K CA -0.645 55.620 56.287 -0.036 0.000 0.820 393 K CB 2.037 34.503 32.500 -0.057 0.000 1.292 393 K HN -0.092 nan 8.250 nan 0.000 0.436 394 D N 1.700 122.092 120.400 -0.014 0.000 2.357 394 D HA -0.034 4.607 4.640 0.002 0.000 0.242 394 D C 0.328 176.631 176.300 0.006 0.000 1.153 394 D CA 0.150 54.153 54.000 0.006 0.000 0.918 394 D CB 0.836 41.644 40.800 0.013 0.000 1.181 394 D HN 0.260 nan 8.370 nan 0.000 0.435 395 Q N 1.410 121.230 119.800 0.034 0.000 2.274 395 Q HA -0.064 4.277 4.340 0.002 0.000 0.280 395 Q C -0.407 175.621 176.000 0.046 0.000 1.047 395 Q CA -0.192 55.639 55.803 0.047 0.000 0.907 395 Q CB 0.620 29.408 28.738 0.083 0.000 1.171 395 Q HN 0.277 nan 8.270 nan 0.000 0.381 396 D N 3.603 123.996 120.400 -0.012 0.000 2.434 396 D HA -0.070 4.572 4.640 0.002 0.000 0.252 396 D C -0.685 175.700 176.300 0.142 0.000 1.185 396 D CA 0.292 54.279 54.000 -0.021 0.000 0.886 396 D CB 0.539 41.219 40.800 -0.200 0.000 1.148 396 D HN 0.524 nan 8.370 nan 0.000 0.483 397 D N 3.252 123.724 120.400 0.119 0.000 2.383 397 D HA 0.008 4.649 4.640 0.002 0.000 0.252 397 D C 1.110 177.501 176.300 0.152 0.000 1.166 397 D CA -0.086 54.010 54.000 0.161 0.000 0.879 397 D CB 0.670 41.588 40.800 0.196 0.000 1.164 397 D HN 0.390 nan 8.370 nan 0.000 0.462 398 R N 2.072 122.660 120.500 0.146 0.000 2.276 398 R HA -0.018 4.323 4.340 0.002 0.000 0.203 398 R C 0.005 176.311 176.300 0.009 0.000 1.017 398 R CA 0.637 56.797 56.100 0.099 0.000 1.010 398 R CB 0.460 30.770 30.300 0.018 0.000 0.900 398 R HN 0.425 nan 8.270 nan 0.000 0.469 399 D N -0.610 119.749 120.400 -0.070 0.000 2.892 399 D HA 0.007 4.649 4.640 0.002 0.000 0.291 399 D C 0.349 176.298 176.300 -0.586 0.000 1.341 399 D CA -0.025 53.823 54.000 -0.253 0.000 0.844 399 D CB 0.301 40.973 40.800 -0.214 0.000 1.093 399 D HN 0.229 nan 8.370 nan 0.000 0.480 400 H N -0.338 118.537 119.070 -0.325 0.000 2.547 400 H HA -0.045 4.513 4.556 0.002 0.000 0.266 400 H C 0.937 176.238 175.328 -0.046 0.000 0.988 400 H CA 0.114 56.032 56.048 -0.218 0.000 1.147 400 H CB 0.164 29.889 29.762 -0.063 0.000 1.365 400 H HN 0.151 nan 8.280 nan 0.000 0.589 401 F N -0.676 119.148 119.950 -0.211 0.000 2.592 401 F HA -0.415 4.113 4.527 0.002 0.000 0.643 401 F C 2.008 177.781 175.800 -0.045 0.000 0.490 401 F CA 2.060 59.973 58.000 -0.146 0.000 0.714 401 F CB -1.269 37.605 39.000 -0.209 0.000 1.611 401 F HN 0.266 nan 8.300 nan 0.000 0.258 402 G N -0.813 108.062 108.800 0.125 0.000 2.443 402 G HA2 -0.188 3.774 3.960 0.002 0.000 0.219 402 G HA3 -0.188 3.774 3.960 0.002 0.000 0.219 402 G C 1.242 176.104 174.900 -0.062 0.000 1.131 402 G CA 0.962 46.102 45.100 0.067 0.000 0.775 402 G HN 0.390 nan 8.290 nan 0.000 0.547 403 K N 0.194 120.577 120.400 -0.029 0.000 2.520 403 K HA 0.277 4.599 4.320 0.002 0.000 0.205 403 K C 0.151 176.667 176.600 -0.140 0.000 1.035 403 K CA 0.191 56.423 56.287 -0.092 0.000 1.188 403 K CB 0.357 32.838 32.500 -0.031 0.000 0.894 403 K HN 0.150 nan 8.250 nan 0.000 0.497 404 K N 0.460 120.723 120.400 -0.229 0.000 2.422 404 K HA 0.414 4.736 4.320 0.002 0.000 0.251 404 K C -0.643 175.750 176.600 -0.345 0.000 0.933 404 K CA -0.999 55.124 56.287 -0.273 0.000 0.798 404 K CB 1.890 34.211 32.500 -0.299 0.000 1.238 404 K HN -0.153 nan 8.250 nan 0.000 0.428 405 R N 1.931 122.278 120.500 -0.255 0.000 2.803 405 R HA 0.535 4.877 4.340 0.002 0.000 0.276 405 R C -0.686 175.503 176.300 -0.185 0.000 0.978 405 R CA -0.883 55.084 56.100 -0.222 0.000 0.939 405 R CB 1.065 31.266 30.300 -0.164 0.000 1.179 405 R HN 0.512 nan 8.270 nan 0.000 0.472 406 L N 2.214 123.344 121.223 -0.155 0.000 2.298 406 L HA 0.348 4.689 4.340 0.002 0.000 0.284 406 L C -0.435 176.386 176.870 -0.082 0.000 1.013 406 L CA -0.822 53.949 54.840 -0.114 0.000 0.824 406 L CB 1.501 43.501 42.059 -0.099 0.000 1.221 406 L HN 0.258 nan 8.230 nan 0.000 0.418 407 D N 4.991 125.343 120.400 -0.080 0.000 2.277 407 D HA 0.573 5.214 4.640 0.002 0.000 0.249 407 D C -0.075 176.186 176.300 -0.064 0.000 1.134 407 D CA 0.059 54.023 54.000 -0.060 0.000 0.863 407 D CB 1.858 42.620 40.800 -0.062 0.000 1.143 407 D HN 0.379 nan 8.370 nan 0.000 0.458 408 L N -1.107 120.098 121.223 -0.030 0.000 2.205 408 L HA 0.794 5.135 4.340 0.002 0.000 0.242 408 L C 1.453 178.341 176.870 0.030 0.000 1.115 408 L CA -1.040 53.791 54.840 -0.015 0.000 0.987 408 L CB 0.401 42.456 42.059 -0.007 0.000 1.568 408 L HN 0.236 nan 8.230 nan 0.000 0.450 409 A N 0.521 123.389 122.820 0.079 0.000 1.899 409 A HA -0.276 4.045 4.320 0.002 0.000 0.230 409 A C 1.920 179.516 177.584 0.019 0.000 1.593 409 A CA 3.589 55.713 52.037 0.145 0.000 0.728 409 A CB -2.225 16.958 19.000 0.306 0.000 0.848 409 A HN 1.158 nan 8.150 nan 0.000 0.490 410 G N -0.552 108.263 108.800 0.026 0.000 2.666 410 G HA2 -0.126 3.835 3.960 0.002 0.000 0.215 410 G HA3 -0.126 3.835 3.960 0.002 0.000 0.215 410 G C -0.076 174.781 174.900 -0.072 0.000 1.294 410 G CA 1.380 46.449 45.100 -0.052 0.000 0.811 410 G HN 0.534 nan 8.290 nan 0.000 0.594 411 P HA -0.098 nan 4.420 nan 0.000 0.218 411 P C 2.052 179.398 177.300 0.077 0.000 1.146 411 P CA 0.981 64.116 63.100 0.058 0.000 0.820 411 P CB -0.129 31.595 31.700 0.040 0.000 0.778 412 L N -1.368 119.908 121.223 0.088 0.000 2.044 412 L HA -0.105 4.236 4.340 0.002 0.000 0.205 412 L C 2.774 179.795 176.870 0.251 0.000 1.075 412 L CA 1.164 56.179 54.840 0.291 0.000 0.747 412 L CB -0.923 41.318 42.059 0.304 0.000 0.903 412 L HN -0.099 nan 8.230 nan 0.000 0.435 413 L N -0.455 120.725 121.223 -0.072 0.000 2.191 413 L HA -0.172 4.170 4.340 0.002 0.000 0.212 413 L C 2.776 179.586 176.870 -0.101 0.000 1.103 413 L CA 0.914 55.567 54.840 -0.311 0.000 0.769 413 L CB -0.580 40.931 42.059 -0.914 0.000 0.908 413 L HN 0.239 nan 8.230 nan 0.000 0.438 414 A N -0.750 122.075 122.820 0.009 0.000 1.930 414 A HA -0.256 4.066 4.320 0.002 0.000 0.217 414 A C 2.265 179.960 177.584 0.185 0.000 1.175 414 A CA 1.547 53.737 52.037 0.256 0.000 0.627 414 A CB -0.444 18.697 19.000 0.234 0.000 0.815 414 A HN 0.462 nan 8.150 nan 0.000 0.443 415 Q N -0.541 119.341 119.800 0.136 0.000 2.119 415 Q HA -0.090 4.251 4.340 0.002 0.000 0.201 415 Q C 1.974 178.006 176.000 0.053 0.000 0.972 415 Q CA 1.246 57.121 55.803 0.121 0.000 0.847 415 Q CB -0.149 28.705 28.738 0.194 0.000 0.903 415 Q HN 0.707 nan 8.270 nan 0.000 0.433 416 L N -0.710 120.487 121.223 -0.044 0.000 2.044 416 L HA -0.117 4.225 4.340 0.002 0.000 0.205 416 L C 2.258 179.119 176.870 -0.015 0.000 1.075 416 L CA 0.830 55.569 54.840 -0.168 0.000 0.747 416 L CB -0.462 41.337 42.059 -0.432 0.000 0.903 416 L HN 0.227 nan 8.230 nan 0.000 0.435 417 F N 0.983 120.912 119.950 -0.036 0.000 2.126 417 F HA -0.249 4.279 4.527 0.002 0.000 0.299 417 F C 2.557 178.396 175.800 0.064 0.000 1.096 417 F CA 1.656 59.675 58.000 0.032 0.000 1.255 417 F CB -0.061 39.007 39.000 0.113 0.000 0.997 417 F HN -0.118 nan 8.300 nan 0.000 0.479 418 K N -0.694 119.857 120.400 0.252 0.000 2.032 418 K HA -0.175 4.146 4.320 0.002 0.000 0.209 418 K C 1.922 178.574 176.600 0.086 0.000 1.048 418 K CA 2.152 58.545 56.287 0.177 0.000 0.927 418 K CB -0.609 31.969 32.500 0.130 0.000 0.712 418 K HN 0.257 nan 8.250 nan 0.000 0.441 419 T N 1.775 116.349 114.554 0.033 0.000 2.777 419 T HA -0.084 4.268 4.350 0.002 0.000 0.266 419 T C 1.930 176.599 174.700 -0.052 0.000 1.040 419 T CA 0.998 63.093 62.100 -0.008 0.000 1.141 419 T CB -0.134 68.726 68.868 -0.013 0.000 0.868 419 T HN 0.087 nan 8.240 nan 0.000 0.444 420 L N -0.361 120.805 121.223 -0.095 0.000 2.072 420 L HA 0.085 4.426 4.340 0.002 0.000 0.205 420 L C 2.256 179.018 176.870 -0.180 0.000 1.079 420 L CA 1.051 55.798 54.840 -0.156 0.000 0.752 420 L CB -0.445 41.486 42.059 -0.214 0.000 0.906 420 L HN 0.174 nan 8.230 nan 0.000 0.436 421 F N 0.867 120.587 119.950 -0.383 0.000 2.234 421 F HA -0.155 4.373 4.527 0.002 0.000 0.299 421 F C 2.341 178.031 175.800 -0.182 0.000 1.087 421 F CA 1.418 59.194 58.000 -0.374 0.000 1.340 421 F CB -0.096 38.631 39.000 -0.455 0.000 1.031 421 F HN -0.143 nan 8.300 nan 0.000 0.500 422 K N 0.146 120.456 120.400 -0.150 0.000 2.148 422 K HA -0.172 4.149 4.320 0.002 0.000 0.204 422 K C 2.170 178.670 176.600 -0.168 0.000 1.050 422 K CA 1.188 57.377 56.287 -0.162 0.000 0.942 422 K CB -0.171 32.308 32.500 -0.034 0.000 0.724 422 K HN 0.192 nan 8.250 nan 0.000 0.446 423 K N 1.038 121.352 120.400 -0.143 0.000 2.148 423 K HA -0.125 4.196 4.320 0.002 0.000 0.204 423 K C 2.093 178.605 176.600 -0.146 0.000 1.050 423 K CA 0.732 56.949 56.287 -0.117 0.000 0.942 423 K CB 0.021 32.464 32.500 -0.095 0.000 0.724 423 K HN 0.008 nan 8.250 nan 0.000 0.446 424 L N 1.051 122.136 121.223 -0.229 0.000 2.056 424 L HA -0.120 4.222 4.340 0.002 0.000 0.207 424 L C 1.912 178.624 176.870 -0.263 0.000 1.078 424 L CA 1.863 56.551 54.840 -0.253 0.000 0.749 424 L CB -0.617 41.247 42.059 -0.326 0.000 0.901 424 L HN 0.112 nan 8.230 nan 0.000 0.433 425 T N 0.440 114.761 114.554 -0.389 0.000 2.720 425 T HA -0.229 4.122 4.350 0.002 0.000 0.268 425 T C 1.637 176.330 174.700 -0.012 0.000 1.037 425 T CA 1.960 63.909 62.100 -0.251 0.000 1.144 425 T CB -0.315 68.375 68.868 -0.297 0.000 0.864 425 T HN 0.575 nan 8.240 nan 0.000 0.444 426 K N 0.696 121.087 120.400 -0.014 0.000 2.418 426 K HA 0.051 4.372 4.320 0.002 0.000 0.195 426 K C 1.239 177.886 176.600 0.078 0.000 1.035 426 K CA 0.913 57.239 56.287 0.065 0.000 1.003 426 K CB 0.122 32.609 32.500 -0.023 0.000 0.793 426 K HN 0.103 nan 8.250 nan 0.000 0.494 427 D N 1.477 121.888 120.400 0.019 0.000 2.234 427 D HA 0.028 4.670 4.640 0.002 0.000 0.205 427 D C 1.850 178.192 176.300 0.070 0.000 0.962 427 D CA 0.737 54.755 54.000 0.030 0.000 0.855 427 D CB 0.093 40.879 40.800 -0.023 0.000 0.951 427 D HN 0.282 nan 8.370 nan 0.000 0.500 428 I N -0.110 120.490 120.570 0.050 0.000 2.439 428 I HA -0.191 3.980 4.170 0.002 0.000 0.251 428 I C 2.085 178.268 176.117 0.110 0.000 1.139 428 I CA 0.437 61.766 61.300 0.049 0.000 1.438 428 I CB -0.123 37.882 38.000 0.009 0.000 1.085 428 I HN -0.139 nan 8.210 nan 0.000 0.427 429 F N 1.782 121.741 119.950 0.014 0.000 2.146 429 F HA -0.094 4.434 4.527 0.002 0.000 0.298 429 F C 2.479 178.300 175.800 0.035 0.000 1.096 429 F CA 1.510 59.518 58.000 0.013 0.000 1.275 429 F CB -0.266 38.727 39.000 -0.012 0.000 1.008 429 F HN -0.145 nan 8.300 nan 0.000 0.480 430 R N -1.619 119.055 120.500 0.289 0.000 2.339 430 R HA -0.158 4.183 4.340 0.002 0.000 0.199 430 R C 1.475 177.878 176.300 0.170 0.000 1.018 430 R CA 0.637 56.846 56.100 0.182 0.000 1.036 430 R CB -0.399 29.965 30.300 0.107 0.000 0.899 430 R HN 0.423 nan 8.270 nan 0.000 0.473 431 Y N -0.090 120.248 120.300 0.063 0.000 2.353 431 Y HA 0.062 4.613 4.550 0.002 0.000 0.294 431 Y C 1.936 177.856 175.900 0.034 0.000 1.135 431 Y CA 0.881 59.007 58.100 0.043 0.000 1.176 431 Y CB 0.188 38.672 38.460 0.041 0.000 1.124 431 Y HN -0.148 nan 8.280 nan 0.000 0.537 432 M N 0.107 119.775 119.600 0.114 0.000 2.394 432 M HA -0.169 4.312 4.480 0.002 0.000 0.264 432 M C 1.774 178.051 176.300 -0.039 0.000 1.073 432 M CA 1.421 56.712 55.300 -0.014 0.000 1.111 432 M CB -0.129 32.419 32.600 -0.086 0.000 1.401 432 M HN 0.349 nan 8.290 nan 0.000 0.448 433 Q N -0.002 119.817 119.800 0.031 0.000 2.230 433 Q HA -0.063 4.278 4.340 0.002 0.000 0.202 433 Q C 1.853 177.843 176.000 -0.017 0.000 0.963 433 Q CA 0.948 56.779 55.803 0.047 0.000 0.866 433 Q CB 0.061 28.869 28.738 0.116 0.000 0.931 433 Q HN 0.507 nan 8.270 nan 0.000 0.452 434 R N 0.013 120.471 120.500 -0.071 0.000 2.240 434 R HA 0.055 4.397 4.340 0.002 0.000 0.203 434 R C 0.284 176.504 176.300 -0.133 0.000 1.011 434 R CA 0.410 56.450 56.100 -0.101 0.000 1.007 434 R CB 0.260 30.484 30.300 -0.127 0.000 0.911 434 R HN 0.046 nan 8.270 nan 0.000 0.468 435 T N 0.960 115.413 114.554 -0.167 0.000 2.799 435 T HA 0.093 4.445 4.350 0.002 0.000 0.296 435 T C 1.027 175.681 174.700 -0.077 0.000 0.947 435 T CA -0.125 61.886 62.100 -0.148 0.000 1.141 435 T CB 1.839 70.621 68.868 -0.144 0.000 0.891 435 T HN -0.126 nan 8.240 nan 0.000 0.533 436 V N 2.323 122.200 119.914 -0.062 0.000 3.578 436 V HA 0.118 4.240 4.120 0.002 0.000 0.290 436 V C 1.146 177.224 176.094 -0.027 0.000 1.376 436 V CA 0.229 62.506 62.300 -0.038 0.000 1.083 436 V CB -0.799 31.005 31.823 -0.032 0.000 0.911 436 V HN 0.892 nan 8.190 nan 0.000 0.433 437 E N 0.253 120.436 120.200 -0.027 0.000 2.678 437 E HA 0.607 4.959 4.350 0.002 0.000 0.204 437 E C 0.652 177.257 176.600 0.008 0.000 0.743 437 E CA -0.547 55.846 56.400 -0.011 0.000 1.082 437 E CB 1.155 30.847 29.700 -0.014 0.000 1.721 437 E HN 0.006 nan 8.360 nan 0.000 0.390 438 E N -0.007 120.209 120.200 0.027 0.000 3.034 438 E HA 0.379 4.730 4.350 0.002 0.000 0.237 438 E C -0.877 175.785 176.600 0.103 0.000 1.117 438 E CA 0.424 56.866 56.400 0.069 0.000 0.969 438 E CB 0.063 29.787 29.700 0.040 0.000 2.998 438 E HN 0.779 nan 8.360 nan 0.000 0.581 439 A N 1.057 123.903 122.820 0.044 0.000 2.136 439 A HA -0.220 4.101 4.320 0.002 0.000 0.274 439 A C 0.022 177.523 177.584 -0.138 0.000 1.388 439 A CA 1.415 53.438 52.037 -0.023 0.000 0.741 439 A CB -2.094 16.873 19.000 -0.055 0.000 1.173 439 A HN 0.619 nan 8.150 nan 0.000 0.329 440 H N -0.769 118.311 119.070 0.017 0.000 3.838 440 H HA 0.067 4.625 4.556 0.002 0.000 0.255 440 H C 0.551 175.891 175.328 0.020 0.000 1.074 440 H CA 0.575 56.629 56.048 0.010 0.000 1.143 440 H CB 0.540 30.285 29.762 -0.029 0.000 1.479 440 H HN 0.863 nan 8.280 nan 0.000 0.644 441 D N 0.601 121.085 120.400 0.140 0.000 2.697 441 D HA -0.244 4.398 4.640 0.002 0.000 0.238 441 D C -0.756 175.704 176.300 0.267 0.000 1.152 441 D CA 0.439 54.545 54.000 0.177 0.000 0.666 441 D CB -2.209 38.666 40.800 0.124 0.000 1.037 441 D HN 0.329 nan 8.370 nan 0.000 0.423 442 F N -0.997 118.993 119.950 0.067 0.000 2.526 442 F HA -0.332 4.196 4.527 0.002 0.000 0.225 442 F C 0.894 176.724 175.800 0.050 0.000 1.031 442 F CA 1.426 59.451 58.000 0.042 0.000 0.915 442 F CB -1.156 37.859 39.000 0.026 0.000 0.952 442 F HN 0.600 nan 8.300 nan 0.000 0.834 443 N N 0.935 119.717 118.700 0.135 0.000 3.925 443 N HA -0.162 4.579 4.740 0.002 0.000 0.278 443 N C -0.207 175.387 175.510 0.139 0.000 2.104 443 N CA 0.787 53.914 53.050 0.128 0.000 2.544 443 N CB -0.346 38.219 38.487 0.131 0.000 0.490 443 N HN 0.448 nan 8.380 nan 0.000 0.551 444 M N 3.421 123.106 119.600 0.142 0.000 3.207 444 M HA 0.288 4.769 4.480 0.002 0.000 0.202 444 M C 0.765 177.117 176.300 0.086 0.000 1.730 444 M CA 1.189 56.550 55.300 0.102 0.000 1.461 444 M CB -0.168 32.469 32.600 0.062 0.000 1.013 444 M HN 0.617 nan 8.290 nan 0.000 0.592 445 K N -0.414 120.029 120.400 0.072 0.000 2.443 445 K HA 0.345 4.666 4.320 0.002 0.000 0.200 445 K C 0.345 176.931 176.600 -0.024 0.000 1.278 445 K CA -0.035 56.299 56.287 0.078 0.000 0.925 445 K CB 1.210 33.768 32.500 0.097 0.000 1.225 445 K HN 0.307 nan 8.250 nan 0.000 0.514 446 L N 0.946 122.153 121.223 -0.027 0.000 3.660 446 L HA -0.317 4.024 4.340 0.002 0.000 0.440 446 L C 0.507 177.282 176.870 -0.157 0.000 1.262 446 L CA 0.357 55.164 54.840 -0.055 0.000 0.837 446 L CB -0.999 41.043 42.059 -0.027 0.000 1.689 446 L HN 0.367 nan 8.230 nan 0.000 0.890 447 A N -0.962 121.709 122.820 -0.248 0.000 2.242 447 A HA 0.449 4.770 4.320 0.002 0.000 0.205 447 A C 0.651 178.067 177.584 -0.281 0.000 1.353 447 A CA -0.115 51.607 52.037 -0.525 0.000 1.005 447 A CB 0.469 18.855 19.000 -1.023 0.000 1.127 447 A HN 0.281 nan 8.150 nan 0.000 0.498 448 I N 2.260 122.737 120.570 -0.154 0.000 2.337 448 I HA 0.109 4.280 4.170 0.002 0.000 0.291 448 I C -0.092 175.978 176.117 -0.078 0.000 1.046 448 I CA -0.420 60.819 61.300 -0.102 0.000 1.324 448 I CB 0.698 38.653 38.000 -0.075 0.000 1.409 448 I HN 0.162 nan 8.210 nan 0.000 0.494 449 N N 5.858 124.514 118.700 -0.073 0.000 2.508 449 N HA 0.207 4.948 4.740 0.002 0.000 0.253 449 N C 0.824 176.287 175.510 -0.079 0.000 1.145 449 N CA -0.067 52.952 53.050 -0.052 0.000 0.973 449 N CB 1.124 39.589 38.487 -0.037 0.000 1.305 449 N HN 0.694 nan 8.380 nan 0.000 0.506 450 A N 3.541 126.312 122.820 -0.082 0.000 2.248 450 A HA -0.083 4.238 4.320 0.002 0.000 0.210 450 A C 2.003 179.521 177.584 -0.111 0.000 1.174 450 A CA 0.779 52.710 52.037 -0.176 0.000 0.750 450 A CB -0.304 18.519 19.000 -0.295 0.000 0.780 450 A HN 0.697 nan 8.150 nan 0.000 0.478 451 K N -0.535 119.840 120.400 -0.043 0.000 2.228 451 K HA -0.078 4.244 4.320 0.002 0.000 0.202 451 K C 1.692 178.263 176.600 -0.048 0.000 1.051 451 K CA 1.458 57.733 56.287 -0.020 0.000 0.960 451 K CB -0.120 32.380 32.500 0.000 0.000 0.743 451 K HN 0.471 nan 8.250 nan 0.000 0.458 452 T N 1.285 115.795 114.554 -0.074 0.000 2.746 452 T HA -0.132 4.219 4.350 0.002 0.000 0.267 452 T C 1.710 176.345 174.700 -0.107 0.000 1.039 452 T CA 1.445 63.492 62.100 -0.089 0.000 1.142 452 T CB -0.146 68.662 68.868 -0.100 0.000 0.866 452 T HN 0.140 nan 8.240 nan 0.000 0.444 453 I N 1.234 121.723 120.570 -0.135 0.000 2.406 453 I HA -0.046 4.125 4.170 0.002 0.000 0.249 453 I C 2.634 178.700 176.117 -0.086 0.000 1.122 453 I CA 1.001 62.207 61.300 -0.157 0.000 1.431 453 I CB -1.036 36.835 38.000 -0.215 0.000 1.087 453 I HN 0.139 nan 8.210 nan 0.000 0.424 454 T N 0.332 114.849 114.554 -0.062 0.000 2.639 454 T HA -0.156 4.196 4.350 0.002 0.000 0.261 454 T C 2.115 176.823 174.700 0.014 0.000 1.053 454 T CA 2.051 64.150 62.100 -0.002 0.000 1.158 454 T CB -0.480 68.406 68.868 0.029 0.000 0.863 454 T HN 0.527 nan 8.240 nan 0.000 0.413 455 S N 1.257 116.959 115.700 0.005 0.000 2.428 455 S HA 0.045 4.516 4.470 0.002 0.000 0.230 455 S C 2.367 176.986 174.600 0.031 0.000 1.014 455 S CA 1.093 59.305 58.200 0.021 0.000 0.957 455 S CB -0.994 62.208 63.200 0.002 0.000 0.784 455 S HN 0.514 nan 8.310 nan 0.000 0.499 456 G N 2.080 110.875 108.800 -0.009 0.000 2.421 456 G HA2 -0.037 3.924 3.960 0.002 0.000 0.216 456 G HA3 -0.037 3.924 3.960 0.002 0.000 0.216 456 G C 1.436 176.328 174.900 -0.013 0.000 1.171 456 G CA 0.893 45.988 45.100 -0.008 0.000 0.775 456 G HN 0.512 nan 8.290 nan 0.000 0.543 457 L N -0.227 120.971 121.223 -0.043 0.000 2.156 457 L HA 0.032 4.374 4.340 0.002 0.000 0.208 457 L C 2.936 179.777 176.870 -0.048 0.000 1.095 457 L CA 0.901 55.694 54.840 -0.078 0.000 0.770 457 L CB -0.215 41.830 42.059 -0.022 0.000 0.914 457 L HN 0.155 nan 8.230 nan 0.000 0.439 458 K N -0.646 119.766 120.400 0.020 0.000 2.026 458 K HA -0.232 4.089 4.320 0.002 0.000 0.208 458 K C 2.168 178.806 176.600 0.063 0.000 1.048 458 K CA 1.715 58.031 56.287 0.048 0.000 0.929 458 K CB -0.320 32.223 32.500 0.072 0.000 0.713 458 K HN 0.168 nan 8.250 nan 0.000 0.439 459 Y N 1.333 121.613 120.300 -0.033 0.000 2.224 459 Y HA -0.197 4.355 4.550 0.002 0.000 0.289 459 Y C 2.060 177.949 175.900 -0.020 0.000 1.146 459 Y CA 1.197 59.285 58.100 -0.020 0.000 1.182 459 Y CB -0.313 38.131 38.460 -0.027 0.000 0.983 459 Y HN 0.039 nan 8.280 nan 0.000 0.524 460 A N 0.052 122.768 122.820 -0.173 0.000 1.873 460 A HA -0.115 4.206 4.320 0.002 0.000 0.215 460 A C 1.882 179.410 177.584 -0.094 0.000 1.186 460 A CA 1.802 53.665 52.037 -0.290 0.000 0.616 460 A CB -1.019 17.647 19.000 -0.556 0.000 0.823 460 A HN 0.437 nan 8.150 nan 0.000 0.442 461 L N -0.726 120.444 121.223 -0.088 0.000 2.599 461 L HA 0.176 4.517 4.340 0.002 0.000 0.230 461 L C 2.276 179.153 176.870 0.012 0.000 1.141 461 L CA 1.012 55.858 54.840 0.010 0.000 0.877 461 L CB -0.064 41.938 42.059 -0.095 0.000 1.009 461 L HN 0.384 nan 8.230 nan 0.000 0.447 462 A N -2.134 120.665 122.820 -0.035 0.000 2.220 462 A HA 0.172 4.494 4.320 0.002 0.000 0.211 462 A C 1.767 179.317 177.584 -0.058 0.000 1.176 462 A CA 1.121 53.143 52.037 -0.025 0.000 0.834 462 A CB -0.090 18.907 19.000 -0.005 0.000 0.868 462 A HN 0.349 nan 8.150 nan 0.000 0.488 463 T N -3.111 111.375 114.554 -0.113 0.000 3.358 463 T HA 0.453 4.804 4.350 0.002 0.000 0.263 463 T C 1.328 176.005 174.700 -0.037 0.000 0.998 463 T CA 0.781 62.811 62.100 -0.116 0.000 1.130 463 T CB 0.445 69.146 68.868 -0.277 0.000 1.165 463 T HN 1.244 nan 8.240 nan 0.000 0.426 464 G N 1.965 110.789 108.800 0.040 0.000 2.198 464 G HA2 -0.143 3.818 3.960 0.002 0.000 0.156 464 G HA3 -0.143 3.818 3.960 0.002 0.000 0.156 464 G C -0.371 174.668 174.900 0.231 0.000 1.012 464 G CA -0.634 44.545 45.100 0.131 0.000 0.692 464 G HN 0.356 nan 8.290 nan 0.000 0.492 465 N N 1.443 120.232 118.700 0.149 0.000 2.508 465 N HA 0.226 4.968 4.740 0.002 0.000 0.253 465 N C 1.010 176.714 175.510 0.322 0.000 1.145 465 N CA -0.325 52.825 53.050 0.166 0.000 0.973 465 N CB 0.198 38.710 38.487 0.042 0.000 1.305 465 N HN 0.546 nan 8.380 nan 0.000 0.506 466 W N 1.565 122.847 121.300 -0.030 0.000 2.345 466 W HA -0.089 4.572 4.660 0.002 0.000 0.315 466 W C 1.992 178.526 176.519 0.025 0.000 1.116 466 W CA 0.682 58.022 57.345 -0.009 0.000 1.239 466 W CB -0.664 28.784 29.460 -0.021 0.000 1.217 466 W HN 0.510 nan 8.180 nan 0.000 0.455 467 G N 0.752 109.719 108.800 0.278 0.000 3.719 467 G HA2 -0.399 3.562 3.960 0.002 0.000 0.266 467 G HA3 -0.399 3.562 3.960 0.002 0.000 0.266 467 G C 0.020 174.977 174.900 0.095 0.000 0.902 467 G CA 2.017 47.209 45.100 0.153 0.000 0.775 467 G HN 0.370 nan 8.290 nan 0.000 1.342 468 E N -0.349 119.906 120.200 0.092 0.000 3.074 468 E HA 0.441 4.792 4.350 0.002 0.000 0.287 468 E C 0.577 177.226 176.600 0.083 0.000 1.194 468 E CA 0.402 56.838 56.400 0.061 0.000 0.836 468 E CB -0.111 29.612 29.700 0.039 0.000 1.468 468 E HN 0.606 nan 8.360 nan 0.000 0.383 469 Q N 1.063 120.949 119.800 0.143 0.000 1.920 469 Q HA -0.420 3.922 4.340 0.002 0.000 0.239 469 Q C 0.748 176.918 176.000 0.283 0.000 2.739 469 Q CA 2.639 58.587 55.803 0.242 0.000 0.504 469 Q CB -1.098 27.612 28.738 -0.046 0.000 0.891 469 Q HN 0.529 nan 8.270 nan 0.000 0.524 470 K N 2.084 122.558 120.400 0.122 0.000 2.569 470 K HA 0.196 4.518 4.320 0.002 0.000 0.193 470 K C 0.538 177.204 176.600 0.110 0.000 1.026 470 K CA 0.489 56.847 56.287 0.117 0.000 1.093 470 K CB 0.231 32.761 32.500 0.050 0.000 0.849 470 K HN 0.094 nan 8.250 nan 0.000 0.509 471 K N 0.542 121.015 120.400 0.122 0.000 2.761 471 K HA 0.423 4.744 4.320 0.002 0.000 0.286 471 K C -0.456 176.202 176.600 0.097 0.000 1.019 471 K CA -0.403 55.942 56.287 0.097 0.000 1.070 471 K CB 0.731 33.288 32.500 0.096 0.000 1.387 471 K HN 0.120 nan 8.250 nan 0.000 0.509 472 A N 1.783 124.651 122.820 0.079 0.000 2.815 472 A HA 0.407 4.729 4.320 0.002 0.000 0.318 472 A C -0.813 176.799 177.584 0.046 0.000 1.186 472 A CA -0.658 51.422 52.037 0.072 0.000 0.754 472 A CB -0.297 18.760 19.000 0.095 0.000 1.151 472 A HN 0.652 nan 8.150 nan 0.000 0.452 473 M N 0.623 120.245 119.600 0.038 0.000 2.215 473 M HA 0.386 4.867 4.480 0.002 0.000 0.251 473 M C -0.089 176.230 176.300 0.032 0.000 0.987 473 M CA -0.374 54.950 55.300 0.042 0.000 1.025 473 M CB 1.522 34.148 32.600 0.042 0.000 2.064 473 M HN 0.359 nan 8.290 nan 0.000 0.473 474 S N 0.254 115.974 115.700 0.033 0.000 2.540 474 S HA 0.127 4.598 4.470 0.002 0.000 0.218 474 S C 0.511 175.134 174.600 0.039 0.000 0.977 474 S CA 0.200 58.426 58.200 0.043 0.000 0.918 474 S CB -0.131 63.096 63.200 0.045 0.000 0.806 474 S HN 0.806 nan 8.310 nan 0.000 0.496 475 S N 1.366 117.083 115.700 0.028 0.000 2.891 475 S HA 0.605 5.076 4.470 0.002 0.000 0.186 475 S C -0.315 174.292 174.600 0.012 0.000 1.401 475 S CA -0.784 57.428 58.200 0.020 0.000 1.035 475 S CB -0.216 62.993 63.200 0.015 0.000 1.293 475 S HN 0.396 nan 8.310 nan 0.000 0.493 476 R N 0.629 121.137 120.500 0.013 0.000 2.867 476 R HA 0.487 4.828 4.340 0.002 0.000 0.288 476 R C 0.025 176.322 176.300 -0.005 0.000 1.360 476 R CA -0.054 56.045 56.100 -0.001 0.000 1.042 476 R CB 1.021 31.320 30.300 -0.003 0.000 1.287 476 R HN 0.534 nan 8.270 nan 0.000 0.404 477 A N 0.936 123.744 122.820 -0.021 0.000 2.538 477 A HA 0.810 5.131 4.320 0.002 0.000 0.214 477 A C 1.278 178.809 177.584 -0.089 0.000 2.355 477 A CA 0.832 52.847 52.037 -0.036 0.000 1.493 477 A CB -0.548 18.440 19.000 -0.021 0.000 1.143 477 A HN 0.808 nan 8.150 nan 0.000 0.452 478 G N -1.657 107.095 108.800 -0.080 0.000 3.329 478 G HA2 -0.245 3.716 3.960 0.002 0.000 0.220 478 G HA3 -0.245 3.716 3.960 0.002 0.000 0.220 478 G C 0.580 175.399 174.900 -0.135 0.000 1.358 478 G CA 0.470 45.511 45.100 -0.099 0.000 0.856 478 G HN 1.368 nan 8.290 nan 0.000 0.551 479 V N 1.054 120.832 119.914 -0.227 0.000 3.185 479 V HA 0.534 4.655 4.120 0.002 0.000 0.305 479 V C 1.408 177.388 176.094 -0.189 0.000 1.090 479 V CA 1.012 63.127 62.300 -0.308 0.000 1.107 479 V CB 1.098 32.523 31.823 -0.663 0.000 1.061 479 V HN 2.245 nan 8.190 nan 0.000 0.480 480 S N 1.440 117.056 115.700 -0.139 0.000 3.551 480 S HA -0.156 4.315 4.470 0.002 0.000 0.547 480 S C -0.404 174.202 174.600 0.010 0.000 0.699 480 S CA 0.470 58.660 58.200 -0.017 0.000 1.399 480 S CB -0.839 62.393 63.200 0.054 0.000 0.922 480 S HN 0.843 nan 8.310 nan 0.000 0.818 481 Q N 2.040 121.868 119.800 0.045 0.000 2.301 481 Q HA 0.652 4.993 4.340 0.002 0.000 0.267 481 Q C 0.371 176.425 176.000 0.089 0.000 1.035 481 Q CA -0.724 55.128 55.803 0.081 0.000 0.856 481 Q CB 1.910 30.740 28.738 0.154 0.000 1.337 481 Q HN 0.678 nan 8.270 nan 0.000 0.450 482 V N 0.052 119.974 119.914 0.013 0.000 2.673 482 V HA 0.092 4.213 4.120 0.002 0.000 0.303 482 V C 0.086 176.084 176.094 -0.160 0.000 1.046 482 V CA -0.744 61.518 62.300 -0.064 0.000 1.126 482 V CB -0.138 31.628 31.823 -0.096 0.000 0.934 482 V HN 0.610 nan 8.190 nan 0.000 0.487 483 L N 4.258 125.360 121.223 -0.202 0.000 2.513 483 L HA 0.284 4.626 4.340 0.002 0.000 0.272 483 L C 0.395 176.961 176.870 -0.506 0.000 1.187 483 L CA 0.460 55.123 54.840 -0.296 0.000 0.895 483 L CB -0.419 41.426 42.059 -0.358 0.000 1.147 483 L HN 0.832 nan 8.230 nan 0.000 0.483 484 N N 3.657 121.960 118.700 -0.662 0.000 2.427 484 N HA 0.152 4.893 4.740 0.002 0.000 0.269 484 N C 0.167 175.311 175.510 -0.610 0.000 1.235 484 N CA 0.277 52.892 53.050 -0.725 0.000 0.934 484 N CB 0.285 38.446 38.487 -0.544 0.000 1.121 484 N HN 0.399 nan 8.380 nan 0.000 0.480 485 R N 2.005 121.987 120.500 -0.862 0.000 2.616 485 R HA 0.243 4.585 4.340 0.002 0.000 0.427 485 R C 0.040 175.931 176.300 -0.681 0.000 1.030 485 R CA -0.115 55.581 56.100 -0.674 0.000 1.133 485 R CB -0.243 29.624 30.300 -0.721 0.000 1.444 485 R HN 0.637 nan 8.270 nan 0.000 0.578 486 Y N -1.677 118.475 120.300 -0.246 0.000 2.220 486 Y HA 0.148 4.700 4.550 0.002 0.000 0.291 486 Y C 0.587 176.481 175.900 -0.011 0.000 1.129 486 Y CA 0.647 58.648 58.100 -0.164 0.000 1.161 486 Y CB 0.480 38.877 38.460 -0.105 0.000 0.997 486 Y HN -0.190 nan 8.280 nan 0.000 0.522 487 T N -2.020 112.645 114.554 0.186 0.000 2.900 487 T HA 0.092 4.444 4.350 0.002 0.000 0.303 487 T C -0.321 174.517 174.700 0.230 0.000 1.142 487 T CA -0.752 61.492 62.100 0.239 0.000 1.007 487 T CB 1.544 70.547 68.868 0.225 0.000 1.156 487 T HN 0.074 nan 8.240 nan 0.000 0.490 488 Y N 2.607 122.999 120.300 0.152 0.000 2.207 488 Y HA -0.206 4.345 4.550 0.002 0.000 0.287 488 Y C 2.616 178.586 175.900 0.117 0.000 1.156 488 Y CA 2.448 60.618 58.100 0.118 0.000 1.182 488 Y CB -0.365 38.132 38.460 0.061 0.000 0.979 488 Y HN 0.725 nan 8.280 nan 0.000 0.521 489 S N -1.699 114.095 115.700 0.157 0.000 2.368 489 S HA -0.239 4.232 4.470 0.002 0.000 0.225 489 S C 2.291 176.888 174.600 -0.005 0.000 1.030 489 S CA 1.345 59.597 58.200 0.087 0.000 0.999 489 S CB -1.160 62.188 63.200 0.246 0.000 0.844 489 S HN 0.472 nan 8.310 nan 0.000 0.459 490 S N 1.200 116.924 115.700 0.040 0.000 2.402 490 S HA -0.094 4.377 4.470 0.002 0.000 0.229 490 S C 1.864 176.453 174.600 -0.020 0.000 1.021 490 S CA 1.646 59.864 58.200 0.030 0.000 0.974 490 S CB -1.182 62.070 63.200 0.087 0.000 0.800 490 S HN 0.703 nan 8.310 nan 0.000 0.484 491 T N 2.905 117.410 114.554 -0.082 0.000 2.708 491 T HA -0.017 4.334 4.350 0.002 0.000 0.266 491 T C 1.685 176.335 174.700 -0.084 0.000 1.037 491 T CA 1.653 63.688 62.100 -0.108 0.000 1.146 491 T CB -0.445 68.337 68.868 -0.143 0.000 0.865 491 T HN 0.366 nan 8.240 nan 0.000 0.435 492 L N 0.739 121.858 121.223 -0.174 0.000 2.141 492 L HA -0.047 4.294 4.340 0.002 0.000 0.209 492 L C 2.823 179.667 176.870 -0.043 0.000 1.094 492 L CA 0.879 55.644 54.840 -0.124 0.000 0.763 492 L CB -0.553 41.396 42.059 -0.183 0.000 0.908 492 L HN 0.243 nan 8.230 nan 0.000 0.437 