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 1nik_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX 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 ALDFIGXXXX XXXXXKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEXX XXXXXXLAIN AKTITSGLKY ALATGNWGXX DATA SEQUENCE XXXXXXXAGV SQVLNRYTYS STLSHLRRTN TPIXXXXXXA KPRQLHNTHW DATA SEQUENCE GLVCPAETPE GQACGLVKNL SLMSCISVGT DPMPIITFLS EWGMEPLEDY DATA SEQUENCE VPHQSPDATR VFVNGVWHGV HRNPARLMET LRTLRRKGDI NPEVSMIRDI DATA SEQUENCE REKELKIFTD AGRVYRPLFI VEDDESLGHK ELKVRKGHIA KLMATEYQDX DATA SEQUENCE XXXXXXXXEY TWSSLLNEGL VEYIDAEEEE SILIAMQPED LEPAEAXXXX DATA SEQUENCE XXDVDPAKRI 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 0.000 176.280 176.300 -0.034 0.000 2.045 20 D CA 0.000 53.986 54.000 -0.023 0.000 0.868 20 D CB 0.000 40.790 40.800 -0.016 0.000 0.688 21 E N -0.266 119.901 120.200 -0.054 0.000 2.511 21 E HA 0.007 4.359 4.350 0.004 0.000 0.196 21 E C 0.497 177.038 176.600 -0.097 0.000 1.066 21 E CA 0.471 56.818 56.400 -0.087 0.000 0.871 21 E CB 0.177 29.804 29.700 -0.122 0.000 0.863 21 E HN 0.115 nan 8.360 nan 0.000 0.520 22 S N 0.709 116.373 115.700 -0.060 0.000 2.470 22 S HA 0.223 4.696 4.470 0.004 0.000 0.222 22 S C 1.100 175.688 174.600 -0.021 0.000 1.024 22 S CA 0.136 58.309 58.200 -0.045 0.000 0.931 22 S CB 0.211 63.390 63.200 -0.034 0.000 0.791 22 S HN 0.507 nan 8.310 nan 0.000 0.513 23 A N 3.623 126.435 122.820 -0.014 0.000 2.609 23 A HA 0.203 4.526 4.320 0.004 0.000 0.235 23 A C -1.676 175.914 177.584 0.011 0.000 1.092 23 A CA -0.408 51.630 52.037 0.003 0.000 0.780 23 A CB -0.474 18.528 19.000 0.004 0.000 1.031 23 A HN 0.219 nan 8.150 nan 0.000 0.515 24 P HA 0.473 nan 4.420 nan 0.000 0.297 24 P C -0.439 176.861 177.300 -0.001 0.000 1.303 24 P CA -0.175 62.934 63.100 0.015 0.000 0.753 24 P CB 0.547 32.269 31.700 0.036 0.000 1.281 25 I N -1.424 119.127 120.570 -0.033 0.000 3.133 25 I HA 0.473 4.645 4.170 0.004 0.000 0.311 25 I C 0.753 176.848 176.117 -0.036 0.000 1.072 25 I CA -0.720 60.555 61.300 -0.041 0.000 1.015 25 I CB 1.786 39.718 38.000 -0.113 0.000 1.233 25 I HN 0.358 nan 8.210 nan 0.000 0.473 26 T N -1.324 113.225 114.554 -0.008 0.000 2.926 26 T HA 0.646 4.999 4.350 0.004 0.000 0.289 26 T C 0.673 175.393 174.700 0.034 0.000 1.054 26 T CA -0.225 61.883 62.100 0.014 0.000 1.015 26 T CB 1.719 70.614 68.868 0.046 0.000 1.167 26 T HN 0.644 nan 8.240 nan 0.000 0.526 27 A N 0.933 123.789 122.820 0.060 0.000 1.848 27 A HA -0.167 4.155 4.320 0.004 0.000 0.217 27 A C 2.142 179.856 177.584 0.216 0.000 1.220 27 A CA 2.529 54.633 52.037 0.112 0.000 0.645 27 A CB -1.690 17.394 19.000 0.139 0.000 0.842 27 A HN 1.094 nan 8.150 nan 0.000 0.451 28 E N 0.249 120.607 120.200 0.265 0.000 2.236 28 E HA -0.262 4.090 4.350 0.004 0.000 0.205 28 E C 1.308 178.112 176.600 0.340 0.000 1.028 28 E CA 2.008 58.618 56.400 0.350 0.000 0.827 28 E CB -0.480 29.360 29.700 0.233 0.000 0.735 28 E HN 0.577 nan 8.360 nan 0.000 0.470 29 D N -1.093 119.438 120.400 0.219 0.000 2.348 29 D HA -0.053 4.590 4.640 0.004 0.000 0.216 29 D C 1.725 178.154 176.300 0.215 0.000 0.970 29 D CA 1.070 55.186 54.000 0.194 0.000 0.889 29 D CB -0.097 40.770 40.800 0.112 0.000 0.912 29 D HN 0.374 nan 8.370 nan 0.000 0.524 30 S N -0.835 114.985 115.700 0.199 0.000 2.406 30 S HA -0.158 4.315 4.470 0.004 0.000 0.228 30 S C 1.933 176.607 174.600 0.123 0.000 1.020 30 S CA 0.193 58.515 58.200 0.203 0.000 0.965 30 S CB -0.918 62.385 63.200 0.172 0.000 0.798 30 S HN 0.338 nan 8.310 nan 0.000 0.488 31 W N 2.387 123.844 121.300 0.262 0.000 2.341 31 W HA 0.005 4.668 4.660 0.004 0.000 0.283 31 W C 2.857 179.528 176.519 0.253 0.000 1.215 31 W CA 0.833 58.313 57.345 0.226 0.000 1.211 31 W CB -0.485 29.092 29.460 0.195 0.000 1.131 31 W HN 0.454 nan 8.180 nan 0.000 0.552 32 A N -0.267 122.802 122.820 0.416 0.000 1.873 32 A HA -0.158 4.165 4.320 0.004 0.000 0.215 32 A C 1.998 179.783 177.584 0.335 0.000 1.186 32 A CA 1.942 54.196 52.037 0.362 0.000 0.616 32 A CB -1.133 18.052 19.000 0.308 0.000 0.823 32 A HN 0.068 nan 8.150 nan 0.000 0.442 33 V N 0.437 120.550 119.914 0.332 0.000 2.469 33 V HA -0.292 3.830 4.120 0.004 0.000 0.251 33 V C 2.371 178.625 176.094 0.266 0.000 1.064 33 V CA 2.035 64.553 62.300 0.364 0.000 1.066 33 V CB -0.717 31.381 31.823 0.460 0.000 0.667 33 V HN 0.561 nan 8.190 nan 0.000 0.461 34 I N -0.511 120.137 120.570 0.130 0.000 2.193 34 I HA -0.175 3.997 4.170 0.004 0.000 0.240 34 I C 2.585 178.732 176.117 0.050 0.000 1.084 34 I CA 1.434 62.702 61.300 -0.053 0.000 1.365 34 I CB -0.498 37.427 38.000 -0.125 0.000 1.064 34 I HN 0.248 nan 8.210 nan 0.000 0.410 35 S N 1.148 116.989 115.700 0.235 0.000 2.359 35 S HA -0.257 4.216 4.470 0.004 0.000 0.222 35 S C 2.337 177.112 174.600 0.292 0.000 1.038 35 S CA 1.516 59.954 58.200 0.397 0.000 1.051 35 S CB -0.624 62.891 63.200 0.525 0.000 0.944 35 S HN 0.546 nan 8.310 nan 0.000 0.433 36 A N 1.144 124.136 122.820 0.286 0.000 1.954 36 A HA -0.247 4.075 4.320 0.004 0.000 0.222 36 A C 1.900 179.598 177.584 0.190 0.000 1.199 36 A CA 2.181 54.388 52.037 0.283 0.000 0.657 36 A CB -1.101 18.121 19.000 0.371 0.000 0.823 36 A HN 0.505 nan 8.150 nan 0.000 0.463 37 F N -0.667 119.150 119.950 -0.221 0.000 2.051 37 F HA -0.142 4.387 4.527 0.004 0.000 0.296 37 F C 2.030 177.416 175.800 -0.690 0.000 1.122 37 F CA 2.140 59.568 58.000 -0.954 0.000 1.201 37 F CB -0.483 37.624 39.000 -1.488 0.000 0.978 37 F HN 0.221 nan 8.300 nan 0.000 0.472 38 F N 0.435 120.316 119.950 -0.114 0.000 2.171 38 F HA -0.104 4.426 4.527 0.004 0.000 0.300 38 F C 2.476 178.233 175.800 -0.072 0.000 1.090 38 F CA 1.305 59.243 58.000 -0.103 0.000 1.293 38 F CB -0.696 38.329 39.000 0.042 0.000 1.013 38 F HN -0.183 nan 8.300 nan 0.000 0.486 39 R N 0.126 120.726 120.500 0.168 0.000 2.211 39 R HA -0.216 4.126 4.340 0.004 0.000 0.240 39 R C 1.933 178.250 176.300 0.028 0.000 1.144 39 R CA 1.667 57.843 56.100 0.126 0.000 0.992 39 R CB -0.335 30.055 30.300 0.150 0.000 0.869 39 R HN 0.466 nan 8.270 nan 0.000 0.462 40 E N 0.043 120.193 120.200 -0.084 0.000 2.372 40 E HA -0.015 4.338 4.350 0.004 0.000 0.201 40 E C 1.219 177.685 176.600 -0.223 0.000 0.938 40 E CA 0.103 56.432 56.400 -0.119 0.000 0.944 40 E CB 0.502 30.161 29.700 -0.067 0.000 0.937 40 E HN 0.116 nan 8.360 nan 0.000 0.495 41 K N 0.132 120.277 120.400 -0.426 0.000 2.287 41 K HA 0.248 4.571 4.320 0.004 0.000 0.199 41 K C 0.807 177.292 176.600 -0.193 0.000 1.061 41 K CA 0.596 56.618 56.287 -0.441 0.000 0.976 41 K CB 1.010 32.942 32.500 -0.947 0.000 0.898 41 K HN 0.184 nan 8.250 nan 0.000 0.492 42 G N 1.813 110.586 108.800 -0.044 0.000 2.829 42 G HA2 -0.246 3.716 3.960 0.004 0.000 0.628 42 G HA3 -0.246 3.716 3.960 0.004 0.000 0.628 42 G C 0.113 175.142 174.900 0.216 0.000 1.412 42 G CA -0.515 44.667 45.100 0.136 0.000 0.864 42 G HN 0.169 nan 8.290 nan 0.000 0.544 43 L N -0.130 121.226 121.223 0.223 0.000 2.672 43 L HA 0.323 4.666 4.340 0.004 0.000 0.236 43 L C 1.690 178.613 176.870 0.089 0.000 1.186 43 L CA 0.637 55.602 54.840 0.208 0.000 0.977 43 L CB -0.457 41.685 42.059 0.138 0.000 1.203 43 L HN 1.028 nan 8.230 nan 0.000 0.448 44 V N -5.994 113.946 119.914 0.043 0.000 3.537 44 V HA 0.107 4.230 4.120 0.004 0.000 0.315 44 V C 1.784 177.859 176.094 -0.033 0.000 1.541 44 V CA 0.350 62.650 62.300 -0.002 0.000 1.160 44 V CB 0.156 31.976 31.823 -0.005 0.000 0.998 44 V HN 0.285 nan 8.190 nan 0.000 0.473 45 S N 2.199 117.868 115.700 -0.052 0.000 2.400 45 S HA -0.437 4.036 4.470 0.004 0.000 0.234 45 S C 1.921 176.481 174.600 -0.067 0.000 1.049 45 S CA 2.404 60.556 58.200 -0.079 0.000 1.039 45 S CB -0.863 62.249 63.200 -0.147 0.000 0.856 45 S HN 0.962 nan 8.310 nan 0.000 0.465 46 Q N 0.993 120.748 119.800 -0.075 0.000 2.096 46 Q HA -0.261 4.082 4.340 0.004 0.000 0.208 46 Q C 2.236 178.210 176.000 -0.044 0.000 0.993 46 Q CA 1.708 57.468 55.803 -0.072 0.000 0.862 46 Q CB -0.529 28.162 28.738 -0.078 0.000 0.915 46 Q HN 0.498 nan 8.270 nan 0.000 0.416 47 Q N 0.910 120.682 119.800 -0.047 0.000 1.916 47 Q HA -0.054 4.288 4.340 0.004 0.000 0.203 47 Q C 2.496 178.490 176.000 -0.009 0.000 0.983 47 Q CA 1.587 57.359 55.803 -0.050 0.000 0.846 47 Q CB -0.546 28.135 28.738 -0.095 0.000 0.909 47 Q HN 0.467 nan 8.270 nan 0.000 0.427 48 L N 1.072 122.286 121.223 -0.016 0.000 1.976 48 L HA -0.291 4.052 4.340 0.004 0.000 0.223 48 L C 2.141 179.060 176.870 0.081 0.000 1.081 48 L CA 1.795 56.660 54.840 0.041 0.000 0.784 48 L CB -1.116 40.948 42.059 0.008 0.000 0.896 48 L HN 0.184 nan 8.230 nan 0.000 0.438 49 D N -0.327 120.089 120.400 0.027 0.000 2.170 49 D HA -0.227 4.415 4.640 0.004 0.000 0.193 49 D C 2.349 178.676 176.300 0.045 0.000 1.004 49 D CA 1.778 55.790 54.000 0.018 0.000 0.860 49 D CB -0.246 40.547 40.800 -0.012 0.000 0.931 49 D HN 0.250 nan 8.370 nan 0.000 0.448 50 S N -1.140 114.598 115.700 0.064 0.000 2.343 50 S HA -0.174 4.298 4.470 0.004 0.000 0.219 50 S C 1.824 176.538 174.600 0.191 0.000 1.033 50 S CA 0.735 58.992 58.200 0.095 0.000 1.014 50 S CB -0.584 62.665 63.200 0.081 0.000 0.915 50 S HN 0.207 nan 8.310 nan 0.000 0.435 51 F N 3.675 123.657 119.950 0.053 0.000 2.027 51 F HA -0.174 4.356 4.527 0.005 0.000 0.297 51 F C 2.235 178.122 175.800 0.146 0.000 1.129 51 F CA 2.186 60.258 58.000 0.120 0.000 1.195 51 F CB -1.178 37.878 39.000 0.092 0.000 0.960 51 F HN 0.294 nan 8.300 nan 0.000 0.485 52 N N 0.259 119.005 118.700 0.077 0.000 2.096 52 N HA -0.292 4.451 4.740 0.004 0.000 0.195 52 N C 1.833 177.307 175.510 -0.060 0.000 1.017 52 N CA 1.760 54.771 53.050 -0.064 0.000 0.870 52 N CB -0.702 37.788 38.487 0.005 0.000 1.024 52 N HN 0.412 nan 8.380 nan 0.000 0.434 53 Q N 0.574 120.367 119.800 -0.012 0.000 2.124 53 Q HA -0.088 4.254 4.340 0.004 0.000 0.202 53 Q C 1.777 177.789 176.000 0.020 0.000 0.977 53 Q CA 1.097 56.873 55.803 -0.046 0.000 0.850 53 Q CB -0.586 28.125 28.738 -0.045 0.000 0.901 53 Q HN 0.360 nan 8.270 nan 0.000 0.429 54 F N -0.333 119.544 119.950 -0.121 0.000 1.990 54 F HA -0.190 4.340 4.527 0.004 0.000 0.294 54 F C 2.026 177.675 175.800 -0.251 0.000 1.177 54 F CA 1.677 59.585 58.000 -0.152 0.000 1.167 54 F CB -1.021 37.914 39.000 -0.109 0.000 0.971 54 F HN -0.051 nan 8.300 nan 0.000 0.483 55 V N 1.341 121.013 119.914 -0.404 0.000 2.232 55 V HA -0.472 3.651 4.120 0.004 0.000 0.254 55 V C 2.299 178.162 176.094 -0.384 0.000 1.058 55 V CA 2.484 64.465 62.300 -0.531 0.000 1.048 55 V CB -0.945 30.565 31.823 -0.522 0.000 0.668 55 V HN 0.431 nan 8.190 nan 0.000 0.462 56 D N -1.666 118.626 120.400 -0.180 0.000 2.127 56 D HA -0.190 4.453 4.640 0.004 0.000 0.190 56 D C 1.830 178.086 176.300 -0.073 0.000 1.000 56 D CA 2.368 56.343 54.000 -0.041 0.000 0.839 56 D CB -0.257 40.702 40.800 0.265 0.000 0.955 56 D HN 0.651 nan 8.370 nan 0.000 0.446 57 Y N -0.308 119.847 120.300 -0.243 0.000 2.624 57 Y HA 0.134 4.686 4.550 0.004 0.000 0.260 57 Y C 2.635 178.369 175.900 -0.276 0.000 1.090 57 Y CA 0.460 58.431 58.100 -0.216 0.000 1.347 57 Y CB -0.978 37.401 38.460 -0.135 0.000 1.349 57 Y HN -0.176 nan 8.280 nan 0.000 0.502 58 T N 2.020 116.541 114.554 -0.057 0.000 2.684 58 T HA -0.267 4.086 4.350 0.004 0.000 0.267 58 T C 1.911 176.337 174.700 -0.457 0.000 1.032 58 T CA 2.096 64.094 62.100 -0.169 0.000 1.155 58 T CB -0.701 68.152 68.868 -0.026 0.000 0.857 58 T HN 0.121 nan 8.240 nan 0.000 0.457 59 L N 0.874 121.621 121.223 -0.794 0.000 2.056 59 L HA -0.001 4.342 4.340 0.004 0.000 0.207 59 L C 2.542 179.018 176.870 -0.657 0.000 1.078 59 L CA 1.803 56.013 54.840 -1.050 0.000 0.749 59 L CB -0.922 40.429 42.059 -1.180 0.000 0.901 59 L HN 0.132 nan 8.230 nan 0.000 0.433 60 Q N -0.136 119.388 119.800 -0.459 0.000 2.084 60 Q HA -0.214 4.129 4.340 0.004 0.000 0.202 60 Q C 1.688 177.542 176.000 -0.242 0.000 0.978 60 Q CA 2.260 57.861 55.803 -0.336 0.000 0.844 60 Q CB -0.323 28.234 28.738 -0.303 0.000 0.898 60 Q HN 0.585 nan 8.270 nan 0.000 0.426 61 D N -0.412 119.869 120.400 -0.199 0.000 2.219 61 D HA -0.088 4.555 4.640 0.004 0.000 0.205 61 D C 1.541 177.791 176.300 -0.082 0.000 0.970 61 D CA 1.009 54.944 54.000 -0.109 0.000 0.851 61 D CB -0.039 40.721 40.800 -0.067 0.000 0.943 61 D HN 0.378 nan 8.370 nan 0.000 0.488 62 I N -0.092 120.392 120.570 -0.143 0.000 2.500 62 I HA -0.147 4.025 4.170 0.004 0.000 0.252 62 I C 1.712 177.826 176.117 -0.005 0.000 1.142 62 I CA 0.332 61.611 61.300 -0.035 0.000 1.451 62 I CB 0.052 38.031 38.000 -0.034 0.000 1.093 62 I HN -0.040 nan 8.210 nan 0.000 0.430 63 I N 0.504 120.953 120.570 -0.203 0.000 2.394 63 I HA -0.176 3.996 4.170 0.004 0.000 0.251 63 I C 0.910 177.097 176.117 0.116 0.000 1.136 63 I CA 0.761 61.917 61.300 -0.240 0.000 1.425 63 I CB -0.308 37.493 38.000 -0.331 0.000 1.079 63 I HN 0.216 nan 8.210 nan 0.000 0.425 64 C N 2.120 121.451 119.300 0.052 0.000 2.239 64 C HA 0.522 4.985 4.460 0.004 0.000 0.325 64 C C 0.910 175.948 174.990 0.080 0.000 1.231 64 C CA -0.396 58.672 59.018 0.083 0.000 1.652 64 C CB -1.155 26.604 27.740 0.031 0.000 2.284 64 C HN 0.634 nan 8.230 nan 0.000 0.499 65 E N 1.842 122.100 120.200 0.097 0.000 3.661 65 E HA -0.003 4.349 4.350 0.004 0.000 0.209 65 E C -0.666 175.963 176.600 0.048 0.000 1.288 65 E CA -0.304 56.133 56.400 0.061 0.000 1.349 65 E CB -0.447 29.294 29.700 0.068 0.000 2.591 65 E HN 0.471 nan 8.360 nan 0.000 0.980 66 D N 2.177 122.595 120.400 0.029 0.000 2.587 66 D HA 0.084 4.727 4.640 0.004 0.000 0.233 66 D C 1.064 177.366 176.300 0.002 0.000 1.213 66 D CA 0.571 54.571 54.000 0.000 0.000 0.827 66 D CB 0.753 41.533 40.800 -0.034 0.000 1.006 66 D HN 0.267 nan 8.370 