493 S N -1.397 114.289 115.700 -0.025 0.000 2.406 493 S HA -0.204 4.267 4.470 0.002 0.000 0.228 493 S C 2.073 176.692 174.600 0.031 0.000 1.020 493 S CA 0.780 58.981 58.200 0.002 0.000 0.965 493 S CB -0.299 62.906 63.200 0.009 0.000 0.798 493 S HN 0.500 nan 8.310 nan 0.000 0.488 494 H N 0.195 119.234 119.070 -0.051 0.000 2.462 494 H HA 0.122 4.679 4.556 0.002 0.000 0.292 494 H C 1.838 177.145 175.328 -0.036 0.000 1.049 494 H CA 1.132 57.152 56.048 -0.047 0.000 1.334 494 H CB 0.034 29.756 29.762 -0.066 0.000 1.404 494 H HN 0.361 nan 8.280 nan 0.000 0.544 495 L N 0.245 121.461 121.223 -0.011 0.000 2.240 495 L HA -0.026 4.315 4.340 0.002 0.000 0.211 495 L C 1.084 177.919 176.870 -0.058 0.000 1.106 495 L CA 0.823 55.644 54.840 -0.032 0.000 0.793 495 L CB 0.141 42.213 42.059 0.021 0.000 0.927 495 L HN 0.044 nan 8.230 nan 0.000 0.446 496 R N 0.049 120.518 120.500 -0.052 0.000 3.760 496 R HA 0.297 4.638 4.340 0.002 0.000 0.310 496 R C -0.188 176.072 176.300 -0.066 0.000 1.414 496 R CA -0.154 55.917 56.100 -0.049 0.000 1.410 496 R CB 0.383 30.669 30.300 -0.024 0.000 1.459 496 R HN 0.090 nan 8.270 nan 0.000 0.663 497 R N 0.153 120.590 120.500 -0.105 0.000 2.854 497 R HA 0.484 4.825 4.340 0.002 0.000 0.271 497 R C -1.010 175.226 176.300 -0.107 0.000 0.996 497 R CA -0.443 55.589 56.100 -0.114 0.000 0.961 497 R CB 2.092 32.288 30.300 -0.174 0.000 1.182 497 R HN 0.035 nan 8.270 nan 0.000 0.479 498 T N 1.824 116.328 114.554 -0.084 0.000 2.921 498 T HA 0.257 4.608 4.350 0.002 0.000 0.297 498 T C -1.101 173.558 174.700 -0.069 0.000 1.013 498 T CA -0.803 61.255 62.100 -0.069 0.000 0.990 498 T CB 1.314 70.165 68.868 -0.028 0.000 1.023 498 T HN 0.466 nan 8.240 nan 0.000 0.447 499 N N 1.555 120.206 118.700 -0.082 0.000 2.473 499 N HA 0.298 5.039 4.740 0.002 0.000 0.291 499 N C -0.925 174.548 175.510 -0.061 0.000 1.083 499 N CA -0.260 52.745 53.050 -0.075 0.000 0.951 499 N CB 1.333 39.763 38.487 -0.096 0.000 1.164 499 N HN 0.493 nan 8.380 nan 0.000 0.480 500 T N 4.338 118.866 114.554 -0.045 0.000 3.253 500 T HA 0.275 4.626 4.350 0.002 0.000 0.391 500 T C -2.500 172.177 174.700 -0.039 0.000 1.527 500 T CA -1.123 60.958 62.100 -0.032 0.000 1.268 500 T CB 0.890 69.756 68.868 -0.002 0.000 1.126 500 T HN 0.406 nan 8.240 nan 0.000 0.620 501 P HA -0.116 nan 4.420 nan 0.000 0.228 501 P C 0.509 177.786 177.300 -0.039 0.000 1.031 501 P CA 0.195 63.263 63.100 -0.053 0.000 0.917 501 P CB -0.346 31.320 31.700 -0.056 0.000 0.847 502 I N 1.833 122.382 120.570 -0.036 0.000 2.845 502 I HA -0.071 4.101 4.170 0.002 0.000 0.296 502 I C 1.792 177.893 176.117 -0.027 0.000 1.216 502 I CA 0.473 61.756 61.300 -0.029 0.000 1.438 502 I CB 0.517 38.500 38.000 -0.028 0.000 1.342 502 I HN 0.464 nan 8.210 nan 0.000 0.577 503 G N 6.852 115.637 108.800 -0.024 0.000 2.875 503 G HA2 -0.378 3.583 3.960 0.002 0.000 0.227 503 G HA3 -0.378 3.583 3.960 0.002 0.000 0.227 503 G C 1.418 176.302 174.900 -0.026 0.000 1.259 503 G CA 1.438 46.523 45.100 -0.026 0.000 0.780 503 G HN 0.872 nan 8.290 nan 0.000 0.685 504 R N 0.278 120.765 120.500 -0.023 0.000 3.326 504 R HA -0.213 4.128 4.340 0.002 0.000 0.498 504 R C 0.332 176.619 176.300 -0.021 0.000 0.551 504 R CA 2.136 58.224 56.100 -0.020 0.000 0.262 504 R CB -2.140 28.149 30.300 -0.018 0.000 0.586 504 R HN 0.489 nan 8.270 nan 0.000 0.234 505 D N 1.048 121.436 120.400 -0.020 0.000 2.371 505 D HA 0.220 4.861 4.640 0.002 0.000 0.256 505 D C 0.901 177.188 176.300 -0.021 0.000 1.193 505 D CA 1.200 55.189 54.000 -0.018 0.000 0.881 505 D CB 0.444 41.235 40.800 -0.014 0.000 1.143 505 D HN 0.586 nan 8.370 nan 0.000 0.473 506 G N 3.142 111.929 108.800 -0.020 0.000 2.473 506 G HA2 -0.317 3.644 3.960 0.002 0.000 0.307 506 G HA3 -0.317 3.644 3.960 0.002 0.000 0.307 506 G C 0.357 175.239 174.900 -0.031 0.000 0.937 506 G CA 1.119 46.206 45.100 -0.023 0.000 0.947 506 G HN 0.574 nan 8.290 nan 0.000 0.513 507 K N -0.812 119.565 120.400 -0.040 0.000 2.575 507 K HA 0.487 4.808 4.320 0.002 0.000 0.255 507 K C -1.178 175.385 176.600 -0.063 0.000 0.953 507 K CA -1.068 55.185 56.287 -0.056 0.000 0.840 507 K CB 0.986 33.455 32.500 -0.051 0.000 1.303 507 K HN 0.614 nan 8.250 nan 0.000 0.438 508 L N 1.284 122.456 121.223 -0.085 0.000 2.446 508 L HA 0.809 5.150 4.340 0.002 0.000 0.268 508 L C -0.374 176.431 176.870 -0.108 0.000 0.975 508 L CA -0.417 54.374 54.840 -0.081 0.000 0.848 508 L CB 1.578 43.599 42.059 -0.064 0.000 1.225 508 L HN 0.631 nan 8.230 nan 0.000 0.410 509 A N 3.526 126.293 122.820 -0.088 0.000 3.774 509 A HA 0.910 5.231 4.320 0.002 0.000 0.171 509 A C -0.156 177.404 177.584 -0.040 0.000 1.655 509 A CA 0.114 52.107 52.037 -0.073 0.000 1.543 509 A CB 0.561 19.526 19.000 -0.058 0.000 1.659 509 A HN 0.794 nan 8.150 nan 0.000 0.636 510 K N -0.018 120.372 120.400 -0.017 0.000 2.800 510 K HA 0.327 4.649 4.320 0.002 0.000 0.275 510 K C -3.159 173.450 176.600 0.014 0.000 1.294 510 K CA -0.962 55.322 56.287 -0.005 0.000 1.014 510 K CB 0.495 32.992 32.500 -0.005 0.000 1.380 510 K HN 0.483 nan 8.250 nan 0.000 0.543 511 P HA 0.508 nan 4.420 nan 0.000 0.346 511 P C -0.098 177.229 177.300 0.045 0.000 1.303 511 P CA -0.226 62.899 63.100 0.041 0.000 0.801 511 P CB 0.794 32.515 31.700 0.035 0.000 1.827 512 R N -2.831 117.703 120.500 0.057 0.000 2.178 512 R HA -0.087 4.254 4.340 0.002 0.000 0.329 512 R C 1.277 177.594 176.300 0.029 0.000 0.298 512 R CA 0.920 57.038 56.100 0.031 0.000 1.449 512 R CB -1.438 28.869 30.300 0.010 0.000 1.691 512 R HN 0.759 nan 8.270 nan 0.000 0.243 513 Q N 0.919 120.761 119.800 0.070 0.000 2.846 513 Q HA 0.543 4.884 4.340 0.002 0.000 0.185 513 Q C -0.273 175.783 176.000 0.094 0.000 1.105 513 Q CA -0.694 55.143 55.803 0.057 0.000 0.724 513 Q CB 0.399 29.175 28.738 0.063 0.000 4.033 513 Q HN 0.061 nan 8.270 nan 0.000 0.373 514 L N 1.877 123.176 121.223 0.128 0.000 2.297 514 L HA 0.289 4.630 4.340 0.002 0.000 0.277 514 L C -0.702 176.346 176.870 0.296 0.000 1.040 514 L CA -0.254 54.717 54.840 0.219 0.000 0.867 514 L CB 0.532 42.646 42.059 0.091 0.000 1.244 514 L HN 0.594 nan 8.230 nan 0.000 0.433 515 H N 1.993 121.288 119.070 0.375 0.000 2.679 515 H HA 0.082 4.639 4.556 0.002 0.000 0.369 515 H C 0.571 175.892 175.328 -0.011 0.000 1.178 515 H CA 0.111 56.178 56.048 0.033 0.000 1.419 515 H CB 1.177 30.806 29.762 -0.223 0.000 1.458 515 H HN 0.580 nan 8.280 nan 0.000 0.605 516 N N 0.694 119.263 118.700 -0.219 0.000 2.137 516 N HA -0.178 4.564 4.740 0.002 0.000 0.190 516 N C 1.742 177.275 175.510 0.038 0.000 1.017 516 N CA 2.191 55.201 53.050 -0.068 0.000 0.859 516 N CB -0.448 37.945 38.487 -0.156 0.000 1.002 516 N HN 0.665 nan 8.380 nan 0.000 0.428 517 T N -3.158 111.436 114.554 0.067 0.000 3.072 517 T HA -0.035 4.316 4.350 0.002 0.000 0.266 517 T C 1.217 175.786 174.700 -0.218 0.000 1.127 517 T CA 0.778 62.823 62.100 -0.092 0.000 1.107 517 T CB -0.551 68.184 68.868 -0.221 0.000 0.910 517 T HN 0.395 nan 8.240 nan 0.000 0.513 518 H N -0.735 118.253 119.070 -0.136 0.000 2.563 518 H HA 0.128 4.685 4.556 0.002 0.000 0.272 518 H C 0.669 175.884 175.328 -0.189 0.000 1.005 518 H CA -0.340 55.498 56.048 -0.350 0.000 1.171 518 H CB 0.041 29.673 29.762 -0.215 0.000 1.351 518 H HN 0.450 nan 8.280 nan 0.000 0.602 519 W N 1.644 122.879 121.300 -0.107 0.000 2.322 519 W HA 0.088 4.750 4.660 0.002 0.000 0.328 519 W C 0.715 177.182 176.519 -0.088 0.000 1.395 519 W CA 1.356 58.656 57.345 -0.074 0.000 1.267 519 W CB 0.087 29.514 29.460 -0.054 0.000 1.259 519 W HN 0.487 nan 8.180 nan 0.000 0.560 520 G N 4.248 112.719 108.800 -0.549 0.000 2.196 520 G HA2 -0.348 3.614 3.960 0.002 0.000 0.268 520 G HA3 -0.348 3.614 3.960 0.002 0.000 0.268 520 G C 0.471 175.257 174.900 -0.190 0.000 0.975 520 G CA 0.804 45.669 45.100 -0.392 0.000 0.648 520 G HN 0.587 nan 8.290 nan 0.000 0.538 521 L N -1.694 119.421 121.223 -0.181 0.000 2.663 521 L HA 0.407 4.749 4.340 0.002 0.000 0.218 521 L C 0.743 177.522 176.870 -0.151 0.000 1.043 521 L CA 0.133 54.890 54.840 -0.139 0.000 0.876 521 L CB 0.453 42.437 42.059 -0.126 0.000 1.263 521 L HN 0.061 nan 8.230 nan 0.000 0.486 522 V N -0.035 119.746 119.914 -0.222 0.000 2.555 522 V HA 0.219 4.340 4.120 0.002 0.000 0.302 522 V C -0.259 175.725 176.094 -0.183 0.000 1.038 522 V CA -1.194 60.991 62.300 -0.191 0.000 0.887 522 V CB 2.284 33.943 31.823 -0.274 0.000 0.991 522 V HN 0.287 nan 8.190 nan 0.000 0.434 523 C N 8.306 127.518 119.300 -0.147 0.000 2.633 523 C HA 0.186 4.647 4.460 0.002 0.000 0.415 523 C C -0.037 174.876 174.990 -0.128 0.000 1.393 523 C CA -0.668 58.273 59.018 -0.129 0.000 1.700 523 C CB 0.162 27.845 27.740 -0.096 0.000 2.541 523 C HN 0.850 nan 8.230 nan 0.000 0.603 524 P HA -0.000 nan 4.420 nan 0.000 0.225 524 P C 0.911 178.182 177.300 -0.049 0.000 1.156 524 P CA 1.983 65.039 63.100 -0.072 0.000 0.787 524 P CB 0.123 31.792 31.700 -0.053 0.000 0.802 525 A N -0.134 122.657 122.820 -0.049 0.000 1.963 525 A HA 0.059 4.380 4.320 0.002 0.000 0.207 525 A C 1.311 178.869 177.584 -0.043 0.000 1.243 525 A CA 0.010 52.029 52.037 -0.030 0.000 0.728 525 A CB -0.670 18.320 19.000 -0.016 0.000 0.895 525 A HN 0.126 nan 8.150 nan 0.000 0.467 526 E N 1.014 121.180 120.200 -0.057 0.000 2.220 526 E HA 0.355 4.706 4.350 0.002 0.000 0.272 526 E C -0.771 175.788 176.600 -0.068 0.000 1.099 526 E CA 0.194 56.560 56.400 -0.058 0.000 0.907 526 E CB 0.196 29.863 29.700 -0.054 0.000 1.022 526 E HN 0.239 nan 8.360 nan 0.000 0.428 527 T N 4.953 119.466 114.554 -0.069 0.000 3.159 527 T HA 0.299 4.651 4.350 0.002 0.000 0.343 527 T C -2.826 171.824 174.700 -0.083 0.000 1.364 527 T CA -1.533 60.523 62.100 -0.074 0.000 1.102 527 T CB 1.256 70.078 68.868 -0.077 0.000 1.263 527 T HN 0.260 nan 8.240 nan 0.000 0.477 528 P HA 0.189 nan 4.420 nan 0.000 0.266 528 P C -0.542 176.692 177.300 -0.110 0.000 1.195 528 P CA 0.008 63.059 63.100 -0.081 0.000 0.768 528 P CB 0.413 32.080 31.700 -0.055 0.000 0.838 529 E N 1.567 121.679 120.200 -0.147 0.000 2.265 529 E HA 0.330 4.682 4.350 0.002 0.000 0.272 529 E C 1.175 177.705 176.600 -0.115 0.000 1.067 529 E CA 0.226 56.515 56.400 -0.185 0.000 0.900 529 E CB -0.083 29.455 29.700 -0.270 0.000 1.017 529 E HN 0.732 nan 8.360 nan 0.000 0.431 530 G N 3.267 112.011 108.800 -0.094 0.000 2.569 530 G HA2 -0.467 3.495 3.960 0.002 0.000 0.259 530 G HA3 -0.467 3.495 3.960 0.002 0.000 0.259 530 G C 0.613 175.484 174.900 -0.049 0.000 1.263 530 G CA 0.492 45.556 45.100 -0.060 0.000 0.928 530 G HN 0.843 nan 8.290 nan 0.000 0.572 531 Q N -2.797 116.981 119.800 -0.038 0.000 2.525 531 Q HA -0.317 4.024 4.340 0.002 0.000 0.429 531 Q C 1.657 177.639 176.000 -0.030 0.000 1.198 531 Q CA 3.266 59.050 55.803 -0.031 0.000 0.960 531 Q CB -1.754 26.965 28.738 -0.031 0.000 1.570 531 Q HN 2.540 nan 8.270 nan 0.000 1.009 532 A N 0.375 123.176 122.820 -0.033 0.000 3.106 532 A HA 0.454 4.775 4.320 0.002 0.000 0.306 532 A C -0.033 177.529 177.584 -0.036 0.000 1.192 532 A CA 0.007 52.026 52.037 -0.031 0.000 0.994 532 A CB 0.246 19.228 19.000 -0.029 0.000 1.107 532 A HN 0.574 nan 8.150 nan 0.000 0.585 533 C N 0.204 119.480 119.300 -0.040 0.000 2.648 533 C HA 0.455 4.916 4.460 0.002 0.000 0.419 533 C C 1.897 176.864 174.990 -0.039 0.000 1.352 533 C CA 1.646 60.636 59.018 -0.047 0.000 1.816 533 C CB -1.186 26.524 27.740 -0.051 0.000 2.598 533 C HN 1.803 nan 8.230 nan 0.000 0.598 534 G N 4.462 113.233 108.800 -0.048 0.000 2.234 534 G HA2 -0.271 3.690 3.960 0.002 0.000 0.260 534 G HA3 -0.271 3.690 3.960 0.002 0.000 0.260 534 G C 0.524 175.400 174.900 -0.040 0.000 0.987 534 G CA 0.675 45.746 45.100 -0.049 0.000 0.625 534 G HN 0.766 nan 8.290 nan 0.000 0.532 535 L N 0.338 121.541 121.223 -0.033 0.000 2.509 535 L HA 0.340 4.681 4.340 0.002 0.000 0.222 535 L C 0.710 177.558 176.870 -0.036 0.000 1.123 535 L CA 0.261 55.084 54.840 -0.027 0.000 0.856 535 L CB 0.515 42.558 42.059 -0.026 0.000 0.985 535 L HN 0.133 nan 8.230 nan 0.000 0.456 536 V N 1.281 121.168 119.914 -0.045 0.000 2.357 536 V HA 0.331 4.452 4.120 0.002 0.000 0.284 536 V C -0.167 175.891 176.094 -0.060 0.000 1.018 536 V CA -0.765 61.505 62.300 -0.049 0.000 0.841 536 V CB 1.323 33.120 31.823 -0.043 0.000 0.991 536 V HN 0.052 nan 8.190 nan 0.000 0.437 537 K N 3.611 123.977 120.400 -0.057 0.000 2.203 537 K HA 0.536 4.857 4.320 0.002 0.000 0.251 537 K C -0.802 175.761 176.600 -0.060 0.000 0.944 537 K CA -0.609 55.636 56.287 -0.070 0.000 0.829 537 K CB 2.157 34.630 32.500 -0.045 0.000 1.125 537 K HN 0.513 nan 8.250 nan 0.000 0.430 538 N N 2.412 121.069 118.700 -0.071 0.000 2.392 538 N HA 0.296 5.038 4.740 0.002 0.000 0.283 538 N C -0.360 175.114 175.510 -0.060 0.000 1.003 538 N CA -0.558 52.456 53.050 -0.060 0.000 0.892 538 N CB 1.597 40.051 38.487 -0.056 0.000 1.193 538 N HN 0.246 nan 8.380 nan 0.000 0.487 539 L N 1.570 122.767 121.223 -0.044 0.000 2.485 539 L HA 0.071 4.412 4.340 0.002 0.000 0.275 539 L C 1.090 177.928 176.870 -0.054 0.000 1.207 539 L CA 0.180 54.995 54.840 -0.042 0.000 0.855 539 L CB 0.371 42.408 42.059 -0.036 0.000 1.114 539 L HN 0.405 nan 8.230 nan 0.000 0.485 540 S N 2.020 117.675 115.700 -0.075 0.000 2.593 540 S HA 0.162 4.633 4.470 0.002 0.000 0.269 540 S C 1.360 175.930 174.600 -0.051 0.000 1.334 540 S CA -0.666 57.483 58.200 -0.085 0.000 1.015 540 S CB 0.906 64.025 63.200 -0.134 0.000 0.912 540 S HN 0.457 nan 8.310 nan 0.000 0.541 541 L N 1.188 122.403 121.223 -0.013 0.000 2.083 541 L HA -0.136 4.205 4.340 0.002 0.000 0.209 541 L C 2.164 179.022 176.870 -0.020 0.000 1.083 541 L CA 1.093 55.989 54.840 0.092 0.000 0.752 541 L CB -0.312 41.880 42.059 0.221 0.000 0.899 541 L HN 0.633 nan 8.230 nan 0.000 0.433 542 M N -0.634 118.829 119.600 -0.228 0.000 2.514 542 M HA 0.056 4.538 4.480 0.002 0.000 0.258 542 M C 1.151 177.272 176.300 -0.299 0.000 1.119 542 M CA 0.293 55.252 55.300 -0.568 0.000 1.111 542 M CB -0.662 31.549 32.600 -0.648 0.000 1.390 542 M HN 0.233 nan 8.290 nan 0.000 0.475 543 S N 0.382 115.968 115.700 -0.189 0.000 2.549 543 S HA 0.336 4.808 4.470 0.002 0.000 0.279 543 S C -0.029 174.410 174.600 -0.267 0.000 1.321 543 S CA -0.773 57.303 58.200 -0.207 0.000 1.054 543 S CB 0.872 63.985 63.200 -0.146 0.000 0.899 543 S HN 0.366 nan 8.310 nan 0.000 0.497 544 C N 2.856 121.816 119.300 -0.566 0.000 2.802 544 C HA 0.602 5.064 4.460 0.002 0.000 0.307 544 C C 0.107 174.584 174.990 -0.854 0.000 1.222 544 C CA -1.043 57.573 59.018 -0.669 0.000 1.580 544 C CB 0.774 28.086 27.740 -0.714 0.000 2.119 544 C HN 0.917 nan 8.230 nan 0.000 0.479 545 I N 2.273 122.594 120.570 -0.414 0.000 2.396 545 I HA 0.289 4.460 4.170 0.002 0.000 0.292 545 I C 0.756 176.880 176.117 0.012 0.000 0.999 545 I CA 0.268 61.449 61.300 -0.197 0.000 1.310 545 I CB 1.177 39.121 38.000 -0.092 0.000 1.404 545 I HN 0.788 nan 8.210 nan 0.000 0.496 546 S N 4.785 120.594 115.700 0.183 0.000 2.516 546 S HA 0.083 4.554 4.470 0.002 0.000 0.282 546 S C 0.523 175.183 174.600 0.099 0.000 1.286 546 S CA -0.667 57.687 58.200 0.256 0.000 1.066 546 S CB 1.476 64.784 63.200 0.180 0.000 0.884 546 S HN 0.547 nan 8.310 nan 0.000 0.491 547 V N 3.687 123.649 119.914 0.080 0.000 3.506 547 V HA 0.381 4.502 4.120 0.002 0.000 0.263 547 V C 1.208 177.304 176.094 0.003 0.000 1.203 547 V CA 1.257 63.577 62.300 0.033 0.000 1.133 547 V CB -0.988 30.850 31.823 0.024 0.000 0.802 547 V HN 1.596 nan 8.190 nan 0.000 0.459 548 G N 0.175 108.975 108.800 0.001 0.000 2.728 548 G HA2 -0.131 3.830 3.960 0.002 0.000 0.686 548 G HA3 -0.131 3.830 3.960 0.002 0.000 0.686 548 G C -0.213 174.657 174.900 -0.051 0.000 1.337 548 G CA -0.111 44.981 45.100 -0.013 0.000 0.861 548 G HN 0.566 nan 8.290 nan 0.000 0.597 549 T N -0.030 114.498 114.554 -0.044 0.000 2.442 549 T HA 0.680 5.032 4.350 0.002 0.000 0.196 549 T C -0.821 173.852 174.700 -0.045 0.000 0.744 549 T CA 0.377 62.431 62.100 -0.076 0.000 1.320 549 T CB 1.158 69.984 68.868 -0.070 0.000 1.899 549 T HN 0.843 nan 8.240 nan 0.000 0.464 550 D N 1.493 121.874 120.400 -0.031 0.000 2.757 550 D HA 0.473 5.115 4.640 0.002 0.000 0.249 550 D C -1.849 174.454 176.300 0.005 0.000 1.168 550 D CA -2.181 51.816 54.000 -0.006 0.000 0.870 550 D CB 2.014 42.813 40.800 -0.003 0.000 1.411 550 D HN 0.044 nan 8.370 nan 0.000 0.525 551 P HA -0.033 nan 4.420 nan 0.000 0.227 551 P C 1.585 178.889 177.300 0.006 0.000 1.161 551 P CA 0.544 63.657 63.100 0.022 0.000 0.788 551 P CB 0.294 32.022 31.700 0.046 0.000 0.822 552 M N 0.692 120.298 119.600 0.009 0.000 2.080 552 M HA -0.080 4.401 4.480 0.002 0.000 0.260 552 M C -0.498 175.813 176.300 0.018 0.000 1.068 552 M CA 2.571 57.876 55.300 0.009 0.000 1.109 552 M CB -2.124 30.487 32.600 0.017 0.000 1.342 552 M HN -0.013 nan 8.290 nan 0.000 0.405 553 P HA -0.022 nan 4.420 nan 0.000 0.239 553 P C 0.853 178.176 177.300 0.039 0.000 1.184 553 P CA 1.169 64.281 63.100 0.021 0.000 0.760 553 P CB -0.110 31.583 31.700 -0.011 0.000 0.884 554 I N -1.310 119.286 120.570 0.044 0.000 3.039 554 I HA 0.033 4.204 4.170 0.002 0.000 0.270 554 I C 2.471 178.664 176.117 0.127 0.000 1.150 554 I CA 0.399 61.756 61.300 0.094 0.000 1.448 554 I CB -0.408 37.615 38.000 0.038 0.000 1.197 554 I HN -0.254 nan 8.210 nan 0.000 0.450 555 I N 0.508 121.087 120.570 0.017 0.000 2.179 555 I HA -0.275 3.897 4.170 0.002 0.000 0.242 555 I C 2.269 178.380 176.117 -0.009 0.000 1.088 555 I CA 1.680 62.934 61.300 -0.077 0.000 1.357 555 I CB -0.673 37.195 38.000 -0.221 0.000 1.051 555 I HN 0.216 nan 8.210 nan 0.000 0.409 556 T N 0.691 115.265 114.554 0.034 0.000 2.867 556 T HA -0.184 4.167 4.350 0.002 0.000 0.268 556 T C 1.644 176.396 174.700 0.086 0.000 1.057 556 T CA 1.223 63.352 62.100 0.047 0.000 1.136 556 T CB -0.416 68.482 68.868 0.051 0.000 0.874 556 T HN 0.284 nan 8.240 nan 0.000 0.466 557 F N 1.348 121.295 119.950 -0.005 0.000 2.206 557 F HA 0.174 4.702 4.527 0.002 0.000 0.298 557 F C 1.803 177.646 175.800 0.072 0.000 1.090 557 F CA 0.705 58.721 58.000 0.027 0.000 1.323 557 F CB -0.331 38.702 39.000 0.055 0.000 1.028 557 F HN 0.017 nan 8.300 nan 0.000 0.492 558 L N -0.074 121.196 121.223 0.079 0.000 2.093 558 L HA -0.186 4.155 4.340 0.002 0.000 0.208 558 L C 2.663 179.526 176.870 -0.011 0.000 1.085 558 L CA 1.417 56.267 54.840 0.018 0.000 0.755 558 L CB -0.754 41.344 42.059 0.065 0.000 0.904 558 L HN 0.277 nan 8.230 nan 0.000 0.435 559 S N -1.263 114.427 115.700 -0.018 0.000 2.474 559 S HA -0.146 4.325 4.470 0.002 0.000 0.235 559 S C 1.593 176.156 174.600 -0.062 0.000 0.997 559 S CA 0.831 59.022 58.200 -0.014 0.000 0.949 559 S CB -0.236 62.959 63.200 -0.008 0.000 0.766 559 S HN 0.486 nan 8.310 nan 0.000 0.517 560 E N -0.358 119.748 120.200 -0.155 0.000 2.250 560 E HA 0.067 4.418 4.350 0.002 0.000 0.192 560 E C 0.862 177.252 176.600 -0.351 0.000 0.986 560 E CA 0.342 56.573 56.400 -0.282 0.000 0.849 560 E CB -0.053 29.413 29.700 -0.391 0.000 0.797 560 E HN 0.739 nan 8.360 nan 0.000 0.482 561 W N 0.340 121.491 121.300 -0.249 0.000 3.290 561 W HA 0.179 4.840 4.660 0.002 0.000 0.287 561 W C 0.606 177.147 176.519 0.038 0.000 1.288 561 W CA 0.295 57.535 57.345 -0.175 0.000 1.725 561 W CB 1.159 30.427 29.460 -0.321 0.000 1.103 561 W HN 0.060 nan 8.180 nan 0.000 0.670 562 G N 1.349 110.297 108.800 0.246 0.000 2.462 562 G HA2 -0.184 3.778 3.960 0.002 0.000 0.124 562 G HA3 -0.184 3.778 3.960 0.002 0.000 0.124 562 G C -0.613 174.436 174.900 0.248 0.000 1.062 562 G CA -0.783 44.442 45.100 0.210 0.000 0.764 562 G HN 0.082 nan 8.290 nan 0.000 0.485 563 M N 1.341 121.045 119.600 0.173 0.000 2.080 563 M HA 0.479 4.961 4.480 0.002 0.000 0.350 563 M C 0.070 176.408 176.300 0.063 0.000 1.173 563 M CA -0.417 54.967 55.300 0.140 0.000 1.052 563 M CB 0.448 33.114 32.600 0.109 0.000 1.577 563 M HN 0.220 nan 8.290 nan 0.000 0.455 564 E N 7.358 127.585 120.200 0.045 0.000 2.180 564 E HA 0.255 4.606 4.350 0.002 0.000 0.283 564 E C -2.215 174.382 176.600 -0.006 0.000 1.061 564 E CA -1.723 54.688 56.400 0.018 0.000 0.861 564 E CB 0.431 30.146 29.700 0.024 0.000 1.056 564 E HN 0.474 nan 8.360 nan 0.000 0.407 565 P HA -0.087 nan 4.420 nan 0.000 0.269 565 P C 0.463 177.685 177.300 -0.130 0.000 1.215 565 P CA -0.187 62.892 63.100 -0.035 0.000 0.780 565 P CB 0.870 32.571 31.700 0.002 0.000 0.898 566 L N 1.497 122.580 121.223 -0.233 0.000 2.465 566 L HA -0.114 4.227 4.340 0.002 0.000 0.224 566 L C 2.116 178.834 176.870 -0.254 0.000 1.145 566 L CA 1.595 56.145 54.840 -0.484 0.000 0.834 566 L CB -0.926 40.760 42.059 -0.621 0.000 0.944 566 L HN 0.266 nan 8.230 nan 0.000 0.451 567 E N -0.272 119.889 120.200 -0.065 0.000 2.047 567 E HA -0.125 4.226 4.350 0.002 0.000 0.191 567 E C 0.252 176.883 176.600 0.052 0.000 0.987 567 E CA 1.022 57.443 56.400 0.035 0.000 0.799 567 E CB -0.255 29.455 29.700 0.017 0.000 0.752 567 E HN 0.483 nan 8.360 nan 0.000 0.449 568 D N 0.165 120.571 120.400 0.010 0.000 2.772 568 D HA 0.115 4.756 4.640 0.002 0.000 0.273 568 D C -0.993 175.315 176.300 0.014 0.000 1.233 568 D CA -0.194 53.816 54.000 0.016 0.000 0.984 568 D CB -0.409 40.391 40.800 -0.000 0.000 1.000 568 D HN 0.032 nan 8.370 nan 0.000 0.514 569 Y N 0.862 121.067 120.300 -0.158 0.000 2.409 569 Y HA 0.479 5.030 4.550 0.002 0.000 0.339 569 Y C -0.585 175.258 175.900 -0.094 0.000 1.033 569 Y CA -1.299 56.664 58.100 -0.228 0.000 1.094 569 Y CB 1.162 39.279 38.460 -0.572 0.000 1.210 569 Y HN -0.016 nan 8.280 nan 0.000 0.456 570 V N 5.894 125.293 119.914 -0.859 0.000 2.398 570 V HA 0.461 4.583 4.120 0.002 0.000 0.286 570 V C -2.134 173.431 176.094 -0.883 0.000 1.026 570 V CA -1.969 59.938 62.300 -0.654 0.000 0.868 570 V CB 1.352 32.887 31.823 -0.480 0.000 0.982 570 V HN 0.753 nan 8.190 nan 0.000 0.443 571 P HA -0.140 nan 4.420 nan 0.000 0.215 571 P C 0.629 177.946 177.300 0.029 0.000 1.157 571 P CA 1.693 64.743 63.100 -0.082 0.000 0.868 571 P CB -0.039 31.670 31.700 0.015 0.000 0.788 572 H N -1.408 117.597 119.070 -0.108 0.000 3.188 572 H HA 0.251 4.808 4.556 0.002 0.000 0.204 572 H C 1.352 176.627 175.328 -0.088 0.000 1.565 572 H CA 0.063 56.078 56.048 -0.054 0.000 1.695 572 H CB -0.552 29.189 29.762 -0.034 0.000 1.392 572 H HN 0.018 nan 8.280 nan 0.000 0.965 573 Q N -0.790 118.766 119.800 -0.407 0.000 2.306 573 Q HA -0.214 4.127 4.340 0.002 0.000 0.179 573 Q C -0.457 175.435 176.000 -0.180 0.000 2.892 573 Q CA 1.988 57.559 55.803 -0.388 0.000 0.250 573 Q CB -1.614 26.760 28.738 -0.607 0.000 0.245 573 Q HN 0.638 nan 8.270 nan 0.000 0.415 574 S N 1.633 117.232 115.700 -0.169 0.000 2.475 574 S HA 0.330 4.801 4.470 0.002 0.000 0.249 574 S C -2.107 172.506 174.600 0.021 0.000 1.298 574 S CA -0.671 57.492 58.200 -0.061 0.000 1.125 574 S CB 1.698 64.868 63.200 -0.050 0.000 1.054 574 S HN 0.367 nan 8.310 nan 0.000 0.484 575 P HA 0.092 nan 4.420 nan 0.000 0.216 575 P C -0.207 177.150 177.300 0.095 0.000 1.154 575 P CA 0.674 63.828 63.100 0.089 0.000 0.857 575 P CB 0.003 31.747 31.700 0.073 0.000 0.787 576 D N 0.433 120.871 120.400 0.064 0.000 2.885 576 D HA 0.303 4.945 4.640 0.002 0.000 0.234 576 D C 0.055 176.392 176.300 0.062 0.000 1.129 576 D CA 0.112 54.145 54.000 0.054 0.000 0.991 576 D CB -0.920 39.901 40.800 0.035 0.000 1.137 576 D HN 0.143 nan 8.370 nan 0.000 0.459 577 A N 0.662 123.540 122.820 0.095 0.000 2.328 577 A HA 0.470 4.791 4.320 0.002 0.000 0.284 577 A C 0.460 178.087 177.584 0.072 0.000 1.160 577 A CA -0.489 51.624 52.037 0.126 0.000 0.818 577 A CB 0.522 19.676 19.000 0.257 0.000 1.087 577 A HN 0.172 nan 8.150 nan 0.000 0.504 578 T N 4.059 118.653 114.554 0.066 0.000 2.947 578 T HA 0.342 4.693 4.350 0.002 0.000 0.337 578 T C 0.260 174.965 174.700 0.009 0.000 1.139 578 T CA -0.539 61.577 62.100 0.027 0.000 0.992 578 T CB -0.014 68.880 68.868 0.043 0.000 1.043 578 T HN 0.770 nan 8.240 nan 0.000 0.498 579 R N 1.541 121.996 120.500 -0.076 0.000 2.491 579 R HA 0.501 4.842 4.340 0.002 0.000 0.283 579 R C -0.884 175.218 176.300 -0.330 0.000 1.072 579 R CA -0.590 55.397 56.100 -0.188 0.000 1.048 579 R CB 0.247 30.259 30.300 -0.480 0.000 0.983 579 R HN 0.235 nan 8.270 nan 0.000 0.450 580 V N 4.112 123.850 119.914 -0.293 0.000 2.398 580 V HA 0.391 4.512 4.120 0.002 0.000 0.286 580 V C -0.533 175.320 176.094 -0.402 0.000 1.026 580 V CA -0.570 61.592 62.300 -0.230 0.000 0.868 580 V CB 0.763 32.561 31.823 -0.042 0.000 0.982 580 V HN 0.585 nan 8.190 nan 0.000 0.443 581 F N 3.269 123.137 119.950 -0.136 0.000 2.480 581 F HA 0.735 5.264 4.527 0.002 0.000 0.329 581 F C -0.030 175.718 175.800 -0.087 0.000 1.091 581 F CA -0.840 57.093 58.000 -0.111 0.000 0.972 581 F CB 2.173 41.033 39.000 -0.233 0.000 1.150 581 F HN 0.311 nan 8.300 nan 0.000 0.467 582 V N 4.234 124.294 119.914 0.244 0.000 2.567 582 V HA 0.383 4.504 4.120 0.002 0.000 0.298 582 V C -0.741 175.494 176.094 0.235 0.000 1.047 582 V CA -0.732 61.651 62.300 0.140 0.000 0.880 582 V CB 1.185 33.086 31.823 0.129 0.000 1.009 582 V HN 0.843 nan 8.190 nan 0.000 0.429 583 N N 4.715 123.553 118.700 0.230 0.000 2.721 583 N HA -0.176 4.566 4.740 0.002 0.000 0.249 583 N C 0.941 176.677 175.510 0.377 0.000 1.072 583 N CA 2.048 55.340 53.050 0.404 0.000 0.710 583 N CB -1.210 37.443 38.487 0.277 0.000 0.993 583 N HN 1.927 nan 8.380 nan 0.000 0.547 584 G N -2.614 106.429 108.800 0.404 0.000 2.176 584 G HA2 -0.245 3.716 3.960 0.002 0.000 0.252 584 G HA3 -0.245 3.716 3.960 0.002 0.000 0.252 584 G C -0.176 175.062 174.900 0.563 0.000 1.024 584 G CA 0.337 45.656 45.100 0.364 0.000 0.755 584 G HN 0.622 nan 8.290 nan 0.000 0.507 585 V N 0.229 120.480 119.914 0.561 0.000 2.444 585 V HA 0.549 4.670 4.120 0.002 0.000 0.294 585 V C 0.087 176.490 176.094 0.515 0.000 1.022 585 V CA -1.301 61.280 62.300 0.468 0.000 0.850 585 V CB 1.658 33.604 31.823 0.206 0.000 0.992 585 V HN 0.324 nan 8.190 nan 0.000 0.426 586 W N 4.184 125.673 121.300 0.315 0.000 2.356 586 W HA 0.366 5.027 4.660 0.002 0.000 0.311 586 W C 0.557 176.931 176.519 -0.240 0.000 1.328 586 W CA -0.201 57.085 57.345 -0.099 0.000 1.251 586 W CB 0.476 29.911 29.460 -0.041 0.000 1.280 586 W HN 0.752 nan 8.180 nan 0.000 0.524 587 H N 2.261 121.474 119.070 0.238 0.000 2.986 587 H HA 0.375 4.932 4.556 0.002 0.000 0.267 587 H C 0.928 176.241 175.328 -0.025 0.000 1.072 587 H CA 0.687 56.778 56.048 0.072 0.000 1.202 587 H CB 1.020 30.829 29.762 0.077 0.000 1.535 587 H HN 0.522 nan 8.280 nan 0.000 0.522 588 G N -0.398 108.447 108.800 0.075 0.000 2.356 588 G HA2 0.208 4.169 3.960 0.002 0.000 0.288 588 G HA3 0.208 4.169 3.960 0.002 0.000 0.288 588 G C -1.900 173.036 174.900 0.061 0.000 1.302 588 G CA -0.554 44.504 45.100 -0.069 0.000 0.887 588 G HN 0.033 nan 8.290 nan 0.000 0.521 589 V N 0.167 120.099 119.914 0.029 0.000 2.680 589 V HA 0.695 4.816 4.120 0.002 0.000 0.309 589 V C -0.571 175.599 176.094 0.127 0.000 1.052 589 V CA -0.712 61.644 62.300 0.094 0.000 0.908 589 V CB 1.825 33.719 31.823 0.118 0.000 1.001 589 V HN 1.008 nan 8.190 nan 0.000 0.431 590 H N 2.703 121.792 119.070 0.033 0.000 2.466 590 H HA 0.493 5.050 4.556 0.002 0.000 0.338 590 H C 0.907 176.253 175.328 0.030 0.000 1.091 590 H CA -0.451 55.614 56.048 0.028 0.000 1.207 590 H CB 1.475 31.246 29.762 0.015 0.000 1.466 590 H HN 0.504 nan 8.280 nan 0.000 0.493 591 R N 2.458 122.748 120.500 -0.350 0.000 2.090 591 R HA -0.017 4.325 4.340 0.002 0.000 0.228 591 R C 0.117 176.361 176.300 -0.093 0.000 1.110 591 R CA 0.840 56.834 56.100 -0.177 0.000 0.973 591 R CB 0.233 30.426 30.300 -0.179 0.000 0.869 591 R HN 0.568 nan 8.270 nan 0.000 0.440 592 N N 0.363 118.991 118.700 -0.118 0.000 2.762 592 N HA 0.132 4.873 4.740 0.002 0.000 0.252 592 N C -2.248 173.446 175.510 0.308 0.000 1.269 592 N CA -1.296 51.804 53.050 0.083 0.000 0.799 592 N CB 1.540 40.044 38.487 0.029 0.000 1.173 592 N HN -0.045 nan 8.380 nan 0.000 0.516 593 P HA 0.028 nan 4.420 nan 0.000 0.233 593 P C 1.119 178.426 177.300 0.012 0.000 1.167 593 P CA 0.348 63.523 63.100 0.125 0.000 0.770 593 P CB 0.364 32.109 31.700 0.076 0.000 0.837 594 A N 1.109 123.945 122.820 0.027 0.000 1.940 594 A HA -0.152 4.169 4.320 0.002 0.000 0.219 594 A C 2.333 179.896 177.584 -0.035 0.000 1.176 594 A CA 1.340 53.374 52.037 -0.006 0.000 0.631 594 A CB -0.866 18.135 19.000 0.002 0.000 0.814 594 A HN 0.129 nan 8.150 nan 0.000 0.446 595 R N -1.758 118.718 120.500 -0.040 0.000 2.265 595 R HA 0.215 4.556 4.340 0.002 0.000 0.194 595 R C 1.864 178.059 