nan 0.000 0.490 67 S N 0.007 115.752 115.700 0.074 0.000 2.355 67 S HA -0.112 4.360 4.470 0.004 0.000 0.222 67 S C 1.192 175.955 174.600 0.272 0.000 1.031 67 S CA 0.560 58.865 58.200 0.174 0.000 0.993 67 S CB -1.018 62.386 63.200 0.339 0.000 0.859 67 S HN 0.221 nan 8.310 nan 0.000 0.453 68 T N 3.061 117.725 114.554 0.183 0.000 2.932 68 T HA 0.445 4.797 4.350 0.004 0.000 0.312 68 T C -0.167 174.579 174.700 0.078 0.000 1.071 68 T CA 0.187 62.358 62.100 0.120 0.000 1.128 68 T CB 0.230 69.145 68.868 0.078 0.000 0.984 68 T HN 0.263 nan 8.240 nan 0.000 0.549 69 L N 2.068 123.339 121.223 0.080 0.000 2.301 69 L HA 0.655 4.997 4.340 0.004 0.000 0.264 69 L C 0.010 176.959 176.870 0.132 0.000 1.016 69 L CA -1.141 53.759 54.840 0.099 0.000 0.821 69 L CB 1.585 43.767 42.059 0.205 0.000 1.346 69 L HN 0.505 nan 8.230 nan 0.000 0.429 91 S N 4.485 120.052 115.700 -0.222 0.000 2.521 91 S HA 0.809 5.282 4.470 0.004 0.000 0.295 91 S C -0.858 173.638 174.600 -0.173 0.000 1.098 91 S CA -0.652 57.483 58.200 -0.107 0.000 0.999 91 S CB 1.647 64.852 63.200 0.008 0.000 1.034 91 S HN 0.253 nan 8.310 nan 0.000 0.483 92 F N 1.794 121.800 119.950 0.095 0.000 2.385 92 F HA 0.722 5.252 4.527 0.004 0.000 0.336 92 F C 1.264 177.106 175.800 0.070 0.000 1.100 92 F CA -0.090 57.974 58.000 0.106 0.000 1.116 92 F CB 1.153 40.256 39.000 0.173 0.000 1.166 92 F HN 0.940 nan 8.300 nan 0.000 0.511 93 G N 1.261 110.198 108.800 0.229 0.000 3.134 93 G HA2 0.260 4.223 3.960 0.004 0.000 0.158 93 G HA3 0.260 4.223 3.960 0.004 0.000 0.158 93 G C -0.736 174.203 174.900 0.065 0.000 1.334 93 G CA -0.807 44.367 45.100 0.123 0.000 1.001 93 G HN 0.514 nan 8.290 nan 0.000 0.600 94 K N -0.243 120.158 120.400 0.002 0.000 2.440 94 K HA 0.250 4.572 4.320 0.004 0.000 0.270 94 K C -0.802 175.664 176.600 -0.222 0.000 0.980 94 K CA 0.041 56.215 56.287 -0.188 0.000 0.953 94 K CB 0.432 32.741 32.500 -0.318 0.000 0.925 94 K HN 0.305 nan 8.250 nan 0.000 0.497 95 I N 3.715 124.042 120.570 -0.405 0.000 2.465 95 I HA 0.288 4.460 4.170 0.004 0.000 0.291 95 I C -1.458 174.404 176.117 -0.425 0.000 1.014 95 I CA -0.873 60.278 61.300 -0.248 0.000 1.093 95 I CB 0.744 38.623 38.000 -0.201 0.000 1.267 95 I HN 0.570 nan 8.210 nan 0.000 0.431 96 Y N 5.351 125.668 120.300 0.028 0.000 2.567 96 Y HA 0.704 5.256 4.550 0.004 0.000 0.333 96 Y C -0.369 175.569 175.900 0.064 0.000 1.106 96 Y CA -1.043 57.073 58.100 0.026 0.000 1.157 96 Y CB 1.696 40.181 38.460 0.041 0.000 1.277 96 Y HN 0.148 nan 8.280 nan 0.000 0.490 97 V N 1.434 121.454 119.914 0.177 0.000 2.524 97 V HA 0.347 4.469 4.120 0.004 0.000 0.297 97 V C -0.257 175.899 176.094 0.103 0.000 1.035 97 V CA -1.050 61.319 62.300 0.115 0.000 0.867 97 V CB 1.225 33.039 31.823 -0.015 0.000 1.004 97 V HN 0.958 nan 8.190 nan 0.000 0.426 98 T N 2.222 116.873 114.554 0.160 0.000 2.771 98 T HA 0.453 4.806 4.350 0.004 0.000 0.290 98 T C 0.033 174.721 174.700 -0.020 0.000 1.005 98 T CA -0.756 61.394 62.100 0.084 0.000 0.944 98 T CB 0.950 69.914 68.868 0.161 0.000 1.147 98 T HN 0.502 nan 8.240 nan 0.000 0.534 99 K N 0.795 121.140 120.400 -0.093 0.000 2.090 99 K HA 0.334 4.657 4.320 0.004 0.000 0.249 99 K C -2.697 173.823 176.600 -0.134 0.000 0.995 99 K CA -2.121 53.987 56.287 -0.298 0.000 0.914 99 K CB 0.252 32.385 32.500 -0.612 0.000 1.057 99 K HN 0.303 nan 8.250 nan 0.000 0.462 100 P HA -0.103 nan 4.420 nan 0.000 0.257 100 P C -0.593 176.729 177.300 0.037 0.000 1.162 100 P CA 1.146 64.158 63.100 -0.145 0.000 0.762 100 P CB 0.312 31.723 31.700 -0.482 0.000 0.753 101 M N 2.056 121.679 119.600 0.039 0.000 2.849 101 M HA 0.564 5.046 4.480 0.004 0.000 0.299 101 M C -0.493 175.849 176.300 0.071 0.000 1.223 101 M CA -1.046 54.295 55.300 0.069 0.000 0.856 101 M CB 1.673 34.335 32.600 0.103 0.000 1.680 101 M HN -0.140 nan 8.290 nan 0.000 0.506 102 V N 1.524 121.491 119.914 0.089 0.000 2.568 102 V HA 0.200 4.323 4.120 0.004 0.000 0.276 102 V C -1.075 175.071 176.094 0.086 0.000 1.002 102 V CA -0.802 61.558 62.300 0.100 0.000 0.879 102 V CB 1.114 33.024 31.823 0.144 0.000 1.040 102 V HN 0.854 nan 8.190 nan 0.000 0.457 103 N N 4.119 122.850 118.700 0.052 0.000 2.406 103 N HA 0.362 5.104 4.740 0.004 0.000 0.251 103 N C -0.222 175.305 175.510 0.028 0.000 1.069 103 N CA -0.199 52.865 53.050 0.023 0.000 0.947 103 N CB 0.716 39.193 38.487 -0.017 0.000 1.111 103 N HN 0.853 nan 8.380 nan 0.000 0.497 104 E N 1.125 121.342 120.200 0.029 0.000 2.293 104 E HA 0.394 4.747 4.350 0.004 0.000 0.270 104 E C -0.931 175.679 176.600 0.017 0.000 0.879 104 E CA -1.130 55.284 56.400 0.025 0.000 0.756 104 E CB 0.975 30.693 29.700 0.030 0.000 1.208 104 E HN 0.480 nan 8.360 nan 0.000 0.428 105 S N 2.256 117.967 115.700 0.018 0.000 2.560 105 S HA 0.071 4.543 4.470 0.004 0.000 0.284 105 S C 0.007 174.616 174.600 0.015 0.000 1.327 105 S CA -0.310 57.901 58.200 0.018 0.000 1.055 105 S CB 0.070 63.285 63.200 0.025 0.000 0.868 105 S HN 0.698 nan 8.310 nan 0.000 0.506 106 D N 0.806 121.213 120.400 0.012 0.000 2.872 106 D HA -0.031 4.612 4.640 0.004 0.000 0.248 106 D C 0.262 176.564 176.300 0.003 0.000 1.104 106 D CA 1.771 55.776 54.000 0.008 0.000 0.784 106 D CB -1.530 39.277 40.800 0.011 0.000 1.036 106 D HN 1.303 nan 8.370 nan 0.000 0.426 107 G N -2.375 106.427 108.800 0.002 0.000 2.337 107 G HA2 0.343 4.305 3.960 0.004 0.000 0.298 107 G HA3 0.343 4.305 3.960 0.004 0.000 0.298 107 G C -0.164 174.739 174.900 0.005 0.000 1.335 107 G CA -0.327 44.772 45.100 -0.002 0.000 0.875 107 G HN 0.275 nan 8.290 nan 0.000 0.579 108 V N -0.560 119.357 119.914 0.005 0.000 3.766 108 V HA 0.529 4.652 4.120 0.004 0.000 0.286 108 V C 1.202 177.323 176.094 0.044 0.000 1.055 108 V CA 0.123 62.436 62.300 0.022 0.000 1.060 108 V CB 1.209 33.048 31.823 0.027 0.000 1.210 108 V HN 0.837 nan 8.190 nan 0.000 0.457 109 T N 0.090 114.682 114.554 0.063 0.000 2.795 109 T HA 0.428 4.781 4.350 0.004 0.000 0.282 109 T C -0.776 174.020 174.700 0.160 0.000 0.980 109 T CA 0.022 62.174 62.100 0.087 0.000 1.012 109 T CB 0.244 69.147 68.868 0.058 0.000 0.936 109 T HN 0.753 nan 8.240 nan 0.000 0.457 110 H N 1.631 120.726 119.070 0.043 0.000 2.573 110 H HA 0.680 5.239 4.556 0.004 0.000 0.351 110 H C -0.340 175.030 175.328 0.069 0.000 1.163 110 H CA -0.836 55.244 56.048 0.054 0.000 1.205 110 H CB 1.202 30.995 29.762 0.052 0.000 1.605 110 H HN 0.700 nan 8.280 nan 0.000 0.525 111 A N 4.285 126.828 122.820 -0.462 0.000 2.395 111 A HA 0.333 4.655 4.320 0.004 0.000 0.286 111 A C -0.720 176.594 177.584 -0.450 0.000 1.193 111 A CA -0.344 51.477 52.037 -0.360 0.000 0.852 111 A CB -0.758 18.078 19.000 -0.274 0.000 1.118 111 A HN 0.540 nan 8.150 nan 0.000 0.524 112 L N 3.855 124.947 121.223 -0.219 0.000 2.292 112 L HA 0.592 4.934 4.340 0.004 0.000 0.284 112 L C -0.959 175.871 176.870 -0.066 0.000 1.065 112 L CA -0.022 54.794 54.840 -0.040 0.000 0.806 112 L CB 0.360 42.477 42.059 0.096 0.000 1.175 112 L HN 0.614 nan 8.230 nan 0.000 0.431 113 Y N 5.559 125.880 120.300 0.036 0.000 2.528 113 Y HA 0.464 5.016 4.550 0.004 0.000 0.335 113 Y C -1.479 174.471 175.900 0.083 0.000 1.093 113 Y CA -1.786 56.365 58.100 0.085 0.000 1.134 113 Y CB 0.787 39.202 38.460 -0.076 0.000 1.253 113 Y HN 0.530 nan 8.280 nan 0.000 0.478 114 P HA -0.238 nan 4.420 nan 0.000 0.215 114 P C 1.081 178.359 177.300 -0.038 0.000 1.153 114 P CA 1.639 64.582 63.100 -0.262 0.000 0.853 114 P CB 0.568 32.053 31.700 -0.358 0.000 0.788 115 Q N 0.813 120.634 119.800 0.034 0.000 1.967 115 Q HA -0.188 4.155 4.340 0.004 0.000 0.202 115 Q C 2.418 178.449 176.000 0.051 0.000 0.985 115 Q CA 2.008 57.830 55.803 0.032 0.000 0.839 115 Q CB -1.201 27.546 28.738 0.016 0.000 0.906 115 Q HN 0.269 nan 8.270 nan 0.000 0.423 116 E N -0.850 119.397 120.200 0.078 0.000 2.086 116 E HA -0.292 4.061 4.350 0.004 0.000 0.200 116 E C 1.753 178.404 176.600 0.085 0.000 1.012 116 E CA 1.391 57.843 56.400 0.087 0.000 0.812 116 E CB -0.324 29.451 29.700 0.124 0.000 0.743 116 E HN 0.420 nan 8.360 nan 0.000 0.453 117 A N 1.106 123.992 122.820 0.109 0.000 1.884 117 A HA -0.271 4.051 4.320 0.004 0.000 0.219 117 A C 2.186 179.809 177.584 0.065 0.000 1.197 117 A CA 2.015 54.116 52.037 0.106 0.000 0.637 117 A CB -0.655 18.438 19.000 0.154 0.000 0.827 117 A HN 0.233 nan 8.150 nan 0.000 0.450 118 R N -0.913 119.619 120.500 0.054 0.000 2.081 118 R HA -0.009 4.334 4.340 0.004 0.000 0.235 118 R C 2.156 178.496 176.300 0.066 0.000 1.131 118 R CA 1.384 57.518 56.100 0.056 0.000 0.960 118 R CB -0.439 29.891 30.300 0.050 0.000 0.856 118 R HN 0.536 nan 8.270 nan 0.000 0.436 119 L N 0.062 121.324 121.223 0.065 0.000 2.072 119 L HA -0.124 4.218 4.340 0.004 0.000 0.205 119 L C 1.898 178.836 176.870 0.114 0.000 1.079 119 L CA 1.358 56.252 54.840 0.090 0.000 0.752 119 L CB -0.146 41.956 42.059 0.072 0.000 0.906 119 L HN 0.123 nan 8.230 nan 0.000 0.436 120 R N 0.150 120.668 120.500 0.030 0.000 2.334 120 R HA 0.117 4.460 4.340 0.004 0.000 0.220 120 R C -0.088 176.027 176.300 -0.309 0.000 0.917 120 R CA -0.039 55.991 56.100 -0.117 0.000 1.073 120 R CB -0.193 30.067 30.300 -0.067 0.000 1.056 120 R HN 0.385 nan 8.270 nan 0.000 0.506 121 N N 1.159 119.775 118.700 -0.140 0.000 2.740 121 N HA -0.183 4.559 4.740 0.004 0.000 0.248 121 N C -0.630 174.821 175.510 -0.098 0.000 1.062 121 N CA 0.249 53.225 53.050 -0.123 0.000 0.704 121 N CB -1.097 37.245 38.487 -0.243 0.000 0.968 121 N HN 0.243 nan 8.380 nan 0.000 0.547 122 L N 0.013 121.218 121.223 -0.030 0.000 2.431 122 L HA 0.414 4.756 4.340 0.004 0.000 0.260 122 L C 0.950 177.865 176.870 0.075 0.000 1.098 122 L CA -0.410 54.441 54.840 0.017 0.000 0.800 122 L CB 1.066 43.156 42.059 0.052 0.000 1.210 122 L HN -0.068 nan 8.230 nan 0.000 0.465 123 T N 0.024 114.635 114.554 0.095 0.000 2.853 123 T HA 0.149 4.501 4.350 0.004 0.000 0.317 123 T C -0.354 174.464 174.700 0.196 0.000 1.059 123 T CA -0.226 61.952 62.100 0.130 0.000 0.954 123 T CB -0.303 68.617 68.868 0.087 0.000 0.994 123 T HN 0.241 nan 8.240 nan 0.000 0.479 124 Y N 4.983 125.333 120.300 0.085 0.000 2.735 124 Y HA 0.140 4.693 4.550 0.004 0.000 0.367 124 Y C 0.773 176.741 175.900 0.113 0.000 1.333 124 Y CA -0.160 57.999 58.100 0.098 0.000 1.861 124 Y CB -0.848 37.669 38.460 0.094 0.000 1.457 124 Y HN 0.602 nan 8.280 nan 0.000 0.457 125 S N 1.952 117.667 115.700 0.024 0.000 2.671 125 S HA 0.914 5.387 4.470 0.004 0.000 0.299 125 S C -0.451 174.121 174.600 -0.047 0.000 1.116 125 S CA -0.513 57.693 58.200 0.010 0.000 0.912 125 S CB 1.790 65.028 63.200 0.064 0.000 1.130 125 S HN 0.518 nan 8.310 nan 0.000 0.501 126 S N -0.245 115.456 115.700 0.002 0.000 2.671 126 S HA 0.827 5.300 4.470 0.004 0.000 0.299 126 S C 0.249 174.909 174.600 0.100 0.000 1.116 126 S CA -0.703 57.509 58.200 0.021 0.000 0.912 126 S CB 0.707 63.885 63.200 -0.035 0.000 1.130 126 S HN 1.399 nan 8.310 nan 0.000 0.501 127 G N 0.214 109.126 108.800 0.186 0.000 2.299 127 G HA2 0.430 4.393 3.960 0.004 0.000 0.256 127 G HA3 0.430 4.393 3.960 0.004 0.000 0.256 127 G C -0.864 174.135 174.900 0.165 0.000 1.259 127 G CA -0.211 45.064 45.100 0.291 0.000 0.943 127 G HN 0.542 nan 8.290 nan 0.000 0.479 128 L N 4.059 125.180 121.223 -0.170 0.000 2.371 128 L HA 0.508 4.851 4.340 0.004 0.000 0.262 128 L C -0.925 175.738 176.870 -0.346 0.000 1.054 128 L CA -1.027 53.703 54.840 -0.183 0.000 0.924 128 L CB -0.085 41.852 42.059 -0.205 0.000 1.295 128 L HN 0.350 nan 8.230 nan 0.000 0.441 129 F N 2.694 122.694 119.950 0.084 0.000 2.404 129 F HA 0.593 5.123 4.527 0.004 0.000 0.339 129 F C 0.522 176.440 175.800 0.198 0.000 1.105 129 F CA -0.574 57.514 58.000 0.146 0.000 1.087 129 F CB 1.263 40.366 39.000 0.172 0.000 1.143 129 F HN 0.007 nan 8.300 nan 0.000 0.491 130 V N 1.243 121.354 119.914 0.328 0.000 3.093 130 V HA 0.335 4.458 4.120 0.004 0.000 0.320 130 V C -0.632 175.667 176.094 0.342 0.000 1.093 130 V CA -0.874 61.606 62.300 0.301 0.000 1.016 130 V CB 2.041 34.045 31.823 0.301 0.000 1.096 130 V HN 0.636 nan 8.190 nan 0.000 0.452 131 D N 1.274 121.856 120.400 0.304 0.000 2.432 131 D HA 0.360 5.003 4.640 0.004 0.000 0.265 131 D C -0.960 175.441 176.300 0.169 0.000 1.160 131 D CA -0.010 54.137 54.000 0.244 0.000 0.911 131 D CB 1.562 42.514 40.800 0.254 0.000 1.052 131 D HN 0.238 nan 8.370 nan 0.000 0.508 132 V N 3.185 123.166 119.914 0.111 0.000 2.607 132 V HA 0.301 4.423 4.120 0.004 0.000 0.289 132 V C 0.447 176.514 176.094 -0.044 0.000 1.053 132 V CA -0.372 61.904 62.300 -0.040 0.000 0.996 132 V CB 1.585 33.336 31.823 -0.120 0.000 0.995 132 V HN 0.251 nan 8.190 nan 0.000 0.476 133 K N 4.494 124.839 120.400 -0.092 0.000 2.221 133 K HA 0.623 4.946 4.320 0.004 0.000 0.258 133 K C -0.508 176.049 176.600 -0.072 0.000 0.944 133 K CA -0.844 55.412 56.287 -0.052 0.000 0.823 133 K CB 1.993 34.477 32.500 -0.027 0.000 1.113 133 K HN 0.775 nan 8.250 nan 0.000 0.431 165 V N 3.379 123.470 119.914 0.295 0.000 2.427 165 V HA 0.391 4.513 4.120 0.004 0.000 0.286 165 V C -0.244 176.035 176.094 0.308 0.000 1.034 165 V CA -0.647 61.827 62.300 0.290 0.000 0.893 165 V CB 0.996 32.942 31.823 0.206 0.000 0.982 165 V HN 0.278 nan 8.190 nan 0.000 0.452 166 F N 5.813 125.799 119.950 0.060 0.000 2.399 166 F HA 0.625 5.155 4.527 0.004 0.000 0.342 166 F C -0.028 175.680 175.800 -0.153 0.000 1.106 166 F CA -0.520 57.325 58.000 -0.259 0.000 1.196 166 F CB 0.496 39.348 39.000 -0.246 0.000 1.163 166 F HN 0.319 nan 8.300 nan 0.000 0.547 167 I N 5.989 125.845 120.570 -1.189 0.000 2.563 167 I HA 0.300 4.472 4.170 0.004 0.000 0.281 167 I C 0.321 175.812 176.117 -1.043 0.000 1.110 167 I CA -0.477 60.339 61.300 -0.807 0.000 1.073 167 I CB 0.983 38.781 38.000 -0.337 0.000 1.215 167 I HN 0.951 nan 8.210 nan 0.000 0.460 168 G N 6.281 114.508 108.800 -0.955 0.000 2.649 168 G HA2 -0.254 3.708 3.960 0.004 0.000 0.413 168 G HA3 -0.254 3.708 3.960 0.004 0.000 0.413 168 G C -0.278 174.372 174.900 -0.418 0.000 1.335 168 G CA -0.217 44.578 45.100 -0.508 0.000 0.917 168 G HN 0.672 nan 8.290 nan 0.000 0.552 169 R N -1.354 119.088 120.500 -0.096 0.000 2.621 169 R HA 0.540 4.883 4.340 0.004 0.000 0.292 169 R C -0.863 175.459 176.300 0.037 0.000 0.969 169 R CA -1.001 55.104 56.100 0.008 0.000 0.887 169 R CB 1.925 32.282 30.300 0.095 0.000 1.180 169 R HN 0.521 nan 8.270 nan 0.000 0.450 170 L N 4.806 126.076 121.223 0.077 0.000 2.264 170 L HA 0.425 4.768 4.340 0.004 0.000 0.287 170 L C -2.359 174.604 176.870 0.155 0.000 1.039 170 L CA -2.103 52.824 54.840 0.145 0.000 0.829 170 L CB 0.917 43.096 42.059 0.201 0.000 1.211 170 L HN 0.429 nan 8.230 nan 0.000 0.427 171 P HA 0.005 nan 4.420 nan 0.000 0.261 171 P C -0.337 177.132 177.300 0.282 0.000 1.183 171 P CA 0.506 63.671 63.100 0.108 0.000 0.761 171 P CB 0.415 32.076 31.700 -0.064 0.000 0.785 172 I N 4.278 125.054 120.570 0.344 0.000 2.395 172 I HA 0.221 4.394 4.170 0.004 0.000 0.289 172 I C 1.338 177.607 176.117 0.253 0.000 1.023 172 I CA -0.790 60.758 61.300 0.413 0.000 1.350 172 I CB 0.961 39.093 38.000 0.220 0.000 1.409 172 I HN 0.279 nan 8.210 nan 0.000 0.507 173 M N 6.877 126.248 119.600 -0.381 0.000 2.227 173 M HA 0.102 4.585 4.480 0.004 0.000 0.349 173 M C -0.399 175.693 176.300 -0.347 0.000 1.443 173 M CA -0.645 54.123 55.300 -0.887 0.000 1.110 173 M CB 0.459 32.243 32.600 -1.360 0.000 1.773 173 M HN 0.385 nan 8.290 nan 0.000 0.463 174 L N 6.269 127.220 121.223 -0.454 0.000 2.717 174 L HA -0.035 4.308 4.340 0.004 0.000 0.281 174 L C 0.537 177.254 176.870 -0.255 0.000 1.329 174 L CA 1.313 55.930 54.840 -0.371 0.000 1.202 174 L CB -1.313 40.283 42.059 -0.770 0.000 1.425 174 L HN 0.970 nan 8.230 nan 0.000 0.438 175 R N -0.877 119.573 120.500 -0.084 0.000 1.754 175 R HA -0.081 4.262 4.340 0.004 0.000 0.418 175 R C 0.180 176.486 176.300 0.011 0.000 0.302 175 R CA 0.742 56.818 56.100 -0.040 0.000 1.361 175 R CB -1.244 29.012 30.300 -0.072 0.000 1.923 175 R HN 0.587 nan 8.270 nan 0.000 0.271 176 S N -0.279 115.461 115.700 0.067 0.000 2.634 176 S HA 0.272 4.745 4.470 0.004 0.000 0.261 176 S C 1.083 175.734 174.600 0.085 0.000 1.271 176 S CA -0.587 57.704 58.200 0.151 0.000 0.985 176 S CB 1.196 64.657 63.200 0.434 0.000 0.968 176 S HN 0.248 nan 8.310 nan 0.000 0.568 177 K N 0.655 121.088 120.400 0.056 0.000 2.228 177 K HA -0.205 4.118 4.320 0.004 0.000 0.205 177 K C 1.495 178.077 176.600 -0.030 0.000 1.045 177 K CA 1.919 58.208 56.287 0.003 0.000 0.931 177 K CB -0.449 32.041 32.500 -0.017 0.000 0.727 177 K HN 0.516 nan 8.250 nan 0.000 0.458 178 N N 0.421 119.109 118.700 -0.019 0.000 2.197 178 N HA -0.068 4.675 4.740 0.004 0.000 0.184 178 N C 0.501 175.891 175.510 -0.201 0.000 1.030 178 N CA 0.419 53.405 53.050 -0.106 0.000 0.851 178 N CB -0.310 38.143 38.487 -0.057 0.000 1.003 178 N HN 0.141 nan 8.380 nan 0.000 0.430 179 C N 1.772 121.045 119.300 -0.044 0.000 2.334 179 C HA -0.132 4.331 4.460 0.004 0.000 0.395 179 C C 1.393 176.374 174.990 -0.015 0.000 1.507 179 C CA -0.413 58.637 59.018 0.053 0.000 1.494 179 C CB -1.366 26.489 27.740 0.192 0.000 2.509 179 C HN 0.485 nan 8.230 nan 0.000 0.599 180 Y N 3.727 124.043 120.300 0.026 0.000 2.384 180 Y HA -0.092 4.460 4.550 0.004 0.000 0.289 180 Y C 2.009 177.932 175.900 0.038 0.000 1.152 180 Y CA 1.272 59.364 58.100 -0.014 0.000 1.258 180 Y CB -0.630 37.748 38.460 -0.136 0.000 0.979 180 Y HN 0.656 nan 8.280 nan 0.000 0.549 181 L N -0.393 120.954 121.223 0.207 0.000 2.141 181 L HA -0.212 4.130 4.340 0.004 0.000 0.209 181 L C 2.585 179.495 176.870 0.068 0.000 1.094 181 L CA 1.300 56.213 54.840 0.121 0.000 0.763 181 L CB -0.853 41.249 42.059 0.071 0.000 0.908 181 L HN 0.331 nan 8.230 nan 0.000 0.437 182 S N 0.260 115.991 115.700 0.052 0.000 2.400 182 S HA -0.289 4.184 4.470 0.004 0.000 0.234 182 S C 1.623 176.239 174.600 0.028 0.000 1.049 182 S CA 1.979 60.195 58.200 0.027 0.000 1.039 182 S CB -0.389 62.820 63.200 0.016 0.000 0.856 182 S HN 0.597 nan 8.310 nan 0.000 0.465 183 E N 1.491 121.716 120.200 0.041 0.000 2.340 183 E HA 0.489 4.842 4.350 0.004 0.000 0.198 183 E C 0.920 177.549 176.600 0.049 0.000 0.961 183 E CA 0.228 56.653 56.400 0.040 0.000 0.905 183 E CB -0.066 29.659 29.700 0.042 0.000 0.884 183 E HN 0.643 nan 8.360 nan 0.000 0.491 184 A N 2.170 125.031 122.820 0.069 0.000 2.609 184 A HA 0.042 4.365 4.320 0.004 0.000 0.232 184 A C 0.803 178.409 177.584 0.036 0.000 1.041 184 A CA 0.798 52.876 52.037 0.069 0.000 0.753 184 A CB -0.214 18.837 19.000 0.085 0.000 0.966 184 A HN 0.241 nan 8.150 nan 0.000 0.510 185 T N -0.423 114.152 114.554 0.034 0.000 2.852 185 T HA 0.360 4.712 4.350 0.004 0.000 0.281 185 T C 1.009 175.715 174.700 0.010 0.000 0.993 185 T CA 0.460 62.572 62.100 0.020 0.000 0.933 185 T CB 0.843 69.727 68.868 0.027 0.000 1.187 185 T HN 0.709 nan 8.240 nan 0.000 0.559 186 E N 0.140 120.347 120.200 0.011 0.000 2.001 186 E HA -0.163 4.189 4.350 0.004 0.000 0.195 186 E C 2.393 179.069 176.600 0.127 0.000 1.002 186 E CA 1.748 58.160 56.400 0.020 0.000 0.819 186 E CB -0.370 29.360 29.700 0.049 0.000 0.769 186 E HN 0.814 nan 8.360 nan 0.000 0.454 187 S N 0.799 116.585 115.700 0.144 0.000 2.407 187 S HA -0.248 4.225 4.470 0.004 0.000 0.235 187 S C 1.571 176.250 174.600 0.132 0.000 1.036 187 S CA 1.726 60.020 58.200 0.157 0.000 1.013 187 S CB -0.415 62.825 63.200 0.068 0.000 0.820 187 S HN 0.257 nan 8.310 nan 0.000 0.476 188 D N 1.548 121.996 120.400 0.081 0.000 2.123 188 D HA 0.070 4.713 4.640 0.004 0.000 0.200 188 D C 2.049 178.377 176.300 0.046 0.000 0.976 188 D CA 0.940 54.975 54.000 0.059 0.000 0.831 188 D CB -0.282 40.552 40.800 0.057 0.000 0.974 188 D HN 0.394 nan 8.370 nan 0.000 0.469 189 L N -0.097 121.130 121.223 0.006 0.000 1.976 189 L HA -0.223 4.120 4.340 0.004 0.000 0.209 189 L C 2.523 179.350 176.870 -0.072 0.000 1.071 189 L CA 1.242 56.040 54.840 -0.070 0.000 0.746 189 L CB -0.814 41.128 42.059 -0.195 0.000 0.890 189 L HN 0.077 nan 8.230 nan 0.000 0.432 190 Y N 0.658 120.942 120.300 -0.025 0.000 2.030 190 Y HA -0.366 4.187 4.550 0.004 0.000 0.272 190 Y C 2.722 178.595 175.900 -0.046 0.000 1.185 190 Y CA 1.738 59.816 58.100 -0.036 0.000 1.120 190 Y CB -0.435 38.002 38.460 -0.039 0.000 0.955 190 Y HN 0.073 nan 8.280 nan 0.000 0.495 191 K N 0.031 120.506 120.400 0.125 0.000 2.228 191 K HA -0.200 4.123 4.320 0.004 0.000 0.205 191 K C 1.589 178.167 176.600 -0.037 0.000 1.045 191 K CA 1.465 57.768 56.287 0.026 0.000 0.931 191 K CB -0.413 32.091 32.500 0.007 0.000 0.727 191 K HN 0.387 nan 8.250 nan 0.000 0.458 192 L N 0.520 121.721 121.223 -0.036 0.000 2.591 192 L HA 0.049 4.392 4.340 0.004 0.000 0.228 192 L C 0.145 176.983 176.870 -0.052 0.000 1.133 192 L CA 0.151 54.942 54.840 -0.082 0.000 0.880 192 L CB -0.137 41.920 42.059 -0.004 0.000 1.033 192 L HN 0.142 nan 8.230 nan 0.000 0.450 193 K N 0.152 120.534 120.400 -0.030 0.000 3.192 193 K HA -0.152 4.171 4.320 0.004 0.000 0.278 193 K C -0.162 176.415 176.600 -0.038 0.000 1.164 193 K CA 0.493 56.763 56.287 -0.028 0.000 0.816 193 K CB -1.188 31.289 32.500 -0.038 0.000 1.256 193 K HN 0.196 nan 8.250 nan 0.000 0.497 194 E N 1.027 121.193 120.200 -0.055 0.000 2.155 194 E HA 0.132 4.485 4.350 0.004 0.000 0.264 194 E C -0.476 176.044 176.600 -0.133 0.000 0.886 194 E CA -0.555 55.809 56.400 -0.059 0.000 0.752 194 E CB 1.537 31.221 29.700 -0.027 0.000 1.133 194 E HN 0.303 nan 8.360 nan 0.000 0.414 195 C N 6.680 125.914 119.300 -0.109 0.000 2.538 195 C HA 0.078 4.540 4.460 0.004 0.000 0.408 195 C C -0.775 174.112 174.990 -0.171 0.000 1.421 195 C CA -1.046 57.885 59.018 -0.145 0.000 1.642 195 C CB 0.047 27.764 27.740 -0.038 0.000 2.553 195 C HN 0.567 nan 8.230 nan 0.000 0.604 196 P HA -0.020 nan 4.420 nan 0.000 0.242 196 P C 0.850 177.954 177.300 -0.326 0.000 1.197 196 P CA 1.323 64.205 63.100 -0.364 0.000 0.765 196 P CB -0.062 31.315 31.700 -0.537 0.000 0.936 197 F N 0.118 119.977 119.950 -0.150 0.000 2.656 197 F HA 0.148 4.677 4.527 0.005 0.000 0.291 197 F C 1.154 176.997 175.800 0.071 0.000 1.122 197 F CA -0.207 57.724 58.000 -0.117 0.000 1.427 197 F CB -0.450 38.356 39.000 -0.323 0.000 1.125 197 F HN -0.145 nan 8.300 nan 0.000 0.583 198 D N 1.004 121.538 120.400 0.222 0.000 2.525 198 D HA -0.066 4.576 4.640 0.004 0.000 0.235 198 D C 1.312 177.734 176.300 0.203 0.000 1.137 198 D CA 0.328 54.471 54.000 0.238 0.000 0.868 198 D CB 0.643 41.536 40.800 0.154 0.000 1.180 198 D HN 0.046 nan 8.370 nan 0.000 0.465 199 M N 2.023 121.757 119.600 0.223 0.000 2.461 199 M HA 0.264 4.746 4.480 0.004 0.000 0.255 199 M C 0.801 177.164 176.300 0.104 0.000 1.137 199 M CA 0.364 55.752 55.300 0.147 0.000 1.086 199 M CB -1.153 31.523 32.600 0.127 0.000 1.356 199 M HN 0.333 nan 8.290 nan 0.000 0.487 200 G N 1.485 110.411 108.800 0.209 0.000 2.704 200 G HA2 0.002 3.965 3.960 0.004 0.000 0.338 200 G HA3 0.002 3.965 3.960 0.004 0.000 0.338 200 G C 0.498 175.332 174.900 -0.110 0.000 0.073 200 G CA 0.383 45.553 45.100 0.116 0.000 1.219 200 G HN 1.046 nan 8.290 nan 0.000 0.578 201 G N 2.185 110.952 108.800 -0.055 0.000 4.765 201 G HA2 0.570 4.533 3.960 0.004 0.000 0.276 201 G HA3 0.570 4.533 3.960 0.004 0.000 0.276 201 G C 0.082 174.782 174.900 -0.333 0.000 0.986 201 G CA 0.362 45.337 45.100 -0.207 0.000 0.755 201 G HN 1.255 nan 8.290 nan 0.000 0.391 202 Y N -1.415 118.629 120.300 -0.426 0.000 2.675 202 Y HA 0.865 5.418 4.550 0.004 0.000 0.328 202 Y C -0.552 174.958 175.900 -0.650 0.000 1.092 202 Y CA -2.219 55.587 58.100 -0.490 0.000 1.190 202 Y CB 1.056 39.379 38.460 -0.229 0.000 1.350 202 Y HN -0.132 nan 8.280 nan 0.000 0.525 203 F N 0.035 119.987 119.950 0.003 0.000 2.572 203 F HA 0.622 5.152 4.527 0.004 0.000 0.342 203 F C -0.274 175.572 175.800 0.076 0.000 1.064 203 F CA -1.133 56.839 58.000 -0.045 0.000 1.008 203 F CB 1.601 40.584 39.000 -0.028 0.000 1.303 203 F HN 0.257 nan 8.300 nan 0.000 0.492 204 I N 2.992 123.732 120.570 0.283 0.000 2.595 204 I HA 0.269 4.442 4.170 0.004 0.000 0.275 204 I C -1.343 174.889 176.117 0.191 0.000 1.092 204 I CA -0.275 61.146 61.300 0.201 0.000 1.145 204 I CB 0.707 38.768 38.000 0.101 0.000 1.276 204 I HN 0.268 nan 8.210 nan 0.000 0.497 205 I N 5.870 126.535 120.570 0.158 0.000 2.321 205 I HA 0.315 4.487 4.170 0.004 0.000 0.291 205 I C 0.715 176.879 176.117 0.078 0.000 0.998 205 I CA -0.025 61.338 61.300 0.105 0.000 1.227 205 I CB 0.578 38.622 38.000 0.073 0.000 1.368 205 I HN 0.418 nan 8.210 nan 0.000 0.466 206 N N 5.175 123.911 118.700 0.061 0.000 2.714 206 N HA -0.222 4.521 4.740 0.004 0.000 0.250 206 N C 1.116 176.651 175.510 0.043 0.000 1.117 206 N CA 1.238 54.309 53.050 0.036 0.000 0.719 206 N CB -1.199 37.311 38.487 0.039 0.000 1.081 206 N HN 1.141 nan 8.380 nan 0.000 0.557 207 G N -1.447 107.389 108.800 0.059 0.000 2.234 207 G HA2 -0.325 3.637 3.960 0.004 0.000 0.260 207 G HA3 -0.325 3.637 3.960 0.004 0.000 0.260 207 G C 0.053 174.999 174.900 0.076 0.000 0.987 207 G CA 0.913 46.052 45.100 0.066 0.000 0.625 207 G HN 1.434 nan 8.290 nan 0.000 0.532 208 S N 0.393 116.139 115.700 0.078 0.000 2.438 208 S HA 0.594 5.067 4.470 0.004 0.000 0.293 208 S C -0.050 174.608 174.600 0.096 0.000 1.141 208 S CA -0.313 57.928 58.200 0.068 0.000 1.080 208 S CB 1.479 64.713 63.200 0.056 0.000 0.978 208 S HN 0.377 nan 8.310 nan 0.000 0.479 209 E N 3.615 123.863 120.200 0.080 0.000 2.238 209 E HA 0.110 4.463 4.350 0.004 0.000 0.264 209 E C -0.138 176.520 176.600 0.096 0.000 1.136 209 E CA -0.050 56.430 56.400 0.132 0.000 0.929 209 E CB 0.390 30.052 29.700 -0.063 0.000 1.010 209 E HN 0.471 nan 8.360 nan 0.000 0.440 210 K N 2.301 122.815 120.400 0.190 0.000 2.182 210 K HA 0.437 4.760 4.320 0.004 0.000 0.262 210 K C -0.444 176.261 176.600 0.177 0.000 0.957 210 K CA -0.846 55.533 56.287 0.154 0.000 0.842 210 K CB 2.046 34.650 32.500 0.174 0.000 1.099 210 K HN 0.149 nan 8.250 nan 0.000 0.438 211 V N 3.317 123.252 119.914 0.034 0.000 2.581 211 V HA 0.364 4.486 4.120 0.004 0.000 0.303 211 V C 0.104 176.171 176.094 -0.046 0.000 1.041 211 V CA -0.994 61.267 62.300 -0.066 0.000 0.907 211 V CB 1.732 33.341 31.823 -0.357 0.000 0.994 211 V HN 0.552 nan 8.190 nan 0.000 0.442 212 L N 5.266 126.480 121.223 -0.015 0.000 2.259 212 L HA 0.395 4.737 4.340 0.004 0.000 0.288 212 L C -0.298 176.500 176.870 -0.120 0.000 1.051 212 L CA -0.529 54.291 54.840 -0.034 0.000 0.824 212 L CB 0.830 42.929 42.059 0.068 0.000 1.206 212 L HN 0.442 nan 8.230 nan 0.000 0.429 213 I N 3.651 124.134 120.570 -0.145 0.000 2.578 213 I HA 0.025 4.197 4.170 0.004 0.000 0.286 213 I C 1.137 177.177 176.117 -0.128 0.000 1.126 213 I CA 0.093 61.319 61.300 -0.123 0.000 1.380 213 I CB 0.531 38.482 38.000 -0.082 0.000 1.408 213 I HN 0.579 nan 8.210 nan 0.000 0.532 214 A N 8.517 131.279 122.820 -0.097 0.000 2.584 214 A HA 0.010 4.333 4.320 0.004 0.000 0.239 214 A C 0.451 177.982 177.584 -0.089 0.000 1.043 214 A CA 0.005 51.989 52.037 -0.088 0.000 0.756 214 A CB -0.049 18.916 19.000 -0.058 0.000 0.963 214 A HN 0.667 nan 8.150 nan 0.000 0.511 215 Q N 1.654 121.390 119.800 -0.106 0.000 2.347 215 Q HA 0.257 4.599 4.340 0.004 0.000 0.262 215 Q C -0.379 175.582 176.000 -0.066 0.000 0.980 215 Q CA -0.149 55.596 55.803 -0.096 0.000 0.867 215 Q CB 1.711 30.366 28.738 -0.140 0.000 1.242 215 Q HN 0.866 nan 8.270 nan 0.000 0.453 216 E N 