176.300 -0.176 0.000 0.931 595 R CA 0.362 56.406 56.100 -0.094 0.000 1.032 595 R CB -0.170 30.080 30.300 -0.084 0.000 0.980 595 R HN 0.466 nan 8.270 nan 0.000 0.497 596 L N 0.732 121.847 121.223 -0.180 0.000 2.093 596 L HA -0.096 4.246 4.340 0.002 0.000 0.208 596 L C 2.219 178.951 176.870 -0.229 0.000 1.085 596 L CA 1.520 56.171 54.840 -0.315 0.000 0.755 596 L CB -0.153 41.568 42.059 -0.563 0.000 0.904 596 L HN 0.070 nan 8.230 nan 0.000 0.435 597 M N -0.270 119.239 119.600 -0.153 0.000 2.067 597 M HA -0.222 4.259 4.480 0.002 0.000 0.260 597 M C 2.204 178.452 176.300 -0.086 0.000 1.069 597 M CA 1.963 57.204 55.300 -0.098 0.000 1.117 597 M CB -0.424 32.138 32.600 -0.064 0.000 1.334 597 M HN 0.352 nan 8.290 nan 0.000 0.407 598 E N -1.605 118.539 120.200 -0.093 0.000 2.274 598 E HA -0.123 4.229 4.350 0.002 0.000 0.194 598 E C 1.417 177.957 176.600 -0.100 0.000 0.996 598 E CA 1.376 57.728 56.400 -0.080 0.000 0.840 598 E CB 0.082 29.738 29.700 -0.072 0.000 0.772 598 E HN 0.568 nan 8.360 nan 0.000 0.491 599 T N 0.736 115.193 114.554 -0.161 0.000 2.777 599 T HA -0.091 4.261 4.350 0.002 0.000 0.266 599 T C 1.764 176.420 174.700 -0.073 0.000 1.040 599 T CA 0.721 62.706 62.100 -0.192 0.000 1.141 599 T CB -0.035 68.559 68.868 -0.457 0.000 0.868 599 T HN 0.147 nan 8.240 nan 0.000 0.444 600 L N 0.059 121.249 121.223 -0.055 0.000 2.156 600 L HA 0.053 4.394 4.340 0.002 0.000 0.208 600 L C 2.877 179.733 176.870 -0.024 0.000 1.095 600 L CA 1.034 55.875 54.840 0.001 0.000 0.770 600 L CB -0.310 41.752 42.059 0.005 0.000 0.914 600 L HN 0.108 nan 8.230 nan 0.000 0.439 601 R N -0.595 119.886 120.500 -0.032 0.000 2.066 601 R HA -0.112 4.229 4.340 0.002 0.000 0.232 601 R C 2.159 178.443 176.300 -0.027 0.000 1.131 601 R CA 1.940 58.027 56.100 -0.022 0.000 0.955 601 R CB -0.508 29.782 30.300 -0.016 0.000 0.851 601 R HN 0.297 nan 8.270 nan 0.000 0.432 602 T N 1.565 116.099 114.554 -0.034 0.000 3.035 602 T HA -0.024 4.327 4.350 0.002 0.000 0.268 602 T C 1.600 176.279 174.700 -0.034 0.000 1.109 602 T CA 0.425 62.506 62.100 -0.032 0.000 1.119 602 T CB 0.034 68.884 68.868 -0.030 0.000 0.900 602 T HN 0.033 nan 8.240 nan 0.000 0.503 603 L N 1.231 122.431 121.223 -0.037 0.000 2.109 603 L HA 0.095 4.436 4.340 0.002 0.000 0.207 603 L C 2.568 179.389 176.870 -0.081 0.000 1.086 603 L CA 1.553 56.356 54.840 -0.061 0.000 0.760 603 L CB -0.736 41.273 42.059 -0.084 0.000 0.910 603 L HN 0.192 nan 8.230 nan 0.000 0.437 604 R N 0.287 120.747 120.500 -0.068 0.000 2.073 604 R HA -0.085 4.256 4.340 0.002 0.000 0.229 604 R C 1.482 177.738 176.300 -0.073 0.000 1.120 604 R CA 0.605 56.663 56.100 -0.069 0.000 0.967 604 R CB 0.019 30.288 30.300 -0.051 0.000 0.862 604 R HN 0.260 nan 8.270 nan 0.000 0.436 605 R N 0.359 120.821 120.500 -0.063 0.000 2.535 605 R HA -0.001 4.340 4.340 0.002 0.000 0.233 605 R C 1.263 177.520 176.300 -0.072 0.000 1.202 605 R CA 0.379 56.436 56.100 -0.072 0.000 1.205 605 R CB 0.181 30.450 30.300 -0.052 0.000 1.153 605 R HN 0.153 nan 8.270 nan 0.000 0.512 606 K N -1.641 118.716 120.400 -0.071 0.000 2.585 606 K HA 0.102 4.424 4.320 0.002 0.000 0.198 606 K C 0.870 177.431 176.600 -0.066 0.000 1.403 606 K CA 0.801 57.053 56.287 -0.060 0.000 1.021 606 K CB 1.076 33.550 32.500 -0.043 0.000 1.558 606 K HN 0.192 nan 8.250 nan 0.000 0.524 607 G N 0.980 109.736 108.800 -0.072 0.000 2.273 607 G HA2 -0.150 3.811 3.960 0.002 0.000 0.162 607 G HA3 -0.150 3.811 3.960 0.002 0.000 0.162 607 G C 0.215 175.076 174.900 -0.065 0.000 1.006 607 G CA 0.321 45.380 45.100 -0.069 0.000 0.704 607 G HN 0.256 nan 8.290 nan 0.000 0.487 608 D N 0.584 120.938 120.400 -0.077 0.000 2.091 608 D HA 0.086 4.727 4.640 0.002 0.000 0.199 608 D C 1.469 177.701 176.300 -0.113 0.000 0.980 608 D CA 0.710 54.654 54.000 -0.093 0.000 0.831 608 D CB 0.210 40.940 40.800 -0.117 0.000 0.987 608 D HN 0.480 nan 8.370 nan 0.000 0.460 609 I N 1.907 122.397 120.570 -0.133 0.000 2.352 609 I HA 0.025 4.196 4.170 0.002 0.000 0.290 609 I C 0.423 176.490 176.117 -0.083 0.000 1.036 609 I CA -0.648 60.579 61.300 -0.121 0.000 1.336 609 I CB 0.614 38.530 38.000 -0.140 0.000 1.407 609 I HN -0.189 nan 8.210 nan 0.000 0.497 610 N N 9.068 127.728 118.700 -0.068 0.000 2.301 610 N HA -0.026 4.715 4.740 0.002 0.000 0.267 610 N C -1.748 173.735 175.510 -0.045 0.000 1.304 610 N CA -0.895 52.125 53.050 -0.050 0.000 0.851 610 N CB 0.666 39.124 38.487 -0.049 0.000 1.070 610 N HN 0.281 nan 8.380 nan 0.000 0.483 611 P HA -0.135 nan 4.420 nan 0.000 0.227 611 P C 0.494 177.794 177.300 0.001 0.000 1.145 611 P CA 0.926 64.014 63.100 -0.020 0.000 0.769 611 P CB 0.192 31.870 31.700 -0.036 0.000 0.769 612 E N -0.522 119.636 120.200 -0.071 0.000 2.216 612 E HA -0.020 4.332 4.350 0.002 0.000 0.192 612 E C 0.101 176.597 176.600 -0.173 0.000 0.988 612 E CA 0.120 56.364 56.400 -0.260 0.000 0.834 612 E CB 0.163 29.742 29.700 -0.200 0.000 0.772 612 E HN -0.028 nan 8.360 nan 0.000 0.479 613 V N 2.463 122.333 119.914 -0.073 0.000 2.572 613 V HA -0.010 4.111 4.120 0.002 0.000 0.291 613 V C 0.264 176.357 176.094 -0.000 0.000 1.039 613 V CA -0.027 62.262 62.300 -0.018 0.000 1.055 613 V CB 1.075 32.889 31.823 -0.015 0.000 0.969 613 V HN 0.212 nan 8.190 nan 0.000 0.482 614 S N 6.020 121.751 115.700 0.052 0.000 2.541 614 S HA 0.824 5.295 4.470 0.002 0.000 0.283 614 S C -0.681 173.940 174.600 0.035 0.000 1.196 614 S CA -0.855 57.386 58.200 0.069 0.000 1.062 614 S CB 1.319 64.608 63.200 0.148 0.000 1.009 614 S HN 0.587 nan 8.310 nan 0.000 0.502 615 M N 2.747 122.358 119.600 0.019 0.000 2.204 615 M HA 0.467 4.948 4.480 0.002 0.000 0.293 615 M C -1.783 174.516 176.300 -0.002 0.000 0.994 615 M CA -0.397 54.895 55.300 -0.013 0.000 0.925 615 M CB 1.704 34.296 32.600 -0.013 0.000 1.577 615 M HN 0.583 nan 8.290 nan 0.000 0.439 616 I N 2.694 123.249 120.570 -0.026 0.000 2.436 616 I HA 0.480 4.652 4.170 0.002 0.000 0.289 616 I C -0.206 175.900 176.117 -0.018 0.000 1.010 616 I CA -0.413 60.884 61.300 -0.005 0.000 1.098 616 I CB 1.890 39.894 38.000 0.007 0.000 1.266 616 I HN 0.594 nan 8.210 nan 0.000 0.434 617 R N 3.730 124.227 120.500 -0.005 0.000 2.272 617 R HA 0.325 4.666 4.340 0.002 0.000 0.323 617 R C -1.039 175.258 176.300 -0.004 0.000 1.002 617 R CA -0.527 55.566 56.100 -0.011 0.000 0.900 617 R CB 0.478 30.770 30.300 -0.013 0.000 1.151 617 R HN 0.552 nan 8.270 nan 0.000 0.507 618 D N 4.911 125.306 120.400 -0.008 0.000 2.522 618 D HA 0.121 4.762 4.640 0.002 0.000 0.218 618 D C 1.246 177.540 176.300 -0.009 0.000 1.149 618 D CA -0.107 53.889 54.000 -0.007 0.000 0.981 618 D CB 0.472 41.266 40.800 -0.010 0.000 1.041 618 D HN 0.558 nan 8.370 nan 0.000 0.518 619 I N 1.014 121.580 120.570 -0.007 0.000 2.226 619 I HA -0.227 3.945 4.170 0.002 0.000 0.245 619 I C 2.216 178.328 176.117 -0.008 0.000 1.100 619 I CA 0.735 62.032 61.300 -0.007 0.000 1.374 619 I CB -0.149 37.848 38.000 -0.005 0.000 1.057 619 I HN 0.206 nan 8.210 nan 0.000 0.413 620 R N 0.461 120.955 120.500 -0.010 0.000 2.193 620 R HA -0.167 4.174 4.340 0.002 0.000 0.229 620 R C 1.738 178.029 176.300 -0.015 0.000 1.110 620 R CA 1.065 57.159 56.100 -0.011 0.000 0.988 620 R CB -0.120 30.173 30.300 -0.012 0.000 0.871 620 R HN 0.282 nan 8.270 nan 0.000 0.458 621 E N 0.147 120.336 120.200 -0.018 0.000 2.526 621 E HA 0.068 4.419 4.350 0.002 0.000 0.208 621 E C -0.722 175.860 176.600 -0.031 0.000 0.997 621 E CA -0.000 56.384 56.400 -0.026 0.000 0.961 621 E CB 0.411 30.096 29.700 -0.026 0.000 1.030 621 E HN -0.029 nan 8.360 nan 0.000 0.483 622 K N 1.062 121.448 120.400 -0.023 0.000 3.372 622 K HA -0.192 4.130 4.320 0.002 0.000 0.272 622 K C -0.884 175.693 176.600 -0.038 0.000 1.037 622 K CA 0.786 57.058 56.287 -0.024 0.000 0.777 622 K CB -1.306 31.178 32.500 -0.026 0.000 1.347 622 K HN 0.254 nan 8.250 nan 0.000 0.460 623 E N 0.081 120.265 120.200 -0.027 0.000 2.393 623 E HA 0.603 4.955 4.350 0.002 0.000 0.273 623 E C -1.360 175.228 176.600 -0.021 0.000 0.918 623 E CA -1.185 55.199 56.400 -0.026 0.000 0.773 623 E CB 1.965 31.672 29.700 0.013 0.000 1.275 623 E HN 0.106 nan 8.360 nan 0.000 0.451 624 L N 2.046 123.256 121.223 -0.022 0.000 2.518 624 L HA 0.358 4.700 4.340 0.002 0.000 0.262 624 L C -1.532 175.320 176.870 -0.029 0.000 0.982 624 L CA -0.181 54.639 54.840 -0.034 0.000 0.873 624 L CB 1.008 43.037 42.059 -0.050 0.000 1.198 624 L HN 0.325 nan 8.230 nan 0.000 0.427 625 K N 5.462 125.817 120.400 -0.075 0.000 2.159 625 K HA 0.727 5.049 4.320 0.002 0.000 0.266 625 K C -1.135 175.277 176.600 -0.312 0.000 0.975 625 K CA -0.530 55.629 56.287 -0.212 0.000 0.865 625 K CB 2.084 34.398 32.500 -0.309 0.000 1.087 625 K HN 0.473 nan 8.250 nan 0.000 0.446 626 I N 3.163 123.478 120.570 -0.426 0.000 2.499 626 I HA 0.356 4.527 4.170 0.002 0.000 0.288 626 I C -1.090 174.777 176.117 -0.417 0.000 1.048 626 I CA -0.654 60.461 61.300 -0.308 0.000 1.062 626 I CB 1.344 39.281 38.000 -0.105 0.000 1.238 626 I HN 0.444 nan 8.210 nan 0.000 0.426 627 F N 3.320 123.294 119.950 0.040 0.000 2.493 627 F HA 0.341 4.870 4.527 0.002 0.000 0.329 627 F C 0.838 176.646 175.800 0.013 0.000 1.126 627 F CA -0.609 57.409 58.000 0.030 0.000 0.937 627 F CB 2.253 41.267 39.000 0.022 0.000 1.146 627 F HN 0.322 nan 8.300 nan 0.000 0.442 628 T N 0.919 115.605 114.554 0.221 0.000 3.296 628 T HA 0.105 4.456 4.350 0.002 0.000 0.285 628 T C -0.576 174.176 174.700 0.086 0.000 1.014 628 T CA -0.284 61.882 62.100 0.108 0.000 0.920 628 T CB -0.746 68.159 68.868 0.061 0.000 1.143 628 T HN 0.523 nan 8.240 nan 0.000 0.522 629 D N 1.412 121.873 120.400 0.102 0.000 2.294 629 D HA 0.636 5.277 4.640 0.002 0.000 0.250 629 D C -0.179 176.123 176.300 0.003 0.000 1.058 629 D CA -0.391 53.631 54.000 0.036 0.000 0.950 629 D CB 1.590 42.386 40.800 -0.008 0.000 1.158 629 D HN 0.354 nan 8.370 nan 0.000 0.453 630 A N 0.691 123.506 122.820 -0.009 0.000 2.301 630 A HA 0.622 4.943 4.320 0.002 0.000 0.298 630 A C 0.903 178.466 177.584 -0.036 0.000 1.185 630 A CA 0.354 52.386 52.037 -0.008 0.000 0.830 630 A CB 0.520 19.521 19.000 0.002 0.000 1.112 630 A HN 0.823 nan 8.150 nan 0.000 0.508 631 G N 2.045 110.825 108.800 -0.034 0.000 2.551 631 G HA2 -0.128 3.834 3.960 0.002 0.000 0.186 631 G HA3 -0.128 3.834 3.960 0.002 0.000 0.186 631 G C 0.357 175.197 174.900 -0.099 0.000 1.002 631 G CA -0.363 44.692 45.100 -0.074 0.000 0.723 631 G HN 0.799 nan 8.290 nan 0.000 0.481 632 R N 0.369 120.832 120.500 -0.061 0.000 2.594 632 R HA 0.499 4.840 4.340 0.002 0.000 0.272 632 R C -0.199 176.124 176.300 0.037 0.000 1.074 632 R CA -0.026 56.051 56.100 -0.038 0.000 1.105 632 R CB 1.403 31.716 30.300 0.022 0.000 1.008 632 R HN 0.073 nan 8.270 nan 0.000 0.472 633 V N 3.998 123.941 119.914 0.047 0.000 2.398 633 V HA 0.317 4.439 4.120 0.002 0.000 0.286 633 V C -0.766 175.413 176.094 0.141 0.000 1.026 633 V CA -0.766 61.571 62.300 0.060 0.000 0.868 633 V CB 0.592 32.542 31.823 0.213 0.000 0.982 633 V HN 0.679 nan 8.190 nan 0.000 0.443 634 Y N 3.147 123.457 120.300 0.016 0.000 2.499 634 Y HA 0.891 5.443 4.550 0.002 0.000 0.347 634 Y C -0.226 175.664 175.900 -0.017 0.000 0.987 634 Y CA -1.600 56.504 58.100 0.007 0.000 1.044 634 Y CB 1.530 39.971 38.460 -0.031 0.000 1.245 634 Y HN 0.705 nan 8.280 nan 0.000 0.461 635 R N 1.968 122.585 120.500 0.196 0.000 2.670 635 R HA 0.703 5.044 4.340 0.002 0.000 0.289 635 R C -3.312 173.144 176.300 0.259 0.000 0.965 635 R CA -2.076 54.097 56.100 0.122 0.000 0.899 635 R CB 2.383 32.702 30.300 0.031 0.000 1.173 635 R HN 0.425 nan 8.270 nan 0.000 0.456 636 P HA 0.331 nan 4.420 nan 0.000 0.284 636 P C -0.931 176.386 177.300 0.028 0.000 1.253 636 P CA -0.481 62.804 63.100 0.308 0.000 0.800 636 P CB 1.265 33.271 31.700 0.510 0.000 0.961 637 L N 1.918 123.123 121.223 -0.030 0.000 2.376 637 L HA 0.493 4.834 4.340 0.002 0.000 0.258 637 L C 0.546 177.372 176.870 -0.073 0.000 1.013 637 L CA -1.119 53.661 54.840 -0.101 0.000 0.822 637 L CB 1.424 43.480 42.059 -0.005 0.000 1.388 637 L HN 0.246 nan 8.230 nan 0.000 0.413 638 F N 0.987 120.989 119.950 0.087 0.000 2.472 638 F HA 0.286 4.814 4.527 0.002 0.000 0.312 638 F C 0.371 176.243 175.800 0.120 0.000 1.256 638 F CA -0.085 57.950 58.000 0.058 0.000 1.275 638 F CB 0.533 39.547 39.000 0.025 0.000 1.228 638 F HN 0.143 nan 8.300 nan 0.000 0.567 639 I N 1.451 122.185 120.570 0.273 0.000 2.410 639 I HA 0.269 4.440 4.170 0.002 0.000 0.286 639 I C -1.247 174.879 176.117 0.015 0.000 1.009 639 I CA -0.659 60.703 61.300 0.102 0.000 1.111 639 I CB 1.657 39.687 38.000 0.049 0.000 1.262 639 I HN 0.084 nan 8.210 nan 0.000 0.443 640 V N 6.009 125.901 119.914 -0.037 0.000 2.328 640 V HA 0.462 4.583 4.120 0.002 0.000 0.278 640 V C -0.112 175.952 176.094 -0.050 0.000 1.021 640 V CA -0.471 61.811 62.300 -0.031 0.000 0.838 640 V CB 1.165 32.999 31.823 0.018 0.000 0.999 640 V HN 0.600 nan 8.190 nan 0.000 0.447 641 E N 3.069 123.242 120.200 -0.046 0.000 2.317 641 E HA 0.332 4.683 4.350 0.002 0.000 0.270 641 E C -0.991 175.590 176.600 -0.031 0.000 0.885 641 E CA -0.556 55.820 56.400 -0.040 0.000 0.760 641 E CB 2.548 32.220 29.700 -0.046 0.000 1.227 641 E HN 0.824 nan 8.360 nan 0.000 0.434 642 D N 1.096 121.487 120.400 -0.016 0.000 3.139 642 D HA 0.114 4.755 4.640 0.002 0.000 0.268 642 D C -0.392 175.902 176.300 -0.010 0.000 1.322 642 D CA -0.243 53.753 54.000 -0.006 0.000 0.940 642 D CB 0.164 40.979 40.800 0.024 0.000 1.050 642 D HN 0.120 nan 8.370 nan 0.000 0.503 643 D N 0.489 120.877 120.400 -0.020 0.000 2.358 643 D HA 0.011 4.653 4.640 0.002 0.000 0.224 643 D C 0.330 176.619 176.300 -0.018 0.000 1.123 643 D CA -0.082 53.908 54.000 -0.016 0.000 0.833 643 D CB 0.795 41.584 40.800 -0.018 0.000 0.946 643 D HN 0.345 nan 8.370 nan 0.000 0.505 644 E N 0.650 120.835 120.200 -0.024 0.000 2.392 644 E HA 0.023 4.374 4.350 0.002 0.000 0.264 644 E C 0.498 177.090 176.600 -0.014 0.000 1.024 644 E CA 0.136 56.518 56.400 -0.030 0.000 0.903 644 E CB 1.714 31.381 29.700 -0.056 0.000 0.963 644 E HN -0.105 nan 8.360 nan 0.000 0.432 645 S N 3.067 118.760 115.700 -0.013 0.000 2.572 645 S HA 0.089 4.560 4.470 0.002 0.000 0.228 645 S C 0.774 175.373 174.600 -0.003 0.000 0.963 645 S CA -0.322 57.876 58.200 -0.005 0.000 0.939 645 S CB 0.149 63.347 63.200 -0.005 0.000 0.804 645 S HN 0.414 nan 8.310 nan 0.000 0.480 646 L N -0.581 120.637 121.223 -0.008 0.000 2.678 646 L HA 0.504 4.845 4.340 0.002 0.000 0.211 646 L C 1.273 178.151 176.870 0.014 0.000 1.043 646 L CA 1.438 56.276 54.840 -0.004 0.000 0.881 646 L CB -0.177 41.872 42.059 -0.018 0.000 1.361 646 L HN 0.427 nan 8.230 nan 0.000 0.484 647 G N -1.119 107.679 108.800 -0.004 0.000 3.054 647 G HA2 0.326 4.287 3.960 0.002 0.000 0.201 647 G HA3 0.326 4.287 3.960 0.002 0.000 0.201 647 G C 0.078 175.041 174.900 0.106 0.000 1.694 647 G CA 0.552 45.684 45.100 0.054 0.000 0.742 647 G HN 0.422 nan 8.290 nan 0.000 0.790 648 H N -0.697 118.369 119.070 -0.007 0.000 4.239 648 H HA 0.467 5.025 4.556 0.002 0.000 0.418 648 H C -0.989 174.338 175.328 -0.000 0.000 1.397 648 H CA -0.673 55.375 56.048 -0.000 0.000 0.937 648 H CB -0.089 29.675 29.762 0.005 0.000 1.191 648 H HN 0.098 nan 8.280 nan 0.000 0.800 649 K N 1.130 121.621 120.400 0.152 0.000 2.363 649 K HA 0.277 4.598 4.320 0.002 0.000 0.289 649 K C -0.420 176.144 176.600 -0.059 0.000 1.063 649 K CA 0.415 56.744 56.287 0.070 0.000 0.967 649 K CB 0.285 32.890 32.500 0.175 0.000 0.987 649 K HN 0.445 nan 8.250 nan 0.000 0.473 650 E N 2.440 122.564 120.200 -0.126 0.000 2.413 650 E HA 0.315 4.666 4.350 0.002 0.000 0.277 650 E C -1.278 175.252 176.600 -0.117 0.000 0.958 650 E CA -0.733 55.572 56.400 -0.159 0.000 0.779 650 E CB 0.817 30.366 29.700 -0.253 0.000 1.278 650 E HN 0.320 nan 8.360 nan 0.000 0.456 651 L N 3.389 124.530 121.223 -0.135 0.000 2.525 651 L HA 0.134 4.475 4.340 0.002 0.000 0.278 651 L C 1.364 178.168 176.870 -0.110 0.000 1.218 651 L CA 0.251 55.006 54.840 -0.142 0.000 0.878 651 L CB 0.307 42.207 42.059 -0.266 0.000 1.127 651 L HN 0.596 nan 8.230 nan 0.000 0.492 652 K N 1.579 121.930 120.400 -0.082 0.000 2.432 652 K HA 0.053 4.374 4.320 0.002 0.000 0.196 652 K C 0.047 176.597 176.600 -0.083 0.000 1.038 652 K CA 0.254 56.503 56.287 -0.064 0.000 0.986 652 K CB 0.161 32.628 32.500 -0.054 0.000 0.782 652 K HN 0.399 nan 8.250 nan 0.000 0.485 653 V N 2.869 122.708 119.914 -0.125 0.000 2.583 653 V HA 0.125 4.247 4.120 0.002 0.000 0.287 653 V C 0.483 176.568 176.094 -0.014 0.000 1.051 653 V CA -0.297 61.925 62.300 -0.130 0.000 1.010 653 V CB 0.961 32.688 31.823 -0.161 0.000 0.988 653 V HN 0.172 nan 8.190 nan 0.000 0.478 654 R N 2.665 123.295 120.500 0.216 0.000 2.950 654 R HA 0.445 4.787 4.340 0.002 0.000 0.253 654 R C 0.830 177.188 176.300 0.097 0.000 1.168 654 R CA -1.037 55.138 56.100 0.126 0.000 1.014 654 R CB 0.935 31.302 30.300 0.111 0.000 1.228 654 R HN 0.544 nan 8.270 nan 0.000 0.487 655 K N 0.414 120.828 120.400 0.024 0.000 2.283 655 K HA -0.045 4.276 4.320 0.002 0.000 0.202 655 K C 1.651 178.244 176.600 -0.013 0.000 1.048 655 K CA 1.490 57.785 56.287 0.013 0.000 0.948 655 K CB -0.292 32.206 32.500 -0.003 0.000 0.742 655 K HN 0.730 nan 8.250 nan 0.000 0.458 656 G N -0.193 108.563 108.800 -0.074 0.000 2.408 656 G HA2 -0.210 3.752 3.960 0.002 0.000 0.217 656 G HA3 -0.210 3.752 3.960 0.002 0.000 0.217 656 G C 1.129 175.891 174.900 -0.231 0.000 1.150 656 G CA 0.506 45.499 45.100 -0.178 0.000 0.776 656 G HN 0.343 nan 8.290 nan 0.000 0.542 657 H N 0.445 119.478 119.070 -0.062 0.000 2.389 657 H HA 0.039 4.596 4.556 0.002 0.000 0.299 657 H C 2.673 178.011 175.328 0.018 0.000 1.081 657 H CA 1.067 57.081 56.048 -0.056 0.000 1.345 657 H CB 0.031 29.842 29.762 0.080 0.000 1.393 657 H HN 0.355 nan 8.280 nan 0.000 0.520 658 I N 0.775 121.445 120.570 0.165 0.000 2.252 658 I HA -0.189 3.983 4.170 0.002 0.000 0.245 658 I C 2.835 179.014 176.117 0.104 0.000 1.102 658 I CA 0.971 62.366 61.300 0.158 0.000 1.385 658 I CB -0.300 37.782 38.000 0.136 0.000 1.064 658 I HN 0.120 nan 8.210 nan 0.000 0.414 659 A N 0.462 123.303 122.820 0.034 0.000 1.972 659 A HA -0.227 4.094 4.320 0.002 0.000 0.219 659 A C 2.361 179.934 177.584 -0.018 0.000 1.169 659 A CA 1.622 53.661 52.037 0.003 0.000 0.635 659 A CB -0.459 18.521 19.000 -0.033 0.000 0.810 659 A HN 0.333 nan 8.150 nan 0.000 0.446 660 K N -0.577 119.770 120.400 -0.087 0.000 2.155 660 K HA 0.061 4.383 4.320 0.002 0.000 0.203 660 K C 1.733 178.343 176.600 0.017 0.000 1.052 660 K CA 0.857 57.041 56.287 -0.172 0.000 0.948 660 K CB -0.201 31.954 32.500 -0.575 0.000 0.728 660 K HN 0.487 nan 8.250 nan 0.000 0.448 661 L N 0.210 121.525 121.223 0.154 0.000 2.131 661 L HA -0.099 4.242 4.340 0.002 0.000 0.206 661 L C 2.418 179.419 176.870 0.219 0.000 1.087 661 L CA 0.584 55.599 54.840 0.291 0.000 0.767 661 L CB -0.205 42.060 42.059 0.344 0.000 0.917 661 L HN 0.232 nan 8.230 nan 0.000 0.441 662 M N -0.563 119.139 119.600 0.169 0.000 2.279 662 M HA -0.147 4.334 4.480 0.002 0.000 0.264 662 M C 2.460 178.856 176.300 0.160 0.000 1.062 662 M CA 1.584 56.978 55.300 0.157 0.000 1.099 662 M CB -1.012 31.656 32.600 0.113 0.000 1.394 662 M HN 0.305 nan 8.290 nan 0.000 0.426 663 A N -0.227 122.671 122.820 0.130 0.000 1.930 663 A HA -0.102 4.219 4.320 0.002 0.000 0.217 663 A C 2.219 179.928 177.584 0.208 0.000 1.175 663 A CA 1.988 54.112 52.037 0.144 0.000 0.627 663 A CB -0.874 18.174 19.000 0.080 0.000 0.815 663 A HN 0.477 nan 8.150 nan 0.000 0.443 664 T N -0.009 114.659 114.554 0.190 0.000 2.904 664 T HA -0.065 4.287 4.350 0.002 0.000 0.267 664 T C 1.610 176.415 174.700 0.175 0.000 1.059 664 T CA 1.384 63.592 62.100 0.181 0.000 1.137 664 T CB -0.170 68.814 68.868 0.193 0.000 0.879 664 T HN 0.641 nan 8.240 nan 0.000 0.467 665 E N 0.113 120.431 120.200 0.197 0.000 2.208 665 E HA -0.077 4.275 4.350 0.002 0.000 0.193 665 E C 1.776 178.486 176.600 0.183 0.000 0.988 665 E CA 0.543 57.054 56.400 0.185 0.000 0.828 665 E CB -0.168 29.654 29.700 0.203 0.000 0.763 665 E HN 0.584 nan 8.360 nan 0.000 0.478 666 Y N 2.497 122.847 120.300 0.083 0.000 2.200 666 Y HA -0.229 4.322 4.550 0.002 0.000 0.290 666 Y C 2.269 178.203 175.900 0.056 0.000 1.137 666 Y CA 2.108 60.246 58.100 0.064 0.000 1.163 666 Y CB -0.052 38.441 38.460 0.056 0.000 0.988 666 Y HN -0.009 nan 8.280 nan 0.000 0.518 667 Q N -1.228 118.514 119.800 -0.096 0.000 2.269 667 Q HA -0.029 4.313 4.340 0.002 0.000 0.201 667 Q C 0.939 176.893 176.000 -0.077 0.000 0.946 667 Q CA 1.106 56.802 55.803 -0.179 0.000 0.877 667 Q CB 0.089 28.805 28.738 -0.035 0.000 0.963 667 Q HN 0.406 nan 8.270 nan 0.000 0.472 668 D N 0.778 121.180 120.400 0.004 0.000 2.527 668 D HA -0.281 4.361 4.640 0.002 0.000 0.160 668 D C 0.571 176.892 176.300 0.035 0.000 1.646 668 D CA 1.578 55.597 54.000 0.031 0.000 1.652 668 D CB -1.505 39.301 40.800 0.011 0.000 1.337 668 D HN 0.743 nan 8.370 nan 0.000 0.432 679 Y N 3.182 123.528 120.300 0.078 0.000 2.556 679 Y HA 0.436 4.987 4.550 0.002 0.000 0.352 679 Y C 0.144 176.109 175.900 0.108 0.000 1.006 679 Y CA 0.609 58.761 58.100 0.086 0.000 1.277 679 Y CB 1.125 39.639 38.460 0.091 0.000 1.136 679 Y HN 0.109 nan 8.280 nan 0.000 0.523 680 T N 4.672 119.157 114.554 -0.114 0.000 2.844 680 T HA 0.026 4.377 4.350 0.002 0.000 0.274 680 T C 0.817 175.496 174.700 -0.034 0.000 0.991 680 T CA -0.594 61.509 62.100 0.006 0.000 0.983 680 T CB 0.385 69.285 68.868 0.053 0.000 1.310 680 T HN 0.855 nan 8.240 nan 0.000 0.596 681 W N 0.958 122.213 121.300 -0.074 0.000 2.358 681 W HA -0.114 4.548 4.660 0.002 0.000 0.303 681 W C 1.850 178.301 176.519 -0.112 0.000 1.208 681 W CA 1.641 58.949 57.345 -0.062 0.000 1.274 681 W CB -0.622 28.820 29.460 -0.029 0.000 1.138 681 W HN 0.612 nan 8.180 nan 0.000 0.515 682 S N 0.749 116.363 115.700 -0.144 0.000 2.399 682 S HA -0.232 4.240 4.470 0.002 0.000 0.231 682 S C 2.032 176.431 174.600 -0.336 0.000 1.022 682 S CA 1.942 59.995 58.200 -0.245 0.000 0.983 682 S CB -0.558 62.600 63.200 -0.070 0.000 0.803 682 S HN 0.464 nan 8.310 nan 0.000 0.480 683 S N 1.895 117.372 115.700 -0.372 0.000 2.419 683 S HA 0.013 4.484 4.470 0.002 0.000 0.233 683 S C 1.737 176.089 174.600 -0.414 0.000 1.016 683 S CA 0.742 58.684 58.200 -0.430 0.000 0.974 683 S CB -0.644 62.092 63.200 -0.773 0.000 0.786 683 S HN 0.452 nan 8.310 nan 0.000 0.492 684 L N -0.238 120.691 121.223 -0.489 0.000 2.141 684 L HA 0.039 4.380 4.340 0.002 0.000 0.209 684 L C 2.319 178.920 176.870 -0.448 0.000 1.094 684 L CA 0.631 55.212 54.840 -0.431 0.000 0.763 684 L CB -0.474 41.286 42.059 -0.497 0.000 0.908 684 L HN 0.275 nan 8.230 nan 0.000 0.437 685 L N -0.598 120.297 121.223 -0.546 0.000 2.127 685 L HA -0.029 4.312 4.340 0.002 0.000 0.203 685 L C 2.226 178.928 176.870 -0.279 0.000 1.080 685 L CA 1.196 55.761 54.840 -0.458 0.000 0.768 685 L CB -0.679 41.050 42.059 -0.550 0.000 0.924 685 L HN 0.202 nan 8.230 nan 0.000 0.444 686 N N -0.059 118.497 118.700 -0.240 0.000 2.309 686 N HA -0.138 4.603 4.740 0.002 0.000 0.182 686 N C 1.277 176.720 175.510 -0.111 0.000 1.018 686 N CA 0.915 53.874 53.050 -0.151 0.000 0.876 686 N CB -0.007 38.405 38.487 -0.125 0.000 0.972 686 N HN 0.479 nan 8.380 nan 0.000 0.434 687 E N -0.331 119.798 120.200 -0.119 0.000 2.474 687 E HA 0.194 4.545 4.350 0.002 0.000 0.195 687 E C 0.184 176.737 176.600 -0.079 0.000 1.039 687 E CA -0.154 56.208 56.400 -0.064 0.000 0.881 687 E CB 0.276 29.971 29.700 -0.009 0.000 0.970 687 E HN 0.267 nan 8.360 nan 0.000 0.486 688 G N 1.631 110.361 108.800 -0.116 0.000 2.326 688 G HA2 -0.251 3.710 3.960 0.002 0.000 0.286 688 G HA3 -0.251 3.710 3.960 0.002 0.000 0.286 688 G C 0.376 175.214 174.900 -0.104 0.000 1.096 688 G CA 0.189 45.228 45.100 -0.102 0.000 1.003 688 G HN 0.262 nan 8.290 nan 0.000 0.503 689 L N -1.888 119.247 121.223 -0.146 0.000 2.624 689 L HA 0.378 4.719 4.340 0.002 0.000 0.222 689 L C 0.781 177.615 176.870 -0.061 0.000 1.046 689 L CA 0.189 54.954 54.840 -0.125 0.000 0.872 689 L CB 0.465 42.396 42.059 -0.213 0.000 1.190 689 L HN 0.174 nan 8.230 nan 0.000 0.487 690 V N 0.120 119.929 119.914 -0.175 0.000 2.656 690 V HA 0.407 4.528 4.120 0.002 0.000 0.307 690 V C -0.894 175.035 176.094 -0.275 0.000 1.051 690 V CA -0.644 61.531 62.300 -0.208 0.000 0.893 690 V CB 2.531 34.111 31.823 -0.406 0.000 0.999 690 V HN 0.108 nan 8.190 nan 0.000 0.426 691 E N 2.102 122.202 120.200 -0.167 0.000 2.266 691 E HA 0.484 4.835 4.350 0.002 0.000 0.268 691 E C -1.714 174.837 176.600 -0.082 0.000 0.879 691 E CA -0.687 55.622 56.400 -0.152 0.000 0.762 691 E CB 1.965 31.661 29.700 -0.007 0.000 1.199 691 E HN 0.682 nan 8.360 nan 0.000 0.422 692 Y N 3.347 123.637 120.300 -0.017 0.000 2.335 692 Y HA 0.365 4.916 4.550 0.002 0.000 0.331 692 Y C 0.187 176.069 175.900 -0.030 0.000 1.094 692 Y CA -0.534 57.578 58.100 0.019 0.000 1.253 692 Y CB 0.859 39.252 38.460 -0.113 0.000 1.203 692 Y HN 0.325 nan 8.280 nan 0.000 0.508 693 I N 4.168 124.869 120.570 0.217 0.000 2.534 693 I HA 0.139 4.310 4.170 0.002 0.000 0.288 693 I C -0.631 175.598 176.117 0.188 0.000 1.077 693 I CA -0.899 60.466 61.300 0.109 0.000 1.051 693 I CB 1.600 39.580 38.000 -0.033 0.000 1.234 693 I HN 0.634 nan 8.210 nan 0.000 0.425 694 D N 5.618 126.129 120.400 0.186 0.000 2.478 694 D HA 0.278 4.920 4.640 0.002 0.000 0.269 694 D C 1.052 177.465 176.300 0.189 0.000 1.232 694 D CA -0.425 53.707 54.000 0.219 0.000 1.059 694 D CB 1.182 42.109 40.800 0.212 0.000 1.104 694 D HN 0.480 nan 8.370 nan 0.000 0.566 695 A N -0.493 122.457 122.820 0.217 0.000 1.969 695 A HA -0.173 4.148 4.320 0.002 0.000 0.218 695 A C 2.029 179.739 177.584 0.209 0.000 1.169 695 A CA 1.957 54.119 52.037 0.209 0.000 0.635 695 A CB -0.827 18.349 19.000 0.293 0.000 0.810 695 A HN 0.686 nan 8.150 nan 0.000 0.445 696 E N 0.159 120.490 120.200 0.219 0.000 2.047 696 E HA -0.182 4.169 4.350 0.002 0.000 0.191 696 E C 1.903 178.619 176.600 0.193 0.000 0.987 696 E CA 1.622 58.166 56.400 0.240 0.000 0.799 696 E CB -0.224 29.642 29.700 0.276 0.000 0.752 696 E HN 0.682 nan 8.360 nan 0.000 0.449 697 E N -0.158 120.139 120.200 0.162 0.000 2.358 697 E HA -0.144 4.207 4.350 0.002 0.000 0.195 697 E C 1.499 178.157 176.600 0.097 0.000 1.010 697 E CA 0.405 56.874 56.400 0.114 0.000 0.856 697 E CB 0.030 29.786 29.700 0.093 0.000 0.795 697 E HN 0.310 nan 8.360 nan 0.000 0.504 698 E N 0.248 120.512 120.200 0.108 0.000 2.409 698 E HA -0.152 4.199 4.350 0.002 0.000 0.198 698 E C 1.457 178.106 176.600 0.082 0.000 1.024 698 E CA 0.365 56.816 56.400 0.084 0.000 0.861 698 E CB 0.264 30.016 29.700 0.087 0.000 0.788 698 E HN 0.193 nan 8.360 nan 0.000 0.521 699 E N -0.137 120.131 120.200 0.112 0.000 2.150 699 E HA -0.094 4.258 4.350 0.002 0.000 0.193 699 E C 1.437 178.076 176.600 0.066 0.000 0.985 699 E CA 1.100 57.564 56.400 0.107 0.000 0.814 699 E CB 0.199 29.981 29.700 0.137 0.000 0.752 699 E HN 0.189 nan 8.360 nan 0.000 0.466 700 S N 0.042 115.781 115.700 0.065 0.000 2.588 700 S HA 0.307 4.779 4.470 0.002 0.000 0.245 700 S C 0.575 175.214 174.600 0.065 0.000 1.021 700 S CA -0.678 57.552 58.200 0.050 0.000 1.006 700 S CB -0.878 62.348 63.200 0.043 0.000 0.830 700 S HN 0.195 nan 8.310 nan 0.000 0.468 701 I N -2.298 118.319 120.570 0.079 0.000 2.892 701 I HA 0.817 4.988 4.170 0.002 0.000 0.306 701 I C -1.332 174.840 176.117 0.091 0.000 1.078 701 I CA -1.643 59.735 61.300 0.130 0.000 1.032 701 I CB 1.795 39.933 38.000 0.231 0.000 1.229 701 I HN 0.051 nan 8.210 nan 0.000 0.435 702 L N 5.014 126.301 121.223 0.106 0.000 2.341 702 L HA 0.665 5.006 4.340 0.002 0.000 0.278 702 L C -1.063 175.944 176.870 0.229 0.000 1.005 702 L CA -0.322 54.559 54.840 0.068 0.000 0.818 702 L CB 1.512 43.506 42.059 -0.108 0.000 1.259 702 L HN 0.562 nan 8.230 nan 0.000 0.418 703 I N 4.623 125.338 120.570 0.242 0.000 2.406 703 I HA 0.597 4.769 4.170 0.002 0.000 0.290 703 I C 0.050 176.368 176.117 0.335 0.000 0.999 703 I CA -0.762 60.705 61.300 0.279 0.000 1.124 703 I CB 1.926 40.017 38.000 0.151 0.000 1.289 703 I HN 0.739 nan 8.210 nan 0.000 0.441 704 A N 5.649 128.589 122.820 0.201 0.000 2.362 704 A HA 0.368 4.689 4.320 0.002 0.000 0.276 704 A C 0.721 178.285 177.584 -0.033 0.000 1.153 704 A CA -0.380 51.577 52.037 -0.134 0.000 0.813 704 A CB 0.749 19.432 19.000 -0.529 0.000 1.081 704 A HN 0.859 nan 8.150 nan 0.000 0.507 705 M N 1.483 121.063 119.600 -0.033 0.000 2.073 705 