3.382 123.560 120.200 -0.037 0.000 2.200 216 E HA 0.353 4.706 4.350 0.004 0.000 0.283 216 E C -0.605 175.981 176.600 -0.023 0.000 1.015 216 E CA -0.284 56.102 56.400 -0.023 0.000 0.819 216 E CB 0.768 30.492 29.700 0.040 0.000 1.081 216 E HN 0.525 nan 8.360 nan 0.000 0.397 217 R N 1.234 121.708 120.500 -0.042 0.000 2.781 217 R HA 0.435 4.778 4.340 0.004 0.000 0.269 217 R C -0.966 175.309 176.300 -0.042 0.000 1.025 217 R CA -0.960 55.123 56.100 -0.030 0.000 0.914 217 R CB 1.198 31.480 30.300 -0.030 0.000 1.236 217 R HN 0.319 nan 8.270 nan 0.000 0.465 218 S N 0.382 116.068 115.700 -0.022 0.000 2.565 218 S HA 0.534 5.006 4.470 0.004 0.000 0.276 218 S C 0.239 174.812 174.600 -0.046 0.000 1.326 218 S CA -0.131 58.054 58.200 -0.026 0.000 1.045 218 S CB 0.638 63.844 63.200 0.010 0.000 0.918 218 S HN 0.742 nan 8.310 nan 0.000 0.505 219 A N 3.535 126.309 122.820 -0.078 0.000 2.406 219 A HA 0.602 4.925 4.320 0.004 0.000 0.243 219 A C 0.815 178.368 177.584 -0.051 0.000 1.082 219 A CA 0.058 52.040 52.037 -0.092 0.000 0.786 219 A CB -0.415 18.486 19.000 -0.164 0.000 1.029 219 A HN 1.115 nan 8.150 nan 0.000 0.495 220 G N -0.705 108.069 108.800 -0.043 0.000 2.521 220 G HA2 0.459 4.421 3.960 0.004 0.000 0.323 220 G HA3 0.459 4.421 3.960 0.004 0.000 0.323 220 G C -0.181 174.688 174.900 -0.052 0.000 1.211 220 G CA -0.362 44.717 45.100 -0.034 0.000 0.979 220 G HN 0.994 nan 8.290 nan 0.000 0.490 221 N N -1.414 117.224 118.700 -0.103 0.000 2.756 221 N HA -0.149 4.594 4.740 0.004 0.000 0.248 221 N C -0.623 174.874 175.510 -0.021 0.000 1.062 221 N CA 0.886 53.806 53.050 -0.216 0.000 0.696 221 N CB -1.259 37.004 38.487 -0.374 0.000 0.946 221 N HN 0.543 nan 8.380 nan 0.000 0.548 222 I N -0.185 120.401 120.570 0.025 0.000 2.499 222 I HA 0.273 4.446 4.170 0.004 0.000 0.288 222 I C 0.382 176.526 176.117 0.046 0.000 1.048 222 I CA -1.101 60.235 61.300 0.060 0.000 1.062 222 I CB 2.163 40.177 38.000 0.023 0.000 1.238 222 I HN -0.285 nan 8.210 nan 0.000 0.426 223 V N 6.286 126.239 119.914 0.065 0.000 2.521 223 V HA 0.135 4.258 4.120 0.004 0.000 0.286 223 V C 0.056 176.064 176.094 -0.144 0.000 1.034 223 V CA 0.009 62.307 62.300 -0.005 0.000 1.045 223 V CB 0.558 32.370 31.823 -0.018 0.000 0.974 223 V HN 0.724 nan 8.190 nan 0.000 0.480 224 Q N 3.540 123.181 119.800 -0.266 0.000 2.295 224 Q HA 0.442 4.785 4.340 0.004 0.000 0.259 224 Q C -1.267 174.263 176.000 -0.782 0.000 0.966 224 Q CA -0.574 54.901 55.803 -0.547 0.000 0.763 224 Q CB 2.513 30.821 28.738 -0.716 0.000 1.283 224 Q HN 0.593 nan 8.270 nan 0.000 0.445 225 V N 3.375 122.959 119.914 -0.550 0.000 2.583 225 V HA 0.417 4.539 4.120 0.004 0.000 0.287 225 V C -0.416 175.475 176.094 -0.339 0.000 1.051 225 V CA 0.205 62.296 62.300 -0.348 0.000 1.010 225 V CB 0.359 32.096 31.823 -0.144 0.000 0.988 225 V HN 0.611 nan 8.190 nan 0.000 0.478 226 F N 3.143 123.119 119.950 0.044 0.000 2.612 226 F HA 0.412 4.941 4.527 0.004 0.000 0.332 226 F C 0.495 176.287 175.800 -0.014 0.000 1.167 226 F CA -1.090 56.921 58.000 0.017 0.000 0.970 226 F CB 1.554 40.556 39.000 0.003 0.000 1.234 226 F HN 0.364 nan 8.300 nan 0.000 0.453 227 K N 3.084 123.569 120.400 0.142 0.000 2.469 227 K HA 0.137 4.460 4.320 0.004 0.000 0.274 227 K C -0.318 176.227 176.600 -0.091 0.000 0.983 227 K CA 0.171 56.378 56.287 -0.132 0.000 0.974 227 K CB 0.914 33.325 32.500 -0.149 0.000 0.913 227 K HN 0.541 nan 8.250 nan 0.000 0.493 228 K N 0.962 121.263 120.400 -0.165 0.000 2.316 228 K HA 0.341 4.664 4.320 0.004 0.000 0.251 228 K C -0.653 175.883 176.600 -0.106 0.000 0.934 228 K CA -0.618 55.609 56.287 -0.099 0.000 0.802 228 K CB 1.693 34.148 32.500 -0.076 0.000 1.171 228 K HN 0.735 nan 8.250 nan 0.000 0.426 229 A N 2.079 124.853 122.820 -0.078 0.000 2.672 229 A HA -0.037 4.286 4.320 0.004 0.000 0.232 229 A C 1.130 178.678 177.584 -0.059 0.000 1.121 229 A CA 1.278 53.277 52.037 -0.063 0.000 0.829 229 A CB -0.207 18.762 19.000 -0.051 0.000 1.027 229 A HN 0.964 nan 8.150 nan 0.000 0.515 230 A N 1.267 124.060 122.820 -0.044 0.000 1.872 230 A HA 0.100 4.422 4.320 0.004 0.000 0.214 230 A C -0.310 177.258 177.584 -0.027 0.000 1.187 230 A CA 1.397 53.413 52.037 -0.034 0.000 0.614 230 A CB -1.282 17.704 19.000 -0.024 0.000 0.826 230 A HN 0.744 nan 8.150 nan 0.000 0.442 231 P HA 0.092 nan 4.420 nan 0.000 0.261 231 P C -0.165 177.121 177.300 -0.023 0.000 1.650 231 P CA 0.698 63.787 63.100 -0.019 0.000 0.846 231 P CB -0.438 31.253 31.700 -0.016 0.000 1.758 232 S N 0.790 116.472 115.700 -0.031 0.000 2.632 232 S HA 0.625 5.098 4.470 0.004 0.000 0.289 232 S C -2.006 172.568 174.600 -0.043 0.000 1.115 232 S CA -1.548 56.627 58.200 -0.042 0.000 0.889 232 S CB 2.047 65.212 63.200 -0.058 0.000 1.116 232 S HN -0.125 nan 8.310 nan 0.000 0.486 233 P HA 0.228 nan 4.420 nan 0.000 0.224 233 P C 0.003 177.234 177.300 -0.116 0.000 1.159 233 P CA 0.366 63.431 63.100 -0.058 0.000 0.824 233 P CB -0.271 31.401 31.700 -0.046 0.000 0.833 234 I N 0.082 120.531 120.570 -0.202 0.000 2.440 234 I HA 0.252 4.424 4.170 0.004 0.000 0.294 234 I C 1.567 177.622 176.117 -0.103 0.000 0.995 234 I CA -0.551 60.610 61.300 -0.232 0.000 1.306 234 I CB 0.626 38.424 38.000 -0.338 0.000 1.407 234 I HN -0.182 nan 8.210 nan 0.000 0.501 235 S N 2.585 118.269 115.700 -0.026 0.000 2.475 235 S HA 0.247 4.720 4.470 0.004 0.000 0.224 235 S C 0.542 175.014 174.600 -0.213 0.000 1.042 235 S CA 0.297 58.469 58.200 -0.046 0.000 0.935 235 S CB -0.340 62.931 63.200 0.119 0.000 0.801 235 S HN 0.720 nan 8.310 nan 0.000 0.509 236 H N -0.803 118.267 119.070 0.000 0.000 2.985 236 H HA 0.733 5.291 4.556 0.004 0.000 0.360 236 H C -1.703 173.640 175.328 0.025 0.000 1.221 236 H CA -0.748 55.313 56.048 0.022 0.000 1.121 236 H CB 2.210 31.982 29.762 0.017 0.000 1.854 236 H HN 0.075 nan 8.280 nan 0.000 0.551 237 V N 0.596 120.611 119.914 0.169 0.000 2.891 237 V HA 0.488 4.610 4.120 0.004 0.000 0.304 237 V C -0.753 175.386 176.094 0.074 0.000 1.171 237 V CA -0.861 61.509 62.300 0.117 0.000 0.943 237 V CB 1.889 33.778 31.823 0.111 0.000 1.037 237 V HN 0.927 nan 8.190 nan 0.000 0.427 238 A N 3.549 126.398 122.820 0.048 0.000 2.303 238 A HA 0.873 5.196 4.320 0.004 0.000 0.320 238 A C -0.416 177.179 177.584 0.020 0.000 1.192 238 A CA -0.459 51.569 52.037 -0.016 0.000 0.821 238 A CB 0.770 19.764 19.000 -0.009 0.000 1.188 238 A HN 0.847 nan 8.150 nan 0.000 0.492 239 E N 0.785 120.968 120.200 -0.029 0.000 2.281 239 E HA 0.715 5.068 4.350 0.004 0.000 0.262 239 E C -1.333 175.292 176.600 0.041 0.000 0.933 239 E CA -0.721 55.702 56.400 0.039 0.000 0.809 239 E CB 2.774 32.521 29.700 0.077 0.000 1.242 239 E HN 0.592 nan 8.360 nan 0.000 0.418 240 I N 1.284 121.903 120.570 0.082 0.000 2.622 240 I HA 0.171 4.344 4.170 0.004 0.000 0.283 240 I C -1.201 174.954 176.117 0.064 0.000 1.202 240 I CA -0.422 60.933 61.300 0.091 0.000 1.075 240 I CB 0.899 39.005 38.000 0.178 0.000 1.274 240 I HN 0.410 nan 8.210 nan 0.000 0.450 241 R N 5.673 126.197 120.500 0.040 0.000 2.387 241 R HA 0.275 4.618 4.340 0.004 0.000 0.321 241 R C -0.434 175.858 176.300 -0.014 0.000 1.174 241 R CA 0.053 56.170 56.100 0.027 0.000 1.002 241 R CB 0.295 30.612 30.300 0.028 0.000 1.028 241 R HN 0.671 nan 8.270 nan 0.000 0.482 242 S N 2.416 118.115 115.700 -0.002 0.000 2.525 242 S HA 0.781 5.254 4.470 0.004 0.000 0.278 242 S C -0.309 174.303 174.600 0.020 0.000 1.234 242 S CA -0.632 57.544 58.200 -0.038 0.000 1.058 242 S CB 2.087 65.310 63.200 0.039 0.000 0.983 242 S HN 0.671 nan 8.310 nan 0.000 0.495 243 A N 2.249 125.068 122.820 -0.002 0.000 2.533 243 A HA 0.796 5.119 4.320 0.004 0.000 0.293 243 A C -1.631 175.980 177.584 0.044 0.000 1.228 243 A CA -1.028 51.040 52.037 0.051 0.000 0.689 243 A CB 0.860 19.884 19.000 0.041 0.000 1.303 243 A HN 0.796 nan 8.150 nan 0.000 0.444 244 L N 0.968 122.214 121.223 0.038 0.000 2.342 244 L HA 0.374 4.717 4.340 0.004 0.000 0.276 244 L C 1.018 177.898 176.870 0.016 0.000 0.997 244 L CA -0.359 54.489 54.840 0.013 0.000 0.838 244 L CB 1.595 43.627 42.059 -0.046 0.000 1.224 244 L HN 1.004 nan 8.230 nan 0.000 0.416 245 E N 2.042 122.259 120.200 0.028 0.000 2.108 245 E HA -0.212 4.141 4.350 0.004 0.000 0.203 245 E C -0.098 176.517 176.600 0.025 0.000 1.022 245 E CA 1.610 58.029 56.400 0.032 0.000 0.823 245 E CB 0.102 29.828 29.700 0.043 0.000 0.744 245 E HN 0.488 nan 8.360 nan 0.000 0.456 246 K N -1.202 119.204 120.400 0.011 0.000 2.469 246 K HA 0.467 4.790 4.320 0.004 0.000 0.254 246 K C -0.676 175.912 176.600 -0.021 0.000 0.939 246 K CA -0.149 56.142 56.287 0.005 0.000 0.812 246 K CB 2.372 34.877 32.500 0.007 0.000 1.301 246 K HN 0.155 nan 8.250 nan 0.000 0.433 247 G N 1.464 110.255 108.800 -0.015 0.000 3.038 247 G HA2 -0.181 3.781 3.960 0.004 0.000 0.241 247 G HA3 -0.181 3.781 3.960 0.004 0.000 0.241 247 G C 0.257 175.098 174.900 -0.097 0.000 0.968 247 G CA 0.650 45.723 45.100 -0.044 0.000 0.949 247 G HN 0.781 nan 8.290 nan 0.000 0.394 248 S N 1.710 117.375 115.700 -0.057 0.000 4.035 248 S HA -0.341 4.131 4.470 0.004 0.000 0.251 248 S C 1.255 175.862 174.600 0.012 0.000 1.813 248 S CA 2.025 60.182 58.200 -0.072 0.000 4.119 248 S CB -1.408 61.573 63.200 -0.365 0.000 0.327 248 S HN 2.523 nan 8.310 nan 0.000 0.457 249 R N 0.099 120.573 120.500 -0.044 0.000 3.155 249 R HA -0.050 4.293 4.340 0.004 0.000 0.267 249 R C -0.088 176.337 176.300 0.209 0.000 1.078 249 R CA 0.726 56.862 56.100 0.060 0.000 0.712 249 R CB -2.614 27.733 30.300 0.078 0.000 1.287 249 R HN 0.534 nan 8.270 nan 0.000 0.395 250 F N 0.924 120.900 119.950 0.044 0.000 2.589 250 F HA 0.072 4.602 4.527 0.004 0.000 0.352 250 F C 1.532 177.358 175.800 0.044 0.000 1.168 250 F CA -0.033 57.997 58.000 0.051 0.000 1.353 250 F CB 0.494 39.530 39.000 0.059 0.000 1.116 250 F HN 0.099 nan 8.300 nan 0.000 0.608 251 I N 2.632 123.327 120.570 0.208 0.000 2.641 251 I HA 0.084 4.257 4.170 0.004 0.000 0.275 251 I C -0.947 175.212 176.117 0.069 0.000 1.129 251 I CA -0.231 61.138 61.300 0.114 0.000 1.094 251 I CB 1.109 39.157 38.000 0.080 0.000 1.232 251 I HN 0.370 nan 8.210 nan 0.000 0.503 252 S N 1.971 117.724 115.700 0.089 0.000 2.622 252 S HA 0.428 4.900 4.470 0.004 0.000 0.283 252 S C -0.088 174.559 174.600 0.079 0.000 1.197 252 S CA -0.645 57.598 58.200 0.073 0.000 1.146 252 S CB 0.886 64.153 63.200 0.112 0.000 1.007 252 S HN 0.374 nan 8.310 nan 0.000 0.478 253 T N 4.759 119.352 114.554 0.066 0.000 2.814 253 T HA 0.343 4.696 4.350 0.004 0.000 0.297 253 T C 0.121 174.879 174.700 0.097 0.000 0.956 253 T CA -0.400 61.745 62.100 0.075 0.000 1.123 253 T CB 0.349 69.258 68.868 0.069 0.000 0.902 253 T HN 0.689 nan 8.240 nan 0.000 0.528 254 L N 3.412 124.702 121.223 0.112 0.000 2.375 254 L HA 0.459 4.801 4.340 0.004 0.000 0.271 254 L C -0.363 176.593 176.870 0.144 0.000 1.107 254 L CA 0.052 54.983 54.840 0.152 0.000 0.806 254 L CB 0.876 43.037 42.059 0.169 0.000 1.146 254 L HN 0.609 nan 8.230 nan 0.000 0.447 255 Q N 4.101 123.993 119.800 0.153 0.000 2.337 255 Q HA 0.407 4.749 4.340 0.004 0.000 0.260 255 Q C -1.443 174.648 176.000 0.152 0.000 0.982 255 Q CA -0.727 55.158 55.803 0.137 0.000 0.734 255 Q CB 2.260 31.070 28.738 0.120 0.000 1.272 255 Q HN 0.565 nan 8.270 nan 0.000 0.461 256 V N 3.553 123.553 119.914 0.143 0.000 2.339 256 V HA 0.191 4.314 4.120 0.004 0.000 0.261 256 V C -0.004 176.175 176.094 0.142 0.000 1.058 256 V CA -0.298 62.092 62.300 0.150 0.000 0.897 256 V CB 0.025 31.930 31.823 0.136 0.000 1.052 256 V HN 0.545 nan 8.190 nan 0.000 0.480 257 K N 4.024 124.531 120.400 0.179 0.000 2.118 257 K HA 0.601 4.923 4.320 0.004 0.000 0.267 257 K C -0.589 176.150 176.600 0.231 0.000 0.991 257 K CA -0.832 55.557 56.287 0.171 0.000 0.916 257 K CB 1.754 34.348 32.500 0.157 0.000 1.041 257 K HN 0.436 nan 8.250 nan 0.000 0.455 258 L N 3.465 124.792 121.223 0.175 0.000 2.387 258 L HA 0.295 4.637 4.340 0.004 0.000 0.259 258 L C -1.390 175.603 176.870 0.206 0.000 1.050 258 L CA -0.460 54.501 54.840 0.203 0.000 0.922 258 L CB -0.204 41.940 42.059 0.142 0.000 1.280 258 L HN 0.401 nan 8.230 nan 0.000 0.449 259 Y N 2.999 123.345 120.300 0.076 0.000 2.683 259 Y HA 0.437 4.989 4.550 0.004 0.000 0.340 259 Y C 1.383 177.321 175.900 0.065 0.000 1.245 259 Y CA 0.727 58.868 58.100 0.067 0.000 1.485 259 Y CB 0.453 38.949 38.460 0.061 0.000 1.328 259 Y HN 0.822 nan 8.280 nan 0.000 0.603 260 G N 2.897 111.798 108.800 0.169 0.000 3.421 260 G HA2 -0.135 3.827 3.960 0.004 0.000 0.686 260 G HA3 -0.135 3.827 3.960 0.004 0.000 0.686 260 G C -0.579 174.377 174.900 0.093 0.000 1.056 260 G CA -1.101 44.071 45.100 0.121 0.000 0.891 260 G HN 0.593 nan 8.290 nan 0.000 0.514 261 R N 1.300 121.840 120.500 0.068 0.000 2.580 261 R HA 0.315 4.657 4.340 0.004 0.000 0.267 261 R C 0.585 176.924 176.300 0.065 0.000 1.125 261 R CA -0.696 55.440 56.100 0.060 0.000 1.188 261 R CB 0.813 31.133 30.300 0.033 0.000 1.155 261 R HN 0.671 nan 8.270 nan 0.000 0.586 262 E N 0.484 120.723 120.200 0.065 0.000 2.603 262 E HA -0.053 4.300 4.350 0.004 0.000 0.242 262 E C 0.563 177.189 176.600 0.044 0.000 1.083 262 E CA 1.035 57.469 56.400 0.058 0.000 0.950 262 E CB 0.066 29.799 29.700 0.055 0.000 0.952 262 E HN 0.863 nan 8.360 nan 0.000 0.498 263 G N 2.927 111.753 108.800 0.043 0.000 2.195 263 G HA2 -0.317 3.646 3.960 0.004 0.000 0.224 263 G HA3 -0.317 3.646 3.960 0.004 0.000 0.224 263 G C 0.441 175.364 174.900 0.040 0.000 0.990 263 G CA 0.151 45.274 45.100 0.038 0.000 0.639 263 G HN 0.682 nan 8.290 nan 0.000 0.514 264 S N 0.369 116.097 115.700 0.046 0.000 2.580 264 S HA 0.478 4.951 4.470 0.004 0.000 0.261 264 S C 0.786 175.415 174.600 0.048 0.000 1.366 264 S CA 0.724 58.953 58.200 0.049 0.000 0.996 264 S CB 1.153 64.390 63.200 0.061 0.000 0.902 264 S HN 1.882 nan 8.310 nan 0.000 0.566 265 S N 0.390 116.119 115.700 0.048 0.000 2.400 265 S HA 0.556 5.028 4.470 0.004 0.000 0.295 265 S C 0.375 175.004 174.600 0.049 0.000 1.113 265 S CA -0.363 57.863 58.200 0.044 0.000 1.064 265 S CB -0.499 62.724 63.200 0.039 0.000 0.990 265 S HN 2.281 nan 8.310 nan 0.000 0.502 266 A N 2.832 125.679 122.820 0.046 0.000 2.089 266 A HA -0.142 4.181 4.320 0.004 0.000 0.260 266 A C 0.270 177.891 177.584 0.062 0.000 1.378 266 A CA -0.127 51.938 52.037 0.046 0.000 0.714 266 A CB -1.635 17.388 19.000 0.039 0.000 1.180 266 A HN 0.872 nan 8.150 nan 0.000 0.304 267 R N 1.176 121.715 120.500 0.064 0.000 2.291 267 R HA 0.322 4.664 4.340 0.004 0.000 0.333 267 R C 0.682 177.031 176.300 0.082 0.000 1.082 267 R CA 0.791 56.941 56.100 0.084 0.000 0.948 267 R CB 0.630 30.973 30.300 0.072 0.000 1.009 267 R HN 0.767 nan 8.270 nan 0.000 0.460 268 T N 2.795 117.412 114.554 0.104 0.000 2.943 268 T HA 0.533 4.886 4.350 0.004 0.000 0.284 268 T C 0.050 174.829 174.700 0.131 0.000 1.015 268 T CA -0.643 61.508 62.100 0.085 0.000 1.042 268 T CB 0.810 69.701 68.868 0.038 0.000 1.055 268 T HN 0.377 nan 8.240 nan 0.000 0.500 269 I N 3.434 124.070 120.570 0.109 0.000 2.389 269 I HA 0.463 4.636 4.170 0.004 0.000 0.288 269 I C 0.119 176.316 176.117 0.134 0.000 0.999 269 I CA -0.793 60.593 61.300 0.144 0.000 1.129 269 I CB 1.682 39.754 38.000 0.120 0.000 1.288 269 I HN 0.565 nan 8.210 nan 0.000 0.444 270 K N 4.302 124.812 120.400 0.182 0.000 2.352 270 K HA 0.922 5.244 4.320 0.004 0.000 0.240 270 K C -0.895 175.814 176.600 0.182 0.000 1.017 270 K CA -0.819 55.555 56.287 0.144 0.000 0.851 270 K CB 2.613 35.142 32.500 0.048 0.000 1.261 270 K HN 0.616 nan 8.250 nan 0.000 0.451 271 A N 0.352 123.262 122.820 0.149 0.000 2.435 271 A HA 0.740 5.063 4.320 0.004 0.000 0.296 271 A C -1.114 176.554 177.584 0.139 0.000 1.147 271 A CA -0.602 51.527 52.037 0.154 0.000 0.775 271 A CB 1.841 20.925 19.000 0.140 0.000 1.340 271 A HN 0.491 nan 8.150 nan 0.000 0.427 272 T N 1.434 116.077 114.554 0.148 0.000 2.847 272 T HA 0.539 4.892 4.350 0.004 0.000 0.291 272 T C -0.701 174.083 174.700 0.141 0.000 0.998 272 T CA -0.070 62.106 62.100 0.127 0.000 0.967 272 T CB 0.268 69.211 68.868 0.124 0.000 0.954 272 T HN 0.447 nan 8.240 nan 0.000 0.441 273 L N 5.440 126.725 121.223 0.104 0.000 2.344 273 L HA 0.568 4.911 4.340 0.004 0.000 0.272 273 L C -1.755 175.184 176.870 0.115 0.000 1.035 273 L CA -2.461 52.454 54.840 0.124 0.000 0.807 273 L CB 1.379 43.455 42.059 0.028 0.000 1.237 273 L HN 0.360 nan 8.230 nan 0.000 0.442 274 P HA -0.031 nan 4.420 nan 0.000 0.271 274 P C -0.462 176.990 177.300 0.252 0.000 1.233 274 P CA -0.009 63.201 63.100 0.184 0.000 0.789 274 P CB 0.262 32.139 31.700 0.295 0.000 0.951 275 Y N -2.713 117.578 120.300 -0.015 0.000 4.548 275 Y HA -0.220 4.333 4.550 0.004 0.000 0.212 275 Y C 0.751 176.654 175.900 0.005 0.000 1.049 275 Y CA 0.643 58.742 58.100 -0.002 0.000 1.809 275 Y CB -2.296 36.150 38.460 -0.024 0.000 1.601 275 Y HN 0.249 nan 8.280 nan 0.000 0.605 276 I N 0.739 121.377 120.570 0.113 0.000 2.382 276 I HA 0.139 4.312 4.170 0.004 0.000 0.286 276 I C 0.688 176.834 176.117 0.049 0.000 1.002 276 I CA -0.903 60.437 61.300 0.067 0.000 1.135 276 I CB 1.455 39.458 38.000 0.004 0.000 1.288 276 I HN -0.030 nan 8.210 nan 0.000 0.448 277 K N 5.984 126.414 120.400 0.050 0.000 2.914 277 K HA 0.072 4.395 4.320 0.004 0.000 0.246 277 K C -0.051 176.559 176.600 0.016 0.000 0.949 277 K CA 0.279 56.585 56.287 0.032 0.000 1.136 277 K CB -0.129 32.391 32.500 0.032 0.000 0.976 277 K HN 0.580 nan 8.250 nan 0.000 0.473 278 Q N -0.480 119.328 119.800 0.013 0.000 2.943 278 Q HA 0.112 4.455 4.340 0.004 0.000 0.305 278 Q C -1.867 174.150 176.000 0.027 0.000 0.873 278 Q CA -0.793 55.017 55.803 0.013 0.000 0.773 278 Q CB 1.780 30.501 28.738 -0.028 0.000 1.501 278 Q HN 0.086 nan 8.270 nan 0.000 0.442 279 D N 1.104 121.532 120.400 0.046 0.000 2.193 279 D HA 0.535 5.177 4.640 0.004 0.000 0.249 279 D C -0.746 175.588 176.300 0.056 0.000 1.034 279 D CA -0.008 54.035 54.000 0.071 0.000 0.902 279 D CB 1.171 42.041 40.800 0.117 0.000 1.182 279 D HN 0.315 nan 8.370 nan 0.000 0.436 280 I N 3.106 123.723 120.570 0.079 0.000 2.439 280 I HA 0.166 4.339 4.170 0.004 0.000 0.283 280 I C -2.269 173.925 176.117 0.127 0.000 1.023 280 I CA -2.248 59.133 61.300 0.135 0.000 1.100 280 I CB 2.432 40.496 38.000 0.106 0.000 1.238 280 I HN -0.024 nan 8.210 nan 0.000 0.445 281 P HA -0.093 nan 4.420 nan 0.000 0.261 281 P C 1.214 178.578 177.300 0.107 0.000 1.165 281 P CA 0.430 63.578 63.100 0.082 0.000 0.759 281 P CB 0.474 32.195 31.700 0.036 0.000 0.772 282 I N 2.030 122.679 120.570 0.131 0.000 2.113 282 I HA -0.314 3.859 4.170 0.004 0.000 0.242 282 I C 1.758 178.045 176.117 0.283 0.000 1.057 282 I CA 1.740 63.155 61.300 0.191 0.000 1.314 282 I CB -1.450 36.708 38.000 0.263 0.000 1.022 282 I HN 0.035 nan 8.210 nan 0.000 0.408 283 V N 2.027 122.089 119.914 0.246 0.000 2.250 283 V HA -0.325 3.797 4.120 0.004 0.000 0.250 283 V C 2.676 178.888 176.094 0.197 0.000 1.060 283 V CA 2.661 65.100 62.300 0.233 0.000 1.030 283 V CB -0.912 30.970 31.823 0.097 0.000 0.643 283 V HN 0.481 nan 8.190 nan 0.000 0.445 284 I N -0.210 120.423 120.570 0.105 0.000 2.113 284 I HA -0.322 3.851 4.170 0.004 0.000 0.242 284 I C 2.409 178.571 176.117 0.076 0.000 1.064 284 I CA 2.172 63.518 61.300 0.078 0.000 1.320 284 I CB -0.516 37.539 38.000 0.092 0.000 1.028 284 I HN 0.259 nan 8.210 nan 0.000 0.406 285 I N -0.084 120.511 120.570 0.041 0.000 2.264 285 I HA -0.319 3.853 4.170 0.004 0.000 0.248 285 I C 2.485 178.531 176.117 -0.117 0.000 1.111 285 I CA 1.698 62.938 61.300 -0.100 0.000 1.382 285 I CB -0.401 37.483 38.000 -0.194 0.000 1.060 285 I HN 0.087 nan 8.210 nan 0.000 0.418 286 F N 1.044 120.973 119.950 -0.035 0.000 2.051 286 F HA -0.212 4.317 4.527 0.004 0.000 0.296 286 F C 2.827 178.591 175.800 -0.060 0.000 1.122 286 F CA 1.577 59.547 58.000 -0.050 0.000 1.201 286 F CB -0.281 38.696 39.000 -0.037 0.000 0.978 286 F HN -0.159 nan 8.300 nan 0.000 0.472 287 R N -0.084 120.522 120.500 0.177 0.000 2.105 287 R HA -0.172 4.171 4.340 0.004 0.000 0.239 287 R C 2.326 178.650 176.300 0.040 0.000 1.135 287 R CA 1.150 57.300 56.100 0.084 0.000 0.967 287 R CB -0.769 29.565 30.300 0.057 0.000 0.861 287 R HN 0.305 nan 8.270 nan 0.000 0.442 288 A N 0.848 123.681 122.820 0.021 0.000 1.978 288 A HA -0.125 4.198 4.320 0.004 0.000 0.220 288 A C 1.987 179.553 177.584 -0.031 0.000 1.170 288 A CA 1.171 53.201 52.037 -0.011 0.000 0.636 288 A CB -0.353 18.623 19.000 -0.039 0.000 0.810 288 A HN 0.226 nan 8.150 nan 0.000 0.448 289 L N -1.979 119.221 121.223 -0.039 0.000 2.554 289 L HA 0.191 4.534 4.340 0.004 0.000 0.226 289 L C 1.782 178.647 176.870 -0.008 0.000 1.137 289 L CA 0.642 55.458 54.840 -0.040 0.000 0.863 289 L CB 0.137 42.146 42.059 -0.083 0.000 0.985 289 L HN 0.608 nan 8.230 nan 0.000 0.451 290 G N -0.008 108.798 108.800 0.008 0.000 2.316 290 G HA2 -0.206 3.756 3.960 0.004 0.000 0.203 290 G HA3 -0.206 3.756 3.960 0.004 0.000 0.203 290 G C 0.280 175.190 174.900 0.015 0.000 0.999 290 G CA -0.496 44.609 45.100 0.009 0.000 0.649 290 G HN 0.148 nan 8.290 nan 0.000 0.489 291 I N 2.171 122.761 120.570 0.033 0.000 2.301 291 I HA 0.408 4.580 4.170 0.004 0.000 0.292 291 I C 1.396 177.536 176.117 0.039 0.000 1.046 291 I CA -0.377 60.938 61.300 0.025 0.000 1.282 291 I CB 0.881 38.879 38.000 -0.004 0.000 1.409 291 I HN 0.092 nan 8.210 nan 0.000 0.484 292 I N 6.507 127.087 120.570 0.016 0.000 2.899 292 I HA 0.109 4.281 4.170 0.004 0.000 0.257 292 I C -1.491 174.627 176.117 0.001 0.000 1.115 292 I CA -0.211 61.098 61.300 0.015 0.000 1.451 292 I CB -0.449 37.559 38.000 0.013 0.000 1.251 292 I HN 0.390 nan 8.210 nan 0.000 0.456 293 P HA -0.016 nan 4.420 nan 0.000 0.263 293 P C -1.031 176.247 177.300 -0.036 0.000 1.195 293 P CA 0.305 63.398 63.100 -0.012 0.000 0.762 293 P CB 0.201 31.892 31.700 -0.014 0.000 0.799 294 D N 2.354 122.741 120.400 -0.023 0.000 2.406 294 D HA 0.128 4.770 4.640 0.004 0.000 0.234 294 D C 1.809 178.072 176.300 -0.063 0.000 1.196 294 D CA 1.487 55.461 54.000 -0.044 0.000 0.881 294 D CB -0.174 40.608 40.800 -0.029 0.000 1.205 294 D HN 0.680 nan 8.370 nan 0.000 0.453 295 G N 1.308 110.060 108.800 -0.080 0.000 2.435 295 G HA2 -0.439 3.524 3.960 0.004 0.000 0.245 295 G HA3 -0.439 3.524 3.960 0.004 0.000 0.245 295 G C 1.017 175.866 174.900 -0.084 0.000 1.073 295 G CA 0.733 45.786 45.100 -0.078 0.000 0.638 295 G HN 0.589 nan 8.290 nan 0.000 0.521 296 E N 0.076 120.232 120.200 -0.075 0.000 2.299 296 E HA 0.255 4.607 4.350 0.004 0.000 0.193 296 E C 2.519 179.103 176.600 -0.026 0.000 0.998 296 E CA 0.526 56.899 56.400 -0.045 0.000 0.851 296 E CB -0.066 29.622 29.700 -0.020 0.000 0.795 296 E HN 0.675 nan 8.360 nan 0.000 0.492 297 I N 0.687 121.166 120.570 -0.151 0.000 2.339 297 I HA -0.199 3.974 4.170 0.004 0.000 0.245 297 I C 1.992 177.922 176.117 -0.311 0.000 1.096 297 I CA 0.569 61.622 61.300 -0.411 0.000 1.408 297 I CB -0.012 37.673 38.000 -0.526 0.000 1.092 297 I HN 0.181 nan 8.210 nan 0.000 0.423 298 L N 0.267 121.386 121.223 -0.174 0.000 2.353 298 L HA -0.173 4.170 4.340 0.004 0.000 0.220 298 L C 2.261 179.107 176.870 -0.041 0.000 1.133 298 L CA 1.164 55.943 54.840 -0.101 0.000 0.798 298 L CB -0.801 41.216 42.059 -0.070 0.000 0.922 298 L HN 0.353 nan 8.230 nan 0.000 0.445 299 E N -0.366 119.820 120.200 -0.024 0.000 2.047 299 E HA -0.181 4.172 4.350 0.004 0.000 0.191 299 E C 2.028 178.725 176.600 0.161 0.000 0.987 299 E CA 0.863 57.281 56.400 0.031 0.000 0.799 299 E CB -0.063 29.610 29.700 -0.046 0.000 0.752 299 E HN 0.606 nan 8.360 nan 0.000 0.449 300 H N -0.025 119.132 119.070 0.144 0.000 2.518 300 H HA -0.039 4.520 4.556 0.004 0.000 0.289 300 H C 1.950 177.526 175.328 0.413 0.000 1.051 300 H CA 0.790 57.075 56.048 0.396 0.000 1.280 300 H CB 0.312 30.176 29.762 0.170 0.000 1.380 300 H HN 0.209 nan 8.280 nan 0.000 0.566 301 I N -0.395 120.289 120.570 0.191 0.000 3.313 301 I HA -0.076 4.096 4.170 0.004 0.000 0.233 301 I C 1.232 177.119 176.117 -0.384 0.000 1.050 301 I CA 0.023 61.322 61.300 -0.001 0.000 1.499 301 I CB 0.076 38.083 38.000 0.013 0.000 1.373 301 I HN 0.083 nan 8.210 nan 0.000 0.458 302 C N 1.826 120.981 119.300 -0.242 0.000 2.585 302 C HA 0.158 4.620 4.460 0.004 0.000 0.406 302 C C 0.230 175.111 174.990 -0.181 0.000 1.312 302 C CA -0.309 58.557 59.018 -0.252 0.000 1.924 302 C CB -1.170 26.511 27.740 -0.099 0.000 2.578 302 C HN 0.393 nan 8.230 nan 0.000 0.580 303 Y N 4.487 124.860 120.300 0.122 0.000 2.783 303 Y HA 0.394 4.946 4.550 0.004 0.000 0.382 303 Y C 0.413 176.371 175.900 0.098 0.000 1.076 303 Y CA -0.489 57.694 58.100 0.138 0.000 1.530 303 Y CB -0.009 38.565 38.460 0.190 0.000 1.546 303 Y HN 0.771 nan 8.280 nan 0.000 0.537 304 D N -0.723 119.788 120.400 0.184 0.000 2.575 304 D HA 0.014 4.657 4.640 0.004 0.000 0.214 304 D C -0.268 176.086 176.300 0.090 0.000 1.100 304 D CA -0.277 53.800 54.000 0.129 0.000 0.790 304 D CB 1.289 42.151 40.800 0.104 0.000 2.767 304 D HN 0.009 nan 8.370 nan 0.000 0.474 305 V N 2.846 122.812 119.914 0.086 0.000 3.541 305 V HA 0.077 4.199 4.120 0.004 0.000 0.267 305 V C 1.501 177.646 176.094 0.086 0.000 1.213 305 V CA 0.520 62.861 62.300 0.067 0.000 1.149 305 V CB -0.427 31.426 31.823 0.050 0.000 0.822 305 V HN 0.506 nan 8.190 nan 0.000 0.462 306 N N 0.584 119.341 118.700 0.095 0.000 2.314 306 N HA 0.013 4.756 4.740 0.004 0.000 0.200 306 N C 0.511 176.106 175.510 0.142 0.000 1.135 306 N CA 0.257 53.383 53.050 0.127 0.000 0.835 306 N CB 0.272 38.822 38.487 0.106 0.000 0.989 306 N HN 0.380 nan 8.380 nan 0.000 0.478 307 D N 1.193 121.640 120.400 0.078 0.000 3.179 307 D HA 0.000 4.643 4.640 0.004 0.000 0.267 307 D C 1.604 177.859 176.300 -0.075 0.000 1.348 307 D CA -0.751 53.225 54.000 -0.041 0.000 0.897 307 D CB -0.235 40.529 40.800 -0.061 0.000 1.062 307 D HN 0.227 nan 8.370 nan 0.000 0.494 308 W N 0.887 122.184 121.300 -0.004 0.000 2.290 308 W HA -0.285 4.378 4.660 0.004 0.000 0.311 308 W C 1.250 177.762 176.519 -0.013 0.000 1.238 308 W CA 0.530 57.869 57.345 -0.010 0.000 1.255 308 W CB -0.975 28.479 29.460 -0.009 0.000 1.145 308 W HN 0.194 nan 8.180 nan 0.000 0.506 309 Q N 0.524 119.653 119.800 -1.119 0.000 2.082 309 Q HA -0.304 4.039 4.340 0.004 0.000 0.211 309 Q C 2.438 178.203 176.000 -0.392 0.000 1.002 309 Q CA 3.015 58.193 55.803 -1.042 0.000 0.868 309 Q CB -0.641 27.456 28.738 -1.067 0.000 0.931 309 Q HN 0.507 nan 8.270 nan 0.000 0.414 310 M N 0.096 119.524 119.600 -0.286 0.000 2.081 310 M HA -0.165 4.318 4.480 0.004 0.000 0.261 310 M C 2.202 178.451 176.300 -0.086 0.000 1.075 310 M CA 1.139 56.342 55.300 -0.162 0.000 1.133 310 M CB -0.111 32.404 32.600 -0.142 0.000 1.330 310 M HN 0.204 nan 8.290 nan 0.000 0.414 311 L N 0.358 121.551 121.223 -0.050 0.000 2.054 311 L HA -0.324 4.019 4.340 0.004 0.000 0.220 311 L C 2.430 179.313 176.870 0.021 0.000 1.081 311 L CA 2.064 56.904 54.840 0.000 0.000 0.780 311 L CB -0.910 41.176 42.059 0.044 0.000 0.893 311 L HN 0.422 nan 8.230 nan 0.000 0.438 312 E N 0.200 120.436 120.200 0.060 0.000 2.033 312 E HA -0.283 4.070 4.350 0.004 0.000 0.199 312 E C 2.214 178.833 176.600 0.032 0.000 1.011 312 E CA 1.844 58.293 56.400 0.082 0.000 0.815 312 E CB -0.266 29.530 29.700 0.160 0.000 0.755 312 E HN 0.253 nan 8.360 nan 0.000 0.451 313 M N -0.281 119.319 119.600 -0.000 0.000 2.192 313 M