M HA -0.041 4.441 4.480 0.002 0.000 0.259 705 M C 0.908 177.173 176.300 -0.059 0.000 1.079 705 M CA 1.917 57.204 55.300 -0.022 0.000 1.131 705 M CB -0.098 32.483 32.600 -0.031 0.000 1.316 705 M HN 0.726 nan 8.290 nan 0.000 0.415 706 Q N 0.348 120.101 119.800 -0.079 0.000 2.333 706 Q HA 0.243 4.585 4.340 0.002 0.000 0.265 706 Q C -1.880 174.056 176.000 -0.107 0.000 0.989 706 Q CA -1.804 53.950 55.803 -0.080 0.000 0.842 706 Q CB 1.595 30.299 28.738 -0.056 0.000 1.262 706 Q HN 0.198 nan 8.270 nan 0.000 0.451 707 P HA -0.217 nan 4.420 nan 0.000 0.220 707 P C 0.601 177.827 177.300 -0.123 0.000 1.148 707 P CA 1.307 64.333 63.100 -0.123 0.000 0.803 707 P CB 0.339 31.973 31.700 -0.109 0.000 0.782 708 E N -0.391 119.758 120.200 -0.085 0.000 2.158 708 E HA -0.122 4.229 4.350 0.002 0.000 0.191 708 E C 1.141 177.681 176.600 -0.099 0.000 0.982 708 E CA 0.858 57.215 56.400 -0.070 0.000 0.823 708 E CB -0.536 29.149 29.700 -0.025 0.000 0.766 708 E HN 0.110 nan 8.360 nan 0.000 0.468 709 D N 0.954 121.286 120.400 -0.113 0.000 2.369 709 D HA 0.098 4.739 4.640 0.002 0.000 0.231 709 D C 1.086 177.179 176.300 -0.344 0.000 0.967 709 D CA 0.547 54.447 54.000 -0.166 0.000 0.905 709 D CB 0.204 40.990 40.800 -0.024 0.000 1.044 709 D HN 0.129 nan 8.370 nan 0.000 0.487 710 L N 1.427 122.512 121.223 -0.230 0.000 2.955 710 L HA 0.180 4.522 4.340 0.002 0.000 0.238 710 L C 1.087 177.750 176.870 -0.345 0.000 1.359 710 L CA 0.172 54.870 54.840 -0.236 0.000 1.214 710 L CB 0.163 42.101 42.059 -0.203 0.000 1.600 710 L HN -0.137 nan 8.230 nan 0.000 0.442 711 E N -0.624 119.417 120.200 -0.264 0.000 3.155 711 E HA 0.230 4.582 4.350 0.002 0.000 0.208 711 E C -1.603 174.960 176.600 -0.062 0.000 1.060 711 E CA 0.085 56.405 56.400 -0.132 0.000 1.522 711 E CB -0.568 29.078 29.700 -0.089 0.000 1.433 711 E HN 0.289 nan 8.360 nan 0.000 0.709 712 P HA 0.257 nan 4.420 nan 0.000 0.277 712 P C 0.137 177.360 177.300 -0.128 0.000 1.271 712 P CA 0.064 63.097 63.100 -0.112 0.000 0.795 712 P CB 0.759 32.406 31.700 -0.088 0.000 1.101 713 A N -0.046 122.709 122.820 -0.109 0.000 2.618 713 A HA 0.090 4.411 4.320 0.002 0.000 0.199 713 A C 0.823 178.400 177.584 -0.011 0.000 1.666 713 A CA 1.645 53.650 52.037 -0.054 0.000 0.621 713 A CB -1.180 17.781 19.000 -0.065 0.000 1.172 713 A HN 0.704 nan 8.150 nan 0.000 0.489 714 E N -3.809 116.385 120.200 -0.011 0.000 3.639 714 E HA -0.212 4.139 4.350 0.002 0.000 0.194 714 E C 1.080 177.687 176.600 0.013 0.000 1.048 714 E CA 0.842 57.248 56.400 0.009 0.000 2.340 714 E CB -1.598 28.122 29.700 0.033 0.000 1.690 714 E HN 0.875 nan 8.360 nan 0.000 0.476 715 A N 0.485 123.317 122.820 0.021 0.000 1.949 715 A HA 0.439 4.760 4.320 0.002 0.000 0.200 715 A C 0.556 178.156 177.584 0.027 0.000 1.832 715 A CA 1.212 53.278 52.037 0.049 0.000 1.004 715 A CB 0.619 19.646 19.000 0.044 0.000 1.102 715 A HN 0.267 nan 8.150 nan 0.000 0.595 721 L N 0.164 121.397 121.223 0.017 0.000 3.333 721 L HA -0.221 4.120 4.340 0.002 0.000 0.334 721 L C -0.176 176.707 176.870 0.023 0.000 1.110 721 L CA 1.190 56.042 54.840 0.019 0.000 1.246 721 L CB -0.673 41.396 42.059 0.018 0.000 1.205 721 L HN 0.731 nan 8.230 nan 0.000 0.505 722 D N -1.372 119.042 120.400 0.024 0.000 3.012 722 D HA -0.159 4.482 4.640 0.002 0.000 0.222 722 D C 0.645 176.964 176.300 0.032 0.000 1.167 722 D CA 1.165 55.181 54.000 0.028 0.000 0.854 722 D CB -0.630 40.185 40.800 0.026 0.000 1.107 722 D HN 0.630 nan 8.370 nan 0.000 0.421 723 V N -2.740 117.193 119.914 0.032 0.000 3.646 723 V HA 0.219 4.341 4.120 0.002 0.000 0.277 723 V C 0.625 176.744 176.094 0.041 0.000 1.274 723 V CA 0.472 62.794 62.300 0.037 0.000 1.164 723 V CB 0.103 31.946 31.823 0.033 0.000 0.926 723 V HN 0.308 nan 8.190 nan 0.000 0.442 724 D N 1.965 122.389 120.400 0.040 0.000 6.041 724 D HA -0.092 4.549 4.640 0.002 0.000 0.239 724 D C -2.164 174.161 176.300 0.042 0.000 1.667 724 D CA 0.734 54.760 54.000 0.044 0.000 1.478 724 D CB 0.284 41.116 40.800 0.052 0.000 0.683 724 D HN 0.464 nan 8.370 nan 0.000 0.375 725 P HA 0.312 nan 4.420 nan 0.000 0.243 725 P C 0.102 177.425 177.300 0.039 0.000 1.668 725 P CA 0.441 63.562 63.100 0.035 0.000 0.898 725 P CB 0.277 31.995 31.700 0.031 0.000 1.637 726 A N -1.043 121.805 122.820 0.046 0.000 1.998 726 A HA 0.127 4.448 4.320 0.002 0.000 0.180 726 A C 0.852 178.474 177.584 0.064 0.000 1.858 726 A CA 0.009 52.077 52.037 0.051 0.000 1.403 726 A CB 0.128 19.158 19.000 0.050 0.000 1.550 726 A HN 0.019 nan 8.150 nan 0.000 0.385 727 K N 1.553 121.994 120.400 0.068 0.000 2.219 727 K HA 0.244 4.566 4.320 0.002 0.000 0.258 727 K C 0.107 176.754 176.600 0.079 0.000 1.008 727 K CA -0.405 55.931 56.287 0.083 0.000 0.928 727 K CB 0.477 33.027 32.500 0.083 0.000 0.983 727 K HN 0.601 nan 8.250 nan 0.000 0.484 728 R N 1.355 121.910 120.500 0.093 0.000 2.643 728 R HA 0.149 4.491 4.340 0.002 0.000 0.270 728 R C -0.265 176.075 176.300 0.066 0.000 1.061 728 R CA -0.110 56.039 56.100 0.081 0.000 1.107 728 R CB -0.073 30.286 30.300 0.097 0.000 0.999 728 R HN 0.400 nan 8.270 nan 0.000 0.460 729 I N 2.974 123.574 120.570 0.051 0.000 2.301 729 I HA 0.246 4.418 4.170 0.002 0.000 0.292 729 I C 0.692 176.828 176.117 0.031 0.000 1.046 729 I CA -0.383 60.939 61.300 0.037 0.000 1.282 729 I CB 0.847 38.862 38.000 0.026 0.000 1.409 729 I HN 0.452 nan 8.210 nan 0.000 0.484 730 R N 4.136 124.653 120.500 0.030 0.000 2.528 730 R HA 0.557 4.898 4.340 0.002 0.000 0.271 730 R C -0.448 175.844 176.300 -0.013 0.000 1.056 730 R CA -0.804 55.309 56.100 0.021 0.000 1.117 730 R CB 1.506 31.833 30.300 0.044 0.000 1.085 730 R HN 0.361 nan 8.270 nan 0.000 0.530 731 V N 1.137 121.041 119.914 -0.016 0.000 3.051 731 V HA 0.028 4.149 4.120 0.002 0.000 0.306 731 V C 0.616 176.629 176.094 -0.135 0.000 1.083 731 V CA -0.247 62.031 62.300 -0.037 0.000 1.104 731 V CB 1.354 33.178 31.823 0.002 0.000 1.027 731 V HN 0.756 nan 8.190 nan 0.000 0.483 732 S N 1.092 116.685 115.700 -0.177 0.000 2.584 732 S HA 0.155 4.626 4.470 0.002 0.000 0.270 732 S C 0.321 174.702 174.600 -0.366 0.000 1.346 732 S CA -0.392 57.547 58.200 -0.435 0.000 1.018 732 S CB -0.021 62.922 63.200 -0.429 0.000 0.899 732 S HN 0.800 nan 8.310 nan 0.000 0.542 733 H N 1.363 120.347 119.070 -0.144 0.000 2.553 733 H HA 0.226 4.783 4.556 0.002 0.000 0.222 733 H C -0.353 174.961 175.328 -0.023 0.000 1.779 733 H CA -0.108 55.923 56.048 -0.028 0.000 1.241 733 H CB -1.055 28.691 29.762 -0.027 0.000 1.647 733 H HN 0.539 nan 8.280 nan 0.000 0.523 734 H N 1.181 120.336 119.070 0.141 0.000 2.683 734 H HA 0.390 4.947 4.556 0.002 0.000 0.339 734 H C 0.560 175.929 175.328 0.068 0.000 1.081 734 H CA 0.547 56.641 56.048 0.077 0.000 1.432 734 H CB 0.835 30.608 29.762 0.018 0.000 1.462 734 H HN 0.774 nan 8.280 nan 0.000 0.557 735 A N 2.129 125.049 122.820 0.166 0.000 2.436 735 A HA -0.138 4.183 4.320 0.002 0.000 0.686 735 A C 0.478 178.088 177.584 0.043 0.000 0.139 735 A CA 0.365 52.423 52.037 0.035 0.000 0.026 735 A CB -1.311 17.639 19.000 -0.083 0.000 3.974 735 A HN 0.984 nan 8.150 nan 0.000 0.548 736 T N -0.830 113.738 114.554 0.023 0.000 3.427 736 T HA 0.586 4.937 4.350 0.002 0.000 0.306 736 T C 0.364 175.078 174.700 0.024 0.000 1.733 736 T CA 0.520 62.681 62.100 0.102 0.000 1.599 736 T CB -0.195 68.736 68.868 0.106 0.000 0.964 736 T HN 2.057 nan 8.240 nan 0.000 0.701 737 T N -1.760 112.714 114.554 -0.135 0.000 3.337 737 T HA 0.384 4.736 4.350 0.002 0.000 0.299 737 T C -0.002 174.611 174.700 -0.145 0.000 0.998 737 T CA -0.545 61.478 62.100 -0.128 0.000 0.948 737 T CB -0.675 68.101 68.868 -0.153 0.000 1.170 737 T HN 0.364 nan 8.240 nan 0.000 0.508 738 F N 3.327 123.282 119.950 0.009 0.000 2.578 738 F HA 0.304 4.832 4.527 0.002 0.000 0.376 738 F C 2.064 177.842 175.800 -0.035 0.000 1.085 738 F CA 0.378 58.380 58.000 0.004 0.000 1.260 738 F CB 0.982 39.994 39.000 0.019 0.000 1.095 738 F HN 0.261 nan 8.300 nan 0.000 0.573 739 T N -1.577 113.037 114.554 0.101 0.000 3.038 739 T HA 0.217 4.569 4.350 0.002 0.000 0.244 739 T C 0.160 174.660 174.700 -0.333 0.000 1.016 739 T CA 0.176 62.191 62.100 -0.141 0.000 1.098 739 T CB -0.147 68.595 68.868 -0.211 0.000 0.954 739 T HN 0.527 nan 8.240 nan 0.000 0.469 740 H N -0.837 118.324 119.070 0.152 0.000 2.834 740 H HA 0.764 5.321 4.556 0.002 0.000 0.369 740 H C -1.180 174.248 175.328 0.167 0.000 1.174 740 H CA -0.905 55.228 56.048 0.143 0.000 1.165 740 H CB 1.966 31.796 29.762 0.113 0.000 1.820 740 H HN 0.344 nan 8.280 nan 0.000 0.558 741 C N 1.393 120.885 119.300 0.320 0.000 2.698 741 C HA 0.426 4.887 4.460 0.002 0.000 0.309 741 C C -0.502 174.634 174.990 0.244 0.000 1.186 741 C CA -0.513 58.660 59.018 0.258 0.000 1.474 741 C CB 0.910 28.798 27.740 0.245 0.000 2.020 741 C HN 0.929 nan 8.230 nan 0.000 0.474 742 E N 3.236 123.532 120.200 0.161 0.000 2.360 742 E HA 0.243 4.594 4.350 0.002 0.000 0.269 742 E C 1.045 177.684 176.600 0.066 0.000 1.022 742 E CA -0.121 56.328 56.400 0.081 0.000 0.887 742 E CB 0.465 30.220 29.700 0.092 0.000 0.990 742 E HN 0.483 nan 8.360 nan 0.000 0.426 743 I N 2.829 123.319 120.570 -0.133 0.000 2.110 743 I HA -0.088 4.083 4.170 0.002 0.000 0.236 743 I C 0.886 176.976 176.117 -0.046 0.000 1.068 743 I CA 1.485 62.687 61.300 -0.164 0.000 1.333 743 I CB -0.945 36.819 38.000 -0.394 0.000 1.054 743 I HN 0.559 nan 8.210 nan 0.000 0.402 744 H N 1.559 120.498 119.070 -0.218 0.000 3.128 744 H HA 0.191 4.748 4.556 0.002 0.000 0.336 744 H C -2.105 173.182 175.328 -0.067 0.000 1.026 744 H CA -1.052 54.874 56.048 -0.202 0.000 1.376 744 H CB 2.920 32.351 29.762 -0.552 0.000 1.882 744 H HN -0.147 nan 8.280 nan 0.000 0.479 745 P HA -0.121 nan 4.420 nan 0.000 0.231 745 P C 1.085 178.551 177.300 0.276 0.000 1.158 745 P CA 0.825 63.951 63.100 0.044 0.000 0.763 745 P CB 0.133 31.719 31.700 -0.190 0.000 0.805 746 S N -1.655 114.353 115.700 0.512 0.000 2.515 746 S HA 0.012 4.483 4.470 0.002 0.000 0.231 746 S C 1.569 176.285 174.600 0.193 0.000 0.987 746 S CA 0.467 58.922 58.200 0.423 0.000 0.936 746 S CB -0.756 62.744 63.200 0.500 0.000 0.766 746 S HN -0.040 nan 8.310 nan 0.000 0.528 747 M N 1.730 121.393 119.600 0.105 0.000 2.494 747 M HA 0.359 4.840 4.480 0.002 0.000 0.232 747 M C 1.573 177.811 176.300 -0.102 0.000 1.137 747 M CA -0.008 55.294 55.300 0.003 0.000 1.012 747 M CB -1.037 31.526 32.600 -0.062 0.000 1.567 747 M HN 0.588 nan 8.290 nan 0.000 0.486 748 I N -2.099 118.373 120.570 -0.164 0.000 2.928 748 I HA 0.019 4.191 4.170 0.002 0.000 0.266 748 I C 0.665 176.661 176.117 -0.202 0.000 1.234 748 I CA 0.269 61.382 61.300 -0.311 0.000 1.483 748 I CB -0.191 37.437 38.000 -0.620 0.000 1.097 748 I HN -0.017 nan 8.210 nan 0.000 0.455 749 L N 1.716 122.875 121.223 -0.107 0.000 2.475 749 L HA 0.557 4.898 4.340 0.002 0.000 0.253 749 L C 0.586 177.421 176.870 -0.059 0.000 1.198 749 L CA -0.277 54.518 54.840 -0.075 0.000 0.814 749 L CB 0.425 42.456 42.059 -0.045 0.000 1.134 749 L HN 0.164 nan 8.230 nan 0.000 0.478 750 G N -0.134 108.633 108.800 -0.055 0.000 2.866 750 G HA2 0.488 4.450 3.960 0.002 0.000 0.291 750 G HA3 0.488 4.450 3.960 0.002 0.000 0.291 750 G C 0.242 175.122 174.900 -0.034 0.000 1.476 750 G CA -0.216 44.861 45.100 -0.038 0.000 1.048 750 G HN 0.537 nan 8.290 nan 0.000 0.542 751 V N 1.620 121.521 119.914 -0.022 0.000 0.643 751 V HA -0.462 3.659 4.120 0.002 0.000 0.092 751 V C 3.000 179.053 176.094 -0.067 0.000 1.388 751 V CA 3.058 65.337 62.300 -0.036 0.000 3.247 751 V CB -1.886 29.921 31.823 -0.027 0.000 0.496 751 V HN 1.298 nan 8.190 nan 0.000 0.497 752 A N -0.281 122.505 122.820 -0.057 0.000 1.969 752 A HA 0.222 4.544 4.320 0.002 0.000 0.218 752 A C 2.141 179.673 177.584 -0.087 0.000 1.169 752 A CA 3.041 55.038 52.037 -0.065 0.000 0.635 752 A CB -0.630 18.349 19.000 -0.036 0.000 0.810 752 A HN 1.618 nan 8.150 nan 0.000 0.445 753 A N -0.683 122.092 122.820 -0.076 0.000 2.067 753 A HA 0.076 4.398 4.320 0.002 0.000 0.217 753 A C 2.235 179.756 177.584 -0.104 0.000 1.156 753 A CA 1.519 53.509 52.037 -0.080 0.000 0.683 753 A CB -0.508 18.455 19.000 -0.061 0.000 0.808 753 A HN 0.415 nan 8.150 nan 0.000 0.455 754 S N 0.050 115.684 115.700 -0.109 0.000 2.453 754 S HA -0.019 4.452 4.470 0.002 0.000 0.231 754 S C 1.553 176.029 174.600 -0.207 0.000 1.005 754 S CA 1.075 59.201 58.200 -0.123 0.000 0.949 754 S CB -0.412 62.739 63.200 -0.082 0.000 0.774 754 S HN 0.612 nan 8.310 nan 0.000 0.510 755 I N 1.200 121.614 120.570 -0.260 0.000 2.546 755 I HA 0.006 4.177 4.170 0.002 0.000 0.255 755 I C 0.368 176.293 176.117 -0.319 0.000 1.163 755 I CA 0.529 61.591 61.300 -0.397 0.000 1.457 755 I CB -0.352 37.363 38.000 -0.475 0.000 1.092 755 I HN 0.150 nan 8.210 nan 0.000 0.434 756 I N 4.222 124.650 120.570 -0.238 0.000 2.587 756 I HA 0.036 4.207 4.170 0.002 0.000 0.284 756 I C -1.980 174.024 176.117 -0.189 0.000 1.134 756 I CA -1.486 59.682 61.300 -0.220 0.000 1.410 756 I CB -0.147 37.758 38.000 -0.158 0.000 1.392 756 I HN -0.118 nan 8.210 nan 0.000 0.545 757 P HA 0.126 nan 4.420 nan 0.000 0.281 757 P C -0.395 176.974 177.300 0.115 0.000 1.252 757 P CA -0.259 62.770 63.100 -0.118 0.000 0.778 757 P CB 0.381 32.085 31.700 0.006 0.000 0.895 758 F N 2.046 122.006 119.950 0.017 0.000 2.773 758 F HA -0.165 4.363 4.527 0.002 0.000 0.251 758 F C -1.011 174.877 175.800 0.146 0.000 1.020 758 F CA -0.119 57.943 58.000 0.105 0.000 0.924 758 F CB -1.786 37.250 39.000 0.061 0.000 0.919 758 F HN 0.369 nan 8.300 nan 0.000 0.846 759 P HA -0.142 nan 4.420 nan 0.000 0.223 759 P C 1.071 178.416 177.300 0.076 0.000 1.151 759 P CA 1.681 64.829 63.100 0.080 0.000 0.787 759 P CB 0.039 31.718 31.700 -0.035 0.000 0.788 760 D N -1.332 119.075 120.400 0.013 0.000 2.358 760 D HA -0.145 4.497 4.640 0.002 0.000 0.241 760 D C 0.864 177.028 176.300 -0.226 0.000 1.094 760 D CA 0.528 54.487 54.000 -0.068 0.000 0.907 760 D CB -0.883 39.838 40.800 -0.131 0.000 0.893 760 D HN 0.367 nan 8.370 nan 0.000 0.528 761 H N -1.236 117.899 119.070 0.108 0.000 3.233 761 H HA 0.193 4.750 4.556 0.002 0.000 0.263 761 H C 0.113 175.480 175.328 0.066 0.000 1.168 761 H CA -0.569 55.527 56.048 0.080 0.000 1.159 761 H CB 0.648 30.445 29.762 0.057 0.000 1.593 761 H HN -0.003 nan 8.280 nan 0.000 0.580 762 N N 1.256 120.062 118.700 0.178 0.000 2.476 762 N HA 0.009 4.750 4.740 0.002 0.000 0.275 762 N C 1.177 176.745 175.510 0.097 0.000 1.190 762 N CA -0.064 53.070 53.050 0.141 0.000 0.977 762 N CB 1.532 40.125 38.487 0.176 0.000 1.200 762 N HN 0.201 nan 8.380 nan 0.000 0.515 763 Q N 0.500 120.349 119.800 0.081 0.000 2.437 763 Q HA -0.140 4.201 4.340 0.002 0.000 0.210 763 Q C 0.177 176.221 176.000 0.073 0.000 0.972 763 Q CA 1.074 56.915 55.803 0.065 0.000 0.903 763 Q CB 0.187 28.955 28.738 0.049 0.000 0.967 763 Q HN 0.722 nan 8.270 nan 0.000 0.486 764 S N -1.520 114.231 115.700 0.085 0.000 1.356 764 S HA -0.142 4.329 4.470 0.002 0.000 0.252 764 S C -1.724 172.935 174.600 0.098 0.000 0.626 764 S CA 0.746 58.995 58.200 0.083 0.000 1.154 764 S CB -2.036 61.206 63.200 0.070 0.000 0.913 764 S HN 0.391 nan 8.310 nan 0.000 0.491 765 P HA -0.055 nan 4.420 nan 0.000 0.218 765 P C 1.460 178.934 177.300 0.289 0.000 1.146 765 P CA 1.345 64.556 63.100 0.186 0.000 0.813 765 P CB -0.159 31.663 31.700 0.204 0.000 0.778 766 R N -0.796 119.814 120.500 0.183 0.000 2.148 766 R HA -0.011 4.331 4.340 0.002 0.000 0.227 766 R C 1.644 178.045 176.300 0.169 0.000 1.103 766 R CA 0.906 57.100 56.100 0.156 0.000 0.983 766 R CB -1.228 29.130 30.300 0.096 0.000 0.874 766 R HN 0.340 nan 8.270 nan 0.000 0.451 767 N N -0.162 118.616 118.700 0.131 0.000 2.270 767 N HA -0.069 4.673 4.740 0.002 0.000 0.181 767 N C 1.519 177.070 175.510 0.068 0.000 1.016 767 N CA 1.313 54.410 53.050 0.078 0.000 0.870 767 N CB -0.285 38.232 38.487 0.051 0.000 0.979 767 N HN 0.144 nan 8.380 nan 0.000 0.431 768 T N 0.459 115.066 114.554 0.088 0.000 2.821 768 T HA -0.070 4.282 4.350 0.002 0.000 0.267 768 T C 1.695 176.399 174.700 0.006 0.000 1.046 768 T CA 0.866 62.982 62.100 0.026 0.000 1.139 768 T CB -0.376 68.490 68.868 -0.003 0.000 0.871 768 T HN 0.243 nan 8.240 nan 0.000 0.454 769 Y N 1.371 121.672 120.300 0.001 0.000 2.181 769 Y HA -0.165 4.386 4.550 0.002 0.000 0.288 769 Y C 2.895 178.792 175.900 -0.005 0.000 1.146 769 Y CA 1.347 59.447 58.100 0.001 0.000 1.164 769 Y CB -0.251 38.217 38.460 0.013 0.000 0.982 769 Y HN 0.126 nan 8.280 nan 0.000 0.515 770 Q N 0.063 119.952 119.800 0.149 0.000 2.167 770 Q HA -0.123 4.219 4.340 0.002 0.000 0.202 770 Q C 2.106 178.115 176.000 0.016 0.000 0.970 770 Q CA 1.869 57.706 55.803 0.057 0.000 0.855 770 Q CB -0.354 28.386 28.738 0.003 0.000 0.911 770 Q HN 0.284 nan 8.270 nan 0.000 0.438 771 S N -0.052 115.651 115.700 0.006 0.000 2.370 771 S HA -0.148 4.324 4.470 0.002 0.000 0.226 771 S C 1.763 176.356 174.600 -0.012 0.000 1.033 771 S CA 1.246 59.436 58.200 -0.016 0.000 1.011 771 S CB -0.459 62.724 63.200 -0.028 0.000 0.852 771 S HN 0.611 nan 8.310 nan 0.000 0.457 772 A N -0.119 122.690 122.820 -0.017 0.000 2.178 772 A HA 0.325 4.646 4.320 0.002 0.000 0.211 772 A C 1.870 179.453 177.584 -0.001 0.000 1.157 772 A CA 0.335 52.360 52.037 -0.019 0.000 0.780 772 A CB -0.325 18.643 19.000 -0.054 0.000 0.828 772 A HN 0.467 nan 8.150 nan 0.000 0.476 773 M N -0.742 118.867 119.600 0.016 0.000 2.476 773 M HA 0.112 4.594 4.480 0.002 0.000 0.262 773 M C 1.852 178.168 176.300 0.027 0.000 1.111 773 M CA 1.063 56.379 55.300 0.026 0.000 1.127 773 M CB 0.080 32.712 32.600 0.053 0.000 1.376 773 M HN 0.402 nan 8.290 nan 0.000 0.465 774 G N -0.017 108.801 108.800 0.031 0.000 2.471 774 G HA2 -0.168 3.794 3.960 0.002 0.000 0.219 774 G HA3 -0.168 3.794 3.960 0.002 0.000 0.219 774 G C 1.424 176.369 174.900 0.074 0.000 1.125 774 G CA 0.662 45.794 45.100 0.054 0.000 0.775 774 G HN 0.339 nan 8.290 nan 0.000 0.548 775 K N 0.343 120.778 120.400 0.059 0.000 2.103 775 K HA 0.034 4.355 4.320 0.002 0.000 0.204 775 K C 2.584 179.188 176.600 0.006 0.000 1.052 775 K CA 0.880 57.222 56.287 0.092 0.000 0.945 775 K CB -0.136 32.414 32.500 0.083 0.000 0.722 775 K HN 0.299 nan 8.250 nan 0.000 0.443 776 Q N 0.268 120.036 119.800 -0.054 0.000 2.369 776 Q HA 0.097 4.438 4.340 0.002 0.000 0.206 776 Q C 0.433 176.386 176.000 -0.079 0.000 0.963 776 Q CA 0.271 56.001 55.803 -0.122 0.000 0.894 776 Q CB 0.019 28.720 28.738 -0.062 0.000 0.965 776 Q HN 0.257 nan 8.270 nan 0.000 0.475 777 A N 0.746 123.566 122.820 -0.001 0.000 2.386 777 A HA 0.271 4.592 4.320 0.002 0.000 0.246 777 A C 0.210 177.832 177.584 0.064 0.000 1.089 777 A CA 0.099 52.157 52.037 0.036 0.000 0.790 777 A CB 0.337 19.393 19.000 0.093 0.000 1.042 777 A HN 0.164 nan 8.150 nan 0.000 0.497 778 M N -0.511 119.136 119.600 0.077 0.000 2.823 778 M HA 0.651 5.133 4.480 0.002 0.000 0.282 778 M C 0.590 176.972 176.300 0.136 0.000 1.177 778 M CA 0.550 55.913 55.300 0.105 0.000 0.871 778 M CB 2.030 34.682 32.600 0.086 0.000 1.595 778 M HN 1.230 nan 8.290 nan 0.000 0.524 779 G N -0.554 108.325 108.800 0.132 0.000 2.325 779 G HA2 0.081 4.042 3.960 0.002 0.000 0.285 779 G HA3 0.081 4.042 3.960 0.002 0.000 0.285 779 G C -1.839 173.114 174.900 0.089 0.000 1.303 779 G CA -1.112 44.049 45.100 0.102 0.000 0.970 779 G HN 0.548 nan 8.290 nan 0.000 0.490 780 V N 2.240 122.162 119.914 0.014 0.000 2.356 780 V HA 0.354 4.475 4.120 0.002 0.000 0.258 780 V C 1.517 177.593 176.094 -0.029 0.000 1.065 780 V CA 0.570 62.827 62.300 -0.073 0.000 0.935 780 V CB -0.388 31.372 31.823 -0.104 0.000 1.061 780 V HN 0.816 nan 8.190 nan 0.000 0.484 781 F N 4.269 124.238 119.950 0.033 0.000 2.206 781 F HA 0.342 4.870 4.527 0.002 0.000 0.298 781 F C 0.483 176.353 175.800 0.117 0.000 1.090 781 F CA 0.554 58.610 58.000 0.093 0.000 1.323 781 F CB -0.045 38.973 39.000 0.031 0.000 1.028 781 F HN 0.218 nan 8.300 nan 0.000 0.492 782 L N 0.002 120.885 121.223 -0.567 0.000 2.469 782 L HA 0.249 4.590 4.340 0.002 0.000 0.256 782 L C 0.939 177.613 176.870 -0.327 0.000 1.006 782 L CA -0.262 54.401 54.840 -0.295 0.000 0.832 782 L CB 2.277 44.269 42.059 -0.111 0.000 1.421 782 L HN 0.072 nan 8.230 nan 0.000 0.410 783 T N -3.366 111.087 114.554 -0.168 0.000 3.088 783 T HA -0.040 4.311 4.350 0.002 0.000 0.259 783 T C 0.832 175.371 174.700 -0.267 0.000 1.122 783 T CA 0.673 62.673 62.100 -0.166 0.000 1.095 783 T CB -0.437 68.414 68.868 -0.027 0.000 0.930 783 T HN 0.629 nan 8.240 nan 0.000 0.508 784 N N 1.074 119.638 118.700 -0.227 0.000 2.320 784 N HA 0.023 4.764 4.740 0.002 0.000 0.237 784 N C 0.971 176.353 175.510 -0.214 0.000 1.129 784 N CA -0.741 52.185 53.050 -0.207 0.000 0.854 784 N CB -0.843 37.580 38.487 -0.107 0.000 1.083 784 N HN 0.655 nan 8.380 nan 0.000 0.504 785 Y N -0.511 119.618 120.300 -0.285 0.000 2.497 785 Y HA 0.154 4.705 4.550 0.002 0.000 0.292 785 Y C 1.431 177.172 175.900 -0.265 0.000 1.137 785 Y CA 0.196 58.103 58.100 -0.322 0.000 1.285 785 Y CB -0.949 37.182 38.460 -0.548 0.000 0.991 785 Y HN 0.059 nan 8.280 nan 0.000 0.556 786 N N 0.538 119.003 118.700 -0.390 0.000 2.149 786 N HA -0.102 4.639 4.740 0.002 0.000 0.188 786 N C 0.021 175.497 175.510 -0.057 0.000 1.019 786 N CA 1.858 54.788 53.050 -0.200 0.000 0.857 786 N CB 0.024 38.349 38.487 -0.269 0.000 0.997 786 N HN 0.276 nan 8.380 nan 0.000 0.426 787 V N 1.710 121.586 119.914 -0.064 0.000 2.592 787 V HA 0.337 4.458 4.120 0.002 0.000 0.278 787 V C -0.221 175.876 176.094 0.005 0.000 1.087 787 V CA -0.255 62.035 62.300 -0.017 0.000 1.282 787 V CB 0.273 32.083 31.823 -0.023 0.000 1.543 787 V HN 0.111 nan 8.190 nan 0.000 0.606 788 R N 1.775 122.287 120.500 0.020 0.000 2.538 788 R HA 0.579 4.921 4.340 0.002 0.000 0.292 788 R C -0.759 175.564 176.300 0.037 0.000 1.008 788 R CA -0.704 55.420 56.100 0.041 0.000 0.896 788 R CB 2.226 32.575 30.300 0.082 0.000 1.187 788 R HN 0.196 nan 8.270 nan 0.000 0.440 789 M N 2.762 122.382 119.600 0.034 0.000 3.494 789 M HA 0.204 4.685 4.480 0.002 0.000 0.213 789 M C -0.859 175.436 176.300 -0.010 0.000 1.255 789 M CA -0.394 54.922 55.300 0.025 0.000 1.360 789 M CB -0.279 32.344 32.600 0.040 0.000 1.138 789 M HN 0.340 nan 8.290 nan 0.000 0.615 790 D N 1.240 121.615 120.400 -0.042 0.000 2.350 790 D HA 0.094 4.735 4.640 0.002 0.000 0.249 790 D C 1.423 177.647 176.300 -0.127 0.000 1.119 790 D CA 0.260 54.194 54.000 -0.111 0.000 0.886 790 D CB 1.307 41.989 40.800 -0.197 0.000 1.195 790 D HN 0.434 nan 8.370 nan 0.000 0.437 791 T N -0.311 114.161 114.554 -0.136 0.000 2.929 791 T HA -0.113 4.238 4.350 0.002 0.000 0.271 791 T C 0.997 175.581 174.700 -0.194 0.000 1.085 791 T CA 0.657 62.665 62.100 -0.154 0.000 1.125 791 T CB 0.329 69.131 68.868 -0.110 0.000 0.874 791 T HN 0.413 nan 8.240 nan 0.000 0.494 792 M N 0.493 119.964 119.600 -0.214 0.000 2.255 792 M HA 0.581 5.062 4.480 0.002 0.000 0.275 792 M C -2.244 173.867 176.300 -0.315 0.000 1.050 792 M CA -0.610 54.515 55.300 -0.292 0.000 0.978 792 M CB 2.027 34.507 32.600 -0.200 0.000 1.761 792 M HN 0.188 nan 8.290 nan 0.000 0.479 793 A N 3.830 126.434 122.820 -0.360 0.000 2.475 793 A HA 0.889 5.211 4.320 0.002 0.000 0.301 793 A C -1.655 175.828 177.584 -0.168 0.000 1.059 793 A CA -0.731 51.150 52.037 -0.261 0.000 0.710 793 A CB 1.727 20.622 19.000 -0.175 0.000 1.288 793 A HN 0.785 nan 8.150 nan 0.000 0.408 794 N N 0.639 119.317 118.700 -0.036 0.000 2.310 794 N HA 0.661 5.403 4.740 0.002 0.000 0.292 794 N C -1.698 173.873 175.510 0.102 0.000 1.049 794 N CA -0.119 52.965 53.050 0.055 0.000 0.849 794 N CB 1.853 40.374 38.487 0.057 0.000 1.532 794 N HN 0.569 nan 8.380 nan 0.000 0.479 795 I N 1.812 122.414 120.570 0.054 0.000 2.534 795 I HA 0.262 4.433 4.170 0.002 0.000 0.288 795 I C -0.499 175.636 176.117 0.031 0.000 1.077 795 I CA -0.756 60.517 61.300 -0.046 0.000 1.051 795 I CB 2.394 40.170 38.000 -0.374 0.000 1.234 795 I HN 0.224 nan 8.210 nan 0.000 0.425 796 L N 5.885 127.139 121.223 0.053 0.000 2.416 796 L HA 0.191 4.533 4.340 0.002 0.000 0.272 796 L C 0.571 177.485 176.870 0.072 0.000 1.161 796 L CA 0.586 55.494 54.840 0.113 0.000 0.845 796 L CB 0.312 42.440 42.059 0.114 0.000 1.119 796 L HN 0.454 nan 8.230 nan 0.000 0.464 797 Y N 4.060 124.299 120.300 -0.101 0.000 2.070 797 Y HA -0.184 4.367 4.550 0.002 0.000 0.280 797 Y C 0.275 175.914 175.900 -0.434 0.000 1.148 797 Y CA 1.865 59.777 58.100 -0.314 0.000 1.125 797 Y CB -0.275 37.943 38.460 -0.402 0.000 0.975 797 Y HN 0.504 nan 8.280 nan 0.000 0.492 798 Y N 0.278 120.677 120.300 0.165 0.000 2.805 798 Y HA 0.348 4.899 4.550 0.002 0.000 0.339 798 Y C -2.384 173.525 175.900 0.013 0.000 1.012 798 Y CA -3.057 55.080 58.100 0.062 0.000 1.262 798 Y CB 0.531 39.017 38.460 0.044 0.000 1.100 798 Y HN -0.070 nan 8.280 nan 0.000 0.559 799 P HA 0.139 nan 4.420 nan 0.000 0.271 799 P C -0.844 176.493 177.300 0.061 0.000 1.218 799 P CA -0.202 62.937 63.100 0.066 0.000 0.780 799 P CB 0.825 32.532 31.700 0.010 0.000 0.901 800 Q N 1.133 120.979 119.800 0.078 0.000 2.285 800 Q HA 0.214 4.556 4.340 0.002 0.000 0.269 800 Q C -0.523 175.530 176.000 0.088 0.000 1.030 800 Q CA -0.998 54.853 55.803 0.080 0.000 0.788 800 Q CB 2.314 31.114 28.738 0.103 0.000 1.266 800 Q HN 0.393 nan 8.270 nan 0.000 0.438 801 K N 2.274 122.652 120.400 -0.037 0.000 2.383 801 K HA 0.299 4.620 4.320 0.002 0.000 0.286 801 K C -2.314 174.189 176.600 -0.163 0.000 1.051 801 K CA -1.343 54.867 56.287 -0.130 0.000 0.974 801 K CB 0.069 32.486 32.500 -0.138 0.000 0.968 801 K HN 0.146 nan 8.250 nan 0.000 0.475 802 P HA -0.089 nan 4.420 nan 0.000 0.266 802 P C 0.511 177.675 177.300 -0.226 0.000 1.193 802 P CA -0.039 62.730 63.100 -0.550 0.000 0.770 802 P CB 0.682 31.797 31.700 -0.974 0.000 0.836 803 L N 1.242 122.392 121.223 -0.122 0.000 2.056 803 L HA -0.019 4.322 4.340 0.002 0.000 0.207 803 L C 1.713 178.531 176.870 -0.086 0.000 1.078 803 L CA 1.527 56.322 54.840 -0.076 0.000 0.749 803 L CB -0.953 41.086 42.059 -0.033 0.000 0.901 803 L HN 0.499 nan 8.230 nan 0.000 0.433 804 G N 0.284 109.031 108.800 -0.089 0.000 2.365 804 G HA2 0.397 4.358 3.960 0.002 0.000 0.293 804 G HA3 0.397 4.358 3.960 0.002 0.000 0.293 804 G C -0.265 174.531 174.900 -0.174 0.000 1.128 804 G CA -0.079 44.967 45.100 -0.089 0.000 0.971 804 G HN 0.167 nan 8.290 nan 0.000 0.422 805 T N -0.588 113.851 114.554 -0.193 0.000 2.907 805 T HA 0.736 5.088 4.350 0.002 0.000 0.292 805 T C -0.111 174.420 174.700 -0.281 0.000 1.043 805 T CA -0.744 61.219 62.100 -0.227 0.000 1.003 805 T CB 2.198 70.949 68.868 -0.195 0.000 1.084 805 T HN 0.273 nan 8.240 nan 0.000 0.483 806 T N 1.721 116.096 114.554 -0.299 0.000 2.918 806 T HA 0.413 4.764 4.350 0.002 0.000 0.286 806 T C 1.230 175.712 174.700 -0.363 0.000 1.026 806 T CA -1.053 60.854 62.100 -0.322 0.000 1.031 806 T CB 1.654 70.350 68.868 -0.286 0.000 1.046 806 T HN 0.456 nan 8.240 nan 0.000 0.479 807 R N 1.263 121.476 120.500 -0.479 0.000 2.241 807 R HA 0.000 4.342 4.340 0.002 0.000 0.224 807 R C 2.181 178.199 176.300 -0.470 0.000 1.101 807 R CA 0.855 56.536 56.100 -0.698 0.000 0.995 807 R CB -1.018 28.381 30.300 -1.501 0.000 0.870 807 R HN 0.738 nan 8.270 nan 0.000 0.463 808 A N 0.494 123.181 122.820 -0.222 0.000 2.014 808 A HA -0.061 4.260 4.320 0.002 0.000 0.218 808 A C 2.138 179.625 177.584 -0.162 0.000 1.163 808 A CA 0.801 52.817 52.037 -0.035 0.000 0.652 808 A CB -0.288 18.717 19.000 0.009 0.000 0.808 808 A HN 0.178 nan 8.150 nan 0.000 0.449 809 M N -0.925 118.531 119.600 -0.240 0.000 2.279 809 M HA -0.145 4.337 4.480 0.002 0.000 0.264 809 M C 2.033 178.200 176.300 -0.221 0.000 1.062 809 M CA 1.556 56.745 55.300 -0.186 0.000 1.099 809 M CB -0.285 32.219 32.600 -0.158 0.000 1.394 809 M HN 0.604 nan 8.290 nan 0.000 0.426 810 E N 0.244 120.184 120.200 -0.433 0.000 2.110 810 E HA -0.205 4.147 4.350 0.002 0.000 0.193 810 E C 1.351 177.629 176.600 -0.537 0.000 0.988 810 E CA 1.530 57.594 56.400 -0.560 0.000 0.804 810 E CB 0.081 29.269 29.700 -0.853 0.000 0.745 810 E HN 0.651 nan 8.360 nan 0.000 0.458 811 Y N -0.648 119.510 120.300 -0.236 0.000 2.503 811 Y HA 0.129 4.681 4.550 0.002 0.000 0.278 811 Y C 1.931 177.661 175.900 -0.282 0.000 1.111 811 Y CA -0.101 57.762 58.100 -0.395 0.000 1.270 811 Y CB 0.191 38.025 38.460 -1.043 0.000 1.063 811 Y HN -0.043 nan 8.280 nan 0.000 0.548 812 L N 0.441 121.619 121.223 -0.075 0.000 2.551 812 L HA -0.078 4.263 4.340 0.002 0.000 0.228 812 L C 0.503 