HA -0.230 4.252 4.480 0.004 0.000 0.256 313 M C 2.234 178.534 176.300 0.001 0.000 1.076 313 M CA 1.403 56.698 55.300 -0.009 0.000 1.075 313 M CB -0.490 32.083 32.600 -0.044 0.000 1.368 313 M HN 0.258 nan 8.290 nan 0.000 0.406 314 L N -1.026 120.195 121.223 -0.003 0.000 2.313 314 L HA -0.142 4.201 4.340 0.004 0.000 0.214 314 L C 2.337 179.210 176.870 0.006 0.000 1.119 314 L CA 0.428 55.270 54.840 0.003 0.000 0.809 314 L CB -0.460 41.594 42.059 -0.009 0.000 0.933 314 L HN 0.270 nan 8.230 nan 0.000 0.449 315 K N 0.839 121.243 120.400 0.006 0.000 2.013 315 K HA -0.222 4.100 4.320 0.004 0.000 0.225 315 K C -0.522 176.079 176.600 0.002 0.000 1.056 315 K CA 2.256 58.543 56.287 -0.000 0.000 0.971 315 K CB -1.453 31.050 32.500 0.005 0.000 0.731 315 K HN 0.246 nan 8.250 nan 0.000 0.450 316 P HA -0.172 nan 4.420 nan 0.000 0.227 316 P C 1.015 178.327 177.300 0.021 0.000 1.145 316 P CA 1.262 64.371 63.100 0.016 0.000 0.769 316 P CB -0.127 31.588 31.700 0.025 0.000 0.769 317 C N -0.907 118.407 119.300 0.023 0.000 2.492 317 C HA -0.018 4.444 4.460 0.004 0.000 0.279 317 C C 2.881 177.888 174.990 0.029 0.000 1.335 317 C CA 0.349 59.386 59.018 0.033 0.000 1.734 317 C CB -1.265 26.500 27.740 0.042 0.000 2.027 317 C HN 0.114 nan 8.230 nan 0.000 0.496 318 V N 0.947 120.871 119.914 0.017 0.000 2.515 318 V HA -0.141 3.982 4.120 0.004 0.000 0.250 318 V C 2.410 178.533 176.094 0.048 0.000 1.058 318 V CA 1.626 63.939 62.300 0.021 0.000 1.064 318 V CB -0.683 31.133 31.823 -0.012 0.000 0.675 318 V HN 0.506 nan 8.190 nan 0.000 0.461 319 E N 0.404 120.622 120.200 0.029 0.000 2.007 319 E HA -0.284 4.069 4.350 0.004 0.000 0.203 319 E C 2.007 178.648 176.600 0.069 0.000 1.020 319 E CA 1.798 58.229 56.400 0.052 0.000 0.845 319 E CB -0.770 28.946 29.700 0.027 0.000 0.779 319 E HN 0.513 nan 8.360 nan 0.000 0.466 320 D N -0.275 120.140 120.400 0.024 0.000 2.242 320 D HA -0.181 4.462 4.640 0.004 0.000 0.190 320 D C 1.723 177.994 176.300 -0.049 0.000 1.012 320 D CA 1.940 55.930 54.000 -0.017 0.000 0.875 320 D CB -0.577 40.210 40.800 -0.022 0.000 0.922 320 D HN 0.365 nan 8.370 nan 0.000 0.448 321 G N -1.542 107.251 108.800 -0.011 0.000 3.088 321 G HA2 -0.104 3.858 3.960 0.004 0.000 0.217 321 G HA3 -0.104 3.858 3.960 0.004 0.000 0.217 321 G C 0.912 175.824 174.900 0.019 0.000 1.159 321 G CA -0.331 44.746 45.100 -0.037 0.000 0.760 321 G HN 0.233 nan 8.290 nan 0.000 0.550 322 F N 1.517 121.424 119.950 -0.071 0.000 2.664 322 F HA 0.067 4.597 4.527 0.004 0.000 0.297 322 F C 1.625 177.387 175.800 -0.063 0.000 1.164 322 F CA 0.261 58.227 58.000 -0.056 0.000 1.472 322 F CB 0.335 39.309 39.000 -0.044 0.000 1.108 322 F HN 0.014 nan 8.300 nan 0.000 0.596 323 V N 0.337 120.096 119.914 -0.259 0.000 3.307 323 V HA 0.085 4.207 4.120 0.004 0.000 0.253 323 V C 0.961 176.898 176.094 -0.261 0.000 1.149 323 V CA 0.396 62.499 62.300 -0.329 0.000 1.112 323 V CB -0.043 31.640 31.823 -0.234 0.000 0.777 323 V HN 0.004 nan 8.190 nan 0.000 0.464 324 I N 0.623 121.072 120.570 -0.202 0.000 2.354 324 I HA 0.370 4.542 4.170 0.004 0.000 0.292 324 I C 0.405 176.465 176.117 -0.096 0.000 0.989 324 I CA -0.043 61.172 61.300 -0.141 0.000 1.188 324 I CB 1.758 39.680 38.000 -0.131 0.000 1.342 324 I HN 0.055 nan 8.210 nan 0.000 0.457 325 Q N 4.327 124.079 119.800 -0.080 0.000 2.118 325 Q HA 0.145 4.488 4.340 0.004 0.000 0.219 325 Q C -1.184 174.803 176.000 -0.022 0.000 0.794 325 Q CA -0.114 55.661 55.803 -0.047 0.000 1.035 325 Q CB 0.588 29.287 28.738 -0.065 0.000 1.177 325 Q HN 0.741 nan 8.270 nan 0.000 0.478 326 D N -2.276 118.114 120.400 -0.017 0.000 2.753 326 D HA 0.132 4.774 4.640 0.004 0.000 0.224 326 D C 0.081 176.384 176.300 0.005 0.000 1.213 326 D CA -0.645 53.352 54.000 -0.005 0.000 0.833 326 D CB 0.882 41.677 40.800 -0.008 0.000 1.607 326 D HN 0.009 nan 8.370 nan 0.000 0.463 327 R N 0.960 121.465 120.500 0.008 0.000 2.133 327 R HA -0.216 4.126 4.340 0.004 0.000 0.247 327 R C 1.366 177.673 176.300 0.013 0.000 1.151 327 R CA 1.978 58.084 56.100 0.011 0.000 0.971 327 R CB 0.103 30.408 30.300 0.008 0.000 0.866 327 R HN 0.570 nan 8.270 nan 0.000 0.447 328 E N -0.940 119.267 120.200 0.011 0.000 2.017 328 E HA -0.148 4.205 4.350 0.004 0.000 0.193 328 E C 1.959 178.574 176.600 0.025 0.000 0.997 328 E CA 1.961 58.370 56.400 0.015 0.000 0.804 328 E CB -0.127 29.579 29.700 0.011 0.000 0.757 328 E HN 0.412 nan 8.360 nan 0.000 0.448 329 T N 1.394 115.961 114.554 0.022 0.000 2.720 329 T HA -0.202 4.151 4.350 0.004 0.000 0.268 329 T C 2.019 176.761 174.700 0.070 0.000 1.037 329 T CA 1.325 63.447 62.100 0.036 0.000 1.144 329 T CB -0.356 68.518 68.868 0.009 0.000 0.864 329 T HN 0.254 nan 8.240 nan 0.000 0.444 330 A N 1.666 124.518 122.820 0.052 0.000 1.851 330 A HA -0.070 4.252 4.320 0.004 0.000 0.216 330 A C 2.188 179.821 177.584 0.081 0.000 1.195 330 A CA 1.403 53.485 52.037 0.076 0.000 0.622 330 A CB -1.036 17.990 19.000 0.043 0.000 0.831 330 A HN 0.352 nan 8.150 nan 0.000 0.444 331 L N 0.008 121.255 121.223 0.040 0.000 2.263 331 L HA -0.179 4.163 4.340 0.004 0.000 0.216 331 L C 1.902 178.795 176.870 0.039 0.000 1.111 331 L CA 2.327 57.180 54.840 0.022 0.000 0.773 331 L CB -0.926 41.141 42.059 0.013 0.000 0.906 331 L HN 0.611 nan 8.230 nan 0.000 0.439 332 D N -1.800 118.639 120.400 0.066 0.000 2.201 332 D HA -0.202 4.440 4.640 0.004 0.000 0.209 332 D C 1.978 178.338 176.300 0.101 0.000 0.961 332 D CA 0.266 54.309 54.000 0.072 0.000 0.861 332 D CB -0.092 40.749 40.800 0.068 0.000 0.997 332 D HN 0.176 nan 8.370 nan 0.000 0.486 333 F N 1.153 121.099 119.950 -0.006 0.000 2.481 333 F HA 0.023 4.553 4.527 0.004 0.000 0.297 333 F C 0.424 176.224 175.800 0.001 0.000 1.095 333 F CA 0.748 58.745 58.000 -0.006 0.000 1.465 333 F CB -0.223 38.770 39.000 -0.013 0.000 1.098 333 F HN -0.003 nan 8.300 nan 0.000 0.585 334 I N 1.029 121.532 120.570 -0.112 0.000 2.234 334 I HA 0.359 4.532 4.170 0.004 0.000 0.287 334 I C 0.686 176.757 176.117 -0.077 0.000 1.131 334 I CA -0.043 61.160 61.300 -0.162 0.000 1.335 334 I CB -0.710 37.241 38.000 -0.081 0.000 1.511 334 I HN 0.125 nan 8.210 nan 0.000 0.588 346 E N 0.975 121.182 120.200 0.011 0.000 4.000 346 E HA -0.441 3.911 4.350 0.004 0.000 0.226 346 E C 1.210 177.819 176.600 0.015 0.000 1.270 346 E CA 2.564 58.971 56.400 0.012 0.000 2.118 346 E CB -1.004 28.699 29.700 0.006 0.000 1.850 346 E HN 0.454 nan 8.360 nan 0.000 0.280 347 K N 0.775 121.177 120.400 0.003 0.000 2.030 347 K HA -0.322 4.000 4.320 0.004 0.000 0.222 347 K C 2.221 178.832 176.600 0.019 0.000 1.056 347 K CA 2.617 58.901 56.287 -0.004 0.000 0.957 347 K CB -0.521 31.958 32.500 -0.035 0.000 0.727 347 K HN 0.362 nan 8.250 nan 0.000 0.452 348 R N 1.098 121.609 120.500 0.018 0.000 2.097 348 R HA -0.155 4.187 4.340 0.004 0.000 0.236 348 R C 2.429 178.795 176.300 0.111 0.000 1.135 348 R CA 2.031 58.173 56.100 0.071 0.000 0.934 348 R CB -1.179 29.148 30.300 0.044 0.000 0.846 348 R HN 0.177 nan 8.270 nan 0.000 0.431 349 I N 1.248 121.856 120.570 0.063 0.000 2.143 349 I HA -0.353 3.820 4.170 0.004 0.000 0.245 349 I C 2.907 179.058 176.117 0.057 0.000 1.068 349 I CA 1.869 63.200 61.300 0.051 0.000 1.326 349 I CB -0.369 37.650 38.000 0.033 0.000 1.028 349 I HN 0.292 nan 8.210 nan 0.000 0.412 350 Q N 0.201 120.040 119.800 0.065 0.000 2.050 350 Q HA -0.268 4.075 4.340 0.004 0.000 0.202 350 Q C 2.080 178.140 176.000 0.101 0.000 0.980 350 Q CA 1.823 57.664 55.803 0.064 0.000 0.840 350 Q CB -0.633 28.139 28.738 0.057 0.000 0.898 350 Q HN 0.514 nan 8.270 nan 0.000 0.424 351 Y N 0.288 120.573 120.300 -0.025 0.000 2.102 351 Y HA -0.308 4.245 4.550 0.004 0.000 0.280 351 Y C 1.968 177.846 175.900 -0.037 0.000 1.178 351 Y CA 1.733 59.812 58.100 -0.036 0.000 1.146 351 Y CB -0.983 37.458 38.460 -0.031 0.000 0.968 351 Y HN 0.195 nan 8.280 nan 0.000 0.504 352 A N 0.278 123.116 122.820 0.030 0.000 1.834 352 A HA -0.239 4.083 4.320 0.004 0.000 0.216 352 A C 2.309 179.848 177.584 -0.075 0.000 1.203 352 A CA 2.203 54.199 52.037 -0.068 0.000 0.621 352 A CB -0.806 18.182 19.000 -0.019 0.000 0.841 352 A HN 0.480 nan 8.150 nan 0.000 0.446 353 K N -0.490 119.895 120.400 -0.026 0.000 2.077 353 K HA -0.233 4.089 4.320 0.004 0.000 0.213 353 K C 1.750 178.337 176.600 -0.022 0.000 1.051 353 K CA 1.802 58.078 56.287 -0.018 0.000 0.929 353 K CB -0.408 32.096 32.500 0.005 0.000 0.715 353 K HN 0.523 nan 8.250 nan 0.000 0.451 354 D N 0.718 121.101 120.400 -0.029 0.000 2.117 354 D HA -0.123 4.520 4.640 0.004 0.000 0.197 354 D C 2.007 178.267 176.300 -0.068 0.000 0.987 354 D CA 1.021 54.999 54.000 -0.037 0.000 0.829 354 D CB -0.084 40.695 40.800 -0.034 0.000 0.961 354 D HN 0.194 nan 8.370 nan 0.000 0.460 355 I N 1.092 121.577 120.570 -0.143 0.000 2.163 355 I HA -0.263 3.909 4.170 0.004 0.000 0.243 355 I C 2.172 178.287 176.117 -0.004 0.000 1.085 355 I CA 0.898 62.113 61.300 -0.142 0.000 1.347 355 I CB -0.192 37.662 38.000 -0.244 0.000 1.044 355 I HN -0.006 nan 8.210 nan 0.000 0.408 356 L N -0.168 121.038 121.223 -0.030 0.000 2.622 356 L HA -0.099 4.244 4.340 0.004 0.000 0.233 356 L C 2.155 179.115 176.870 0.151 0.000 1.156 356 L CA 0.524 55.389 54.840 0.041 0.000 0.866 356 L CB -0.481 41.518 42.059 -0.100 0.000 0.980 356 L HN 0.391 nan 8.230 nan 0.000 0.448 357 Q N -0.067 119.783 119.800 0.084 0.000 2.389 357 Q HA 0.043 4.385 4.340 0.004 0.000 0.201 357 Q C 1.441 177.476 176.000 0.059 0.000 0.956 357 Q CA 0.540 56.385 55.803 0.070 0.000 0.871 357 Q CB 0.472 29.233 28.738 0.038 0.000 0.990 357 Q HN 0.352 nan 8.270 nan 0.000 0.554 358 K N -0.285 120.145 120.400 0.049 0.000 2.374 358 K HA 0.105 4.427 4.320 0.004 0.000 0.202 358 K C 0.695 177.361 176.600 0.109 0.000 1.040 358 K CA 0.205 56.528 56.287 0.060 0.000 1.085 358 K CB 0.922 33.454 32.500 0.053 0.000 0.873 358 K HN 0.017 nan 8.250 nan 0.000 0.539 359 E N -0.149 120.113 120.200 0.103 0.000 2.485 359 E HA 0.073 4.426 4.350 0.004 0.000 0.213 359 E C -0.471 176.249 176.600 0.199 0.000 0.923 359 E CA -0.054 56.433 56.400 0.145 0.000 1.054 359 E CB 0.443 30.178 29.700 0.058 0.000 1.077 359 E HN 0.090 nan 8.360 nan 0.000 0.509 360 F N 1.811 121.780 119.950 0.032 0.000 2.388 360 F HA 0.357 4.887 4.527 0.004 0.000 0.358 360 F C 0.290 176.103 175.800 0.022 0.000 1.122 360 F CA -1.039 56.981 58.000 0.033 0.000 1.056 360 F CB 0.601 39.604 39.000 0.006 0.000 1.155 360 F HN -0.164 nan 8.300 nan 0.000 0.461 361 L N 7.631 128.512 121.223 -0.570 0.000 3.608 361 L HA -0.209 4.133 4.340 0.004 0.000 0.422 361 L C -1.602 175.089 176.870 -0.297 0.000 1.260 361 L CA 0.295 54.785 54.840 -0.583 0.000 0.889 361 L CB -1.360 40.062 42.059 -1.062 0.000 1.821 361 L HN 0.577 nan 8.230 nan 0.000 0.884 362 P HA -0.215 nan 4.420 nan 0.000 0.216 362 P C 0.856 178.124 177.300 -0.053 0.000 1.157 362 P CA 1.937 65.025 63.100 -0.020 0.000 0.880 362 P CB -0.427 31.328 31.700 0.091 0.000 0.791 363 H N -0.392 118.599 119.070 -0.132 0.000 2.801 363 H HA 0.117 4.675 4.556 0.004 0.000 0.377 363 H C 1.497 176.706 175.328 -0.198 0.000 1.304 363 H CA 0.363 56.332 56.048 -0.132 0.000 1.451 363 H CB 0.442 30.144 29.762 -0.099 0.000 1.474 363 H HN 0.102 nan 8.280 nan 0.000 0.620 364 I N -1.716 118.629 120.570 -0.375 0.000 4.811 364 I HA -0.308 3.864 4.170 0.004 0.000 0.040 364 I C -0.172 175.747 176.117 -0.330 0.000 0.634 364 I CA 1.376 62.407 61.300 -0.448 0.000 0.558 364 I CB -1.306 36.357 38.000 -0.562 0.000 0.550 364 I HN 0.829 nan 8.210 nan 0.000 0.153 365 T N 0.081 114.450 114.554 -0.308 0.000 2.927 365 T HA 0.278 4.630 4.350 0.004 0.000 0.350 365 T C -0.741 173.833 174.700 -0.209 0.000 1.746 365 T CA -0.523 61.382 62.100 -0.325 0.000 1.081 365 T CB 2.102 70.603 68.868 -0.613 0.000 1.551 365 T HN 0.369 nan 8.240 nan 0.000 0.489 366 Q N 0.847 120.544 119.800 -0.173 0.000 2.214 366 Q HA 0.325 4.667 4.340 0.004 0.000 0.229 366 Q C 1.198 177.158 176.000 -0.066 0.000 0.835 366 Q CA -0.131 55.620 55.803 -0.087 0.000 0.953 366 Q CB 0.617 29.314 28.738 -0.069 0.000 1.131 366 Q HN 0.547 nan 8.270 nan 0.000 0.501 367 L N 0.636 121.791 121.223 -0.114 0.000 2.164 367 L HA -0.164 4.179 4.340 0.004 0.000 0.173 367 L C 1.602 178.494 176.870 0.036 0.000 0.835 367 L CA 1.259 56.069 54.840 -0.050 0.000 1.866 367 L CB -0.123 41.880 42.059 -0.093 0.000 1.765 367 L HN 0.147 nan 8.230 nan 0.000 0.580 368 E N -0.749 119.522 120.200 0.118 0.000 2.941 368 E HA 0.096 4.449 4.350 0.004 0.000 0.180 368 E C 1.099 177.817 176.600 0.197 0.000 1.130 368 E CA 0.376 56.854 56.400 0.129 0.000 1.243 368 E CB -0.003 29.753 29.700 0.093 0.000 1.582 368 E HN 0.607 nan 8.360 nan 0.000 0.499 369 G N 0.986 109.933 108.800 0.244 0.000 3.197 369 G HA2 0.176 4.139 3.960 0.004 0.000 0.257 369 G HA3 0.176 4.139 3.960 0.004 0.000 0.257 369 G C -0.641 174.272 174.900 0.021 0.000 0.835 369 G CA 0.142 45.317 45.100 0.126 0.000 2.001 369 G HN 0.033 nan 8.290 nan 0.000 0.625 370 F N -0.433 119.517 119.950 0.001 0.000 2.541 370 F HA 0.298 4.828 4.527 0.004 0.000 0.368 370 F C 0.904 176.710 175.800 0.009 0.000 1.530 370 F CA -0.815 57.182 58.000 -0.004 0.000 1.102 370 F CB 1.092 40.075 39.000 -0.027 0.000 1.382 370 F HN 0.170 nan 8.300 nan 0.000 0.541 371 E N -0.346 119.917 120.200 0.104 0.000 2.285 371 E HA -0.093 4.259 4.350 0.004 0.000 0.194 371 E C 2.267 178.901 176.600 0.056 0.000 0.997 371 E CA 1.173 57.620 56.400 0.079 0.000 0.845 371 E CB 0.108 29.830 29.700 0.038 0.000 0.782 371 E HN 0.371 nan 8.360 nan 0.000 0.491 372 S N 0.383 116.111 115.700 0.047 0.000 2.388 372 S HA -0.041 4.432 4.470 0.004 0.000 0.223 372 S C 1.929 176.634 174.600 0.175 0.000 1.034 372 