177.478 176.870 0.175 0.000 1.153 812 L CA 0.614 55.475 54.840 0.035 0.000 0.851 812 L CB -0.232 41.838 42.059 0.018 0.000 0.959 812 L HN 0.135 nan 8.230 nan 0.000 0.451 813 K N -1.389 119.049 120.400 0.062 0.000 3.069 813 K HA -0.280 4.041 4.320 0.002 0.000 0.267 813 K C 0.712 177.263 176.600 -0.082 0.000 1.082 813 K CA 0.801 57.058 56.287 -0.051 0.000 0.782 813 K CB -2.410 30.039 32.500 -0.086 0.000 1.230 813 K HN 0.274 nan 8.250 nan 0.000 0.488 814 F N 1.010 120.887 119.950 -0.121 0.000 2.367 814 F HA 0.015 4.543 4.527 0.002 0.000 0.298 814 F C 2.146 177.846 175.800 -0.166 0.000 1.094 814 F CA 0.844 58.782 58.000 -0.103 0.000 1.409 814 F CB 0.184 39.133 39.000 -0.086 0.000 1.064 814 F HN 0.055 nan 8.300 nan 0.000 0.528 815 R N -0.133 120.310 120.500 -0.094 0.000 2.189 815 R HA -0.089 4.252 4.340 0.002 0.000 0.218 815 R C 1.478 177.634 176.300 -0.240 0.000 1.074 815 R CA 1.280 57.283 56.100 -0.161 0.000 0.991 815 R CB -0.203 30.021 30.300 -0.126 0.000 0.883 815 R HN 0.291 nan 8.270 nan 0.000 0.457 816 E N -0.105 119.895 120.200 -0.334 0.000 2.340 816 E HA 0.126 4.477 4.350 0.002 0.000 0.194 816 E C -0.145 176.168 176.600 -0.478 0.000 0.996 816 E CA 0.479 56.630 56.400 -0.415 0.000 0.869 816 E CB 0.552 29.863 29.700 -0.647 0.000 0.835 816 E HN 0.083 nan 8.360 nan 0.000 0.493 817 L N 1.552 122.458 121.223 -0.529 0.000 2.462 817 L HA 0.409 4.750 4.340 0.002 0.000 0.255 817 L C -2.502 174.020 176.870 -0.580 0.000 1.076 817 L CA -2.038 52.513 54.840 -0.482 0.000 0.920 817 L CB 1.530 43.258 42.059 -0.551 0.000 1.214 817 L HN -0.130 nan 8.230 nan 0.000 0.472 818 P HA 0.244 nan 4.420 nan 0.000 0.275 818 P C 0.127 177.222 177.300 -0.341 0.000 1.266 818 P CA -0.191 62.542 63.100 -0.611 0.000 0.793 818 P CB 1.322 32.893 31.700 -0.215 0.000 1.074 819 A N -0.446 122.343 122.820 -0.051 0.000 1.988 819 A HA 0.549 4.870 4.320 0.002 0.000 0.198 819 A C 1.105 178.798 177.584 0.182 0.000 1.507 819 A CA 1.303 53.453 52.037 0.188 0.000 0.901 819 A CB -0.608 18.662 19.000 0.449 0.000 1.007 819 A HN 0.583 nan 8.150 nan 0.000 0.502 820 G N -1.108 107.784 108.800 0.154 0.000 3.259 820 G HA2 0.562 4.523 3.960 0.002 0.000 0.178 820 G HA3 0.562 4.523 3.960 0.002 0.000 0.178 820 G C -1.161 173.602 174.900 -0.227 0.000 1.129 820 G CA -0.338 44.698 45.100 -0.107 0.000 0.816 820 G HN 0.281 nan 8.290 nan 0.000 0.634 821 Q N -0.241 119.289 119.800 -0.450 0.000 2.389 821 Q HA 0.294 4.635 4.340 0.002 0.000 0.277 821 Q C -1.176 174.736 176.000 -0.147 0.000 1.082 821 Q CA -0.754 54.882 55.803 -0.278 0.000 0.810 821 Q CB 2.498 30.909 28.738 -0.544 0.000 1.374 821 Q HN 0.474 nan 8.270 nan 0.000 0.422 822 N N 1.308 120.069 118.700 0.103 0.000 2.549 822 N HA 0.203 4.945 4.740 0.002 0.000 0.267 822 N C -0.983 174.544 175.510 0.028 0.000 1.182 822 N CA 0.006 53.154 53.050 0.163 0.000 1.019 822 N CB 0.731 39.312 38.487 0.157 0.000 1.380 822 N HN 0.458 nan 8.380 nan 0.000 0.505 823 A N 2.960 125.811 122.820 0.052 0.000 2.331 823 A HA 0.316 4.637 4.320 0.002 0.000 0.283 823 A C 0.545 178.098 177.584 -0.053 0.000 1.142 823 A CA -0.579 51.451 52.037 -0.012 0.000 0.812 823 A CB 0.572 19.594 19.000 0.036 0.000 1.074 823 A HN 0.479 nan 8.150 nan 0.000 0.497 824 I N 3.640 124.134 120.570 -0.127 0.000 2.483 824 I HA 0.080 4.251 4.170 0.002 0.000 0.291 824 I C -0.007 175.914 176.117 -0.326 0.000 1.112 824 I CA 0.434 61.578 61.300 -0.260 0.000 1.350 824 I CB -0.190 37.660 38.000 -0.250 0.000 1.419 824 I HN 0.227 nan 8.210 nan 0.000 0.523 825 V N 6.306 126.011 119.914 -0.349 0.000 2.427 825 V HA 0.624 4.746 4.120 0.002 0.000 0.286 825 V C 0.519 176.396 176.094 -0.362 0.000 1.034 825 V CA -0.738 61.414 62.300 -0.245 0.000 0.893 825 V CB 1.636 33.456 31.823 -0.006 0.000 0.982 825 V HN 0.826 nan 8.190 nan 0.000 0.452 826 A N 6.037 128.753 122.820 -0.174 0.000 2.328 826 A HA 0.682 5.004 4.320 0.002 0.000 0.318 826 A C -0.322 177.304 177.584 0.069 0.000 1.347 826 A CA -0.499 51.537 52.037 -0.003 0.000 0.842 826 A CB 0.125 19.239 19.000 0.190 0.000 1.148 826 A HN 0.811 nan 8.150 nan 0.000 0.499 827 I N 2.733 123.380 120.570 0.129 0.000 2.460 827 I HA 0.353 4.524 4.170 0.002 0.000 0.297 827 I C 0.696 176.885 176.117 0.120 0.000 1.139 827 I CA 0.627 62.004 61.300 0.128 0.000 1.340 827 I CB -0.047 38.054 38.000 0.168 0.000 1.444 827 I HN 0.684 nan 8.210 nan 0.000 0.557 828 A N 5.427 128.300 122.820 0.089 0.000 2.599 828 A HA 0.662 4.983 4.320 0.002 0.000 0.290 828 A C -1.256 176.387 177.584 0.098 0.000 1.101 828 A CA -0.524 51.574 52.037 0.101 0.000 0.674 828 A CB 1.317 20.397 19.000 0.133 0.000 1.277 828 A HN 0.567 nan 8.150 nan 0.000 0.419 829 C N 0.467 119.832 119.300 0.110 0.000 2.307 829 C HA 0.725 5.186 4.460 0.002 0.000 0.340 829 C C -0.832 174.308 174.990 0.250 0.000 1.275 829 C CA -0.085 59.009 59.018 0.127 0.000 1.811 829 C CB -0.810 26.963 27.740 0.055 0.000 2.372 829 C HN 0.628 nan 8.230 nan 0.000 0.531 830 Y N 2.441 122.793 120.300 0.087 0.000 2.361 830 Y HA 0.431 4.982 4.550 0.002 0.000 0.328 830 Y C 1.067 177.082 175.900 0.191 0.000 1.044 830 Y CA 0.737 58.905 58.100 0.113 0.000 1.085 830 Y CB 1.786 40.315 38.460 0.116 0.000 1.194 830 Y HN 1.015 nan 8.280 nan 0.000 0.438 831 S N 2.374 118.087 115.700 0.022 0.000 3.140 831 S HA -0.314 4.157 4.470 0.002 0.000 0.283 831 S C 1.098 175.767 174.600 0.115 0.000 1.462 831 S CA 1.820 60.104 58.200 0.140 0.000 3.164 831 S CB -1.913 61.532 63.200 0.408 0.000 1.477 831 S HN 2.340 nan 8.310 nan 0.000 0.493 832 G N -0.836 108.058 108.800 0.158 0.000 2.925 832 G HA2 0.275 4.236 3.960 0.002 0.000 0.224 832 G HA3 0.275 4.236 3.960 0.002 0.000 0.224 832 G C -0.078 174.742 174.900 -0.132 0.000 1.015 832 G CA 0.323 45.416 45.100 -0.011 0.000 1.026 832 G HN 0.715 nan 8.290 nan 0.000 0.608 833 Y N 0.902 121.269 120.300 0.112 0.000 2.462 833 Y HA 0.157 4.709 4.550 0.002 0.000 0.253 833 Y C 2.074 178.007 175.900 0.055 0.000 1.095 833 Y CA 0.638 58.781 58.100 0.072 0.000 1.283 833 Y CB 0.487 38.980 38.460 0.055 0.000 1.138 833 Y HN 0.391 nan 8.280 nan 0.000 0.522 834 N N 0.470 119.293 118.700 0.204 0.000 2.362 834 N HA -0.029 4.712 4.740 0.002 0.000 0.204 834 N C -0.038 175.529 175.510 0.096 0.000 1.166 834 N CA 0.033 53.160 53.050 0.127 0.000 0.831 834 N CB -0.130 38.427 38.487 0.117 0.000 1.008 834 N HN 0.359 nan 8.380 nan 0.000 0.472 835 Q N 0.788 120.639 119.800 0.085 0.000 2.299 835 Q HA 0.092 4.434 4.340 0.002 0.000 0.246 835 Q C -0.314 175.722 176.000 0.059 0.000 0.935 835 Q CA -0.265 55.584 55.803 0.076 0.000 0.887 835 Q CB 0.557 29.318 28.738 0.039 0.000 1.223 835 Q HN 0.153 nan 8.270 nan 0.000 0.439 836 E N 2.745 122.985 120.200 0.066 0.000 2.297 836 E HA -0.273 4.079 4.350 0.002 0.000 0.228 836 E C -1.109 175.513 176.600 0.037 0.000 1.213 836 E CA 1.215 57.639 56.400 0.039 0.000 0.712 836 E CB -1.387 28.322 29.700 0.015 0.000 1.202 836 E HN 0.868 nan 8.360 nan 0.000 0.376 837 D N -1.390 119.038 120.400 0.047 0.000 2.739 837 D HA -0.164 4.477 4.640 0.002 0.000 0.240 837 D C -0.187 176.143 176.300 0.049 0.000 1.114 837 D CA 1.487 55.512 54.000 0.042 0.000 0.695 837 D CB -1.190 39.626 40.800 0.027 0.000 1.078 837 D HN 0.502 nan 8.370 nan 0.000 0.434 838 S N -0.897 114.835 115.700 0.054 0.000 2.726 838 S HA 0.879 5.350 4.470 0.002 0.000 0.308 838 S C 0.084 174.713 174.600 0.048 0.000 1.115 838 S CA -1.129 57.105 58.200 0.056 0.000 0.965 838 S CB 2.342 65.581 63.200 0.064 0.000 1.145 838 S HN 0.317 nan 8.310 nan 0.000 0.532 839 M N 0.471 120.086 119.600 0.026 0.000 2.322 839 M HA 0.515 4.997 4.480 0.002 0.000 0.286 839 M C -1.794 174.474 176.300 -0.053 0.000 1.111 839 M CA -0.602 54.686 55.300 -0.020 0.000 0.941 839 M CB 1.078 33.631 32.600 -0.077 0.000 1.671 839 M HN 0.577 nan 8.290 nan 0.000 0.470 840 I N 3.636 124.189 120.570 -0.028 0.000 2.441 840 I HA 0.388 4.559 4.170 0.002 0.000 0.287 840 I C -0.212 175.839 176.117 -0.111 0.000 1.049 840 I CA 0.027 61.300 61.300 -0.046 0.000 1.381 840 I CB 1.140 39.183 38.000 0.072 0.000 1.409 840 I HN 0.760 nan 8.210 nan 0.000 0.523 841 M N 6.529 126.040 119.600 -0.148 0.000 2.321 841 M HA 0.269 4.750 4.480 0.002 0.000 0.315 841 M C -0.280 175.964 176.300 -0.093 0.000 1.052 841 M CA -0.505 54.695 55.300 -0.167 0.000 0.936 841 M CB 1.515 33.955 32.600 -0.267 0.000 1.639 841 M HN 0.571 nan 8.290 nan 0.000 0.433 842 N N 3.031 121.698 118.700 -0.056 0.000 2.423 842 N HA -0.093 4.648 4.740 0.002 0.000 0.275 842 N C 0.613 176.112 175.510 -0.018 0.000 1.283 842 N CA -0.012 53.032 53.050 -0.011 0.000 0.932 842 N CB 0.807 39.289 38.487 -0.008 0.000 1.185 842 N HN 0.684 nan 8.380 nan 0.000 0.483 843 Q N 2.626 122.423 119.800 -0.005 0.000 2.084 843 Q HA -0.127 4.214 4.340 0.002 0.000 0.202 843 Q C 1.458 177.456 176.000 -0.004 0.000 0.978 843 Q CA 1.805 57.600 55.803 -0.013 0.000 0.844 843 Q CB -0.118 28.616 28.738 -0.008 0.000 0.898 843 Q HN 0.635 nan 8.270 nan 0.000 0.426 844 S N -0.310 115.393 115.700 0.005 0.000 2.400 844 S HA -0.135 4.336 4.470 0.002 0.000 0.232 844 S C 1.983 176.579 174.600 -0.006 0.000 1.025 844 S CA 1.154 59.353 58.200 -0.001 0.000 0.993 844 S CB -0.282 62.917 63.200 -0.001 0.000 0.808 844 S HN 0.405 nan 8.310 nan 0.000 0.478 845 S N 1.466 117.161 115.700 -0.008 0.000 2.357 845 S HA 0.102 4.573 4.470 0.002 0.000 0.221 845 S C 1.803 176.401 174.600 -0.004 0.000 1.031 845 S CA 0.734 58.927 58.200 -0.013 0.000 0.982 845 S CB -0.334 62.855 63.200 -0.019 0.000 0.853 845 S HN 0.419 nan 8.310 nan 0.000 0.458 846 I N 2.074 122.644 120.570 0.000 0.000 2.208 846 I HA -0.236 3.936 4.170 0.002 0.000 0.245 846 I C 1.954 178.073 176.117 0.003 0.000 1.097 846 I CA 1.223 62.530 61.300 0.012 0.000 1.363 846 I CB -0.514 37.485 38.000 -0.001 0.000 1.051 846 I HN 0.146 nan 8.210 nan 0.000 0.413 847 D N 0.807 121.205 120.400 -0.003 0.000 2.149 847 D HA -0.162 4.479 4.640 0.002 0.000 0.198 847 D C 2.173 178.476 176.300 0.005 0.000 0.990 847 D CA 1.198 55.196 54.000 -0.004 0.000 0.839 847 D CB -0.225 40.573 40.800 -0.004 0.000 0.948 847 D HN 0.294 nan 8.370 nan 0.000 0.460 848 R N -0.802 119.702 120.500 0.008 0.000 2.323 848 R HA 0.225 4.566 4.340 0.002 0.000 0.198 848 R C 1.006 177.339 176.300 0.054 0.000 0.988 848 R CA 0.635 56.744 56.100 0.016 0.000 1.041 848 R CB 0.401 30.696 30.300 -0.009 0.000 0.926 848 R HN 0.193 nan 8.270 nan 0.000 0.476 849 G N 0.871 109.707 108.800 0.060 0.000 2.145 849 G HA2 -0.195 3.767 3.960 0.002 0.000 0.145 849 G HA3 -0.195 3.767 3.960 0.002 0.000 0.145 849 G C -0.388 174.592 174.900 0.133 0.000 1.017 849 G CA -0.669 44.504 45.100 0.123 0.000 0.682 849 G HN 0.158 nan 8.290 nan 0.000 0.504 850 L N 0.346 121.604 121.223 0.059 0.000 2.410 850 L HA 0.709 5.050 4.340 0.002 0.000 0.273 850 L C 1.278 178.226 176.870 0.131 0.000 1.152 850 L CA 0.377 55.228 54.840 0.019 0.000 0.855 850 L CB -0.445 41.608 42.059 -0.009 0.000 1.129 850 L HN 0.588 nan 8.230 nan 0.000 0.463 851 F N 2.261 122.268 119.950 0.096 0.000 2.935 851 F HA -0.284 4.244 4.527 0.002 0.000 0.317 851 F C 1.168 177.027 175.800 0.098 0.000 0.699 851 F CA 1.009 59.095 58.000 0.144 0.000 1.127 851 F CB -1.421 37.725 39.000 0.244 0.000 1.491 851 F HN 0.599 nan 8.300 nan 0.000 0.337 852 R N 0.904 121.476 120.500 0.119 0.000 2.698 852 R HA 0.396 4.738 4.340 0.002 0.000 0.266 852 R C 0.663 177.000 176.300 0.061 0.000 1.026 852 R CA 0.936 56.965 56.100 -0.117 0.000 1.102 852 R CB 0.706 30.620 30.300 -0.643 0.000 0.978 852 R HN 0.320 nan 8.270 nan 0.000 0.436 853 S N 1.779 117.548 115.700 0.115 0.000 2.618 853 S HA 0.559 5.030 4.470 0.002 0.000 0.277 853 S C -0.734 174.080 174.600 0.357 0.000 1.138 853 S CA -1.084 57.296 58.200 0.299 0.000 0.844 853 S CB 1.394 64.711 63.200 0.194 0.000 1.127 853 S HN 0.359 nan 8.310 nan 0.000 0.474 854 L N 1.244 122.646 121.223 0.299 0.000 2.331 854 L HA 0.676 5.018 4.340 0.002 0.000 0.275 854 L C -1.237 175.804 176.870 0.284 0.000 1.022 854 L CA -0.754 54.244 54.840 0.262 0.000 0.812 854 L CB 1.526 43.720 42.059 0.225 0.000 1.257 854 L HN 0.779 nan 8.230 nan 0.000 0.435 855 F N 2.102 122.077 119.950 0.042 0.000 2.507 855 F HA 0.554 5.082 4.527 0.003 0.000 0.328 855 F C -1.145 174.612 175.800 -0.071 0.000 1.136 855 F CA -0.474 57.548 58.000 0.037 0.000 0.930 855 F CB 1.044 40.033 39.000 -0.019 0.000 1.166 855 F HN 0.086 nan 8.300 nan 0.000 0.436 856 F N 5.443 125.137 119.950 -0.427 0.000 2.495 856 F HA 0.658 5.187 4.527 0.004 0.000 0.327 856 F C -0.175 175.376 175.800 -0.416 0.000 1.103 856 F CA -0.698 57.141 58.000 -0.269 0.000 0.949 856 F CB 1.951 40.846 39.000 -0.175 0.000 1.142 856 F HN 0.374 nan 8.300 nan 0.000 0.457 857 R N 1.348 121.800 120.500 -0.080 0.000 2.604 857 R HA 0.684 5.025 4.340 0.002 0.000 0.281 857 R C -1.402 174.752 176.300 -0.243 0.000 1.020 857 R CA -0.557 55.432 56.100 -0.186 0.000 0.899 857 R CB 1.911 32.151 30.300 -0.100 0.000 1.205 857 R HN 0.780 nan 8.270 nan 0.000 0.450 858 S N 2.067 117.544 115.700 -0.371 0.000 2.536 858 S HA 0.596 5.067 4.470 0.002 0.000 0.298 858 S C -1.302 172.988 174.600 -0.518 0.000 1.083 858 S CA -0.714 57.301 58.200 -0.309 0.000 0.995 858 S CB 1.333 64.469 63.200 -0.106 0.000 1.058 858 S HN 0.487 nan 8.310 nan 0.000 0.488 859 Y N 0.814 121.126 120.300 0.020 0.000 2.361 859 Y HA 0.573 5.125 4.550 0.003 0.000 0.337 859 Y C 0.039 175.944 175.900 0.008 0.000 0.965 859 Y CA -0.963 57.152 58.100 0.025 0.000 1.091 859 Y CB 1.855 40.329 38.460 0.023 0.000 1.182 859 Y HN 0.525 nan 8.280 nan 0.000 0.450 860 M N 3.407 123.123 119.600 0.193 0.000 2.404 860 M HA 0.435 4.916 4.480 0.002 0.000 0.338 860 M C -1.246 175.187 176.300 0.222 0.000 1.150 860 M CA -0.358 55.047 55.300 0.175 0.000 1.016 860 M CB 1.706 34.498 32.600 0.321 0.000 1.672 860 M HN 0.603 nan 8.290 nan 0.000 0.448 861 D N 1.757 122.283 120.400 0.209 0.000 2.977 861 D HA 0.281 4.923 4.640 0.002 0.000 0.220 861 D C -1.714 174.861 176.300 0.458 0.000 1.267 861 D CA -0.316 53.869 54.000 0.309 0.000 0.884 861 D CB 2.200 43.189 40.800 0.315 0.000 1.667 861 D HN 0.658 nan 8.370 nan 0.000 0.536 862 Q N 1.218 121.265 119.800 0.412 0.000 2.306 862 Q HA 0.331 4.672 4.340 0.002 0.000 0.265 862 Q C -0.629 175.502 176.000 0.219 0.000 1.022 862 Q CA -0.760 55.274 55.803 0.384 0.000 0.853 862 Q CB 2.553 31.433 28.738 0.236 0.000 1.327 862 Q HN 0.281 nan 8.270 nan 0.000 0.449 863 E N 2.039 122.358 120.200 0.199 0.000 2.070 863 E HA 0.062 4.414 4.350 0.002 0.000 0.282 863 E C -0.897 175.662 176.600 -0.069 0.000 1.104 863 E CA -0.122 56.291 56.400 0.022 0.000 0.876 863 E CB 0.544 30.285 29.700 0.068 0.000 1.055 863 E HN 0.127 nan 8.360 nan 0.000 0.401 864 K N 3.648 123.951 120.400 -0.163 0.000 2.278 864 K HA 0.060 4.381 4.320 0.002 0.000 0.289 864 K C 0.027 176.239 176.600 -0.646 0.000 1.080 864 K CA 0.118 56.198 56.287 -0.345 0.000 0.934 864 K CB 0.480 32.787 32.500 -0.322 0.000 1.093 864 K HN 0.171 nan 8.250 nan 0.000 0.459 865 K N 3.512 123.642 120.400 -0.450 0.000 2.201 865 K HA 0.168 4.489 4.320 0.002 0.000 0.278 865 K C -1.009 175.337 176.600 -0.422 0.000 1.027 865 K CA -0.397 55.662 56.287 -0.381 0.000 0.909 865 K CB 0.537 32.950 32.500 -0.146 0.000 1.062 865 K HN 0.302 nan 8.250 nan 0.000 0.465 866 Y N 1.065 121.371 120.300 0.010 0.000 2.453 866 Y HA 0.218 4.769 4.550 0.002 0.000 0.326 866 Y C 1.707 177.613 175.900 0.009 0.000 1.186 866 Y CA -0.450 57.656 58.100 0.009 0.000 1.200 866 Y CB 1.472 39.935 38.460 0.005 0.000 1.247 866 Y HN 0.871 nan 8.280 nan 0.000 0.482 867 G N 1.397 110.305 108.800 0.180 0.000 2.728 867 G HA2 -0.318 3.643 3.960 0.002 0.000 0.224 867 G HA3 -0.318 3.643 3.960 0.002 0.000 0.224 867 G C 0.829 175.774 174.900 0.075 0.000 1.139 867 G CA 1.230 46.388 45.100 0.097 0.000 0.761 867 G HN 0.620 nan 8.290 nan 0.000 0.621 868 M N 1.002 120.652 119.600 0.083 0.000 3.443 868 M HA 0.313 4.795 4.480 0.002 0.000 0.228 868 M C 0.947 177.284 176.300 0.062 0.000 1.227 868 M CA -0.038 55.297 55.300 0.059 0.000 1.321 868 M CB 0.510 33.137 32.600 0.045 0.000 1.134 868 M HN 0.153 nan 8.290 nan 0.000 0.567 869 S N -0.200 115.535 115.700 0.058 0.000 3.358 869 S HA -0.160 4.311 4.470 0.002 0.000 0.309 869 S C 0.283 174.916 174.600 0.055 0.000 1.247 869 S CA 0.603 58.830 58.200 0.044 0.000 0.961 869 S CB -1.810 61.409 63.200 0.032 0.000 1.074 869 S HN 0.663 nan 8.310 nan 0.000 0.625 870 I N 2.627 123.256 120.570 0.098 0.000 2.347 870 I HA 0.151 4.322 4.170 0.002 0.000 0.294 870 I C 0.634 176.811 176.117 0.100 0.000 1.090 870 I CA 0.360 61.741 61.300 0.134 0.000 1.314 870 I CB 0.535 38.667 38.000 0.221 0.000 1.423 870 I HN 0.031 nan 8.210 nan 0.000 0.503 871 T N 4.848 119.425 114.554 0.039 0.000 2.888 871 T HA 0.337 4.689 4.350 0.002 0.000 0.284 871 T C -0.029 174.655 174.700 -0.027 0.000 1.017 871 T CA -0.862 61.221 62.100 -0.028 0.000 1.022 871 T CB 1.591 70.450 68.868 -0.016 0.000 1.013 871 T HN 0.444 nan 8.240 nan 0.000 0.465 872 E N 1.136 121.285 120.200 -0.085 0.000 2.392 872 E HA 0.371 4.722 4.350 0.002 0.000 0.256 872 E C -0.340 176.186 176.600 -0.124 0.000 1.145 872 E CA -0.225 56.108 56.400 -0.113 0.000 0.929 872 E CB 0.579 30.165 29.700 -0.190 0.000 0.998 872 E HN 0.509 nan 8.360 nan 0.000 0.442 873 T N 1.318 115.766 114.554 -0.176 0.000 2.881 873 T HA 0.357 4.708 4.350 0.002 0.000 0.290 873 T C -0.825 173.751 174.700 -0.207 0.000 1.000 873 T CA -0.586 61.445 62.100 -0.116 0.000 0.978 873 T CB 0.414 69.256 68.868 -0.044 0.000 0.997 873 T HN 0.230 nan 8.240 nan 0.000 0.443 874 F N 3.566 123.527 119.950 0.019 0.000 2.313 874 F HA 0.419 4.947 4.527 0.001 0.000 0.369 874 F C 1.004 176.814 175.800 0.017 0.000 1.109 874 F CA -0.440 57.572 58.000 0.019 0.000 1.132 874 F CB 0.574 39.583 39.000 0.016 0.000 1.291 874 F HN 0.691 nan 8.300 nan 0.000 0.496 875 E N 1.342 121.654 120.200 0.186 0.000 2.408 875 E HA 0.354 4.706 4.350 0.002 0.000 0.266 875 E C -1.494 175.165 176.600 0.098 0.000 1.025 875 E CA -1.338 55.129 56.400 0.112 0.000 0.881 875 E CB 1.483 31.217 29.700 0.056 0.000 1.660 875 E HN 0.196 nan 8.360 nan 0.000 0.458 876 K N 1.554 121.987 120.400 0.056 0.000 2.484 876 K HA 0.354 4.675 4.320 0.002 0.000 0.226 876 K C -2.420 174.157 176.600 -0.038 0.000 1.031 876 K CA -1.818 54.492 56.287 0.038 0.000 1.026 876 K CB 0.824 33.355 32.500 0.051 0.000 1.412 876 K HN 0.317 nan 8.250 nan 0.000 0.492 877 P HA 0.270 nan 4.420 nan 0.000 0.292 877 P C -1.469 175.668 177.300 -0.273 0.000 1.283 877 P CA -0.619 62.392 63.100 -0.149 0.000 0.835 877 P CB 1.632 33.256 31.700 -0.127 0.000 1.017 878 Q N 2.340 122.022 119.800 -0.197 0.000 2.274 878 Q HA 0.392 4.733 4.340 0.002 0.000 0.268 878 Q C -0.018 175.902 176.000 -0.135 0.000 1.015 878 Q CA -0.444 55.233 55.803 -0.210 0.000 0.775 878 Q CB 1.364 30.011 28.738 -0.152 0.000 1.256 878 Q HN 0.443 nan 8.270 nan 0.000 0.442 879 R N 1.163 121.582 120.500 -0.135 0.000 3.772 879 R HA -0.192 4.149 4.340 0.002 0.000 0.499 879 R C -0.832 175.426 176.300 -0.071 0.000 0.241 879 R CA 1.465 57.513 56.100 -0.087 0.000 1.562 879 R CB -1.906 28.357 30.300 -0.061 0.000 0.987 879 R HN 0.998 nan 8.270 nan 0.000 0.571 880 T N 1.183 115.707 114.554 -0.050 0.000 0.709 880 T HA -0.165 4.187 4.350 0.002 0.000 0.756 880 T C 0.383 175.061 174.700 -0.036 0.000 0.989 880 T CA 0.759 62.835 62.100 -0.039 0.000 3.990 880 T CB -0.545 68.300 68.868 -0.038 0.000 2.255 880 T HN 0.805 nan 8.240 nan 0.000 0.391 881 N N 0.643 119.326 118.700 -0.027 0.000 3.921 881 N HA -0.261 4.480 4.740 0.002 0.000 0.220 881 N C 1.610 177.105 175.510 -0.025 0.000 0.235 881 N CA 2.755 55.791 53.050 -0.023 0.000 2.805 881 N CB -1.856 36.618 38.487 -0.022 0.000 1.351 881 N HN 0.773 nan 8.380 nan 0.000 0.341 882 T N 0.315 114.851 114.554 -0.030 0.000 2.732 882 T HA 0.144 4.496 4.350 0.002 0.000 0.261 882 T C 1.431 176.111 174.700 -0.033 0.000 1.040 882 T CA 1.690 63.773 62.100 -0.028 0.000 1.145 882 T CB -0.078 68.772 68.868 -0.030 0.000 0.866 882 T HN 0.386 nan 8.240 nan 0.000 0.427 883 L N -1.177 120.018 121.223 -0.046 0.000 5.121 883 L HA -0.201 4.140 4.340 0.002 0.000 0.402 883 L C 0.697 177.532 176.870 -0.058 0.000 0.826 883 L CA 1.225 56.033 54.840 -0.052 0.000 2.021 883 L CB -1.256 40.781 42.059 -0.037 0.000 1.272 883 L HN 0.231 nan 8.230 nan 0.000 0.617 884 R N 0.780 121.253 120.500 -0.045 0.000 2.413 884 R HA 0.358 4.699 4.340 0.002 0.000 0.333 884 R C 0.211 176.485 176.300 -0.042 0.000 1.074 884 R CA 0.503 56.577 56.100 -0.043 0.000 0.982 884 R CB 0.127 30.414 30.300 -0.022 0.000 0.981 884 R HN 0.363 nan 8.270 nan 0.000 0.452 885 M N 1.275 120.840 119.600 -0.058 0.000 2.738 885 M HA 0.430 4.911 4.480 0.002 0.000 0.282 885 M C -0.387 175.918 176.300 0.009 0.000 1.149 885 M CA -0.916 54.389 55.300 0.008 0.000 1.010 885 M CB 0.916 33.519 32.600 0.005 0.000 1.721 885 M HN 0.072 nan 8.290 nan 0.000 0.567 886 K N 0.775 121.264 120.400 0.148 0.000 2.123 886 K HA 0.346 4.668 4.320 0.002 0.000 0.259 886 K C 0.509 177.107 176.600 -0.004 0.000 0.960 886 K CA -0.463 55.843 56.287 0.032 0.000 0.872 886 K CB 0.988 33.476 32.500 -0.020 0.000 1.079 886 K HN 0.609 nan 8.250 nan 0.000 0.440 887 H N 0.591 119.685 119.070 0.041 0.000 2.428 887 H HA -0.020 4.537 4.556 0.001 0.000 0.296 887 H C 0.912 176.247 175.328 0.012 0.000 1.062 887 H CA 0.797 56.868 56.048 0.038 0.000 1.350 887 H CB 0.289 30.061 29.762 0.017 0.000 1.403 887 H HN 0.685 nan 8.280 nan 0.000 0.533 888 G N 1.591 110.421 108.800 0.050 0.000 2.491 888 G HA2 0.105 4.067 3.960 0.002 0.000 0.238 888 G HA3 0.105 4.067 3.960 0.002 0.000 0.238 888 G C 0.160 175.006 174.900 -0.091 0.000 1.277 888 G CA -0.116 44.960 45.100 -0.040 0.000 0.851 888 G HN 0.260 nan 8.290 nan 0.000 0.573 889 T N -0.663 113.871 114.554 -0.034 0.000 2.888 889 T HA 0.067 4.418 4.350 0.002 0.000 0.301 889 T C 0.341 175.023 174.700 -0.030 0.000 1.001 889 T CA -0.146 61.972 62.100 0.031 0.000 1.147 889 T CB 0.638 69.530 68.868 0.041 0.000 0.931 889 T HN 0.386 nan 8.240 nan 0.000 0.541 890 Y N 0.723 121.023 120.300 -0.001 0.000 2.470 890 Y HA 0.145 4.696 4.550 0.001 0.000 0.302 890 Y C 1.629 177.530 175.900 0.002 0.000 1.194 890 Y CA -0.514 57.586 58.100 -0.001 0.000 1.271 890 Y CB -0.317 38.142 38.460 -0.002 0.000 1.092 890 Y HN 0.691 nan 8.280 nan 0.000 0.513 891 D N 0.167 120.630 120.400 0.106 0.000 2.149 891 D HA -0.114 4.527 4.640 0.002 0.000 0.201 891 D C 1.482 177.809 176.300 0.045 0.000 0.972 891 D CA 1.085 55.126 54.000 0.069 0.000 0.835 891 D CB 0.091 40.919 40.800 0.047 0.000 0.966 891 D HN 0.332 nan 8.370 nan 0.000 0.476 892 K N 0.120 120.535 120.400 0.025 0.000 2.555 892 K HA 0.064 4.385 4.320 0.002 0.000 0.193 892 K C 0.622 177.234 176.600 0.019 0.000 1.032 892 K CA 0.017 56.311 56.287 0.012 0.000 1.004 892 K CB 0.204 32.700 32.500 -0.007 0.000 0.804 892 K HN 0.106 nan 8.250 nan 0.000 0.496 893 L N 1.187 122.434 121.223 0.040 0.000 2.418 893 L HA 0.064 4.405 4.340 0.002 0.000 0.265 893 L C 0.576 177.471 176.870 0.043 0.000 1.143 893 L CA -0.329 54.541 54.840 0.050 0.000 0.809 893 L CB 0.572 42.687 42.059 0.094 0.000 1.124 893 L HN 0.021 nan 8.230 nan 0.000 0.456 894 D N 0.066 120.486 120.400 0.034 0.000 2.481 894 D HA 0.086 4.728 4.640 0.002 0.000 0.283 894 D C 0.487 176.807 176.300 0.034 0.000 1.192 894 D CA -0.365 53.651 54.000 0.027 0.000 1.100 894 D CB 0.429 41.238 40.800 0.015 0.000 1.166 894 D HN 0.429 nan 8.370 nan 0.000 0.584 895 D N -0.177 120.239 120.400 0.026 0.000 2.123 895 D HA -0.113 4.528 4.640 0.002 0.000 0.200 895 D C 1.192 177.516 176.300 0.039 0.000 0.976 895 D CA 0.920 54.938 54.000 0.029 0.000 0.831 895 D CB -0.159 40.653 40.800 0.021 0.000 0.974 895 D HN 0.361 nan 8.370 nan 0.000 0.469 896 D N -0.573 119.846 120.400 0.033 0.000 2.371 896 D HA 0.037 4.678 4.640 0.002 0.000 0.221 896 D C 1.248 177.590 176.300 0.070 0.000 0.986 896 D CA 0.886 54.910 54.000 0.039 0.000 0.899 896 D CB -0.420 40.382 40.800 0.004 0.000 0.902 896 D HN 0.217 nan 8.370 nan 0.000 0.530 897 G N -0.098 108.748 108.800 0.076 0.000 2.204 897 G HA2 -0.180 3.782 3.960 0.002 0.000 0.244 897 G HA3 -0.180 3.782 3.960 0.002 0.000 0.244 897 G C -0.284 174.662 174.900 0.077 0.000 1.062 897 G CA 0.244 45.417 45.100 0.122 0.000 0.798 897 G HN 0.412 nan 8.290 nan 0.000 0.496 898 L N -1.122 120.114 121.223 0.021 0.000 2.409 898 L HA 0.701 5.042 4.340 0.002 0.000 0.255 898 L C 0.242 177.108 176.870 -0.007 0.000 1.027 898 L CA -1.405 53.423 54.840 -0.019 0.000 0.834 898 L CB 2.080 44.093 42.059 -0.075 0.000 1.426 898 L HN 0.038 nan 8.230 nan 0.000 0.411 899 I N 1.350 121.911 120.570 -0.015 0.000 2.336 899 I HA 0.444 4.615 4.170 0.002 0.000 0.292 899 I C 0.395 176.505 176.117 -0.012 0.000 0.991 899 I CA -0.494 60.800 61.300 -0.009 0.000 1.227 899 I CB 1.822 39.816 38.000 -0.010 0.000 1.366 899 I HN 0.622 nan 8.210 nan 0.000 0.466 900 A N 8.035 130.850 122.820 -0.008 0.000 2.477 900 A HA 0.315 4.637 4.320 0.002 0.000 0.246 900 A C -1.530 176.052 177.584 -0.003 0.000 1.078 900 A CA -1.060 50.972 52.037 -0.007 0.000 0.770 900 A CB -0.129 18.868 19.000 -0.004 0.000 1.011 900 A HN 0.578 nan 8.150 nan 0.000 0.494 901 P HA -0.229 nan 4.420 nan 0.000 0.218 901 P C 1.661 178.963 177.300 0.003 0.000 1.152 901 P CA 2.205 65.308 63.100 0.004 0.000 0.857 901 P CB 0.079 31.784 31.700 0.008 0.000 0.787 902 G N -0.808 107.993 108.800 0.002 0.000 2.432 902 G HA2 -0.132 3.829 3.960 0.002 0.000 0.219 902 G HA3 -0.132 3.829 3.960 0.002 0.000 0.219 902 G C 0.464 175.364 174.900 0.000 0.000 1.135 902 G CA 0.214 45.315 45.100 0.002 0.000 0.767 902 G HN 0.209 nan 8.290 nan 0.000 0.550 903 V N 0.439 120.353 119.914 -0.001 0.000 2.740 903 V HA 0.209 4.331 4.120 0.002 0.000 0.303 903 V C 0.733 176.825 176.094 -0.004 0.000 1.054 903 V CA -0.437 61.862 62.300 -0.002 0.000 1.106 903 V CB 1.207 33.028 31.823 -0.002 0.000 0.957 903 V HN 0.284 nan 8.190 nan 0.000 0.486 904 R N 2.824 123.322 120.500 -0.005 0.000 2.254 904 R HA 0.558 4.899 4.340 0.002 0.000 0.318 904 R C -0.486 175.808 176.300 -0.010 0.000 1.031 904 R CA -0.421 55.675 56.100 -0.007 0.000 0.905 904 R CB 1.250 31.547 30.300 -0.006 0.000 1.050 904 R HN 0.748 nan 8.270 nan 0.000 0.456 905 V N 1.025 120.933 119.914 -0.011 0.000 3.096 905 V HA 0.652 4.773 4.120 0.002 0.000 0.319 905 V C 0.370 176.453 176.094 -0.018 0.000 1.082 905 V CA -0.261 62.030 62.300 -0.016 0.000 1.022 905 V CB 1.675 33.489 31.823 -0.015 0.000 1.103 905 V HN 0.975 nan 8.190 nan 0.000 0.455 906 S N 1.126 116.812 115.700 -0.024 0.000 3.894 906 S HA 0.647 5.118 4.470 0.002 0.000 0.189 906 S C 1.105 175.688 174.600 -0.028 0.000 1.096 906 S CA 0.198 58.383 58.200 -0.024 0.000 1.481 906 S CB 0.295 63.482 63.200 -0.022 0.000 1.321 906 S HN 1.336 nan 8.310 nan 0.000 0.828 907 G N 0.809 109.591 108.800 -0.031 0.000 3.224 907 G HA2 0.285 4.247 3.960 0.002 0.000 0.161 907 G HA3 0.285 4.247 3.960 0.002 0.000 0.161 907 G C -0.206 174.668 174.900 -0.043 0.000 1.872 907 G CA -0.347 44.733 45.100 -0.033 0.000 1.012 907 G HN 0.688 nan 8.290 nan 0.000 0.504 908 E N 1.651 121.825 120.200 -0.044 0.000 2.705 908 E HA 0.104 4.456 4.350 0.002 0.000 0.272 908 E C -0.715 175.830 176.600 -0.091 0.000 1.528 908 E CA -0.222 56.143 56.400 -0.058 0.000 1.750 908 E CB -0.058 29.621 29.700 -0.035 0.000 1.439 908 E HN 0.217 nan 8.360 nan 0.000 0.449 909 D N 0.626 120.966 120.400 -0.100 0.000 2.341 909 D HA 0.065 4.706 4.640 0.002 0.000 0.245 909 D C 0.164 176.351 176.300 -0.187 0.000 1.106 909 D CA -0.339 53.583 54.000 -0.131 0.000 0.905 909 D CB 1.413 42.159 40.800 -0.090 0.000 1.202 909 D HN -0.121 nan 8.370 nan 0.000 0.426 910 V N 2.475 122.230 119.914 -0.265 0.000 2.614 910 V HA 0.142 4.263 4.120 0.002 0.000 0.291 910 V C 1.421 177.411 176.094 -0.173 0.000 1.049 910 V CA -0.106 62.011 62.300 -0.305 0.000 1.038 910 V CB 0.981 32.443 31.823 -0.602 0.000 0.980 910 V HN 0.489 nan 8.190 nan 0.000 0.481 911 I N 3.712 124.197 120.570 -0.141 0.000 3.300 911 I HA 0.218 4.389 4.170 0.002 0.000 0.279 911 I C 0.653 176.754 176.117 -0.025 0.000 1.172 911 I CA 0.616 61.863 61.300 -0.089 0.000 1.431 911 I CB 0.529 38.449 38.000 -0.133 0.000 1.240 911 I HN 0.619 nan 8.210 nan 0.000 0.453 912 I N -2.082 118.495 120.570 0.013 0.000 3.133 912 I HA 0.745 4.916 4.170 0.002 0.000 0.311 912 I C 0.202 176.443 176.117 0.207 0.000 1.072 912 I CA -0.849 60.524 61.300 0.121 0.000 1.015 