S CA 0.185 58.418 58.200 0.054 0.000 0.963 372 S CB -0.062 63.185 63.200 0.078 0.000 0.827 372 S HN 0.071 nan 8.310 nan 0.000 0.481 373 R N 1.647 122.250 120.500 0.172 0.000 2.096 373 R HA -0.054 4.288 4.340 0.004 0.000 0.240 373 R C 2.493 178.923 176.300 0.216 0.000 1.139 373 R CA 1.768 57.971 56.100 0.172 0.000 0.952 373 R CB -0.395 29.990 30.300 0.141 0.000 0.854 373 R HN 0.522 nan 8.270 nan 0.000 0.436 374 K N 0.173 120.677 120.400 0.173 0.000 2.062 374 K HA -0.010 4.313 4.320 0.004 0.000 0.205 374 K C 2.239 179.005 176.600 0.276 0.000 1.051 374 K CA 1.078 57.477 56.287 0.187 0.000 0.941 374 K CB -0.132 32.480 32.500 0.187 0.000 0.719 374 K HN 0.125 nan 8.250 nan 0.000 0.440 375 A N 1.191 124.105 122.820 0.157 0.000 1.908 375 A HA -0.166 4.157 4.320 0.004 0.000 0.218 375 A C 2.000 179.721 177.584 0.228 0.000 1.181 375 A CA 1.272 53.310 52.037 0.002 0.000 0.627 375 A CB -0.858 18.052 19.000 -0.150 0.000 0.818 375 A HN 0.231 nan 8.150 nan 0.000 0.445 376 F N -1.853 118.301 119.950 0.340 0.000 2.095 376 F HA -0.190 4.340 4.527 0.004 0.000 0.298 376 F C 2.123 178.392 175.800 0.782 0.000 1.104 376 F CA 1.603 59.943 58.000 0.567 0.000 1.232 376 F CB -0.286 38.828 39.000 0.191 0.000 0.987 376 F HN 0.335 nan 8.300 nan 0.000 0.475 377 F N 0.199 120.596 119.950 0.745 0.000 2.075 377 F HA -0.254 4.276 4.527 0.004 0.000 0.297 377 F C 2.217 178.344 175.800 0.545 0.000 1.113 377 F CA 1.309 59.730 58.000 0.702 0.000 1.218 377 F CB -0.643 38.611 39.000 0.424 0.000 0.984 377 F HN -0.118 nan 8.300 nan 0.000 0.472 378 L N 0.540 122.129 121.223 0.610 0.000 2.263 378 L HA -0.091 4.251 4.340 0.004 0.000 0.216 378 L C 2.131 179.232 176.870 0.385 0.000 1.111 378 L CA 2.041 57.117 54.840 0.393 0.000 0.773 378 L CB -1.437 40.726 42.059 0.172 0.000 0.906 378 L HN 0.201 nan 8.230 nan 0.000 0.439 379 G N -1.653 107.491 108.800 0.574 0.000 2.424 379 G HA2 -0.334 3.628 3.960 0.004 0.000 0.214 379 G HA3 -0.334 3.628 3.960 0.004 0.000 0.214 379 G C 1.489 176.667 174.900 0.463 0.000 1.202 379 G CA 0.667 46.159 45.100 0.654 0.000 0.793 379 G HN 0.497 nan 8.290 nan 0.000 0.534 380 Y N 0.787 121.332 120.300 0.409 0.000 2.193 380 Y HA -0.136 4.416 4.550 0.004 0.000 0.285 380 Y C 2.733 178.622 175.900 -0.019 0.000 1.166 380 Y CA 2.103 60.285 58.100 0.137 0.000 1.181 380 Y CB -0.166 38.215 38.460 -0.132 0.000 0.976 380 Y HN 0.198 nan 8.280 nan 0.000 0.520 381 M N -0.860 118.727 119.600 -0.021 0.000 2.296 381 M HA -0.144 4.338 4.480 0.004 0.000 0.265 381 M C 1.568 177.829 176.300 -0.065 0.000 1.064 381 M CA 1.521 56.765 55.300 -0.092 0.000 1.109 381 M CB -0.125 32.539 32.600 0.106 0.000 1.396 381 M HN 0.347 nan 8.290 nan 0.000 0.430 382 I N -1.015 119.569 120.570 0.023 0.000 3.030 382 I HA -0.149 4.024 4.170 0.004 0.000 0.270 382 I C 1.822 177.901 176.117 -0.064 0.000 1.211 382 I CA 0.470 61.785 61.300 0.025 0.000 1.479 382 I CB -0.470 37.605 38.000 0.124 0.000 1.105 382 I HN 0.331 nan 8.210 nan 0.000 0.447 383 N N 1.207 119.833 118.700 -0.123 0.000 2.109 383 N HA -0.141 4.601 4.740 0.004 0.000 0.188 383 N C 2.039 177.410 175.510 -0.232 0.000 1.034 383 N CA 1.191 54.125 53.050 -0.192 0.000 0.846 383 N CB 0.161 38.509 38.487 -0.232 0.000 1.010 383 N HN -0.024 nan 8.380 nan 0.000 0.425 384 R N 0.469 120.755 120.500 -0.356 0.000 2.120 384 R HA -0.066 4.277 4.340 0.004 0.000 0.234 384 R C 2.086 178.257 176.300 -0.215 0.000 1.123 384 R CA 0.498 56.396 56.100 -0.336 0.000 0.975 384 R CB -1.498 28.510 30.300 -0.487 0.000 0.866 384 R HN 0.358 nan 8.270 nan 0.000 0.446 385 L N 0.907 122.024 121.223 -0.176 0.000 1.989 385 L HA -0.116 4.227 4.340 0.004 0.000 0.211 385 L C 2.151 178.930 176.870 -0.152 0.000 1.071 385 L CA 1.662 56.431 54.840 -0.118 0.000 0.749 385 L CB -0.447 41.578 42.059 -0.056 0.000 0.890 385 L HN 0.063 nan 8.230 nan 0.000 0.431 386 L N -1.559 119.577 121.223 -0.146 0.000 2.093 386 L HA -0.200 4.143 4.340 0.004 0.000 0.208 386 L C 2.525 179.289 176.870 -0.176 0.000 1.085 386 L CA 0.530 55.271 54.840 -0.166 0.000 0.755 386 L CB -0.683 41.300 42.059 -0.128 0.000 0.904 386 L HN 0.292 nan 8.230 nan 0.000 0.435 387 L N -0.135 120.996 121.223 -0.153 0.000 2.051 387 L HA -0.308 4.034 4.340 0.004 0.000 0.214 387 L C 2.744 179.540 176.870 -0.123 0.000 1.076 387 L CA 1.734 56.497 54.840 -0.128 0.000 0.758 387 L CB -1.058 40.932 42.059 -0.115 0.000 0.890 387 L HN 0.411 nan 8.230 nan 0.000 0.433 388 C N -1.200 118.021 119.300 -0.132 0.000 2.446 388 C HA 0.047 4.509 4.460 0.004 0.000 0.279 388 C C 2.761 177.637 174.990 -0.189 0.000 1.366 388 C CA 0.551 59.514 59.018 -0.092 0.000 1.763 388 C CB -1.110 26.613 27.740 -0.028 0.000 1.929 388 C HN 0.529 nan 8.230 nan 0.000 0.509 389 A N -0.618 121.939 122.820 -0.438 0.000 2.178 389 A HA 0.303 4.626 4.320 0.004 0.000 0.211 389 A C 1.707 179.140 177.584 -0.251 0.000 1.157 389 A CA 0.625 52.237 52.037 -0.708 0.000 0.780 389 A CB -0.303 18.232 19.000 -0.775 0.000 0.828 389 A HN 0.619 nan 8.150 nan 0.000 0.476 390 L N -0.796 120.323 121.223 -0.174 0.000 2.667 390 L HA 0.149 4.491 4.340 0.004 0.000 0.232 390 L C -0.390 176.437 176.870 -0.072 0.000 1.138 390 L CA -0.103 54.667 54.840 -0.116 0.000 0.921 390 L CB 0.005 41.982 42.059 -0.137 0.000 1.180 390 L HN 0.200 nan 8.230 nan 0.000 0.487 391 D N 0.140 120.513 120.400 -0.046 0.000 2.837 391 D HA -0.221 4.422 4.640 0.004 0.000 0.230 391 D C 1.250 177.534 176.300 -0.027 0.000 1.152 391 D CA 0.726 54.718 54.000 -0.013 0.000 0.736 391 D CB -0.653 40.147 40.800 0.000 0.000 1.084 391 D HN 0.316 nan 8.370 nan 0.000 0.429 392 R N -0.423 120.050 120.500 -0.045 0.000 2.237 392 R HA 0.189 4.531 4.340 0.004 0.000 0.195 392 R C 0.422 176.704 176.300 -0.030 0.000 0.956 392 R CA 0.452 56.526 56.100 -0.044 0.000 1.029 392 R CB 0.622 30.884 30.300 -0.064 0.000 0.972 392 R HN 0.059 nan 8.270 nan 0.000 0.493 393 K N 0.650 121.033 120.400 -0.028 0.000 2.525 393 K HA 0.181 4.503 4.320 0.004 0.000 0.254 393 K C -1.346 175.256 176.600 0.004 0.000 0.934 393 K CA -0.684 55.594 56.287 -0.016 0.000 0.802 393 K CB 2.432 34.913 32.500 -0.033 0.000 1.295 393 K HN -0.101 nan 8.250 nan 0.000 0.433 394 D N 1.687 122.099 120.400 0.019 0.000 2.335 394 D HA -0.075 4.567 4.640 0.004 0.000 0.236 394 D C 0.204 176.536 176.300 0.054 0.000 1.297 394 D CA 0.459 54.484 54.000 0.042 0.000 0.906 394 D CB 0.728 41.555 40.800 0.045 0.000 1.164 394 D HN 0.384 nan 8.370 nan 0.000 0.469 395 Q N 0.111 119.963 119.800 0.087 0.000 2.382 395 Q HA 0.028 4.371 4.340 0.004 0.000 0.229 395 Q C -0.611 175.468 176.000 0.131 0.000 1.006 395 Q CA -0.321 55.561 55.803 0.131 0.000 0.916 395 Q CB 0.762 29.601 28.738 0.168 0.000 1.235 395 Q HN 0.289 nan 8.270 nan 0.000 0.512 396 D N 1.927 122.419 120.400 0.154 0.000 2.312 396 D HA -0.011 4.631 4.640 0.004 0.000 0.252 396 D C -0.884 175.593 176.300 0.294 0.000 1.150 396 D CA 0.040 54.119 54.000 0.131 0.000 0.870 396 D CB 0.806 41.545 40.800 -0.100 0.000 1.153 396 D HN 0.450 nan 8.370 nan 0.000 0.457 397 D N 2.803 123.316 120.400 0.189 0.000 2.367 397 D HA -0.013 4.630 4.640 0.004 0.000 0.255 397 D C 1.217 177.608 176.300 0.152 0.000 1.300 397 D CA -0.014 54.083 54.000 0.161 0.000 0.959 397 D CB 0.295 41.189 40.800 0.156 0.000 1.064 397 D HN 0.294 nan 8.370 nan 0.000 0.509 398 R N 2.015 122.603 120.500 0.146 0.000 2.200 398 R HA -0.107 4.236 4.340 0.004 0.000 0.234 398 R C 0.474 176.789 176.300 0.024 0.000 1.127 398 R CA 0.900 57.068 56.100 0.113 0.000 0.989 398 R CB 0.239 30.547 30.300 0.013 0.000 0.869 398 R HN 0.406 nan 8.270 nan 0.000 0.459 399 D N -0.387 119.966 120.400 -0.079 0.000 2.328 399 D HA -0.038 4.604 4.640 0.004 0.000 0.221 399 D C 0.106 176.173 176.300 -0.388 0.000 1.072 399 D CA 0.231 54.088 54.000 -0.239 0.000 0.850 399 D CB -0.069 40.507 40.800 -0.374 0.000 0.922 399 D HN 0.174 nan 8.370 nan 0.000 0.516 400 H N 0.597 119.532 119.070 -0.225 0.000 2.929 400 H HA -0.079 4.479 4.556 0.004 0.000 0.317 400 H C 0.621 175.982 175.328 0.055 0.000 1.031 400 H CA 0.007 56.010 56.048 -0.074 0.000 1.466 400 H CB 0.481 30.262 29.762 0.031 0.000 1.482 400 H HN -0.045 nan 8.280 nan 0.000 0.561 401 F N 3.940 123.937 119.950 0.077 0.000 2.234 401 F HA -0.014 4.516 4.527 0.004 0.000 0.299 401 F C 2.311 178.214 175.800 0.172 0.000 1.087 401 F CA 1.442 59.525 58.000 0.137 0.000 1.340 401 F CB -0.381 38.734 39.000 0.192 0.000 1.031 401 F HN 0.711 nan 8.300 nan 0.000 0.500 402 G N -0.461 108.585 108.800 0.409 0.000 2.535 402 G HA2 -0.223 3.739 3.960 0.004 0.000 0.218 402 G HA3 -0.223 3.739 3.960 0.004 0.000 0.218 402 G C 1.388 176.228 174.900 -0.101 0.000 1.122 402 G CA 0.288 45.455 45.100 0.112 0.000 0.769 402 G HN 0.312 nan 8.290 nan 0.000 0.549 403 K N 0.249 120.621 120.400 -0.047 0.000 2.576 403 K HA 0.213 4.536 4.320 0.004 0.000 0.209 403 K C -0.173 176.362 176.600 -0.108 0.000 1.049 403 K CA 0.049 56.270 56.287 -0.112 0.000 1.140 403 K CB 0.394 32.858 32.500 -0.061 0.000 0.871 403 K HN 0.238 nan 8.250 nan 0.000 0.479 404 K N 0.619 120.909 120.400 -0.182 0.000 2.508 404 K HA 0.468 4.790 4.320 0.004 0.000 0.260 404 K C -0.627 175.791 176.600 -0.304 0.000 0.949 404 K CA -1.225 54.940 56.287 -0.203 0.000 0.834 404 K CB 1.903 34.303 32.500 -0.167 0.000 1.365 404 K HN -0.193 nan 8.250 nan 0.000 0.437 405 R N 0.954 121.320 120.500 -0.223 0.000 2.892 405 R HA 0.556 4.899 4.340 0.004 0.000 0.265 405 R C -0.700 175.496 176.300 -0.174 0.000 1.025 405 R CA -0.933 55.043 56.100 -0.207 0.000 0.982 405 R CB 0.842 31.060 30.300 -0.138 0.000 1.185 405 R HN 0.562 nan 8.270 nan 0.000 0.484 406 L N 2.110 123.245 121.223 -0.148 0.000 2.316 406 L HA 0.316 4.659 4.340 0.004 0.000 0.280 406 L C -0.643 176.180 176.870 -0.078 0.000 1.006 406 L CA -0.685 54.094 54.840 -0.101 0.000 0.836 406 L CB 1.799 43.807 42.059 -0.086 0.000 1.221 406 L HN 0.336 nan 8.230 nan 0.000 0.418 407 D N 4.132 124.487 120.400 -0.076 0.000 2.352 407 D HA 0.255 4.897 4.640 0.004 0.000 0.245 407 D C 0.068 176.320 176.300 -0.080 0.000 1.224 407 D CA -0.180 53.778 54.000 -0.070 0.000 0.879 407 D CB 2.026 42.778 40.800 -0.081 0.000 1.057 407 D HN 0.119 nan 8.370 nan 0.000 0.491 408 L N 1.553 122.745 121.223 -0.052 0.000 0.000 408 L HA 0.358 4.700 4.340 0.004 0.000 0.000 408 L C 1.822 178.677 176.870 -0.025 0.000 0.000 408 L CA -0.207 54.606 54.840 -0.044 0.000 0.000 408 L CB 0.406 42.451 42.059 -0.023 0.000 0.000 408 L HN 0.411 nan 8.230 nan 0.000 0.000 409 A N 0.870 123.695 122.820 0.009 0.000 1.882 409 A HA -0.258 4.065 4.320 0.004 0.000 0.220 409 A C 1.974 179.590 177.584 0.054 0.000 1.253 409 A CA 2.636 54.722 52.037 0.081 0.000 0.664 409 A CB -1.811 17.284 19.000 0.158 0.000 0.838 409 A HN 0.929 nan 8.150 nan 0.000 0.460 410 G N -0.079 108.775 108.800 0.091 0.000 2.863 410 G HA2 -0.261 3.701 3.960 0.004 0.000 0.217 410 G HA3 -0.261 3.701 3.960 0.004 0.000 0.217 410 G C -0.206 174.647 174.900 -0.078 0.000 1.315 410 G CA 1.561 46.674 45.100 0.022 0.000 0.796 410 G HN 0.478 nan 8.290 nan 0.000 0.669 411 P HA -0.115 nan 4.420 nan 0.000 0.218 411 P C 1.970 179.311 177.300 0.067 0.000 1.147 411 P CA 1.002 64.141 63.100 0.065 0.000 0.827 411 P CB -0.134 31.593 31.700 0.045 0.000 0.778 412 L N -2.083 119.166 121.223 0.042 0.000 2.068 412 L HA -0.109 4.234 4.340 0.004 0.000 0.204 412 L C 2.448 179.524 176.870 0.342 0.000 1.076 412 L CA 1.089 56.041 54.840 0.187 0.000 0.753 412 L CB -0.903 41.149 42.059 -0.012 0.000 0.910 412 L HN -0.054 nan 8.230 nan 0.000 0.439 413 L N -0.222 121.002 121.223 0.002 0.000 2.079 413 L HA -0.234 4.109 4.340 0.004 0.000 0.210 413 L C 2.879 179.682 176.870 -0.112 0.000 1.081 413 L CA 1.189 55.878 54.840 -0.252 0.000 0.752 413 L CB -0.732 40.749 42.059 -0.962 0.000 0.896 413 L HN 0.279 nan 8.230 nan 0.000 0.433 414 A N -0.680 122.108 122.820 -0.053 0.000 1.902 414 A HA -0.265 4.058 4.320 0.004 0.000 0.217 414 A C 2.208 179.967 177.584 0.291 0.000 1.181 414 A CA 1.545 53.812 52.037 0.383 0.000 0.623 414 A CB -0.520 18.697 19.000 0.362 0.000 0.818 414 A HN 0.449 nan 8.150 nan 0.000 0.443 415 Q N -0.705 119.239 119.800 0.240 0.000 2.112 415 Q HA -0.193 4.149 4.340 0.004 0.000 0.206 415 Q C 2.102 178.214 176.000 0.187 0.000 0.987 415 Q CA 1.659 57.602 55.803 0.234 0.000 0.858 415 Q CB -0.290 28.635 28.738 0.312 0.000 0.905 415 Q HN 0.720 nan 8.270 nan 0.000 0.420 416 L N -1.077 120.228 121.223 0.138 0.000 2.013 416 L HA -0.128 4.214 4.340 0.004 0.000 0.204 416 L C 2.188 179.120 176.870 0.103 0.000 1.081 416 L CA 0.731 55.572 54.840 0.002 0.000 0.751 416 L CB -0.594 41.343 42.059 -0.203 0.000 0.901 416 L HN 0.169 nan 8.230 nan 0.000 0.440 417 F N 1.088 121.077 119.950 0.066 0.000 2.079 417 F HA -0.404 4.125 4.527 0.004 0.000 0.296 417 F C 2.513 178.386 175.800 0.122 0.000 1.084 417 F CA 1.948 60.014 58.000 0.109 0.000 1.236 417 F CB -0.092 39.049 39.000 0.235 0.000 0.984 417 F HN -0.040 nan 8.300 nan 0.000 0.488 418 K N -0.845 119.759 120.400 0.340 0.000 1.965 418 K HA -0.155 4.168 4.320 0.004 0.000 0.214 418 K C 1.912 178.586 176.600 0.123 0.000 1.046 418 K CA 2.041 58.484 56.287 0.260 0.000 0.944 418 K CB -1.006 31.624 32.500 0.217 0.000 0.726 418 K HN 0.126 nan 8.250 nan 0.000 0.441 419 T N 2.092 116.699 114.554 0.088 0.000 2.792 419 T HA -0.177 4.175 4.350 0.004 0.000 0.268 419 T C 1.723 176.410 174.700 -0.023 0.000 1.059 419 T CA 1.242 63.361 62.100 0.031 0.000 1.136 419 T CB -0.141 68.744 68.868 0.030 0.000 0.846 419 T HN 0.139 nan 8.240 nan 0.000 0.489 420 L N -1.125 120.065 121.223 -0.054 0.000 2.221 420 L HA 0.201 4.544 4.340 0.004 0.000 0.202 420 L C 2.106 178.894 176.870 -0.136 