912 I CB 1.513 39.633 38.000 0.200 0.000 1.233 912 I HN -0.115 nan 8.210 nan 0.000 0.473 913 G N 1.744 110.754 108.800 0.350 0.000 4.160 913 G HA2 0.306 4.267 3.960 0.002 0.000 0.341 913 G HA3 0.306 4.267 3.960 0.002 0.000 0.341 913 G C -0.713 174.283 174.900 0.160 0.000 1.510 913 G CA -0.504 44.765 45.100 0.282 0.000 1.011 913 G HN 0.622 nan 8.290 nan 0.000 0.491 914 K N 1.365 121.788 120.400 0.038 0.000 2.297 914 K HA 0.504 4.826 4.320 0.002 0.000 0.286 914 K C -0.537 175.988 176.600 -0.124 0.000 1.053 914 K CA -0.020 56.144 56.287 -0.205 0.000 0.940 914 K CB 0.666 33.096 32.500 -0.118 0.000 1.019 914 K HN 0.260 nan 8.250 nan 0.000 0.475 915 T N 2.629 117.073 114.554 -0.183 0.000 2.879 915 T HA 0.251 4.602 4.350 0.002 0.000 0.290 915 T C -1.016 173.637 174.700 -0.079 0.000 0.993 915 T CA -0.742 61.300 62.100 -0.097 0.000 0.975 915 T CB 1.703 70.525 68.868 -0.076 0.000 0.981 915 T HN 0.451 nan 8.240 nan 0.000 0.439 916 T N 5.513 120.049 114.554 -0.030 0.000 2.772 916 T HA 0.532 4.883 4.350 0.002 0.000 0.288 916 T C -2.670 172.041 174.700 0.018 0.000 0.994 916 T CA -1.493 60.616 62.100 0.015 0.000 0.951 916 T CB 1.213 70.106 68.868 0.042 0.000 0.933 916 T HN 0.286 nan 8.240 nan 0.000 0.447 917 P HA 0.666 nan 4.420 nan 0.000 0.297 917 P C -0.853 176.459 177.300 0.021 0.000 1.342 917 P CA -0.500 62.613 63.100 0.022 0.000 0.801 917 P CB 0.697 32.413 31.700 0.026 0.000 0.920 918 I N 1.968 122.537 120.570 -0.001 0.000 2.918 918 I HA 0.488 4.659 4.170 0.002 0.000 0.301 918 I C -0.763 175.343 176.117 -0.019 0.000 1.312 918 I CA -0.256 61.032 61.300 -0.019 0.000 1.007 918 I CB 2.236 40.211 38.000 -0.042 0.000 1.281 918 I HN 0.449 nan 8.210 nan 0.000 0.440 934 K N 2.498 122.878 120.400 -0.033 0.000 2.363 934 K HA 0.267 4.588 4.320 0.002 0.000 0.240 934 K C -0.004 176.569 176.600 -0.044 0.000 1.169 934 K CA -0.304 55.957 56.287 -0.045 0.000 1.131 934 K CB 0.477 32.940 32.500 -0.062 0.000 1.771 934 K HN 0.310 nan 8.250 nan 0.000 0.380 935 R N 1.309 121.791 120.500 -0.030 0.000 2.390 935 R HA 0.149 4.491 4.340 0.002 0.000 0.291 935 R C -0.249 176.040 176.300 -0.019 0.000 1.070 935 R CA -0.312 55.776 56.100 -0.021 0.000 1.014 935 R CB 0.855 31.148 30.300 -0.010 0.000 1.007 935 R HN 0.349 nan 8.270 nan 0.000 0.466 936 D N 1.495 121.892 120.400 -0.005 0.000 2.408 936 D HA 0.300 4.941 4.640 0.002 0.000 0.243 936 D C -0.719 175.602 176.300 0.035 0.000 1.075 936 D CA -0.323 53.689 54.000 0.020 0.000 0.832 936 D CB 1.808 42.635 40.800 0.045 0.000 1.162 936 D HN 0.633 nan 8.370 nan 0.000 0.515 937 A N 2.795 125.634 122.820 0.032 0.000 2.616 937 A HA 0.246 4.567 4.320 0.002 0.000 0.294 937 A C 0.244 177.856 177.584 0.046 0.000 1.091 937 A CA -0.391 51.667 52.037 0.036 0.000 0.971 937 A CB 0.212 19.228 19.000 0.027 0.000 1.222 937 A HN 0.357 nan 8.150 nan 0.000 0.521 938 S N 1.720 117.463 115.700 0.072 0.000 2.516 938 S HA 0.228 4.700 4.470 0.002 0.000 0.282 938 S C 0.454 175.071 174.600 0.028 0.000 1.286 938 S CA 0.248 58.499 58.200 0.085 0.000 1.066 938 S CB 0.410 63.709 63.200 0.165 0.000 0.884 938 S HN 0.488 nan 8.310 nan 0.000 0.491 939 T N 6.727 121.287 114.554 0.010 0.000 2.799 939 T HA 0.301 4.652 4.350 0.002 0.000 0.296 939 T C -2.208 172.395 174.700 -0.162 0.000 0.947 939 T CA -0.915 61.146 62.100 -0.065 0.000 1.141 939 T CB 0.267 69.096 68.868 -0.066 0.000 0.891 939 T HN 0.370 nan 8.240 nan 0.000 0.533 940 P HA 0.366 nan 4.420 nan 0.000 0.282 940 P C -0.232 176.886 177.300 -0.304 0.000 1.259 940 P CA -1.072 61.901 63.100 -0.213 0.000 0.826 940 P CB 0.575 32.189 31.700 -0.144 0.000 1.064 941 L N 1.898 122.953 121.223 -0.280 0.000 2.483 941 L HA 0.119 4.460 4.340 0.002 0.000 0.276 941 L C 0.721 177.524 176.870 -0.112 0.000 1.213 941 L CA 0.143 54.821 54.840 -0.270 0.000 0.843 941 L CB -0.153 41.835 42.059 -0.119 0.000 1.107 941 L HN 0.261 nan 8.230 nan 0.000 0.487 942 R N 2.334 122.854 120.500 0.033 0.000 2.494 942 R HA -0.081 4.260 4.340 0.002 0.000 0.291 942 R C 1.568 177.882 176.300 0.023 0.000 0.953 942 R CA 0.790 56.944 56.100 0.089 0.000 1.098 942 R CB 0.137 30.548 30.300 0.185 0.000 0.911 942 R HN 0.999 nan 8.270 nan 0.000 0.407 943 S N 1.753 117.455 115.700 0.003 0.000 2.380 943 S HA -0.224 4.247 4.470 0.002 0.000 0.229 943 S C 1.695 176.281 174.600 -0.022 0.000 1.043 943 S CA 2.047 60.238 58.200 -0.015 0.000 1.038 943 S CB -0.317 62.873 63.200 -0.016 0.000 0.872 943 S HN 0.766 nan 8.310 nan 0.000 0.456 944 T N -1.942 112.596 114.554 -0.026 0.000 3.057 944 T HA 0.288 4.639 4.350 0.002 0.000 0.254 944 T C 0.554 175.220 174.700 -0.057 0.000 1.094 944 T CA 0.102 62.175 62.100 -0.044 0.000 1.088 944 T CB -0.215 68.618 68.868 -0.059 0.000 0.934 944 T HN 0.400 nan 8.240 nan 0.000 0.497 945 E N 2.723 122.900 120.200 -0.039 0.000 2.349 945 E HA 0.465 4.816 4.350 0.002 0.000 0.262 945 E C 0.120 176.700 176.600 -0.033 0.000 1.088 945 E CA -0.441 55.929 56.400 -0.051 0.000 0.899 945 E CB 0.555 30.268 29.700 0.021 0.000 1.044 945 E HN 0.608 nan 8.360 nan 0.000 0.420 946 N N 0.544 119.218 118.700 -0.043 0.000 3.243 946 N HA 0.639 5.381 4.740 0.002 0.000 0.280 946 N C -0.091 175.406 175.510 -0.022 0.000 1.545 946 N CA -0.225 52.808 53.050 -0.028 0.000 0.854 946 N CB 1.047 39.511 38.487 -0.039 0.000 1.612 946 N HN 0.661 nan 8.380 nan 0.000 0.577 947 G N -0.496 108.293 108.800 -0.018 0.000 2.225 947 G HA2 0.173 4.134 3.960 0.002 0.000 0.203 947 G HA3 0.173 4.134 3.960 0.002 0.000 0.203 947 G C -1.880 173.011 174.900 -0.015 0.000 1.335 947 G CA -0.208 44.881 45.100 -0.019 0.000 1.183 947 G HN 0.690 nan 8.290 nan 0.000 0.488 948 I N 0.425 120.981 120.570 -0.023 0.000 2.689 948 I HA 0.611 4.782 4.170 0.002 0.000 0.299 948 I C 0.675 176.777 176.117 -0.025 0.000 1.059 948 I CA -1.121 60.167 61.300 -0.021 0.000 1.055 948 I CB 1.944 39.931 38.000 -0.023 0.000 1.243 948 I HN 0.476 nan 8.210 nan 0.000 0.425 949 V N 2.916 122.825 119.914 -0.008 0.000 3.051 949 V HA 0.116 4.237 4.120 0.002 0.000 0.306 949 V C 0.387 176.477 176.094 -0.006 0.000 1.083 949 V CA 0.269 62.571 62.300 0.002 0.000 1.104 949 V CB 1.062 32.891 31.823 0.011 0.000 1.027 949 V HN 0.915 nan 8.190 nan 0.000 0.483 950 D N 0.120 120.527 120.400 0.011 0.000 2.680 950 D HA 0.130 4.772 4.640 0.002 0.000 0.295 950 D C 0.306 176.642 176.300 0.060 0.000 1.097 950 D CA 0.338 54.359 54.000 0.036 0.000 0.952 950 D CB 1.071 41.903 40.800 0.054 0.000 1.491 950 D HN 0.630 nan 8.370 nan 0.000 0.486 951 Q N 0.683 120.521 119.800 0.063 0.000 2.284 951 Q HA 0.492 4.834 4.340 0.002 0.000 0.269 951 Q C -2.013 174.000 176.000 0.022 0.000 1.026 951 Q CA -0.527 55.305 55.803 0.048 0.000 0.831 951 Q CB 2.717 31.497 28.738 0.072 0.000 1.322 951 Q HN -0.148 nan 8.270 nan 0.000 0.419 952 V N 5.064 124.975 119.914 -0.005 0.000 2.483 952 V HA 0.535 4.657 4.120 0.002 0.000 0.297 952 V C -0.703 175.356 176.094 -0.058 0.000 1.027 952 V CA -0.711 61.566 62.300 -0.039 0.000 0.855 952 V CB 1.444 33.238 31.823 -0.048 0.000 0.995 952 V HN 0.677 nan 8.190 nan 0.000 0.424 953 L N 3.597 124.767 121.223 -0.089 0.000 2.385 953 L HA 0.932 5.273 4.340 0.002 0.000 0.273 953 L C -0.870 175.909 176.870 -0.152 0.000 0.990 953 L CA -0.813 53.972 54.840 -0.091 0.000 0.821 953 L CB 2.077 44.105 42.059 -0.052 0.000 1.279 953 L HN 0.283 nan 8.230 nan 0.000 0.412 954 V N 2.146 121.988 119.914 -0.120 0.000 2.347 954 V HA 0.611 4.732 4.120 0.002 0.000 0.280 954 V C 0.085 176.153 176.094 -0.043 0.000 1.021 954 V CA 0.059 62.280 62.300 -0.133 0.000 0.847 954 V CB 1.297 33.042 31.823 -0.131 0.000 0.990 954 V HN 0.970 nan 8.190 nan 0.000 0.444 955 T N 2.537 117.101 114.554 0.015 0.000 2.907 955 T HA 0.422 4.773 4.350 0.002 0.000 0.292 955 T C 0.004 174.805 174.700 0.169 0.000 1.043 955 T CA -0.554 61.612 62.100 0.109 0.000 1.003 955 T CB 1.836 70.812 68.868 0.180 0.000 1.084 955 T HN 0.604 nan 8.240 nan 0.000 0.483 956 T N 3.113 117.732 114.554 0.108 0.000 2.851 956 T HA 0.266 4.618 4.350 0.002 0.000 0.298 956 T C 0.454 175.202 174.700 0.080 0.000 0.977 956 T CA -0.568 61.584 62.100 0.087 0.000 1.126 956 T CB 0.348 69.238 68.868 0.038 0.000 0.916 956 T HN 0.494 nan 8.240 nan 0.000 0.529 957 N N 1.496 120.234 118.700 0.064 0.000 2.445 957 N HA 0.053 4.794 4.740 0.002 0.000 0.264 957 N C 1.477 176.983 175.510 -0.007 0.000 1.227 957 N CA -0.656 52.388 53.050 -0.011 0.000 0.963 957 N CB 0.836 39.306 38.487 -0.029 0.000 1.188 957 N HN 0.723 nan 8.380 nan 0.000 0.491 958 Q N -0.131 119.655 119.800 -0.023 0.000 2.439 958 Q HA -0.090 4.251 4.340 0.002 0.000 0.211 958 Q C -0.374 175.625 176.000 -0.001 0.000 0.978 958 Q CA 1.247 57.046 55.803 -0.007 0.000 0.897 958 Q CB 0.039 28.775 28.738 -0.004 0.000 0.956 958 Q HN 0.532 nan 8.270 nan 0.000 0.483 959 D N 0.533 120.930 120.400 -0.005 0.000 2.339 959 D HA 0.106 4.747 4.640 0.002 0.000 0.217 959 D C 0.665 176.969 176.300 0.007 0.000 1.050 959 D CA 0.879 54.879 54.000 -0.000 0.000 0.856 959 D CB 0.669 41.464 40.800 -0.008 0.000 0.922 959 D HN 0.495 nan 8.370 nan 0.000 0.518 960 G N 1.365 110.173 108.800 0.014 0.000 2.204 960 G HA2 -0.246 3.716 3.960 0.002 0.000 0.244 960 G HA3 -0.246 3.716 3.960 0.002 0.000 0.244 960 G C -0.050 174.872 174.900 0.037 0.000 1.062 960 G CA -0.194 44.920 45.100 0.024 0.000 0.798 960 G HN 0.270 nan 8.290 nan 0.000 0.496 961 L N -0.565 120.688 121.223 0.050 0.000 2.325 961 L HA 0.504 4.845 4.340 0.002 0.000 0.278 961 L C 0.787 177.743 176.870 0.143 0.000 1.023 961 L CA -1.072 53.815 54.840 0.078 0.000 0.811 961 L CB 1.468 43.564 42.059 0.061 0.000 1.249 961 L HN 0.008 nan 8.230 nan 0.000 0.431 962 K N 2.802 123.308 120.400 0.176 0.000 2.336 962 K HA 0.194 4.516 4.320 0.002 0.000 0.290 962 K C -0.966 175.827 176.600 0.321 0.000 1.067 962 K CA 0.132 56.551 56.287 0.219 0.000 0.962 962 K CB 0.205 32.859 32.500 0.257 0.000 1.008 962 K HN 0.257 nan 8.250 nan 0.000 0.467 963 F N 4.141 124.134 119.950 0.071 0.000 2.482 963 F HA 0.403 4.931 4.527 0.003 0.000 0.331 963 F C -0.622 175.163 175.800 -0.026 0.000 1.115 963 F CA -1.065 56.973 58.000 0.063 0.000 0.955 963 F CB 1.062 40.095 39.000 0.055 0.000 1.136 963 F HN 0.194 nan 8.300 nan 0.000 0.452 964 V N 2.723 122.164 119.914 -0.789 0.000 2.769 964 V HA 0.696 4.818 4.120 0.002 0.000 0.312 964 V C -1.211 174.406 176.094 -0.795 0.000 1.061 964 V CA -1.000 60.867 62.300 -0.721 0.000 0.931 964 V CB 1.883 33.354 31.823 -0.587 0.000 1.010 964 V HN 0.818 nan 8.190 nan 0.000 0.433 965 K N 2.442 122.549 120.400 -0.489 0.000 2.541 965 K HA 0.751 5.072 4.320 0.002 0.000 0.250 965 K C -1.767 174.763 176.600 -0.117 0.000 0.950 965 K CA -0.568 55.558 56.287 -0.269 0.000 0.805 965 K CB 2.542 34.915 32.500 -0.212 0.000 1.166 965 K HN 0.662 nan 8.250 nan 0.000 0.430 966 V N 3.044 122.946 119.914 -0.019 0.000 2.495 966 V HA 0.464 4.585 4.120 0.002 0.000 0.298 966 V C -0.359 175.788 176.094 0.088 0.000 1.031 966 V CA -0.891 61.432 62.300 0.039 0.000 0.871 966 V CB 1.720 33.584 31.823 0.067 0.000 0.988 966 V HN 0.634 nan 8.190 nan 0.000 0.432 967 R N 2.938 123.482 120.500 0.074 0.000 2.445 967 R HA 0.762 5.103 4.340 0.002 0.000 0.308 967 R C -1.523 174.819 176.300 0.071 0.000 0.961 967 R CA -0.385 55.767 56.100 0.087 0.000 0.862 967 R CB 1.819 32.202 30.300 0.139 0.000 1.144 967 R HN 0.575 nan 8.270 nan 0.000 0.447 968 V N 4.920 124.865 119.914 0.052 0.000 2.459 968 V HA 0.494 4.615 4.120 0.002 0.000 0.295 968 V C -0.102 175.917 176.094 -0.123 0.000 1.029 968 V CA -0.802 61.510 62.300 0.020 0.000 0.874 968 V CB 1.527 33.429 31.823 0.131 0.000 0.985 968 V HN 0.662 nan 8.190 nan 0.000 0.438 969 R N 2.800 123.170 120.500 -0.217 0.000 2.562 969 R HA 0.743 5.084 4.340 0.002 0.000 0.298 969 R C -1.251 174.938 176.300 -0.186 0.000 0.961 969 R CA -0.171 55.664 56.100 -0.442 0.000 0.881 969 R CB 2.033 31.965 30.300 -0.614 0.000 1.159 969 R HN 0.820 nan 8.270 nan 0.000 0.450 970 T N 1.962 116.448 114.554 -0.113 0.000 2.952 970 T HA 0.271 4.622 4.350 0.002 0.000 0.305 970 T C -0.789 173.937 174.700 0.044 0.000 1.064 970 T CA -0.548 61.545 62.100 -0.013 0.000 1.008 970 T CB 1.923 70.791 68.868 -0.002 0.000 1.078 970 T HN 0.422 nan 8.240 nan 0.000 0.459 971 T N 3.403 117.986 114.554 0.048 0.000 2.771 971 T HA 0.379 4.731 4.350 0.002 0.000 0.291 971 T C -0.067 174.645 174.700 0.020 0.000 0.954 971 T CA -0.614 61.542 62.100 0.093 0.000 1.045 971 T CB 0.458 69.391 68.868 0.109 0.000 0.917 971 T HN 0.354 nan 8.240 nan 0.000 0.484 972 K N 3.769 124.186 120.400 0.028 0.000 2.473 972 K HA 0.385 4.707 4.320 0.002 0.000 0.246 972 K C -0.365 176.224 176.600 -0.018 0.000 1.011 972 K CA -0.411 55.869 56.287 -0.012 0.000 0.984 972 K CB 0.990 33.482 32.500 -0.013 0.000 1.250 972 K HN 0.554 nan 8.250 nan 0.000 0.454 973 I N 5.017 125.561 120.570 -0.043 0.000 2.556 973 I HA 0.038 4.210 4.170 0.002 0.000 0.284 973 I C -1.678 174.450 176.117 0.019 0.000 1.114 973 I CA -1.850 59.428 61.300 -0.037 0.000 1.418 973 I CB 0.327 38.294 38.000 -0.055 0.000 1.394 973 I HN 0.280 nan 8.210 nan 0.000 0.552 974 P HA -0.036 nan 4.420 nan 0.000 0.258 974 P C -0.505 176.833 177.300 0.064 0.000 1.187 974 P CA 0.318 63.504 63.100 0.143 0.000 0.767 974 P CB 0.729 32.575 31.700 0.243 0.000 0.770 975 Q N 3.014 122.846 119.800 0.054 0.000 2.997 975 Q HA 0.389 4.730 4.340 0.002 0.000 0.214 975 Q C 0.175 176.175 176.000 -0.000 0.000 1.153 975 Q CA -0.372 55.438 55.803 0.012 0.000 0.478 975 Q CB 0.346 29.086 28.738 0.003 0.000 5.352 975 Q HN 0.398 nan 8.270 nan 0.000 0.337 976 I N 0.377 120.942 120.570 -0.009 0.000 2.750 976 I HA 0.380 4.552 4.170 0.002 0.000 0.279 976 I C -0.005 176.116 176.117 0.005 0.000 1.206 976 I CA 0.029 61.316 61.300 -0.021 0.000 1.101 976 I CB 1.203 39.170 38.000 -0.055 0.000 1.431 976 I HN 0.807 nan 8.210 nan 0.000 0.551 977 G N 1.865 110.685 108.800 0.034 0.000 4.248 977 G HA2 -0.090 3.872 3.960 0.002 0.000 0.218 977 G HA3 -0.090 3.872 3.960 0.002 0.000 0.218 977 G C -0.272 174.659 174.900 0.053 0.000 0.790 977 G CA -0.584 44.539 45.100 0.039 0.000 0.844 977 G HN 0.352 nan 8.290 nan 0.000 0.588 978 D N 1.612 122.060 120.400 0.080 0.000 2.455 978 D HA 0.302 4.944 4.640 0.002 0.000 0.241 978 D C 0.444 176.783 176.300 0.066 0.000 1.138 978 D CA 0.362 54.389 54.000 0.045 0.000 0.877 978 D CB 1.335 42.170 40.800 0.059 0.000 1.187 978 D HN 0.238 nan 8.370 nan 0.000 0.451 979 K N 1.489 121.838 120.400 -0.084 0.000 2.270 979 K HA 0.310 4.631 4.320 0.002 0.000 0.276 979 K C -1.014 175.416 176.600 -0.283 0.000 1.023 979 K CA -0.152 56.096 56.287 -0.066 0.000 0.955 979 K CB 0.410 32.873 32.500 -0.061 0.000 0.975 979 K HN 0.246 nan 8.250 nan 0.000 0.471 980 F N 1.287 121.205 119.950 -0.054 0.000 2.581 980 F HA 0.525 5.053 4.527 0.001 0.000 0.311 980 F C -0.320 175.523 175.800 0.071 0.000 1.113 980 F CA -0.576 57.384 58.000 -0.066 0.000 0.935 980 F CB 2.331 41.211 39.000 -0.199 0.000 1.232 980 F HN 0.558 nan 8.300 nan 0.000 0.445 981 A N 1.359 124.349 122.820 0.283 0.000 2.539 981 A HA 0.757 5.079 4.320 0.002 0.000 0.296 981 A C -0.321 177.334 177.584 0.119 0.000 1.073 981 A CA -0.090 52.083 52.037 0.227 0.000 0.700 981 A CB 1.444 20.505 19.000 0.102 0.000 1.296 981 A HN 0.794 nan 8.150 nan 0.000 0.405 982 S N 1.155 116.762 115.700 -0.154 0.000 2.646 982 S HA 0.390 4.861 4.470 0.002 0.000 0.192 982 S C 0.675 175.173 174.600 -0.172 0.000 1.218 982 S CA 0.161 58.048 58.200 -0.521 0.000 1.545 982 S CB 0.041 62.850 63.200 -0.652 0.000 0.737 982 S HN 0.645 nan 8.310 nan 0.000 0.467 983 R N -0.155 120.250 120.500 -0.158 0.000 2.590 983 R HA 0.357 4.698 4.340 0.002 0.000 0.410 983 R C -0.154 175.837 176.300 -0.514 0.000 1.010 983 R CA -0.135 55.791 56.100 -0.289 0.000 1.155 983 R CB 0.401 30.499 30.300 -0.337 0.000 1.455 983 R HN 0.622 nan 8.270 nan 0.000 0.567 984 H N -1.037 118.057 119.070 0.041 0.000 3.007 984 H HA 0.216 4.773 4.556 0.002 0.000 0.251 984 H C 0.725 176.081 175.328 0.046 0.000 1.188 984 H CA 0.351 56.438 56.048 0.065 0.000 1.017 984 H CB 1.659 31.489 29.762 0.114 0.000 1.805 984 H HN 0.365 nan 8.280 nan 0.000 0.659 985 G N 2.157 111.024 108.800 0.112 0.000 2.176 985 G HA2 -0.319 3.642 3.960 0.002 0.000 0.252 985 G HA3 -0.319 3.642 3.960 0.002 0.000 0.252 985 G C 0.415 175.335 174.900 0.033 0.000 1.024 985 G CA 0.267 45.410 45.100 0.071 0.000 0.755 985 G HN 0.359 nan 8.290 nan 0.000 0.507 986 Q N 0.682 120.534 119.800 0.086 0.000 3.122 986 Q HA 0.356 4.697 4.340 0.002 0.000 0.360 986 Q C 1.188 177.261 176.000 0.123 0.000 1.300 986 Q CA -0.089 55.762 55.803 0.079 0.000 0.982 986 Q CB -0.171 28.625 28.738 0.097 0.000 1.534 986 Q HN 0.764 nan 8.270 nan 0.000 0.474 987 K N -1.283 119.169 120.400 0.087 0.000 2.219 987 K HA 0.696 5.017 4.320 0.002 0.000 0.258 987 K C 0.178 176.838 176.600 0.100 0.000 1.008 987 K CA -0.236 56.113 56.287 0.103 0.000 0.928 987 K CB 0.850 33.392 32.500 0.072 0.000 0.983 987 K HN 0.221 nan 8.250 nan 0.000 0.484 988 G N 0.230 109.098 108.800 0.112 0.000 2.355 988 G HA2 0.298 4.259 3.960 0.002 0.000 0.296 988 G HA3 0.298 4.259 3.960 0.002 0.000 0.296 988 G C -1.213 173.755 174.900 0.113 0.000 1.507 988 G CA -0.728 44.429 45.100 0.096 0.000 0.823 988 G HN 0.778 nan 8.290 nan 0.000 0.569 989 T N -1.446 113.160 114.554 0.087 0.000 2.944 989 T HA 0.710 5.061 4.350 0.002 0.000 0.284 989 T C 0.437 175.181 174.700 0.074 0.000 1.010 989 T CA -0.730 61.428 62.100 0.096 0.000 1.025 989 T CB 1.455 70.362 68.868 0.065 0.000 1.079 989 T HN 0.567 nan 8.240 nan 0.000 0.516 990 I N 2.123 122.736 120.570 0.071 0.000 2.517 990 I HA 0.278 4.449 4.170 0.002 0.000 0.285 990 I C 1.645 177.761 176.117 -0.000 0.000 1.106 990 I CA -0.119 61.178 61.300 -0.005 0.000 1.402 990 I CB 0.477 38.459 38.000 -0.030 0.000 1.399 990 I HN 0.995 nan 8.210 nan 0.000 0.535 991 G N 6.711 115.509 108.800 -0.004 0.000 2.456 991 G HA2 0.102 4.063 3.960 0.002 0.000 0.213 991 G HA3 0.102 4.063 3.960 0.002 0.000 0.213 991 G C 0.135 174.998 174.900 -0.061 0.000 1.215 991 G CA 0.654 45.788 45.100 0.056 0.000 0.805 991 G HN 0.486 nan 8.290 nan 0.000 0.537 992 I N 0.051 120.481 120.570 -0.234 0.000 2.787 992 I HA 0.403 4.574 4.170 0.002 0.000 0.294 992 I C -0.508 175.319 176.117 -0.483 0.000 1.365 992 I CA -0.699 60.319 61.300 -0.470 0.000 1.029 992 I CB 2.042 39.483 38.000 -0.932 0.000 1.313 992 I HN 0.170 nan 8.210 nan 0.000 0.431 993 T N 3.560 117.881 114.554 -0.388 0.000 2.780 993 T HA 0.540 4.891 4.350 0.002 0.000 0.294 993 T C -0.676 173.852 174.700 -0.287 0.000 0.949 993 T CA -0.036 61.905 62.100 -0.265 0.000 1.074 993 T CB 0.106 68.889 68.868 -0.142 0.000 0.910 993 T HN 0.426 nan 8.240 nan 0.000 0.501 994 Y N 1.157 121.428 120.300 -0.049 0.000 2.429 994 Y HA 0.511 5.062 4.550 0.002 0.000 0.342 994 Y C 1.115 177.006 175.900 -0.016 0.000 1.004 994 Y CA -1.654 56.435 58.100 -0.018 0.000 1.075 994 Y CB 2.065 40.529 38.460 0.007 0.000 1.214 994 Y HN 0.503 nan 8.280 nan 0.000 0.455 995 R N 1.015 121.634 120.500 0.197 0.000 2.637 995 R HA 0.242 4.583 4.340 0.002 0.000 0.269 995 R C 1.139 177.475 176.300 0.059 0.000 1.089 995 R CA -0.379 55.775 56.100 0.090 0.000 1.177 995 R CB 0.616 30.955 30.300 0.064 0.000 1.091 995 R HN 0.762 nan 8.270 nan 0.000 0.540 996 R N 1.017 121.527 120.500 0.015 0.000 2.139 996 R HA -0.217 4.124 4.340 0.002 0.000 0.243 996 R C 1.581 177.853 176.300 -0.047 0.000 1.145 996 R CA 1.899 57.988 56.100 -0.018 0.000 0.976 996 R CB -0.064 30.209 30.300 -0.045 0.000 0.866 996 R HN 0.585 nan 8.270 nan 0.000 0.449 997 E N 0.321 120.498 120.200 -0.039 0.000 2.072 997 E HA -0.143 4.208 4.350 0.002 0.000 0.191 997 E C 1.330 177.935 176.600 0.008 0.000 0.985 997 E CA 1.208 57.580 56.400 -0.046 0.000 0.801 997 E CB -0.079 29.612 29.700 -0.016 0.000 0.750 997 E HN 0.289 nan 8.360 nan 0.000 0.452 998 D N -0.203 120.208 120.400 0.020 0.000 2.317 998 D HA 0.001 4.642 4.640 0.002 0.000 0.211 998 D C 0.401 176.594 176.300 -0.179 0.000 0.966 998 D CA 0.293 54.266 54.000 -0.046 0.000 0.876 998 D CB -0.001 40.779 40.800 -0.033 0.000 0.927 998 D HN 0.160 nan 8.370 nan 0.000 0.519 999 M N 1.866 121.418 119.600 -0.081 0.000 2.242 999 M HA 0.196 4.678 4.480 0.002 0.000 0.344 999 M C -2.341 173.929 176.300 -0.051 0.000 1.140 999 M CA -1.809 53.419 55.300 -0.121 0.000 1.160 999 M CB 1.141 33.725 32.600 -0.027 0.000 1.491 999 M HN -0.269 nan 8.290 nan 0.000 0.459 1000 P HA 0.228 nan 4.420 nan 0.000 0.272 1000 P C -1.517 175.843 177.300 0.100 0.000 1.223 1000 P CA 0.047 63.091 63.100 -0.093 0.000 0.784 1000 P CB 0.095 31.602 31.700 -0.321 0.000 0.923 1001 F N -1.951 117.970 119.950 -0.048 0.000 2.608 1001 F HA 0.592 5.121 4.527 0.002 0.000 0.309 1001 F C 0.006 175.803 175.800 -0.005 0.000 1.103 1001 F CA -1.026 56.939 58.000 -0.058 0.000 0.954 1001 F CB 0.954 39.927 39.000 -0.045 0.000 1.267 1001 F HN 0.372 nan 8.300 nan 0.000 0.444 1002 T N -0.432 114.101 114.554 -0.035 0.000 2.814 1002 T HA 0.597 4.948 4.350 0.002 0.000 0.284 1002 T C 1.127 175.901 174.700 0.123 0.000 0.998 1002 T CA -0.079 61.998 62.100 -0.039 0.000 0.935 1002 T CB 1.312 70.048 68.868 -0.220 0.000 1.167 1002 T HN 1.130 nan 8.240 nan 0.000 0.545 1003 A N -0.119 122.785 122.820 0.140 0.000 2.066 1003 A HA 0.046 4.367 4.320 0.002 0.000 0.218 1003 A C 2.167 179.795 177.584 0.073 0.000 1.157 1003 A CA 0.702 52.797 52.037 0.098 0.000 0.670 1003 A CB -0.695 18.387 19.000 0.136 0.000 0.804 1003 A HN 0.858 nan 8.150 nan 0.000 0.453 1004 E N -1.081 119.173 120.200 0.091 0.000 2.482 1004 E HA 0.079 4.430 4.350 0.002 0.000 0.196 1004 E C 1.417 178.061 176.600 0.073 0.000 1.047 1004 E CA 0.746 57.202 56.400 0.093 0.000 0.869 1004 E CB -0.133 29.661 29.700 0.157 0.000 0.836 1004 E HN 0.782 nan 8.360 nan 0.000 0.520 1005 G N 1.902 110.749 108.800 0.079 0.000 2.217 1005 G HA2 -0.292 3.669 3.960 0.002 0.000 0.246 1005 G HA3 -0.292 3.669 3.960 0.002 0.000 0.246 1005 G C 0.582 175.520 174.900 0.063 0.000 0.990 1005 G CA 0.276 45.409 45.100 0.055 0.000 0.627 1005 G HN 0.370 nan 8.290 nan 0.000 0.522 1006 I N -0.562 120.058 120.570 0.083 0.000 2.692 1006 I HA 0.664 4.835 4.170 0.002 0.000 0.284 1006 I C 0.413 176.612 176.117 0.138 0.000 1.159 1006 I CA -0.809 60.558 61.300 0.112 0.000 1.423 1006 I CB 1.478 39.574 38.000 0.160 0.000 1.380 1006 I HN 0.203 nan 8.210 nan 0.000 0.580 1007 V N 6.944 126.964 119.914 0.177 0.000 2.623 1007 V HA 0.555 4.676 4.120 0.002 0.000 0.304 1007 V C -2.339 173.881 176.094 0.210 0.000 1.054 1007 V CA -1.708 60.703 62.300 0.187 0.000 0.882 1007 V CB 2.209 34.087 31.823 0.093 0.000 1.002 1007 V HN 0.822 nan 8.190 nan 0.000 0.424 1008 P HA 0.275 nan 4.420 nan 0.000 0.269 1008 P C -0.482 176.818 177.300 0.000 0.000 1.215 1008 P CA 0.127 63.286 63.100 0.099 0.000 0.780 1008 P CB 0.973 32.749 31.700 0.127 0.000 0.898 1009 D N 0.269 120.629 120.400 -0.065 0.000 2.338 1009 D HA 0.101 4.742 4.640 0.002 0.000 0.208 1009 D C 0.271 176.507 176.300 -0.107 0.000 0.997 1009 D CA 0.897 54.856 54.000 -0.068 0.000 0.880 1009 D CB 0.338 41.098 40.800 -0.067 0.000 0.980 1009 D HN 0.137 nan 8.370 nan 0.000 0.509 1010 L N 0.936 122.072 121.223 -0.145 0.000 2.464 1010 L HA 0.414 4.755 4.340 0.002 0.000 0.266 1010 L C -1.622 175.160 176.870 -0.146 0.000 0.965 1010 L CA -0.493 54.226 54.840 -0.202 0.000 0.833 1010 L CB 2.328 44.174 42.059 -0.354 0.000 1.296 1010 L HN -0.218 nan 8.230 nan 0.000 0.405 1011 I N 6.281 126.790 120.570 -0.102 0.000 2.382 1011 I HA 0.464 4.636 4.170 0.002 0.000 0.286 1011 I C -0.162 175.945 176.117 -0.017 0.000 1.002 1011 I CA -0.588 60.690 61.300 -0.037 0.000 1.135 1011 I CB 1.346 39.345 38.000 -0.001 0.000 1.288 1011 I HN 0.562 nan 8.210 nan 0.000 0.448 1012 I N 2.855 123.427 120.570 0.003 0.000 2.707 1012 I HA 0.547 4.718 4.170 0.002 0.000 0.309 1012 I C -0.205 175.925 176.117 0.022 0.000 1.001 1012 I CA -0.770 60.542 61.300 0.020 0.000 1.129 1012 I CB 1.531 39.554 38.000 0.037 0.000 1.308 1012 I HN 0.416 nan 8.210 nan 0.000 0.466 1013 N N 3.534 122.243 118.700 0.014 0.000 2.472 1013 N HA 0.304 5.045 4.740 0.002 0.000 0.277 1013 N C -1.912 173.556 175.510 -0.071 0.000 1.081 1013 N CA -1.716 51.324 53.050 -0.016 0.000 0.973 1013 N CB 1.781 40.285 38.487 0.029 0.000 1.105 1013 N HN 0.432 nan 8.380 nan 0.000 0.470 1014 P HA -0.126 nan 4.420 nan 0.000 0.220 1014 P C 0.577 177.787 177.300 -0.151 0.000 1.144 1014 P CA 1.247 64.245 63.100 -0.169 0.000 0.800 1014 P CB 0.136 31.700 31.700 -0.226 0.000 0.772 1015 H N -1.171 117.896 119.070 -0.003 0.000 2.529 1015 H HA 0.217 4.774 4.556 0.002 0.000 0.277 1015 H C 1.257 176.568 175.328 -0.029 0.000 0.999 1015 H CA 0.765 56.805 56.048 -0.013 0.000 1.256 1015 H CB -0.403 29.355 29.762 -0.006 0.000 1.402 1015 H HN 0.074 nan 8.280 nan 0.000 0.566 1016 A N 0.931 123.781 122.820 0.050 0.000 2.734 1016 A HA 0.226 4.547 4.320 0.002 0.000 0.279 1016 A C 1.107 178.656 177.584 -0.059 0.000 1.386 1016 A CA 0.037 52.070 52.037 -0.006 0.000 0.987 1016 A CB -0.484 18.504 19.000 -0.020 0.000 1.041 1016 A HN 0.145 nan 8.150 nan 0.000 0.569 1017 I N -1.206 119.339 120.570 -0.042 0.000 3.990 1017 I HA 0.099 4.270 4.170 0.002 0.000 0.275 1017 I C -1.218 174.874 176.117 -0.042 0.000 1.157 1017 I CA 0.159 61.417 61.300 -0.070 0.000 1.338 1017 I CB -1.397 36.548 38.000 -0.092 0.000 1.588 1017 I HN 0.069 nan 8.210 nan 0.000 0.441 1018 P HA -0.036 nan 4.420 nan 0.000 0.214 1018 P C 1.844 179.139 177.300 -0.008 0.000 1.162 1018 P CA 1.851 64.946 63.100 -0.007 0.000 0.871 1018 P CB -0.040 31.668 31.700 0.013 0.000 0.783 1019 S N -0.703 114.993 115.700 -0.007 0.000 2.428 1019 S HA -0.032 4.439 4.470 0.002 0.000 0.230 1019 S C 1.939 176.526 174.600 -0.021 0.000 1.014 1019 S CA 0.439 58.632 58.200 -0.012 0.000 0.957 1019 S CB -0.810 62.383 63.200 -0.013 0.000 0.784 1019 S HN -0.047 nan 8.310 nan 0.000 0.499 1020 R N 0.771 121.252 120.500 -0.032 0.000 2.148 1020 R HA 0.216 4.557 4.340 0.002 0.000 0.223 1020 R C 0.700 176.985 176.300 -0.025 0.000 1.088 1020 R CA 0.509 56.582 56.100 -0.045 0.000 0.985 1020 R CB -0.907 29.357 30.300 -0.061 0.000 0.880 1020 R HN 0.507 nan 8.270 nan 0.000 0.451 1021 M N 1.093 120.681 119.600 -0.020 0.000 2.350 1021 M HA -0.174 4.307 4.480 0.002 0.000 0.190 1021 M C -0.157 176.141 176.300 -0.003 0.000 0.710 1021 M CA 0.874 56.169 55.300 -0.008 0.000 0.495 1021 M CB -1.356 31.249 32.600 0.008 0.000 1.136 1021 M HN 0.015 nan 8.290 nan 0.000 0.901 1022 T N -0.450 114.085 114.554 -0.032 0.000 3.390 1022 T HA 0.478 4.830 4.350 0.002 0.000 0.315 1022 T C 0.896 175.540 174.700 -0.092 0.000 1.799 1022 T CA -0.411 61.663 62.100 -0.044 0.000 1.553 1022 T CB 0.140 68.978 68.868 -0.050 0.000 1.002 1022 T HN 0.281 nan 8.240 nan 0.000 0.715 1023 V N 2.449 122.327 119.914 -0.060 0.000 2.626 1023 V HA -0.041 4.080 4.120 0.002 0.000 0.252 1023 V C 2.973 178.971 176.094 -0.159 0.000 1.067 1023 V CA 1.796 64.036 62.300 -0.100 0.000 1.081 1023 V CB -1.134 30.663 31.823 -0.043 0.000 0.686 1023 V HN 0.816 nan 8.190 nan 0.000 0.468 1024 A N -0.401 122.354 122.820 -0.107 0.000 1.940 1024 A HA -0.312 4.010 4.320 0.002 0.000 0.219 1024 A C 2.267 179.628 177.584 -0.372 0.000 1.176 1024 A CA 2.117 54.085 52.037 -0.115 0.000 0.631 1024 A CB -0.847 18.250 19.000 0.160 0.000 0.814 1024 A HN 0.675 nan 8.150 nan 0.000 0.446 1025 H N 0.026 118.606 119.070 -0.817 0.000 2.353 1025 H HA -0.026 4.532 4.556 0.002 0.000 0.300 1025 H C 1.883 177.067 175.328 -0.241 0.000 1.090 1025 H CA 1.930 57.560 56.048 -0.695 0.000 1.327 1025 H CB -0.212 29.246 29.762 -0.507 0.000 1.383 1025 H HN 0.433 nan 8.280 nan 0.000 0.508 1026 L N 0.086 121.276 121.223 -0.055 0.000 2.141 1026 L HA -0.147 4.195 4.340 0.002 0.000 0.209 1026 L C 2.755 179.556 176.870 -0.115 0.000 1.094 1026 L CA 0.805 55.570 54.840 -0.125 0.000 0.763 1026 L CB -0.242 41.610 42.059 -0.345 0.000 0.908 1026 L HN 0.211 nan 8.230 nan 0.000 0.437 1027 I N -0.665 119.766 120.570 -0.232 0.000 2.286 1027 I HA -0.247 3.925 4.170 0.002 0.000 0.245 1027 I C 2.627 178.613 176.117 -0.218 0.000 1.104 1027 I CA 1.108 62.191 61.300 -0.361 0.000 1.397 1027 I CB -0.334 37.187 38.000 -0.798 0.000 1.072 1027 I HN 0.294 nan 8.210 nan 0.000 0.417 1028 E N 0.527 120.682 120.200 -0.074 0.000 2.097 1028 E HA -0.325 4.026 4.350 0.002 0.000 0.196 1028 E C 2.370 178.991 176.600 0.036 0.000 1.000 1028 E CA 1.900 58.352 56.400 0.086 0.000 0.804 1028 E CB -0.131 29.638 29.700 0.115 0.000 0.740 1028 E HN 0.578 nan 8.360 nan 0.000 0.454 1029 C N 0.256 119.574 119.300 0.029 0.000 2.429 1029 C HA -0.130 4.332 4.460 0.002 0.000 0.277 1029 C C 2.728 177.707 174.990 -0.018 0.000 1.262 1029 C CA 0.917 59.951 59.018 0.027 0.000 1.733 1029 C CB -1.111 26.725 27.740 0.160 0.000 2.010 1029 C HN 0.547 nan 8.230 nan 0.000 0.483 1030 L N 0.231 121.496 121.223 0.070 0.000 2.056 1030 L HA 0.012 4.354 4.340 0.002 0.000 0.207 1030 L C 2.211 179.070 176.870 -0.018 0.000 1.078 1030 L CA 1.675 56.529 54.840 0.023 0.000 0.749 1030 L CB -0.694 41.410 42.059 0.075 0.000 0.901 1030 L HN 0.392 nan 8.230 nan 0.000 0.433 1031 L N -1.502 119.718 121.223 -0.005 0.000 2.072 1031 L HA -0.122 4.220 4.340 0.002 0.000 0.205 1031 L C 2.416 179.292 176.870 0.009 0.000 1.079 1031 L CA 1.750 56.608 54.840 0.028 0.000 0.752 1031 L CB -0.474 41.660 42.059 0.125 0.000 0.906 1031 L HN 0.197 nan 8.230 nan 0.000 0.436 1032 S N -0.659 115.041 115.700 -0.000 0.000 2.419 1032 S HA -0.195 4.276 4.470 0.002 0.000 0.233 1032 S C 1.940 176.502 174.600 -0.064 0.000 1.016 1032 S CA 1.274 59.460 58.200 -0.025 0.000 0.974 1032 S CB -0.248 62.943 63.200 -0.015 0.000 0.786 1032 S HN 0.397 nan 8.310 nan 0.000 0.492 1033 K N 1.030 121.375 120.400 -0.092 0.000 2.057 1033 K HA -0.033 4.288 4.320 0.002 0.000 0.206 1033 K C 1.909 178.439 176.600 -0.118 0.000 1.050 1033 K CA 1.031 57.238 56.287 -0.132 0.000 0.935 1033 K CB -0.165 32.227 32.500 -0.180 0.000 0.715 1033 K HN 0.137 nan 8.250 nan 0.000 0.439 1034 V N 1.154 121.013 119.914 -0.092 0.000 2.295 1034 V HA -0.240 3.881 4.120 0.002 0.000 0.246 1034 V C 2.328 178.351 176.094 -0.118 0.000 1.049 1034 V CA 2.010 64.241 62.300 -0.115 0.000 1.024 1034 V CB -0.614 31.186 31.823 -0.038 0.000 0.648 1034 V HN 0.467 nan 8.190 nan 0.000 0.447 1035 A N -0.210 122.570 122.820 -0.066 0.000 1.972 1035 A HA -0.105 4.216 4.320 0.002 0.000 0.219 1035 A C 2.369 179.917 177.584 -0.060 0.000 1.169 1035 A CA 2.063 54.069 52.037 -0.051 0.000 0.635 1035 A CB -0.601 18.378 19.000 -0.035 0.000 0.810 1035 A HN 0.573 nan 8.150 nan 0.000 0.446 1036 A N -0.743 122.034 122.820 -0.072 0.000 1.897 1036 A HA 0.119 4.440 4.320 0.002 0.000 0.215 1036 A C 2.042 179.592 177.584 -0.057 0.000 1.181 1036 A CA 1.411 53.413 52.037 -0.059 0.000 0.620 1036 A CB -0.449 18.513 19.000 -0.062 0.000 0.821 1036 A HN 0.403 nan 8.150 nan 0.000 0.443 1037 L N 0.366 121.523 121.223 -0.109 0.000 2.179 1037 L HA -0.086 4.255 4.340 0.002 0.000 0.208 1037 L C 2.819 179.640 176.870 -0.083 0.000 1.096 1037 L CA 1.750 56.518 54.840 -0.119 0.000 0.779 1037 L CB -0.118 41.777 42.059 -0.274 0.000 0.922 1037 L HN 0.554 nan 8.230 nan 0.000 0.443 1038 S N -1.823 113.807 115.700 -0.117 0.000 2.456 1038 S HA 0.235 4.706 4.470 0.002 0.000 0.224 1038 S C 1.735 176.351 174.600 0.026 0.000 1.035 1038 S CA 0.434 58.648 58.200 0.023 0.000 0.940 1038 S CB 0.365 63.587 63.200 0.038 0.000 0.799 1038 S HN 0.424 nan 8.310 nan 0.000 0.508 1039 G N 1.552 110.348 108.800 -0.006 0.000 2.195 1039 G HA2 -0.222 3.740 3.960 0.002 0.000 0.246 1039 G HA3 -0.222 3.740 3.960 0.002 0.000 0.246 1039 G C -0.174 174.720 174.900 -0.010 0.000 0.984 1039 G CA -0.027 45.070 45.100 -0.005 0.000 0.633 1039 G HN 0.510 nan 8.290 nan 0.000 0.525 1040 N N 1.436 120.133 118.700 -0.006 0.000 2.470 1040 N HA 0.297 5.038 4.740 0.002 0.000 0.268 1040 N C 0.183 175.677 175.510 -0.026 0.000 1.136 1040 N CA -0.007 53.037 53.050 -0.010 0.000 0.961 1040 N CB 1.042 39.532 38.487 0.006 0.000 1.067 1040 N HN 0.576 nan 8.380 nan 0.000 0.468 1041 E N 0.723 120.898 120.200 -0.041 0.000 2.415 1041 E HA 0.051 4.402 4.350 0.002 0.000 0.260 1041 E C 0.334 176.898 176.600 -0.061 0.000 1.016 1041 E CA -0.295 56.068 56.400 -0.061 0.000 0.924 1041 E CB 0.333 29.983 29.700 -0.082 0.000 0.961 1041 E HN 0.545 nan 8.360 nan 0.000 0.459 1042 G N 4.536 113.302 108.800 -0.055 0.000 2.307 1042 G HA2 -0.090 3.871 3.960 0.002 0.000 0.271 1042 G HA3 -0.090 3.871 3.960 0.002 0.000 0.271 1042 G C -0.197 174.659 174.900 -0.074 0.000 1.191 1042 G CA -0.391 44.689 45.100 -0.033 0.000 1.024 1042 G HN 0.558 nan 8.290 nan 0.000 0.441 1043 D N 2.069 122.431 120.400 -0.063 0.000 2.342 1043 D HA 0.348 4.990 4.640 0.002 0.000 0.260 1043 D C 0.939 177.114 176.300 -0.208 0.000 1.278 1043 D CA 0.156 54.080 54.000 -0.127 0.000 0.910 1043 D CB 0.916 41.670 40.800 -0.076 0.000 1.079 1043 D HN 0.315 nan 8.370 nan 0.000 0.496 1044 A N 2.920 125.490 122.820 -0.417 0.000 2.470 1044 A HA 0.185 4.506 4.320 0.002 0.000 0.251 1044 A C 0.857 177.923 177.584 -0.863 0.000 1.245 1044 A CA -0.367 51.079 52.037 -0.984 0.000 0.932 1044 A CB 0.141 18.696 19.000 -0.741 0.000 1.037 1044 A HN 0.416 nan 8.150 nan 0.000 0.522 1045 S N 2.513 117.936 115.700 -0.462 0.000 2.558 1045 S HA 0.119 4.591 4.470 0.002 0.000 0.293 1045 S C -1.345 173.113 174.600 -0.236 0.000 1.292 1045 S CA -0.440 57.589 58.200 -0.285 0.000 1.063 1045 S CB 0.629 63.727 63.200 -0.171 0.000 0.831 1045 S HN 0.277 nan 8.310 nan 0.000 0.499 1046 P HA -0.150 nan 4.420 nan 0.000 0.210 1046 P C -0.068 177.000 177.300 -0.387 0.000 1.151 1046 P CA 1.436 64.243 63.100 -0.490 0.000 0.949 1046 P CB 0.023 31.210 31.700 -0.856 0.000 0.786 1047 F N -0.685 119.401 119.950 0.226 0.000 2.308 1047 F HA 0.395 4.923 4.527 0.002 0.000 0.370 1047 F C 0.599 176.548 175.800 0.248 0.000 1.100 1047 F CA -0.420 57.703 58.000 0.203 0.000 1.108 1047 F CB 0.199 39.276 39.000 0.129 0.000 1.293 1047 F HN -0.185 nan 8.300 nan 0.000 0.478 1048 T N -0.651 114.109 114.554 0.345 0.000 2.812 1048 T HA 0.223 4.575 4.350 0.002 0.000 0.294 1048 T C -0.547 174.299 174.700 0.242 0.000 1.159 1048 T CA -0.944 61.332 62.100 0.294 0.000 1.008 1048 T CB 1.666 70.678 68.868 0.240 0.000 1.289 1048 T HN 0.150 nan 8.240 nan 0.000 0.514 1049 D N 1.242 121.763 120.400 0.203 0.000 3.008 1049 D HA 0.323 4.964 4.640 0.002 0.000 0.242 1049 D C -0.420 175.975 176.300 0.159 0.000 1.222 1049 D CA 0.199 54.298 54.000 0.165 0.000 0.883 1049 D CB -0.635 40.247 40.800 0.137 0.000 1.110 1049 D HN 0.358 nan 8.370 nan 0.000 0.455 1050 I N 0.115 120.800 120.570 0.192 0.000 2.433 1050 I HA 0.259 4.430 4.170 0.002 0.000 0.292 1050 I C 0.141 176.364 176.117 0.178 0.000 1.001 1050 I CA -0.434 60.979 61.300 0.188 0.000 1.119 1050 I CB 2.103 40.249 38.000 0.244 0.000 1.289 1050 I HN -0.253 nan 8.210 nan 0.000 0.438 1051 T N 4.137 118.760 114.554 0.115 0.000 2.893 1051 T HA 0.204 4.555 4.350 0.002 0.000 0.291 1051 T C 1.213 175.921 174.700 0.014 0.000 1.028 1051 T CA -0.738 61.407 62.100 0.074 0.000 0.995 1051 T CB 2.207 71.122 68.868 0.078 0.000 1.051 1051 T HN 0.446 nan 8.240 nan 0.000 0.470 1052 V N 0.275 120.162 119.914 -0.045 0.000 2.469 1052 V HA -0.145 3.976 4.120 0.002 0.000 0.251 1052 V C 1.820 177.906 176.094 -0.012 0.000 1.064 1052 V CA 1.450 63.704 62.300 -0.077 0.000 1.066 1052 V CB -0.932 30.816 31.823 -0.125 0.000 0.667 1052 V HN 0.907 nan 8.190 nan 0.000 0.461 1053 E N 1.204 121.412 120.200 0.013 0.000 2.347 1053 E HA 0.047 4.399 4.350 0.002 0.000 0.196 1053 E C 2.250 178.875 176.600 0.042 0.000 1.008 1053 E CA 0.847 57.266 56.400 0.033 0.000 0.852 1053 E CB -0.287 29.435 29.700 0.037 0.000 0.783 1053 E HN 0.737 nan 8.360 nan 0.000 0.505 1054 G N 0.918 109.745 108.800 0.044 0.000 2.453 1054 G HA2 -0.132 3.829 3.960 0.002 0.000 0.215 1054 G HA3 -0.132 3.829 3.960 0.002 0.000 0.215 1054 G C 1.543 176.476 174.900 0.056 0.000 1.147 1054 G CA 0.065 45.197 45.100 0.055 0.000 0.802 1054 G HN 0.094 nan 8.290 nan 0.000 0.535 1055 I N 1.132 121.728 120.570 0.044 0.000 2.353 1055 I HA -0.112 4.059 4.170 0.002 0.000 0.248 1055 I C 2.833 178.982 176.117 0.054 0.000 1.119 1055 I CA 0.737 62.063 61.300 0.044 0.000 1.417 1055 I CB -0.068 37.940 38.000 0.014 0.000 1.078 1055 I HN 0.035 nan 8.210 nan 0.000 0.421 1056 S N 0.696 116.427 115.700 0.052 0.000 2.399 1056 S HA -0.161 4.311 4.470 0.002 0.000 0.231 1056 S C 1.918 176.565 174.600 0.078 0.000 1.022 1056 S CA 1.192 59.433 58.200 0.069 0.000 0.983 1056 S CB -0.171 63.069 63.200 0.066 0.000 0.803 1056 S HN 0.393 nan 8.310 nan 0.000 0.480 1057 K N 0.805 121.247 120.400 0.070 0.000 2.097 1057 K HA 0.029 4.350 4.320 0.002 0.000 0.206 1057 K C 1.961 178.613 176.600 0.086 0.000 1.049 1057 K CA 0.881 57.210 56.287 0.070 0.000 0.933 1057 K CB -0.185 32.351 32.500 0.060 0.000 0.717 1057 K HN 0.270 nan 8.250 nan 0.000 0.442 1058 L N 0.362 121.646 121.223 0.102 0.000 2.209 1058 L HA -0.057 4.285 4.340 0.002 0.000 0.207 1058 L C 1.996 178.997 176.870 0.218 0.000 1.094 1058 L CA 0.291 55.220 54.840 0.148 0.000 0.790 1058 L CB 0.080 42.218 42.059 0.133 0.000 0.932 1058 L HN 0.121 nan 8.230 nan 0.000 0.447 1059 L N -0.297 121.023 121.223 0.160 0.000 2.217 1059 L HA -0.113 4.228 4.340 0.002 0.000 0.211 1059 L C 2.471 179.463 176.870 0.204 0.000 1.107 1059 L CA 1.304 56.252 54.840 0.180 0.000 0.783 1059 L CB -0.413 41.719 42.059 0.121 0.000 0.919 1059 L HN 0.105 nan 8.230 nan 0.000 0.442 1060 R N -0.317 120.272 120.500 0.149 0.000 2.153 1060 R HA -0.047 4.295 4.340 0.002 0.000 0.218 1060 R C 1.992 178.344 176.300 0.086 0.000 1.072 1060 R CA 0.995 57.164 56.100 0.115 0.000 0.990 1060 R CB -0.278 30.073 30.300 0.086 0.000 0.889 1060 R HN 0.325 nan 8.270 nan 0.000 0.452 1061 E N -0.388 119.866 120.200 0.089 0.000 2.204 1061 E HA -0.155 4.197 4.350 0.002 0.000 0.194 1061 E C 1.064 177.622 176.600 -0.070 0.000 0.989 1061 E CA 0.912 57.315 56.400 0.005 0.000 0.824 1061 E CB -0.093 29.599 29.700 -0.013 0.000 0.756 1061 E HN 0.589 nan 8.360 nan 0.000 0.477 1062 H N -1.197 117.890 119.070 0.029 0.000 2.539 1062 H HA 0.114 4.672 4.556 0.002 0.000 0.269 1062 H C 1.376 176.646 175.328 -0.097 0.000 0.980 1062 H CA 0.802 56.854 56.048 0.007 0.000 1.152 1062 H CB 1.073 30.883 29.762 0.081 0.000 1.407 1062 H HN 0.344 nan 8.280 nan 0.000 0.564 1063 G N 0.228 109.025 108.800 -0.006 0.000 2.284 1063 G HA2 -0.248 3.713 3.960 0.002 0.000 0.216 1063 G HA3 -0.248 3.713 3.960 0.002 0.000 0.216 1063 G C -0.012 174.814 174.900 -0.123 0.000 1.009 1063 G CA -0.267 44.756 45.100 -0.128 0.000 0.625 1063 G HN 0.362 nan 8.290 nan 0.000 0.501 1064 Y N 1.087 121.436 120.300 0.083 0.000 2.281 1064 Y HA 0.505 5.056 4.550 0.002 0.000 0.337 1064 Y C 1.054 176.998 175.900 0.073 0.000 1.304 1064 Y CA 0.012 58.153 58.100 0.068 0.000 1.465 1064 Y CB 0.383 38.879 38.460 0.060 0.000 1.350 1064 Y HN 0.261 nan 8.280 nan 0.000 0.575 1065 Q N 0.859 120.829 119.800 0.282 0.000 2.300 1065 Q HA 0.010 4.351 4.340 0.002 0.000 0.280 1065 Q C 0.870 176.985 176.000 0.191 0.000 1.033 1065 Q CA 0.443 56.370 55.803 0.207 0.000 0.903 1065 Q CB 1.068 29.941 28.738 0.225 0.000 1.195 1065 Q HN 0.704 nan 8.270 nan 0.000 0.386 1066 S N 3.997 119.795 115.700 0.162 0.000 2.469 1066 S HA -0.090 4.381 4.470 0.002 0.000 0.238 1066 S C 0.883 175.573 174.600 0.149 0.000 0.998 1066 S CA 0.724 59.008 58.200 0.140 0.000 0.957 1066 S CB 0.031 63.299 63.200 0.113 0.000 0.764 1066 S HN 0.660 nan 8.310 nan 0.000 0.514 1067 R N 0.451 121.076 120.500 0.208 0.000 2.432 1067 R HA 0.356 4.697 4.340 0.002 0.000 0.260 1067 R C 1.677 178.096 176.300 0.198 0.000 0.935 1067 R CA 0.467 56.717 56.100 0.250 0.000 1.080 1067 R CB -0.416 30.129 30.300 0.409 0.000 1.155 1067 R HN 0.591 nan 8.270 nan 0.000 0.531 1068 G N 0.823 109.695 108.800 0.120 0.000 2.241 1068 G HA2 -0.295 3.666 3.960 0.002 0.000 0.244 1068 G HA3 -0.295 3.666 3.960 0.002 0.000 0.244 1068 G C 0.182 174.992 174.900 -0.151 0.000 0.998 1068 G CA -0.190 44.849 45.100 -0.103 0.000 0.621 1068 G HN 0.259 nan 8.290 nan 0.000 0.519 1069 F N 1.841 121.873 119.950 0.136 0.000 2.553 1069 F HA 0.537 5.065 4.527 0.002 0.000 0.356 1069 F C 1.110 176.932 175.800 0.038 0.000 1.142 1069 F CA 0.511 58.574 58.000 0.105 0.000 1.322 1069 F CB 0.532 39.598 39.000 0.110 0.000 1.126 1069 F HN 0.125 nan 8.300 nan 0.000 0.599 1070 E N 0.360 120.667 120.200 0.179 0.000 2.367 1070 E HA 0.381 4.733 4.350 0.002 0.000 0.273 1070 E C -1.467 175.123 176.600 -0.017 0.000 0.903 1070 E CA -1.046 55.381 56.400 0.045 0.000 0.764 1070 E CB 2.694 32.334 29.700 -0.101 0.000 1.252 1070 E HN 0.190 nan 8.360 nan 0.000 0.446 1071 V N 3.004 122.890 119.914 -0.047 0.000 2.397 1071 V HA 0.144 4.266 4.120 0.002 0.000 0.262 1071 V C 0.085 176.039 176.094 -0.233 0.000 1.047 1071 V CA 0.435 62.648 62.300 -0.144 0.000 1.003 1071 V CB -0.145 31.598 31.823 -0.133 0.000 1.037 1071 V HN 0.603 nan 8.190 nan 0.000 0.480 1072 M N 4.599 124.019 119.600 -0.299 0.000 2.528 1072 M HA 0.573 5.054 4.480 0.002 0.000 0.318 1072 M C -1.177 174.815 176.300 -0.514 0.000 1.195 1072 M CA -0.356 54.754 55.300 -0.318 0.000 1.000 1072 M CB 1.980 34.440 32.600 -0.234 0.000 1.615 1072 M HN 0.512 nan 8.290 nan 0.000 0.469 1073 Y N 0.509 120.462 120.300 -0.577 0.000 2.429 1073 Y HA 0.327 4.878 4.550 0.002 0.000 0.342 1073 Y C 0.202 175.807 175.900 -0.491 0.000 1.004 1073 Y CA -1.108 56.599 58.100 -0.655 0.000 1.075 1073 Y CB 1.030 38.805 38.460 -1.141 0.000 1.214 1073 Y HN 0.537 nan 8.280 nan 0.000 0.455 1074 N N 1.443 120.097 118.700 -0.077 0.000 2.440 1074 N HA -0.039 4.702 4.740 0.002 0.000 0.265 1074 N C 1.063 176.655 175.510 0.137 0.000 1.239 1074 N CA 0.766 53.839 53.050 0.039 0.000 0.909 1074 N CB 1.454 39.951 38.487 0.017 0.000 1.066 1074 N HN 1.071 nan 8.380 nan 0.000 0.474 1075 G N 3.370 112.261 108.800 0.152 0.000 2.432 1075 G HA2 -0.241 3.720 3.960 0.002 0.000 0.219 1075 G HA3 -0.241 3.720 3.960 0.002 0.000 0.219 1075 G C 1.136 176.111 174.900 0.125 0.000 1.135 1075 G CA 0.759 45.980 45.100 0.202 0.000 0.767 1075 G HN 0.711 nan 8.290 nan 0.000 0.550 1076 H N 0.468 119.622 119.070 0.139 0.000 2.343 1076 H HA -0.015 4.542 4.556 0.002 0.000 0.303 1076 H C 2.920 178.293 175.328 0.075 0.000 1.068 1076 H CA 1.885 57.974 56.048 0.069 0.000 1.359 1076 H CB -0.741 29.031 29.762 0.016 0.000 1.402 1076 H HN 0.506 nan 8.280 nan 0.000 0.515 1077 T N -3.458 111.213 114.554 0.195 0.000 3.033 1077 T HA 0.271 4.622 4.350 0.002 0.000 0.248 1077 T C 1.830 176.617 174.700 0.145 0.000 1.040 1077 T CA 0.916 63.098 62.100 0.136 0.000 1.133 1077 T CB 0.071 68.996 68.868 0.096 0.000 0.895 1077 T HN 0.501 nan 8.240 nan 0.000 0.465 1078 G N 1.439 110.353 108.800 0.189 0.000 2.157 1078 G HA2 -0.228 3.733 3.960 0.002 0.000 0.239 1078 G HA3 -0.228 3.733 3.960 0.002 0.000 0.239 1078 G C -0.036 174.998 174.900 0.223 0.000 0.982 1078 G CA 0.187 45.431 45.100 0.241 0.000 0.650 1078 G HN 0.805 nan 8.290 nan 0.000 0.527 1079 K N 0.887 121.371 120.400 0.141 0.000 2.202 1079 K HA 0.443 4.764 4.320 0.002 0.000 0.264 1079 K C 0.674 177.275 176.600 0.002 0.000 1.010 1079 K CA -0.541 55.798 56.287 0.088 0.000 0.940 1079 K CB 0.364 32.885 32.500 0.035 0.000 0.983 1079 K HN 0.177 nan 8.250 nan 0.000 0.475 1080 K N 2.524 122.856 120.400 -0.113 0.000 2.355 1080 K HA 0.082 4.403 4.320 0.002 0.000 0.270 1080 K C -0.333 176.120 176.600 -0.246 0.000 1.003 1080 K CA -0.056 55.998 56.287 -0.389 0.000 0.957 1080 K CB 0.441 32.729 32.500 -0.354 0.000 0.939 1080 K HN 0.413 nan 8.250 nan 0.000 0.482 1081 L N 4.040 125.093 121.223 -0.283 0.000 2.281 1081 L HA 0.101 4.443 4.340 0.002 0.000 0.285 1081 L C 1.487 178.276 176.870 -0.135 0.000 1.074 1081 L CA -0.416 54.329 54.840 -0.158 0.000 0.817 1081 L CB 0.914 42.902 42.059 -0.119 0.000 1.168 1081 L HN 0.741 nan 8.230 nan 0.000 0.434 1082 M N 3.498 123.042 119.600 -0.092 0.000 2.088 1082 M HA -0.158 4.323 4.480 0.002 0.000 0.256 1082 M C 0.898 177.151 176.300 -0.078 0.000 1.071 1082 M CA 1.871 57.124 55.300 -0.078 0.000 1.097 1082 M CB -0.053 32.514 32.600 -0.055 0.000 1.315 1082 M HN 0.682 nan 8.290 nan 0.000 0.406 1083 A N -0.533 122.250 122.820 -0.062 0.000 2.282 1083 A HA 0.575 4.896 4.320 0.002 0.000 0.319 1083 A C -0.460 177.096 177.584 -0.047 0.000 1.121 1083 A CA -0.730 51.271 52.037 -0.060 0.000 0.836 1083 A CB 0.475 19.454 19.000 -0.036 0.000 1.146 1083 A HN 0.472 nan 8.150 nan 0.000 0.494 1084 Q N -0.401 119.372 119.800 -0.044 0.000 2.214 1084 Q HA 0.660 5.001 4.340 0.002 0.000 0.251 1084 Q C -1.271 174.870 176.000 0.235 0.000 0.936 1084 Q CA -0.046 55.777 55.803 0.034 0.000 0.894 1084 Q CB 1.535 30.273 28.738 -0.001 0.000 1.252 1084 Q HN 0.564 nan 8.270 nan 0.000 0.448 1085 I N 1.244 121.983 120.570 0.282 0.000 2.404 1085 I HA 0.263 4.435 4.170 0.002 0.000 0.293 1085 I C -0.770 175.555 176.117 0.347 0.000 0.992 1085 I CA -0.637 60.860 61.300 0.327 0.000 1.149 1085 I CB 0.899 39.006 38.000 0.179 0.000 1.315 1085 I HN 0.497 nan 8.210 nan 0.000 0.446 1086 F N 7.312 127.286 119.950 0.039 0.000 2.541 1086 F HA 0.345 4.873 4.527 0.002 0.000 0.378 1086 F C -0.846 174.942 175.800 -0.020 0.000 1.068 1086 F CA 0.275 58.075 58.000 -0.333 0.000 1.199 1086 F CB 0.092 38.766 39.000 -0.544 0.000 1.091 1086 F HN 0.286 nan 8.300 nan 0.000 0.555 1087 F N 4.435 123.884 119.950 -0.835 0.000 2.588 1087 F HA 0.784 5.312 4.527 0.002 0.000 0.310 1087 F C -0.105 175.285 175.800 -0.683 0.000 1.082 1087 F CA 0.051 57.714 58.000 -0.562 0.000 0.929 1087 F CB 1.991 40.803 39.000 -0.315 0.000 1.254 1087 F HN 0.761 nan 8.300 nan 0.000 0.455 1088 G N 3.849 112.102 108.800 -0.911 0.000 2.345 1088 G HA2 0.273 4.234 3.960 0.002 0.000 0.285 1088 G HA3 0.273 4.234 3.960 0.002 0.000 0.285 1088 G C -3.203 171.395 174.900 -0.503 0.000 1.297 1088 G CA -0.627 44.109 45.100 -0.607 0.000 0.875 1088 G HN 0.426 nan 8.290 nan 0.000 0.506 1089 P HA 0.382 nan 4.420 nan 0.000 0.251 1089 P C -0.015 177.251 177.300 -0.056 0.000 1.289 1089 P CA 1.448 64.457 63.100 -0.152 0.000 0.676 1089 P CB 0.037 31.687 31.700 -0.083 0.000 1.294 1090 T N -3.270 111.302 114.554 0.030 0.000 0.543 1090 T HA -0.152 4.199 4.350 0.002 0.000 0.774 1090 T C -1.373 173.480 174.700 0.256 0.000 0.992 1090 T CA -0.593 61.571 62.100 0.107 0.000 4.076 1090 T CB -1.685 67.259 68.868 0.125 0.000 2.302 1090 T HN 0.176 nan 8.240 nan 0.000 0.398 1091 Y N 2.583 122.920 120.300 0.061 0.000 2.308 1091 Y HA 0.620 5.171 4.550 0.003 0.000 0.329 1091 Y C -0.604 175.364 175.900 0.114 0.000 1.111 1091 Y CA -0.572 57.595 58.100 0.113 0.000 1.179 1091 Y CB 0.791 39.283 38.460 0.054 0.000 1.201 1091 Y HN 0.664 nan 8.280 nan 0.000 0.483 1092 Y N 4.142 124.336 120.300 -0.175 0.000 2.346 1092 Y HA 0.283 4.835 4.550 0.002 0.000 0.332 1092 Y C -0.820 175.084 175.900 0.007 0.000 0.985 1092 Y CA -0.970 57.156 58.100 0.043 0.000 1.112 1092 Y CB 1.665 40.294 38.460 0.282 0.000 1.170 1092 Y HN 0.513 nan 8.280 nan 0.000 0.447 1093 Q N 3.115 122.983 119.800 0.113 0.000 2.278 1093 Q HA 0.455 4.797 4.340 0.002 0.000 0.257 1093 Q C -0.469 175.623 176.000 0.154 0.000 0.928 1093 Q CA -1.047 54.839 55.803 0.138 0.000 0.932 1093 Q CB 1.975 30.781 28.738 0.113 0.000 1.221 1093 Q HN 0.582 nan 8.270 nan 0.000 0.434 1094 R N 3.726 124.325 120.500 0.165 0.000 2.291 1094 R HA 0.145 4.487 4.340 0.002 0.000 0.333 1094 R C -0.823 175.375 176.300 -0.171 0.000 1.082 1094 R CA -0.455 55.535 56.100 -0.182 0.000 0.948 1094 R CB 0.009 30.260 30.300 -0.083 0.000 1.009 1094 R HN 0.607 nan 8.270 nan 0.000 0.460 1095 L N 3.231 124.314 121.223 -0.233 0.000 2.395 1095 L HA 0.451 4.793 4.340 0.002 0.000 0.269 1095 L C 0.930 177.687 176.870 -0.188 0.000 1.133 1095 L CA -0.548 54.204 54.840 -0.147 0.000 0.812 1095 L CB 0.293 42.299 42.059 -0.089 0.000 1.125 1095 L HN 0.566 nan 8.230 nan 0.000 0.452 1096 R N -0.058 120.369 120.500 -0.121 0.000 2.879 1096 R HA 0.246 4.588 4.340 0.002 0.000 0.219 1096 R C -0.457 175.816 176.300 -0.044 0.000 1.167 1096 R CA -0.451 55.578 56.100 -0.118 0.000 1.062 1096 R CB -0.265 29.945 30.300 -0.150 0.000 1.093 1096 R HN 0.730 nan 8.270 nan 0.000 0.510 1097 H N -0.430 118.586 119.070 -0.090 0.000 2.847 1097 H HA -0.107 4.451 4.556 0.002 0.000 0.336 1097 H C -0.464 174.816 175.328 -0.081 0.000 1.221 1097 H CA 1.010 57.011 56.048 -0.077 0.000 1.162 1097 H CB -1.325 28.388 29.762 -0.082 0.000 1.566 1097 H HN 0.476 nan 8.280 nan 0.000 0.430 1098 M N -0.545 119.041 119.600 -0.023 0.000 2.114 1098 M HA 0.067 4.548 4.480 0.002 0.000 0.293 1098 M C 2.020 178.310 176.300 -0.016 0.000 1.201 1098 M CA 0.114 55.389 55.300 -0.042 0.000 1.107 1098 M CB 0.641 33.200 32.600 -0.069 0.000 1.405 1098 M HN 0.131 nan 8.290 nan 0.000 0.486 1099 V N 0.762 120.668 119.914 -0.014 0.000 2.295 1099 V HA -0.255 3.866 4.120 0.002 0.000 0.246 1099 V C 1.260 177.346 176.094 -0.014 0.000 1.049 1099 V CA 2.347 64.645 62.300 -0.003 0.000 1.024 1099 V CB -0.330 31.495 31.823 0.005 0.000 0.648 1099 V HN 0.838 nan 8.190 nan 0.000 0.447 1100 D N -0.204 120.175 120.400 -0.036 0.000 2.378 1100 D HA -0.073 4.569 4.640 0.002 0.000 0.222 1100 D C 1.433 177.691 176.300 -0.070 0.000 0.980 1100 D CA 0.761 54.730 54.000 -0.052 0.000 0.907 1100 D CB -0.177 40.582 40.800 -0.070 0.000 0.899 1100 D HN 0.511 nan 8.370 nan 0.000 0.527 1101 D N -0.665 119.694 120.400 -0.068 0.000 2.339 1101 D HA 0.028 4.669 4.640 0.002 0.000 0.217 1101 D C 1.599 177.889 176.300 -0.017 0.000 1.050 1101 D CA 0.267 54.226 54.000 -0.067 0.000 0.856 1101 D CB 0.547 41.297 40.800 -0.084 0.000 0.922 1101 D HN 0.108 nan 8.370 nan 0.000 0.518 1102 K N -0.081 120.319 120.400 0.000 0.000 2.399 1102 K HA 0.152 4.473 4.320 0.002 0.000 0.196 1102 K C 0.636 177.255 176.600 0.032 0.000 1.117 1102 K CA -0.318 55.984 56.287 0.025 0.000 0.965 1102 K CB 1.047 33.568 32.500 0.036 0.000 0.983 1102 K HN 0.039 nan 8.250 nan 0.000 0.531 1103 I N 3.173 123.758 120.570 0.024 0.000 2.828 1103 I HA -0.154 4.017 4.170 0.002 0.000 0.292 1103 I C 0.341 176.512 176.117 0.089 0.000 1.206 1103 I CA 0.821 62.151 61.300 0.049 0.000 1.420 1103 I CB -0.233 37.783 38.000 0.027 0.000 1.368 1103 I HN 0.065 nan 8.210 nan 0.000 0.556 1104 H N 6.199 125.273 119.070 0.006 0.000 2.538 1104 H HA 0.857 5.414 4.556 0.001 0.000 0.353 1104 H C -1.135 174.198 175.328 0.008 0.000 1.109 1104 H CA -1.260 54.792 56.048 0.007 0.000 1.192 1104 H CB 1.788 31.557 29.762 0.013 0.000 1.555 1104 H HN 0.569 nan 8.280 nan 0.000 0.518 1105 A N 4.833 127.831 122.820 0.296 0.000 2.437 1105 A HA 0.611 4.933 4.320 0.002 0.000 0.293 1105 A C -0.987 176.610 177.584 0.021 0.000 1.038 1105 A CA -0.744 51.326 52.037 0.056 0.000 0.708 1105 A CB 1.240 20.274 19.000 0.057 0.000 1.251 1105 A HN 0.717 nan 8.150 nan 0.000 0.409 1106 R N 1.583 122.031 120.500 -0.087 0.000 2.621 1106 R HA 0.752 5.094 4.340 0.002 0.000 0.284 1106 R C -1.110 175.162 176.300 -0.046 0.000 0.998 1106 R CA 0.079 56.144 56.100 -0.059 0.000 0.895 1106 R CB 1.918 32.153 30.300 -0.108 0.000 1.195 1106 R HN 1.373 nan 8.270 nan 0.000 0.450 1107 A N 4.633 127.438 122.820 -0.025 0.000 3.127 1107 A HA 0.471 4.792 4.320 0.002 0.000 0.319 1107 A C -0.732 176.840 177.584 -0.020 0.000 1.104 1107 A CA -0.440 51.583 52.037 -0.024 0.000 0.802 1107 A CB 0.329 19.319 19.000 -0.017 0.000 1.193 1107 A HN 0.941 nan 8.150 nan 0.000 0.479 1108 R N -0.316 120.169 120.500 -0.024 0.000 1.108 1108 R HA 0.001 4.342 4.340 0.002 0.000 0.425 1108 R C 0.208 176.499 176.300 -0.015 0.000 1.347 1108 R CA 0.958 57.045 56.100 -0.021 0.000 1.080 1108 R CB -0.918 29.370 30.300 -0.020 0.000 3.248 1108 R HN 1.983 nan 8.270 nan 0.000 0.507 1109 G N 3.666 112.458 108.800 -0.014 0.000 2.696 1109 G HA2 0.513 4.474 3.960 0.002 0.000 0.151 1109 G HA3 0.513 4.474 3.960 0.002 0.000 0.151 1109 G C -2.817 172.076 174.900 -0.011 0.000 1.197 1109 G CA -0.370 44.725 45.100 -0.009 0.000 1.053 1109 G HN 0.512 nan 8.290 nan 0.000 0.546 1110 P HA 0.418 nan 4.420 nan 0.000 0.271 1110 P C -0.942 176.352 177.300 -0.011 0.000 1.216 1110 P CA 0.261 63.358 63.100 -0.005 0.000 0.771 1110 P CB 0.966 32.671 31.700 0.007 0.000 0.864 1111 M N 1.766 121.351 119.600 -0.025 0.000 2.321 1111 M HA 0.282 4.764 4.480 0.002 0.000 0.315 1111 M C 0.138 176.414 176.300 -0.039 0.000 1.052 1111 M CA -0.723 54.552 55.300 -0.042 0.000 0.936 1111 M CB 1.919 34.474 32.600 -0.075 0.000 1.639 1111 M HN 0.437 nan 8.290 nan 0.000 0.433 1112 Q N 1.481 121.264 119.800 -0.029 0.000 2.313 1112 Q HA 0.145 4.486 4.340 0.002 0.000 0.266 1112 Q C 0.819 176.801 176.000 -0.031 0.000 0.989 1112 Q CA -0.072 55.721 55.803 -0.016 0.000 0.890 1112 Q CB 1.414 30.153 28.738 0.001 0.000 1.200 1112 Q HN 0.677 nan 8.270 nan 0.000 0.396 1113 V N 5.561 125.464 119.914 -0.019 0.000 2.594 1113 V HA -0.202 3.919 4.120 0.002 0.000 0.253 1113 V C 1.557 177.661 176.094 0.016 0.000 1.069 1113 V CA 1.718 64.005 62.300 -0.022 0.000 1.082 1113 V CB -0.199 31.621 31.823 -0.006 0.000 0.680 1113 V HN 0.852 nan 8.190 nan 0.000 0.469 1114 L N -0.155 121.089 121.223 0.035 0.000 2.179 1114 L HA 0.032 4.373 4.340 0.002 0.000 0.208 1114 L C 2.109 179.052 176.870 0.121 0.000 1.096 1114 L CA 2.619 57.499 54.840 0.066 0.000 0.779 1114 L CB -0.361 41.721 42.059 0.039 0.000 0.922 1114 L HN 0.444 nan 8.230 nan 0.000 0.443 1115 T N -2.582 112.029 114.554 0.095 0.000 2.959 1115 T HA 0.204 4.556 4.350 0.002 0.000 0.254 1115 T C 0.827 175.597 174.700 0.117 0.000 1.003 1115 T CA -0.142 62.038 62.100 0.133 0.000 0.950 1115 T CB 0.354 69.259 68.868 0.061 0.000 1.090 1115 T HN 0.176 nan 8.240 nan 0.000 0.503 1116 R N 0.934 121.392 120.500 -0.070 0.000 3.946 1116 R HA -0.157 4.184 4.340 0.002 0.000 0.329 1116 R C -0.374 175.861 176.300 -0.108 0.000 1.209 1116 R CA 0.613 56.575 56.100 -0.230 0.000 0.909 1116 R CB -1.682 28.218 30.300 -0.666 0.000 1.355 1116 R HN 0.548 nan 8.270 nan 0.000 0.539 1117 Q N 0.341 120.120 119.800 -0.036 0.000 2.214 1117 Q HA 0.343 4.684 4.340 0.002 0.000 0.251 1117 Q C -2.317 173.674 176.000 -0.015 0.000 0.936 1117 Q CA -2.157 53.636 55.803 -0.016 0.000 0.894 1117 Q CB 1.163 29.906 28.738 0.009 0.000 1.252 1117 Q HN -0.126 nan 8.270 nan 0.000 0.448 1118 P HA -0.112 nan 4.420 nan 0.000 0.265 1118 P C -0.528 176.782 177.300 0.018 0.000 1.187 1118 P CA 0.087 63.187 63.100 -0.000 0.000 0.766 1118 P CB 0.309 32.007 31.700 -0.004 0.000 0.820 1119 V N 0.470 120.401 119.914 0.027 0.000 3.441 1119 V HA 0.239 4.360 4.120 0.002 0.000 0.300 1119 V C 0.452 176.581 176.094 0.058 0.000 1.091 1119 V CA -0.455 61.867 62.300 0.037 0.000 1.099 1119 V CB 0.147 31.990 31.823 0.033 0.000 1.138 1119 V HN 0.465 nan 8.190 nan 0.000 0.471 1120 E N 0.314 120.545 120.200 0.053 0.000 2.301 1120 E HA 0.531 4.882 4.350 0.002 0.000 0.275 1120 E C 0.232 176.871 176.600 0.065 0.000 1.030 1120 E CA 0.388 56.825 56.400 0.062 0.000 0.852 1120 E CB 1.019 30.745 29.700 0.044 0.000 1.060 1120 E HN 1.616 nan 8.360 nan 0.000 0.401 1121 G N 2.710 111.558 108.800 0.080 0.000 2.733 1121 G HA2 -0.277 3.685 3.960 0.002 0.000 0.686 1121 G HA3 -0.277 3.685 3.960 0.002 0.000 0.686 1121 G C 0.271 175.134 174.900 -0.061 0.000 1.373 1121 G CA 0.067 45.184 45.100 0.028 0.000 0.838 1121 G HN 0.776 nan 8.290 nan 0.000 0.588 1122 R N -0.341 119.981 120.500 -0.297 0.000 2.275 1122 R HA 0.140 4.481 4.340 0.002 0.000 0.199 1122 R C 2.547 178.664 176.300 -0.305 0.000 0.989 1122 R CA 1.828 57.487 56.100 -0.735 0.000 1.016 1122 R CB -0.266 29.528 30.300 -0.844 0.000 0.918 1122 R HN 0.984 nan 8.270 nan 0.000 0.473 1123 S N 1.050 116.665 115.700 -0.143 0.000 2.382 1123 S HA -0.099 4.372 4.470 0.002 0.000 0.228 1123 S C 1.720 176.298 174.600 -0.035 0.000 1.027 1123 S CA 0.733 58.895 58.200 -0.063 0.000 0.991 1123 S CB -0.128 63.060 63.200 -0.019 0.000 0.823 1123 S HN 0.439 nan 8.310 nan 0.000 0.469 1124 R N 0.771 121.258 120.500 -0.023 0.000 2.466 1124 R HA 0.232 4.573 4.340 0.002 0.000 0.279 1124 R C -0.420 175.891 176.300 0.019 0.000 0.976 1124 R CA 0.314 56.417 56.100 0.005 0.000 1.081 1124 R CB 0.054 30.365 30.300 0.018 0.000 1.215 1124 R HN 0.255 nan 8.270 nan 0.000 0.546 1125 D N 0.091 120.501 120.400 0.016 0.000 2.775 1125 D HA -0.115 4.526 4.640 0.002 0.000 0.235 1125 D C 0.171 176.569 176.300 0.163 0.000 1.120 1125 D CA 1.091 55.141 54.000 0.084 0.000 0.708 1125 D CB -0.866 39.962 40.800 0.047 0.000 1.084 1125 D HN 0.461 nan 8.370 nan 0.000 0.434 1126 G N -0.919 108.011 108.800 0.216 0.000 2.553 1126 G HA2 0.623 4.584 3.960 0.002 0.000 0.278 1126 G HA3 0.623 4.584 3.960 0.002 0.000 0.278 1126 G C 0.585 175.601 174.900 0.194 0.000 1.349 1126 G CA 0.101 45.325 45.100 0.208 0.000 1.037 1126 G HN 0.367 nan 8.290 nan 0.000 0.508 1127 G N -1.932 106.913 108.800 0.076 0.000 2.644 1127 G HA2 0.563 4.525 3.960 0.002 0.000 0.307 1127 G HA3 0.563 4.525 3.960 0.002 0.000 0.307 1127 G C -0.759 174.111 174.900 -0.049 0.000 1.250 1127 G CA -0.843 44.220 45.100 -0.061 0.000 0.996 1127 G HN 0.525 nan 8.290 nan 0.000 0.489 1128 L N -0.443 120.728 121.223 -0.086 0.000 2.416 1128 L HA 0.541 4.882 4.340 0.002 0.000 0.262 1128 L C 0.520 177.414 176.870 0.040 0.000 1.093 1128 L CA -0.999 53.828 54.840 -0.021 0.000 0.801 1128 L CB 1.542 43.579 42.059 -0.036 0.000 1.191 1128 L HN 0.426 nan 8.230 nan 0.000 0.459 1129 R N 1.094 121.630 120.500 0.059 0.000 2.234 1129 R HA 0.177 4.519 4.340 0.002 0.000 0.324 1129 R C -1.097 175.277 176.300 0.124 0.000 1.054 1129 R CA 0.095 56.240 56.100 0.076 0.000 0.912 1129 R CB 0.270 30.596 30.300 0.043 0.000 1.030 1129 R HN 0.344 nan 8.270 nan 0.000 0.455 1130 F N 5.288 125.230 119.950 -0.012 0.000 2.334 1130 F HA 0.485 5.013 4.527 0.002 0.000 0.343 1130 F C 0.519 176.314 175.800 -0.008 0.000 1.136 1130 F CA -0.432 57.561 58.000 -0.011 0.000 1.237 1130 F CB 0.455 39.434 39.000 -0.034 0.000 1.525 1130 F HN 0.697 nan 8.300 nan 0.000 0.528 1131 G N 2.141 110.858 108.800 -0.139 0.000 2.525 1131 G HA2 -0.011 3.950 3.960 0.002 0.000 0.276 1131 G HA3 -0.011 3.950 3.960 0.002 0.000 0.276 1131 G C 0.723 175.538 174.900 -0.141 0.000 1.388 1131 G CA -0.139 44.904 45.100 -0.094 0.000 1.050 1131 G HN 0.605 nan 8.290 nan 0.000 0.520 1132 E N -1.039 119.114 120.200 -0.078 0.000 2.077 1132 E HA -0.143 4.208 4.350 0.002 0.000 0.193 1132 E C 2.635 179.177 176.600 -0.097 0.000 0.989 1132 E CA 1.019 57.381 56.400 -0.063 0.000 0.800 1132 E CB -0.088 29.592 29.700 -0.033 0.000 0.746 1132 E HN 0.405 nan 8.360 nan 0.000 0.452 1133 M N 0.233 119.767 119.600 -0.109 0.000 2.117 1133 M HA -0.159 4.322 4.480 0.002 0.000 0.262 1133 M C 2.032 178.226 176.300 -0.176 0.000 1.065 1133 M CA 1.476 56.709 55.300 -0.111 0.000 1.114 1133 M CB -0.757 31.789 32.600 -0.091 0.000 1.361 1133 M HN 0.038 nan 8.290 nan 0.000 0.408 1134 E N 0.003 120.015 120.200 -0.314 0.000 2.110 1134 E HA -0.131 4.220 4.350 0.002 0.000 0.193 1134 E C 2.097 178.310 176.600 -0.645 0.000 0.988 1134 E CA 0.932 56.989 56.400 -0.572 0.000 0.804 1134 E CB -0.285 28.837 29.700 -0.963 0.000 0.745 1134 E HN 0.339 nan 8.360 nan 0.000 0.458 1135 R N 0.811 121.040 120.500 -0.452 0.000 2.066 1135 R HA -0.160 4.181 4.340 0.002 0.000 0.232 1135 R C 1.088 177.400 176.300 0.021 0.000 1.131 1135 R CA 1.697 57.763 56.100 -0.058 0.000 0.955 1135 R CB -0.154 30.182 30.300 0.061 0.000 0.851 1135 R HN 0.147 nan 8.270 nan 0.000 0.432 1136 D N 0.402 120.785 120.400 -0.029 0.000 2.158 1136 D HA -0.179 4.463 4.640 0.002 0.000 0.197 1136 D C 1.968 178.276 176.300 0.014 0.000 0.995 1136 D CA 1.350 55.348 54.000 -0.004 0.000 0.846 1136 D CB -0.526 40.258 40.800 -0.027 0.000 0.941 1136 D HN 0.356 nan 8.370 nan 0.000 0.456 1137 C N 0.578 119.885 119.300 0.012 0.000 2.435 1137 C HA -0.051 4.410 4.460 0.002 0.000 0.279 1137 C C 2.561 177.652 174.990 0.168 0.000 1.321 1137 C CA 0.280 59.327 59.018 0.047 0.000 1.752 1137 C CB -0.648 27.130 27.740 0.063 0.000 1.959 1137 C HN 0.311 nan 8.230 nan 0.000 0.500 1138 M N 0.702 120.444 119.600 0.237 0.000 2.349 1138 M HA 0.076 4.557 4.480 0.002 0.000 0.266 1138 M C 1.885 178.321 176.300 0.227 0.000 1.076 1138 M CA 1.144 56.640 55.300 0.327 0.000 1.126 1138 M CB -1.193 31.663 32.600 0.427 0.000 1.392 1138 M HN 0.374 nan 8.290 nan 0.000 0.440 1139 I N 0.155 120.813 120.570 0.146 0.000 2.252 1139 I HA -0.206 3.965 4.170 0.002 0.000 0.245 1139 I C 2.586 178.742 176.117 0.065 0.000 1.102 1139 I CA 1.134 62.491 61.300 0.095 0.000 1.385 1139 I CB -0.785 37.252 38.000 0.062 0.000 1.064 1139 I HN 0.200 nan 8.210 nan 0.000 0.414 1140 A N 0.301 123.137 122.820 0.027 0.000 1.908 1140 A HA -0.239 4.082 4.320 0.002 0.000 0.218 1140 A C 2.248 179.794 177.584 -0.064 0.000 1.181 1140 A CA 1.635 53.644 52.037 -0.048 0.000 0.627 1140 A CB -0.913 18.016 19.000 -0.118 0.000 0.818 1140 A HN 0.430 nan 8.150 nan 0.000 0.445 1141 H N -1.476 117.618 119.070 0.040 0.000 2.428 1141 H HA 0.055 4.612 4.556 0.002 0.000 0.296 1141 H C 1.955 177.305 175.328 0.036 0.000 1.062 1141 H CA 1.370 57.438 56.048 0.034 0.000 1.350 1141 H CB -0.117 29.669 29.762 0.040 0.000 1.403 1141 H HN 0.661 nan 8.280 nan 0.000 0.533 1142 G N -0.101 108.801 108.800 0.170 0.000 2.175 1142 G HA2 -0.268 3.694 3.960 0.002 0.000 0.244 1142 G HA3 -0.268 3.694 3.960 0.002 0.000 0.244 1142 G C 0.628 175.599 174.900 0.119 0.000 0.982 1142 G CA 0.319 45.488 45.100 0.115 0.000 0.641 1142 G HN 0.678 nan 8.290 nan 0.000 0.527 1143 A N 0.492 123.405 122.820 0.156 0.000 2.752 1143 A HA 0.704 5.026 4.320 0.002 0.000 0.292 1143 A C 1.707 179.392 177.584 0.169 0.000 1.597 1143 A CA 1.247 53.373 52.037 0.148 0.000 1.241 1143 A CB -0.239 18.851 19.000 0.150 0.000 1.061 1143 A HN 1.761 nan 8.150 nan 0.000 0.576 1144 A N 2.037 124.926 122.820 0.114 0.000 1.874 1144 A HA 0.013 4.334 4.320 0.002 0.000 0.214 1144 A C 2.395 180.024 177.584 0.076 0.000 1.189 1144 A CA 1.792 53.882 52.037 0.088 0.000 0.615 1144 A CB -0.617 18.419 19.000 0.061 0.000 0.830 1144 A HN 0.689 nan 8.150 nan 0.000 0.443 1145 S N -0.767 114.980 115.700 0.079 0.000 2.383 1145 S HA -0.114 4.357 4.470 0.002 0.000 0.227 1145 S C 1.667 176.311 174.600 0.073 0.000 1.026 1145 S CA 1.421 59.657 58.200 0.059 0.000 0.981 1145 S CB -0.492 62.741 63.200 0.056 0.000 0.818 1145 S HN 0.600 nan 8.310 nan 0.000 0.472 1146 F N 2.223 122.157 119.950 -0.027 0.000 2.163 1146 F HA 0.081 4.609 4.527 0.002 0.000 0.297 1146 F C 1.899 177.655 175.800 -0.073 0.000 1.094 1146 F CA 0.723 58.694 58.000 -0.050 0.000 1.290 1146 F CB -0.440 38.539 39.000 -0.036 0.000 1.017 1146 F HN 0.126 nan 8.300 nan 0.000 0.483 1147 L N 0.722 121.911 121.223 -0.057 0.000 2.042 1147 L HA -0.230 4.111 4.340 0.002 0.000 0.210 1147 L C 2.668 179.416 176.870 -0.204 0.000 1.076 1147 L CA 1.802 56.563 54.840 -0.131 0.000 0.749 1147 L CB -0.699 41.407 42.059 0.077 0.000 0.893 1147 L HN 0.103 nan 8.230 nan 0.000 0.432 1148 K N 0.172 120.499 120.400 -0.121 0.000 2.057 1148 K HA -0.258 4.064 4.320 0.002 0.000 0.206 1148 K C 1.945 178.440 176.600 -0.175 0.000 1.050 1148 K CA 1.935 58.158 56.287 -0.107 0.000 0.935 1148 K CB -0.150 32.321 32.500 -0.047 0.000 0.715 1148 K HN 0.506 nan 8.250 nan 0.000 0.439 1149 E N -0.073 119.993 120.200 -0.224 0.000 2.268 1149 E HA -0.118 4.233 4.350 0.002 0.000 0.195 1149 E C 1.924 178.308 176.600 -0.359 0.000 0.995 1149 E CA 0.394 56.652 56.400 -0.237 0.000 0.836 1149 E CB 0.259 29.857 29.700 -0.169 0.000 0.763 1149 E HN 0.155 nan 8.360 nan 0.000 0.491 1150 R N -0.060 120.088 120.500 -0.586 0.000 2.073 1150 R HA -0.078 4.263 4.340 0.002 0.000 0.229 1150 R C 2.102 178.150 176.300 -0.420 0.000 1.120 1150 R CA 0.651 56.338 56.100 -0.689 0.000 0.967 1150 R CB -0.481 29.048 30.300 -1.284 0.000 0.862 1150 R HN 0.191 nan 8.270 nan 0.000 0.436 1151 L N -0.273 120.764 121.223 -0.310 0.000 2.418 1151 L HA 0.032 4.373 4.340 0.002 0.000 0.218 1151 L C 1.835 178.648 176.870 -0.094 0.000 1.125 1151 L CA 1.190 55.936 54.840 -0.156 0.000 0.835 1151 L CB -0.230 41.774 42.059 -0.092 0.000 0.953 1151 L HN 0.068 nan 8.230 nan 0.000 0.454 1152 M N -1.403 118.131 119.600 -0.110 0.000 2.940 1152 M HA 0.123 4.604 4.480 0.002 0.000 0.162 1152 M C 1.876 178.140 176.300 -0.060 0.000 1.557 1152 M CA 0.548 55.813 55.300 -0.058 0.000 1.498 1152 M CB -0.907 31.660 32.600 -0.054 0.000 0.812 1152 M HN -0.164 nan 8.290 nan 0.000 0.520 1153 E N 1.040 121.193 120.200 -0.078 0.000 2.331 1153 E HA -0.027 4.325 4.350 0.002 0.000 0.199 1153 E C 1.077 177.635 176.600 -0.069 0.000 1.008 1153 E CA 1.176 57.536 56.400 -0.066 0.000 0.843 1153 E CB -0.199 29.459 29.700 -0.070 0.000 0.761 1153 E HN 0.506 nan 8.360 nan 0.000 0.507 1154 A N -1.142 121.618 122.820 -0.100 0.000 2.535 1154 A HA 0.424 4.746 4.320 0.002 0.000 0.273 1154 A C 1.182 178.709 177.584 -0.094 0.000 1.267 1154 A CA 0.200 52.175 52.037 -0.102 0.000 0.940 1154 A CB 0.500 19.415 19.000 -0.142 0.000 1.101 1154 A HN 0.103 nan 8.150 nan 0.000 0.521 1155 S N -1.158 114.499 115.700 -0.072 0.000 3.962 1155 S HA 0.193 4.664 4.470 0.002 0.000 0.175 1155 S C 0.462 175.050 174.600 -0.020 0.000 1.091 1155 S CA 0.662 58.832 58.200 -0.050 0.000 1.174 1155 S CB -0.326 62.839 63.200 -0.059 0.000 1.845 1155 S HN 0.230 nan 8.310 nan 0.000 0.835 1156 D N 1.804 122.209 120.400 0.009 0.000 2.128 1156 D HA 0.493 5.134 4.640 0.002 0.000 0.213 1156 D C 0.542 176.895 176.300 0.088 0.000 0.983 1156 D CA 1.571 55.605 54.000 0.056 0.000 0.889 1156 D CB -0.504 40.362 40.800 0.109 0.000 1.018 1156 D HN 0.926 nan 8.370 nan 0.000 0.448 1157 A N -0.277 122.617 122.820 0.124 0.000 1.616 1157 A HA -0.070 4.251 4.320 0.002 0.000 0.208 1157 A C -0.546 177.214 177.584 0.294 0.000 1.293 1157 A CA 0.261 52.393 52.037 0.158 0.000 0.657 1157 A CB -1.808 17.238 19.000 0.077 0.000 1.154 1157 A HN 0.277 nan 8.150 nan 0.000 0.202 1158 F N 3.003 123.033 119.950 0.133 0.000 2.591 1158 F HA 0.695 5.223 4.527 0.002 0.000 0.309 1158 F C -0.104 175.752 175.800 0.093 0.000 1.098 1158 F CA -0.961 57.123 58.000 0.139 0.000 0.937 1158 F CB 1.432 40.572 39.000 0.233 0.000 1.250 1158 F HN 0.631 nan 8.300 nan 0.000 0.447 1159 R N 5.747 125.814 120.500 -0.722 0.000 2.215 1159 R HA 0.627 4.969 4.340 0.002 0.000 0.336 1159 R C -1.785 173.940 176.300 -0.957 0.000 0.996 1159 R CA -0.205 55.466 56.100 -0.715 0.000 0.847 1159 R CB 0.697 30.683 30.300 -0.524 0.000 1.127 1159 R HN 0.556 nan 8.270 nan 0.000 0.465 1160 V N 3.550 123.077 119.914 -0.645 0.000 2.994 1160 V HA 0.477 4.598 4.120 0.002 0.000 0.318 1160 V C 0.055 175.878 176.094 -0.452 0.000 1.085 1160 V CA -0.961 61.091 62.300 -0.413 0.000 0.998 1160 V CB 2.124 33.898 31.823 -0.081 0.000 1.063 1160 V HN 0.659 nan 8.190 nan 0.000 0.447 1161 H N 2.191 121.205 119.070 -0.093 0.000 2.466 1161 H HA 0.638 5.195 4.556 0.002 0.000 0.338 1161 H C -0.838 174.451 175.328 -0.066 0.000 1.091 1161 H CA -0.273 55.720 56.048 -0.092 0.000 1.207 1161 H CB 2.099 31.811 29.762 -0.085 0.000 1.466 1161 H HN 0.492 nan 8.280 nan 0.000 0.493 1162 I N 1.274 121.863 120.570 0.031 0.000 2.648 1162 I HA 0.198 4.370 4.170 0.002 0.000 0.304 1162 I C 0.651 176.749 176.117 -0.032 0.000 1.009 1162 I CA -0.871 60.426 61.300 -0.005 0.000 1.114 1162 I CB 1.802 39.786 38.000 -0.027 0.000 1.293 1162 I HN 0.443 nan 8.210 nan 0.000 0.449 1163 C N 3.176 122.443 119.300 -0.055 0.000 2.534 1163 C HA 0.484 4.945 4.460 0.002 0.000 0.385 1163 C C 1.843 176.770 174.990 -0.105 0.000 1.264 1163 C CA 0.084 59.050 59.018 -0.087 0.000 2.342 1163 C CB 0.442 28.141 27.740 -0.068 0.000 2.564 1163 C HN 1.036 nan 8.230 nan 0.000 0.603 1164 G N 2.996 111.726 108.800 -0.116 0.000 2.421 1164 G HA2 -0.029 3.933 3.960 0.002 0.000 0.217 1164 G HA3 -0.029 3.933 3.960 0.002 0.000 0.217 1164 G C 1.003 175.780 174.900 -0.205 0.000 1.143 1164 G CA 1.175 46.218 45.100 -0.095 0.000 0.784 1164 G HN 0.747 nan 8.290 nan 0.000 0.541 1165 I N 1.045 121.526 120.570 -0.149 0.000 2.490 1165 I HA 0.092 4.263 4.170 0.002 0.000 0.234 1165 I C 1.570 177.618 176.117 -0.115 0.000 1.066 1165 I CA 0.131 61.366 61.300 -0.109 0.000 1.405 1165 I CB -0.625 37.355 38.000 -0.034 0.000 1.191 1165 I HN 0.226 nan 8.210 nan 0.000 0.433 1166 C N 1.659 120.919 119.300 -0.065 0.000 2.499 1166 C HA 0.647 5.108 4.460 0.002 0.000 0.386 1166 C C 1.362 176.308 174.990 -0.073 0.000 1.293 1166 C CA -1.097 57.908 59.018 -0.022 0.000 1.884 1166 C CB -0.485 27.255 27.740 -0.001 0.000 2.509 1166 C HN 0.627 nan 8.230 nan 0.000 0.566 1167 G N 3.963 112.748 108.800 -0.024 0.000 3.452 1167 G HA2 0.414 4.375 3.960 0.002 0.000 0.258 1167 G HA3 0.414 4.375 3.960 0.002 0.000 0.258 1167 G C -0.116 174.743 174.900 -0.067 0.000 1.305 1167 G CA -0.244 44.820 45.100 -0.059 0.000 1.514 1167 G HN 0.804 nan 8.290 nan 0.000 0.593 1168 L N 0.156 121.349 121.223 -0.049 0.000 2.362 1168 L HA 0.428 4.769 4.340 0.002 0.000 0.271 1168 L C 0.871 177.735 176.870 -0.011 0.000 1.002 1168 L CA -1.058 53.763 54.840 -0.032 0.000 0.818 1168 L CB 2.240 44.297 42.059 -0.004 0.000 1.298 1168 L HN 0.261 nan 8.230 nan 0.000 0.420 1169 M N 0.528 120.135 119.600 0.012 0.000 3.596 1169 M HA 0.166 4.647 4.480 0.002 0.000 0.212 1169 M C 0.266 176.603 176.300 0.062 0.000 1.519 1169 M CA -0.012 55.316 55.300 0.047 0.000 1.670 1169 M CB -0.959 31.690 32.600 0.082 0.000 1.113 1169 M HN 0.682 nan 8.290 nan 0.000 0.565 1170 T N -2.380 112.200 114.554 0.044 0.000 3.040 1170 T HA 0.267 4.618 4.350 0.002 0.000 0.266 1170 T C 0.510 175.237 174.700 0.045 0.000 1.005 1170 T CA -0.105 62.022 62.100 0.045 0.000 0.906 1170 T CB -0.299 68.588 68.868 0.030 0.000 1.082 1170 T HN 0.520 nan 8.240 nan 0.000 0.531 1171 V N 0.714 120.656 119.914 0.047 0.000 2.637 1171 V HA 0.524 4.645 4.120 0.002 0.000 0.296 1171 V C 0.196 176.328 176.094 0.063 0.000 1.046 1171 V CA -1.304 61.024 62.300 0.045 0.000 1.066 1171 V CB -0.195 31.642 31.823 0.023 0.000 0.968 1171 V HN 0.201 nan 8.190 nan 0.000 0.483 1172 I N 4.275 124.881 120.570 0.060 0.000 2.452 1172 I HA 0.435 4.606 4.170 0.002 0.000 0.287 1172 I C 0.928 177.079 176.117 0.057 0.000 1.079 1172 I CA 0.668 62.000 61.300 0.053 0.000 1.387 1172 I CB 1.003 39.024 38.000 0.036 0.000 1.404 1172 I HN 0.890 nan 8.210 nan 0.000 0.522 1173 A N 7.278 130.119 122.820 0.035 0.000 2.969 1173 A HA 0.351 4.673 4.320 0.002 0.000 0.328 1173 A C 0.239 177.795 177.584 -0.047 0.000 1.355 1173 A CA -0.708 51.318 52.037 -0.017 0.000 1.018 1173 A CB -0.481 18.488 19.000 -0.051 0.000 1.159 1173 A HN 0.646 nan 8.150 nan 0.000 0.505 1174 K N 2.077 122.412 120.400 -0.108 0.000 2.083 1174 K HA 0.197 4.518 4.320 0.002 0.000 0.246 1174 K C -0.471 176.003 176.600 -0.210 0.000 1.160 1174 K CA 0.074 56.288 56.287 -0.123 0.000 1.060 1174 K CB 0.041 32.491 32.500 -0.084 0.000 1.417 1174 K HN 0.635 nan 8.250 nan 0.000 0.329 1175 L N 2.877 124.017 121.223 -0.138 0.000 2.511 1175 L HA 0.015 4.356 4.340 0.002 0.000 0.239 1175 L C 0.779 177.548 176.870 -0.168 0.000 1.400 1175 L CA -0.025 54.741 54.840 -0.122 0.000 1.226 1175 L CB -0.902 41.147 42.059 -0.017 0.000 1.475 1175 L HN 0.620 nan 8.230 nan 0.000 0.428 1176 N N -0.716 117.819 118.700 -0.275 0.000 2.584 1176 N HA -0.024 4.717 4.740 0.002 0.000 0.318 1176 N C 1.093 176.347 175.510 -0.427 0.000 0.669 1176 N CA 0.099 52.910 53.050 -0.398 0.000 1.248 1176 N CB 0.233 38.351 38.487 -0.615 0.000 1.659 1176 N HN 0.358 nan 8.380 nan 0.000 1.460 1177 H N 0.824 119.815 119.070 -0.133 0.000 2.529 1177 H HA 0.477 5.035 4.556 0.002 0.000 0.277 1177 H C 0.061 175.263 175.328 -0.211 0.000 1.004 1177 H CA 0.293 56.259 56.048 -0.137 0.000 1.167 1177 H CB -0.014 29.681 29.762 -0.112 0.000 1.445 1177 H HN 0.265 nan 8.280 nan 0.000 0.554 1178 N N 0.089 118.629 118.700 -0.266 0.000 2.961 1178 N HA -0.243 4.498 4.740 0.002 0.000 0.223 1178 N C -0.320 174.696 175.510 -0.823 0.000 0.866 1178 N CA 0.711 53.453 53.050 -0.514 0.000 1.030 1178 N CB -0.777 37.541 38.487 -0.280 0.000 1.037 1178 N HN 0.544 nan 8.380 nan 0.000 0.608 1179 Q N -0.123 119.407 119.800 -0.450 0.000 2.262 1179 Q HA 0.022 4.363 4.340 0.002 0.000 0.298 1179 Q C 0.326 176.047 176.000 -0.465 0.000 1.083 1179 Q CA 0.691 56.289 55.803 -0.341 0.000 0.962 1179 Q CB 0.274 28.927 28.738 -0.142 0.000 1.104 1179 Q HN 0.248 nan 8.270 nan 0.000 0.376 1180 F N 0.765 120.675 119.950 -0.067 0.000 2.468 1180 F HA 0.170 4.698 4.527 0.002 0.000 0.250 1180 F C 0.226 175.984 175.800 -0.070 0.000 0.990 1180 F CA -0.088 57.854 58.000 -0.096 0.000 1.043 1180 F CB -0.023 38.904 39.000 -0.121 0.000 1.184 1180 F HN 0.517 nan 8.300 nan 0.000 0.690 1181 E N -1.000 119.299 120.200 0.166 0.000 7.832 1181 E HA -0.252 4.099 4.350 0.002 0.000 0.464 1181 E C -1.240 175.387 176.600 0.045 0.000 0.594 1181 E CA 0.378 56.819 56.400 0.068 0.000 1.043 1181 E CB -0.852 28.871 29.700 0.038 0.000 0.978 1181 E HN 0.488 nan 8.360 nan 0.000 0.263 1182 C N 3.841 123.152 119.300 0.018 0.000 3.290 1182 C HA 0.251 4.713 4.460 0.002 0.000 0.206 1182 C C -0.294 174.700 174.990 0.007 0.000 1.639 1182 C CA -0.550 58.472 59.018 0.008 0.000 1.408 1182 C CB -1.031 26.703 27.740 -0.011 0.000 2.197 1182 C HN 0.500 nan 8.230 nan 0.000 0.508 1183 K N 1.107 121.514 120.400 0.011 0.000 2.437 1183 K HA 0.478 4.799 4.320 0.002 0.000 0.277 1183 K C 1.114 177.719 176.600 0.009 0.000 1.073 1183 K CA 1.102 57.395 56.287 0.009 0.000 1.105 1183 K CB -0.052 32.453 32.500 0.009 0.000 0.881 1183 K HN 0.816 nan 8.250 nan 0.000 0.475 1184 G N 1.354 110.158 108.800 0.007 0.000 2.796 1184 G HA2 -0.247 3.715 3.960 0.002 0.000 0.198 1184 G HA3 -0.247 3.715 3.960 0.002 0.000 0.198 1184 G C 0.997 175.901 174.900 0.006 0.000 1.062 1184 G CA -0.105 44.999 45.100 0.007 0.000 0.752 1184 G HN 0.627 nan 8.290 nan 0.000 0.487 1185 C N 0.953 120.255 119.300 0.002 0.000 2.820 1185 C HA 0.514 4.975 4.460 0.002 0.000 0.323 1185 C C 0.691 175.679 174.990 -0.003 0.000 1.279 1185 C CA 0.270 59.288 59.018 -0.001 0.000 1.790 1185 C CB 0.121 27.857 27.740 -0.008 0.000 2.328 1185 C HN 0.749 nan 8.230 nan 0.000 0.579 1186 D N 2.623 123.022 120.400 -0.003 0.000 4.044 1186 D HA -0.157 4.484 4.640 0.002 0.000 0.242 1186 D C -0.655 175.641 176.300 -0.006 0.000 1.076 1186 D CA 1.273 55.272 54.000 -0.002 0.000 1.171 1186 D CB -1.048 39.752 40.800 -0.000 0.000 0.866 1186 D HN 0.907 nan 8.370 nan 0.000 0.413 1187 N N 0.725 119.421 118.700 -0.007 0.000 2.710 1187 N HA 0.325 5.066 4.740 0.002 0.000 0.257 1187 N C -0.324 175.185 175.510 -0.002 0.000 1.140 1187 N CA -0.891 52.152 53.050 -0.012 0.000 0.953 1187 N CB 1.055 39.525 38.487 -0.029 0.000 1.664 1187 N HN 0.012 nan 8.380 nan 0.000 0.497 1188 K N 0.906 121.312 120.400 0.011 0.000 2.355 1188 K HA 0.308 4.629 4.320 0.002 0.000 0.198 1188 K C 0.461 177.089 176.600 0.047 0.000 1.039 1188 K CA 0.090 56.413 56.287 0.059 0.000 1.075 1188 K CB 0.327 32.864 32.500 0.063 0.000 0.870 1188 K HN 0.440 nan 8.250 nan 0.000 0.540 1189 I N 0.788 121.343 120.570 -0.024 0.000 2.499 1189 I HA -0.076 4.095 4.170 0.002 0.000 0.243 1189 I C 0.708 176.720 176.117 -0.174 0.000 1.085 1189 I CA 0.686 61.947 61.300 -0.064 0.000 1.422 1189 I CB 0.200 38.170 38.000 -0.050 0.000 1.165 1189 I HN -0.043 nan 8.210 nan 0.000 0.440 1190 D N 2.298 122.585 120.400 -0.189 0.000 2.435 1190 D HA 0.325 4.966 4.640 0.002 0.000 0.230 1190 D C -0.880 175.175 176.300 -0.409 0.000 1.215 1190 D CA 0.075 53.893 54.000 -0.303 0.000 0.947 1190 D CB -0.241 40.448 40.800 -0.184 0.000 1.048 1190 D HN 0.100 nan 8.370 nan 0.000 0.512 1191 I N 0.766 120.960 120.570 -0.627 0.000 2.769 1191 I HA 0.499 4.670 4.170 0.002 0.000 0.298 1191 I C -1.266 174.399 176.117 -0.754 0.000 1.128 1191 I CA -1.120 59.816 61.300 -0.607 0.000 1.031 1191 I CB 1.502 39.096 38.000 -0.677 0.000 1.235 1191 I HN -0.029 nan 8.210 nan 0.000 0.423 1192 Y N 1.938 122.128 120.300 -0.184 0.000 2.477 1192 Y HA 0.592 5.143 4.550 0.002 0.000 0.347 1192 Y C -0.262 175.564 175.900 -0.124 0.000 0.981 1192 Y CA -0.712 57.303 58.100 -0.141 0.000 1.033 1192 Y CB 2.195 40.579 38.460 -0.127 0.000 1.245 1192 Y HN 0.664 nan 8.280 nan 0.000 0.455 1193 Q N 4.444 124.266 119.800 0.037 0.000 2.241 1193 Q HA 0.709 5.050 4.340 0.002 0.000 0.254 1193 Q C -1.386 174.502 176.000 -0.188 0.000 0.917 1193 Q CA -0.763 54.942 55.803 -0.164 0.000 0.919 1193 Q CB 1.180 29.821 28.738 -0.161 0.000 1.237 1193 Q HN 0.726 nan 8.270 nan 0.000 0.434 1194 I N -0.157 120.232 120.570 -0.302 0.000 2.686 1194 I HA 0.429 4.601 4.170 0.002 0.000 0.295 1194 I C -1.329 174.588 176.117 -0.333 0.000 1.114 1194 I CA -1.117 60.049 61.300 -0.224 0.000 1.038 1194 I CB 2.100 40.040 38.000 -0.101 0.000 1.238 1194 I HN 0.601 nan 8.210 nan 0.000 0.420 1195 H N 5.863 124.901 119.070 -0.054 0.000 2.641 1195 H HA 0.689 5.246 4.556 0.002 0.000 0.295 1195 H C -0.430 174.911 175.328 0.021 0.000 1.070 1195 H CA -0.346 55.684 56.048 -0.030 0.000 1.257 1195 H CB 0.933 30.681 29.762 -0.022 0.000 1.393 1195 H HN 0.625 nan 8.280 nan 0.000 0.464 1196 I N 0.246 120.905 120.570 0.148 0.000 2.934 1196 I HA 0.629 4.801 4.170 0.002 0.000 0.306 1196 I C -2.927 173.313 176.117 0.205 0.000 1.110 1196 I CA -3.227 58.173 61.300 0.167 0.000 1.019 1196 I CB 2.537 40.653 38.000 0.193 0.000 1.227 1196 I HN 0.201 nan 8.210 nan 0.000 0.434 1197 P HA 0.012 nan 4.420 nan 0.000 0.269 1197 P C -0.337 177.073 177.300 0.183 0.000 1.215 1197 P CA 0.167 63.356 63.100 0.149 0.000 0.780 1197 P CB 0.278 32.018 31.700 0.067 0.000 0.898 1198 Y N 2.655 122.985 120.300 0.050 0.000 2.352 1198 Y HA -0.115 4.437 4.550 0.003 0.000 0.292 1198 Y C 2.208 178.063 175.900 -0.075 0.000 1.136 1198 Y CA 1.811 59.884 58.100 -0.045 0.000 1.227 1198 Y CB -0.586 37.773 38.460 -0.168 0.000 0.991 1198 Y HN 0.404 nan 8.280 nan 0.000 0.545 1199 A N -0.197 122.625 122.820 0.004 0.000 2.014 1199 A HA -0.001 4.320 4.320 0.002 0.000 0.218 1199 A C 2.346 179.805 177.584 -0.209 0.000 1.163 1199 A CA 1.350 53.333 52.037 -0.089 0.000 0.652 1199 A CB -1.120 17.859 19.000 -0.034 0.000 0.808 1199 A HN 0.500 nan 8.150 nan 0.000 0.449 1200 A N 0.111 122.799 122.820 -0.221 0.000 1.897 1200 A HA -0.103 4.218 4.320 0.002 0.000 0.215 1200 A C 2.126 179.383 177.584 -0.545 0.000 1.181 1200 A CA 1.734 53.486 52.037 -0.475 0.000 0.620 1200 A CB -0.452 18.379 19.000 -0.282 0.000 0.821 1200 A HN 0.491 nan 8.150 nan 0.000 0.443 1201 K N -0.324 119.964 120.400 -0.187 0.000 2.044 1201 K HA -0.167 4.154 4.320 0.002 0.000 0.210 1201 K C 1.889 178.379 176.600 -0.184 0.000 1.049 1201 K CA 1.549 57.794 56.287 -0.071 0.000 0.927 1201 K CB -0.308 32.112 32.500 -0.133 0.000 0.713 1201 K HN 0.354 nan 8.250 nan 0.000 0.443 1202 L N 1.234 122.259 121.223 -0.330 0.000 1.989 1202 L HA -0.207 4.134 4.340 0.002 0.000 0.211 1202 L C 2.683 179.445 176.870 -0.180 0.000 1.071 1202 L CA 1.298 55.987 54.840 -0.252 0.000 0.749 1202 L CB -1.175 40.737 42.059 -0.246 0.000 0.890 1202 L HN 0.349 nan 8.230 nan 0.000 0.431 1203 L N -0.176 120.885 121.223 -0.269 0.000 1.990 1203 L HA -0.256 4.085 4.340 0.002 0.000 0.213 1203 L C 2.448 179.227 176.870 -0.152 0.000 1.072 1203 L CA 1.978 56.657 54.840 -0.268 0.000 0.755 1203 L CB -0.819 40.980 42.059 -0.434 0.000 0.889 1203 L HN 0.086 nan 8.230 nan 0.000 0.432 1204 F N -0.725 119.211 119.950 -0.022 0.000 2.171 1204 F HA -0.221 4.308 4.527 0.002 0.000 0.300 1204 F C 2.607 178.400 175.800 -0.010 0.000 1.090 1204 F CA 1.239 59.234 58.000 -0.008 0.000 1.293 1204 F CB -0.386 38.615 39.000 0.001 0.000 1.013 1204 F HN 0.205 nan 8.300 nan 0.000 0.486 1205 Q N 0.201 120.083 119.800 0.136 0.000 2.123 1205 Q HA -0.166 4.175 4.340 0.002 0.000 0.199 1205 Q C 1.960 177.983 176.000 0.039 0.000 0.966 1205 Q CA 1.260 57.105 55.803 0.070 0.000 0.845 1205 Q CB -0.159 28.593 28.738 0.024 0.000 0.907 1205 Q HN 0.502 nan 8.270 nan 0.000 0.439 1206 E N 0.485 120.692 120.200 0.012 0.000 2.150 1206 E HA -0.137 4.214 4.350 0.002 0.000 0.193 1206 E C 1.894 178.508 176.600 0.023 0.000 0.985 1206 E CA 0.666 57.069 56.400 0.005 0.000 0.814 1206 E CB 0.055 29.744 29.700 -0.019 0.000 0.752 1206 E HN 0.298 nan 8.360 nan 0.000 0.466 1207 L N 0.083 121.333 121.223 0.045 0.000 2.156 1207 L HA -0.115 4.227 4.340 0.002 0.000 0.208 1207 L C 2.410 179.315 176.870 0.058 0.000 1.095 1207 L CA 0.758 55.633 54.840 0.058 0.000 0.770 1207 L CB -0.159 41.956 42.059 0.093 0.000 0.914 1207 L HN 0.200 nan 8.230 nan 0.000 0.439 1208 M N -0.790 118.849 119.600 0.066 0.000 2.175 1208 M HA -0.152 4.329 4.480 0.002 0.000 0.264 1208 M C 2.425 178.747 176.300 0.038 0.000 1.063 1208 M CA 1.689 57.021 55.300 0.053 0.000 1.119 1208 M CB -0.373 32.262 32.600 0.059 0.000 1.377 1208 M HN 0.291 nan 8.290 nan 0.000 0.415 1209 A N -0.136 122.703 122.820 0.033 0.000 2.070 1209 A HA -0.080 4.241 4.320 0.002 0.000 0.220 1209 A C 1.885 179.482 177.584 0.022 0.000 1.159 1209 A CA 1.217 53.268 52.037 0.024 0.000 0.656 1209 A CB -0.553 18.458 19.000 0.019 0.000 0.800 1209 A HN 0.496 nan 8.150 nan 0.000 0.453 1210 M N -0.873 118.742 119.600 0.024 0.000 2.551 1210 M HA 0.140 4.622 4.480 0.002 0.000 0.252 1210 M C 0.630 176.943 176.300 0.023 0.000 1.219 1210 M CA -0.009 55.304 55.300 0.021 0.000 0.978 1210 M CB -0.156 32.456 32.600 0.021 0.000 1.533 1210 M HN 0.590 nan 8.290 nan 0.000 0.474 1211 N N 1.048 119.763 118.700 0.025 0.000 2.965 1211 N HA -0.163 4.578 4.740 0.002 0.000 0.232 1211 N C -0.531 174.995 175.510 0.027 0.000 0.913 1211 N CA 0.589 53.653 53.050 0.024 0.000 0.981 1211 N CB -0.688 37.810 38.487 0.019 0.000 1.077 1211 N HN 0.379 nan 8.380 nan 0.000 0.589 1212 I N 2.016 122.606 120.570 0.033 0.000 2.342 1212 I HA 0.153 4.324 4.170 0.002 0.000 0.291 1212 I C 0.848 176.992 176.117 0.045 0.000 1.010 1212 I CA -0.306 61.016 61.300 0.037 0.000 1.308 1212 I CB 1.476 39.501 38.000 0.042 0.000 1.400 1212 I HN 0.028 nan 8.210 nan 0.000 0.488 1213 T N 3.629 118.205 114.554 0.036 0.000 2.738 1213 T HA 0.461 4.812 4.350 0.002 0.000 0.298 1213 T C -2.373 172.341 174.700 0.023 0.000 0.962 1213 T CA -1.831 60.288 62.100 0.031 0.000 0.972 1213 T CB 0.771 69.654 68.868 0.026 0.000 0.928 1213 T HN 0.319 nan 8.240 nan 0.000 0.474 1214 P HA 0.323 nan 4.420 nan 0.000 0.245 1214 P C -0.127 177.079 177.300 -0.156 0.000 1.740 1214 P CA -0.706 62.369 63.100 -0.042 0.000 1.125 1214 P CB 0.317 32.042 31.700 0.042 0.000 1.747 1215 R N 2.652 123.118 120.500 -0.057 0.000 2.537 1215 R HA 0.284 4.625 4.340 0.002 0.000 0.280 1215 R C 0.078 176.376 176.300 -0.004 0.000 1.058 1215 R CA -0.261 55.848 56.100 0.014 0.000 1.057 1215 R CB 0.418 30.816 30.300 0.165 0.000 0.973 1215 R HN 0.481 nan 8.270 nan 0.000 0.438 1216 L N 4.397 125.610 121.223 -0.017 0.000 2.295 1216 L HA 0.358 4.700 4.340 0.002 0.000 0.281 1216 L C -0.816 176.080 176.870 0.044 0.000 1.018 1216 L CA -0.653 54.162 54.840 -0.042 0.000 0.841 1216 L CB 0.513 42.465 42.059 -0.179 0.000 1.218 1216 L HN 0.397 nan 8.230 nan 0.000 0.424 1217 Y N 0.520 120.761 120.300 -0.098 0.000 2.387 1217 Y HA 0.270 4.821 4.550 0.002 0.000 0.336 1217 Y C 1.318 177.142 175.900 -0.126 0.000 1.067 1217 Y CA -0.930 57.116 58.100 -0.089 0.000 1.114 1217 Y CB 2.125 40.547 38.460 -0.063 0.000 1.208 1217 Y HN 0.539 nan 8.280 nan 0.000 0.458 1218 T N -2.377 112.110 114.554 -0.111 0.000 3.186 1218 T HA 0.270 4.621 4.350 0.002 0.000 0.257 1218 T C -0.730 173.875 174.700 -0.158 0.000 1.029 1218 T CA -0.248 61.717 62.100 -0.226 0.000 0.916 1218 T CB -0.857 67.671 68.868 -0.566 0.000 1.041 1218 T HN 0.612 nan 8.240 nan 0.000 0.562 1219 D N -0.622 119.759 120.400 -0.031 0.000 2.753 1219 D HA 0.424 5.065 4.640 0.002 0.000 0.224 1219 D C -0.811 175.510 176.300 0.035 0.000 1.213 1219 D CA -1.035 52.962 54.000 -0.005 0.000 0.833 1219 D CB 1.200 41.998 40.800 -0.003 0.000 1.607 1219 D HN -0.028 nan 8.370 nan 0.000 0.463 1220 R N 0.479 120.988 120.500 0.015 0.000 2.438 1220 R HA 0.447 4.788 4.340 0.002 0.000 0.287 1220 R C 0.448 176.753 176.300 0.008 0.000 1.077 1220 R CA 0.048 56.156 56.100 0.013 0.000 1.034 1220 R CB 1.104 31.413 30.300 0.014 0.000 0.993 1220 R HN 0.747 nan 8.270 nan 0.000 0.459 1221 S N 2.264 117.959 115.700 -0.008 0.000 2.891 1221 S HA 0.002 4.473 4.470 0.002 0.000 0.247 1221 S C 1.650 176.235 174.600 -0.025 0.000 1.063 1221 S CA -0.454 57.733 58.200 -0.022 0.000 0.857 1221 S CB 0.044 63.207 63.200 -0.061 0.000 0.800 1221 S HN 0.585 nan 8.310 nan 0.000 0.540 1222 R N 1.495 121.989 120.500 -0.010 0.000 2.323 1222 R HA 0.038 4.380 4.340 0.002 0.000 0.198 1222 R C 0.241 176.541 176.300 0.000 0.000 0.988 1222 R CA 0.754 56.862 56.100 0.014 0.000 1.041 1222 R CB -0.351 29.992 30.300 0.073 0.000 0.926 1222 R HN 0.542 nan 8.270 nan 0.000 0.476 1223 D N -1.199 119.196 120.400 -0.008 0.000 3.935 1223 D HA -0.319 4.323 4.640 0.002 0.000 0.149 1223 D C 0.022 176.367 176.300 0.076 0.000 0.932 1223 D CA 1.860 55.836 54.000 -0.040 0.000 1.083 1223 D CB -0.734 39.967 40.800 -0.164 0.000 0.549 1223 D HN 0.068 nan 8.370 nan 0.000 0.577 1224 F N 0.000 119.944 119.950 -0.010 0.000 2.286 1224 F HA 0.000 4.528 4.527 0.002 0.000 0.279 1224 F CA 0.000 57.995 58.000 -0.008 0.000 1.383 1224 F CB 0.000 38.995 39.000 -0.009 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574