0.000 1.074 420 L CA 0.507 55.273 54.840 -0.123 0.000 0.795 420 L CB -0.357 41.588 42.059 -0.191 0.000 0.960 420 L HN 0.170 nan 8.230 nan 0.000 0.458 421 F N 1.342 121.069 119.950 -0.373 0.000 2.333 421 F HA -0.156 4.374 4.527 0.004 0.000 0.300 421 F C 2.257 177.925 175.800 -0.222 0.000 1.083 421 F CA 1.305 59.071 58.000 -0.390 0.000 1.395 421 F CB -0.198 38.553 39.000 -0.415 0.000 1.056 421 F HN -0.120 nan 8.300 nan 0.000 0.529 422 K N 0.412 120.691 120.400 -0.201 0.000 1.984 422 K HA -0.153 4.170 4.320 0.004 0.000 0.209 422 K C 2.110 178.585 176.600 -0.209 0.000 1.046 422 K CA 1.565 57.710 56.287 -0.237 0.000 0.934 422 K CB -0.151 32.290 32.500 -0.098 0.000 0.717 422 K HN 0.146 nan 8.250 nan 0.000 0.438 423 K N 0.690 121.010 120.400 -0.133 0.000 2.173 423 K HA -0.215 4.107 4.320 0.004 0.000 0.207 423 K C 2.075 178.611 176.600 -0.106 0.000 1.046 423 K CA 1.117 57.346 56.287 -0.096 0.000 0.929 423 K CB -0.207 32.248 32.500 -0.074 0.000 0.720 423 K HN 0.047 nan 8.250 nan 0.000 0.453 424 L N 1.113 122.239 121.223 -0.161 0.000 1.973 424 L HA -0.178 4.165 4.340 0.004 0.000 0.208 424 L C 2.111 178.901 176.870 -0.133 0.000 1.073 424 L CA 1.951 56.708 54.840 -0.138 0.000 0.746 424 L CB -0.938 41.031 42.059 -0.151 0.000 0.891 424 L HN 0.106 nan 8.230 nan 0.000 0.433 425 T N 0.743 115.119 114.554 -0.297 0.000 2.505 425 T HA -0.344 4.008 4.350 0.004 0.000 0.259 425 T C 1.687 176.373 174.700 -0.024 0.000 1.158 425 T CA 2.519 64.503 62.100 -0.193 0.000 1.190 425 T CB -0.548 68.100 68.868 -0.367 0.000 0.864 425 T HN 0.553 nan 8.240 nan 0.000 0.413 426 K N 1.029 121.395 120.400 -0.057 0.000 2.218 426 K HA -0.185 4.138 4.320 0.004 0.000 0.205 426 K C 1.690 178.355 176.600 0.108 0.000 1.046 426 K CA 1.947 58.253 56.287 0.030 0.000 0.933 426 K CB -0.199 32.290 32.500 -0.017 0.000 0.728 426 K HN 0.265 nan 8.250 nan 0.000 0.454 427 D N 1.009 121.443 120.400 0.057 0.000 2.194 427 D HA 0.015 4.658 4.640 0.004 0.000 0.204 427 D C 1.971 178.344 176.300 0.122 0.000 0.964 427 D CA 0.782 54.826 54.000 0.074 0.000 0.846 427 D CB 0.076 40.891 40.800 0.025 0.000 0.962 427 D HN 0.305 nan 8.370 nan 0.000 0.490 428 I N 0.190 120.838 120.570 0.129 0.000 2.353 428 I HA -0.219 3.953 4.170 0.004 0.000 0.248 428 I C 2.178 178.448 176.117 0.255 0.000 1.119 428 I CA 0.380 61.779 61.300 0.165 0.000 1.417 428 I CB -0.095 38.000 38.000 0.158 0.000 1.078 428 I HN -0.099 nan 8.210 nan 0.000 0.421 429 F N 2.214 122.213 119.950 0.081 0.000 2.046 429 F HA -0.229 4.301 4.527 0.004 0.000 0.297 429 F C 2.693 178.537 175.800 0.075 0.000 1.123 429 F CA 1.705 59.745 58.000 0.067 0.000 1.199 429 F CB -0.418 38.603 39.000 0.034 0.000 0.972 429 F HN -0.140 nan 8.300 nan 0.000 0.474 430 R N -1.297 119.316 120.500 0.189 0.000 2.133 430 R HA -0.294 4.049 4.340 0.004 0.000 0.247 430 R C 2.162 178.478 176.300 0.027 0.000 1.151 430 R CA 2.007 58.148 56.100 0.069 0.000 0.971 430 R CB -1.200 29.166 30.300 0.111 0.000 0.866 430 R HN 0.459 nan 8.270 nan 0.000 0.447 431 Y N 1.437 121.718 120.300 -0.031 0.000 2.081 431 Y HA -0.279 4.274 4.550 0.004 0.000 0.280 431 Y C 2.216 178.066 175.900 -0.083 0.000 1.163 431 Y CA 1.925 60.002 58.100 -0.038 0.000 1.135 431 Y CB -0.269 38.186 38.460 -0.008 0.000 0.970 431 Y HN -0.054 nan 8.280 nan 0.000 0.498 432 M N -0.305 119.219 119.600 -0.125 0.000 2.132 432 M HA -0.257 4.226 4.480 0.004 0.000 0.263 432 M C 2.207 178.317 176.300 -0.317 0.000 1.065 432 M CA 1.881 57.026 55.300 -0.258 0.000 1.122 432 M CB -0.580 31.913 32.600 -0.178 0.000 1.365 432 M HN 0.288 nan 8.290 nan 0.000 0.411 433 Q N 0.464 120.038 119.800 -0.377 0.000 2.197 433 Q HA -0.160 4.183 4.340 0.004 0.000 0.207 433 Q C 1.545 177.419 176.000 -0.210 0.000 0.984 433 Q CA 1.355 56.965 55.803 -0.321 0.000 0.869 433 Q CB -0.166 28.389 28.738 -0.305 0.000 0.906 433 Q HN 0.527 nan 8.270 nan 0.000 0.426 434 R N -0.332 120.045 120.500 -0.205 0.000 2.356 434 R HA 0.088 4.431 4.340 0.004 0.000 0.234 434 R C -0.007 176.158 176.300 -0.225 0.000 0.929 434 R CA 0.240 56.237 56.100 -0.172 0.000 1.084 434 R CB 0.671 30.893 30.300 -0.129 0.000 1.105 434 R HN -0.089 nan 8.270 nan 0.000 0.515 435 T N 0.729 115.117 114.554 -0.278 0.000 3.390 435 T HA 0.144 4.497 4.350 0.004 0.000 0.351 435 T C 1.328 175.914 174.700 -0.191 0.000 1.759 435 T CA -0.290 61.637 62.100 -0.289 0.000 1.561 435 T CB 1.049 69.641 68.868 -0.461 0.000 1.011 435 T HN -0.150 nan 8.240 nan 0.000 0.689 436 V N 1.203 121.032 119.914 -0.142 0.000 2.220 436 V HA -0.145 3.978 4.120 0.004 0.000 0.242 436 V C 1.419 177.460 176.094 -0.087 0.000 1.041 436 V CA 1.245 63.483 62.300 -0.103 0.000 0.990 436 V CB -0.639 31.137 31.823 -0.079 0.000 0.634 436 V HN 0.814 nan 8.190 nan 0.000 0.452 447 A N -0.214 122.451 122.820 -0.258 0.000 3.629 447 A HA -0.087 4.236 4.320 0.004 0.000 0.224 447 A C 0.162 177.528 177.584 -0.363 0.000 1.104 447 A CA 0.728 52.416 52.037 -0.581 0.000 1.660 447 A CB -1.999 16.105 19.000 -1.494 0.000 0.911 447 A HN 0.447 nan 8.150 nan 0.000 0.805 448 I N 1.491 121.961 120.570 -0.167 0.000 2.325 448 I HA 0.228 4.401 4.170 0.004 0.000 0.291 448 I C 0.433 176.537 176.117 -0.022 0.000 1.019 448 I CA -0.405 60.857 61.300 -0.065 0.000 1.302 448 I CB 1.129 39.133 38.000 0.007 0.000 1.401 448 I HN 0.353 nan 8.210 nan 0.000 0.485 449 N N 5.389 124.075 118.700 -0.022 0.000 2.868 449 N HA 0.261 5.003 4.740 0.004 0.000 0.252 449 N C 0.975 176.486 175.510 0.002 0.000 1.130 449 N CA -0.061 52.988 53.050 -0.001 0.000 1.026 449 N CB 0.952 39.435 38.487 -0.006 0.000 1.335 449 N HN 0.710 nan 8.380 nan 0.000 0.516 450 A N 2.887 125.729 122.820 0.036 0.000 2.139 450 A HA -0.190 4.132 4.320 0.004 0.000 0.221 450 A C 2.167 179.755 177.584 0.006 0.000 1.159 450 A CA 1.069 53.112 52.037 0.009 0.000 0.662 450 A CB -0.411 18.691 19.000 0.170 0.000 0.796 450 A HN 0.576 nan 8.150 nan 0.000 0.463 451 K N 0.062 120.481 120.400 0.032 0.000 2.147 451 K HA -0.127 4.196 4.320 0.004 0.000 0.205 451 K C 1.639 178.229 176.600 -0.018 0.000 1.049 451 K CA 1.932 58.232 56.287 0.021 0.000 0.936 451 K CB -0.727 31.791 32.500 0.029 0.000 0.722 451 K HN 0.428 nan 8.250 nan 0.000 0.446 452 T N 1.875 116.408 114.554 -0.036 0.000 2.699 452 T HA -0.124 4.228 4.350 0.004 0.000 0.268 452 T C 2.015 176.662 174.700 -0.089 0.000 1.036 452 T CA 1.572 63.636 62.100 -0.059 0.000 1.147 452 T CB -0.035 68.794 68.868 -0.065 0.000 0.862 452 T HN 0.204 nan 8.240 nan 0.000 0.446 453 I N 0.396 120.896 120.570 -0.117 0.000 2.296 453 I HA -0.111 4.062 4.170 0.004 0.000 0.242 453 I C 2.760 178.811 176.117 -0.109 0.000 1.087 453 I CA 0.984 62.185 61.300 -0.165 0.000 1.393 453 I CB -0.489 37.362 38.000 -0.248 0.000 1.093 453 I HN 0.215 nan 8.210 nan 0.000 0.421 454 T N 0.561 115.069 114.554 -0.077 0.000 2.635 454 T HA -0.209 4.144 4.350 0.004 0.000 0.267 454 T C 1.985 176.675 174.700 -0.018 0.000 1.040 454 T CA 2.208 64.292 62.100 -0.027 0.000 1.156 454 T CB -0.349 68.535 68.868 0.026 0.000 0.863 454 T HN 0.487 nan 8.240 nan 0.000 0.430 455 S N 0.922 116.614 115.700 -0.013 0.000 2.453 455 S HA 0.067 4.539 4.470 0.004 0.000 0.231 455 S C 2.287 176.882 174.600 -0.008 0.000 1.005 455 S CA 1.139 59.338 58.200 -0.002 0.000 0.949 455 S CB -0.784 62.416 63.200 0.001 0.000 0.774 455 S HN 0.514 nan 8.310 nan 0.000 0.510 456 G N 2.558 111.331 108.800 -0.045 0.000 2.453 456 G HA2 -0.074 3.889 3.960 0.004 0.000 0.215 456 G HA3 -0.074 3.889 3.960 0.004 0.000 0.215 456 G C 1.444 176.292 174.900 -0.087 0.000 1.201 456 G CA 1.017 46.079 45.100 -0.064 0.000 0.784 456 G HN 0.505 nan 8.290 nan 0.000 0.545 457 L N 0.033 121.187 121.223 -0.115 0.000 2.042 457 L HA -0.122 4.220 4.340 0.004 0.000 0.210 457 L C 2.973 179.746 176.870 -0.162 0.000 1.076 457 L CA 1.475 56.214 54.840 -0.168 0.000 0.749 457 L CB -0.484 41.509 42.059 -0.110 0.000 0.893 457 L HN 0.209 nan 8.230 nan 0.000 0.432 458 K N -0.462 119.893 120.400 -0.075 0.000 1.978 458 K HA -0.263 4.060 4.320 0.004 0.000 0.214 458 K C 2.182 178.750 176.600 -0.053 0.000 1.049 458 K CA 1.948 58.208 56.287 -0.045 0.000 0.939 458 K CB -0.523 31.982 32.500 0.009 0.000 0.721 458 K HN 0.103 nan 8.250 nan 0.000 0.441 459 Y N 1.212 121.456 120.300 -0.094 0.000 2.271 459 Y HA -0.348 4.205 4.550 0.004 0.000 0.284 459 Y C 1.826 177.666 175.900 -0.101 0.000 1.189 459 Y CA 1.422 59.474 58.100 -0.080 0.000 1.229 459 Y CB -0.318 38.093 38.460 -0.082 0.000 0.973 459 Y HN 0.143 nan 8.280 nan 0.000 0.537 460 A N -0.766 121.841 122.820 -0.354 0.000 1.864 460 A HA -0.005 4.318 4.320 0.004 0.000 0.213 460 A C 1.935 179.387 177.584 -0.220 0.000 1.266 460 A CA 1.045 52.787 52.037 -0.492 0.000 0.612 460 A CB -1.123 17.295 19.000 -0.970 0.000 0.940 460 A HN 0.316 nan 8.150 nan 0.000 0.463 461 L N 0.079 121.188 121.223 -0.190 0.000 2.263 461 L HA -0.183 4.160 4.340 0.004 0.000 0.216 461 L C 2.704 179.576 176.870 0.003 0.000 1.111 461 L CA 1.818 56.647 54.840 -0.019 0.000 0.773 461 L CB -0.785 41.194 42.059 -0.134 0.000 0.906 461 L HN 0.464 nan 8.230 nan 0.000 0.439 462 A N -2.528 120.249 122.820 -0.072 0.000 1.943 462 A HA -0.024 4.299 4.320 0.004 0.000 0.213 462 A C 2.248 179.781 177.584 -0.085 0.000 1.181 462 A CA 1.567 53.572 52.037 -0.053 0.000 0.653 462 A CB -0.359 18.613 19.000 -0.047 0.000 0.833 462 A HN 0.385 nan 8.150 nan 0.000 0.451 463 T N -1.829 112.598 114.554 -0.211 0.000 3.004 463 T HA 0.392 4.744 4.350 0.004 0.000 0.243 463 T C 1.393 176.048 174.700 -0.074 0.000 1.020 463 T CA 1.111 63.082 62.100 -0.215 0.000 1.145 463 T CB 0.215 68.753 68.868 -0.549 0.000 0.876 463 T HN 1.371 nan 8.240 nan 0.000 0.449 464 G N 1.983 110.790 108.800 0.011 0.000 2.138 464 G HA2 -0.180 3.783 3.960 0.004 0.000 0.193 464 G HA3 -0.180 3.783 3.960 0.004 0.000 0.193 464 G C -0.056 174.950 174.900 0.178 0.000 0.998 464 G CA -0.466 44.720 45.100 0.144 0.000 0.668 464 G HN 0.411 nan 8.290 nan 0.000 0.516 465 N N 0.643 119.413 118.700 0.117 0.000 3.044 465 N HA 0.196 4.939 4.740 0.004 0.000 0.254 465 N C 1.142 176.801 175.510 0.248 0.000 1.253 465 N CA -0.498 52.642 53.050 0.150 0.000 0.944 465 N CB 0.179 38.712 38.487 0.077 0.000 1.217 465 N HN 0.489 nan 8.380 nan 0.000 0.498 466 W N 1.672 122.962 121.300 -0.016 0.000 2.322 466 W HA -0.134 4.529 4.660 0.004 0.000 0.326 466 W C 1.150 177.697 176.519 0.047 0.000 1.224 466 W CA 1.612 58.963 57.345 0.010 0.000 1.257 466 W CB 0.096 29.556 29.460 0.001 0.000 1.174 466 W HN 0.427 nan 8.180 nan 0.000 0.460 478 G N -0.910 107.894 108.800 0.007 0.000 2.218 478 G HA2 -0.055 3.907 3.960 0.004 0.000 0.216 478 G HA3 -0.055 3.907 3.960 0.004 0.000 0.216 478 G C 0.422 175.297 174.900 -0.043 0.000 0.994 478 G CA 0.282 45.376 45.100 -0.010 0.000 0.637 478 G HN 1.328 nan 8.290 nan 0.000 0.505 479 V N 1.020 120.868 119.914 -0.110 0.000 3.432 479 V HA 0.525 4.647 4.120 0.004 0.000 0.304 479 V C 1.570 177.603 176.094 -0.102 0.000 1.107 479 V CA 0.945 63.111 62.300 -0.224 0.000 1.153 479 V CB 1.153 32.613 31.823 -0.604 0.000 1.072 479 V HN 2.024 nan 8.190 nan 0.000 0.485 480 S N 1.560 117.200 115.700 -0.100 0.000 3.394 480 S HA -0.167 4.305 4.470 0.004 0.000 0.490 480 S C -0.483 174.142 174.600 0.042 0.000 0.702 480 S CA 0.751 58.966 58.200 0.026 0.000 1.358 480 S CB -0.712 62.581 63.200 0.155 0.000 1.128 480 S HN 0.814 nan 8.310 nan 0.000 0.775 481 Q N 2.662 122.483 119.800 0.035 0.000 2.399 481 Q HA 0.645 4.987 4.340 0.004 0.000 0.276 481 Q C -0.310 175.745 176.000 0.092 0.000 1.098 481 Q CA -1.227 54.627 55.803 0.085 0.000 0.827 481 Q CB 1.660 30.498 28.738 0.166 0.000 1.386 481 Q HN 0.437 nan 8.270 nan 0.000 0.443 482 V N 2.386 122.358 119.914 0.097 0.000 2.425 482 V HA -0.049 4.073 4.120 0.004 0.000 0.276 482 V C 0.289 176.436 176.094 0.089 0.000 1.017 482 V CA -0.105 62.231 62.300 0.061 0.000 1.062 482 V CB -0.610 31.231 31.823 0.031 0.000 0.997 482 V HN 0.567 nan 8.190 nan 0.000 0.476 483 L N 5.520 126.750 121.223 0.012 0.000 2.605 483 L HA -0.018 4.325 4.340 0.004 0.000 0.296 483 L C 0.478 177.356 176.870 0.013 0.000 1.255 483 L CA 0.843 55.688 54.840 0.009 0.000 0.879 483 L CB -0.225 41.668 42.059 -0.277 0.000 1.124 483 L HN 0.740 nan 8.230 nan 0.000 0.507 484 N N 2.398 121.182 118.700 0.140 0.000 2.530 484 N HA 0.374 5.116 4.740 0.004 0.000 0.273 484 N C -0.208 175.176 175.510 -0.210 0.000 1.173 484 N CA 0.002 53.023 53.050 -0.048 0.000 0.967 484 N CB 0.557 39.068 38.487 0.041 0.000 1.109 484 N HN 0.484 nan 8.380 nan 0.000 0.453 485 R N 1.657 121.830 120.500 -0.544 0.000 2.617 485 R HA 0.234 4.576 4.340 0.004 0.000 0.432 485 R C -0.301 175.577 176.300 -0.704 0.000 1.018 485 R CA -0.079 55.712 56.100 -0.515 0.000 1.077 485 R CB -0.242 29.727 30.300 -0.551 0.000 1.394 485 R HN 0.632 nan 8.270 nan 0.000 0.608 486 Y N -2.034 118.137 120.300 -0.216 0.000 2.269 486 Y HA 0.305 4.858 4.550 0.004 0.000 0.294 486 Y C 0.797 176.663 175.900 -0.056 0.000 1.120 486 Y CA 0.461 58.446 58.100 -0.191 0.000 1.159 486 Y CB 0.541 38.916 38.460 -0.141 0.000 1.024 486 Y HN -0.212 nan 8.280 nan 0.000 0.532 487 T N -1.002 113.663 114.554 0.185 0.000 2.912 487 T HA 0.116 4.469 4.350 0.004 0.000 0.299 487 T C -0.140 174.676 174.700 0.192 0.000 1.052 487 T CA -0.722 61.490 62.100 0.187 0.000 0.996 487 T CB 1.346 70.301 68.868 0.146 0.000 1.070 487 T HN 0.101 nan 8.240 nan 0.000 0.465 488 Y N 2.975 123.318 120.300 0.072 0.000 2.173 488 Y HA -0.251 4.302 4.550 0.004 0.000 0.282 488 Y C 2.549 178.487 175.900 0.064 0.000 1.192 488 Y CA 2.537 60.661 58.100 0.040 0.000 1.176 488 Y CB -0.253 38.167 38.460 -0.067 0.000 0.969 488 Y HN 0.677 nan 8.280 nan 0.000 0.519 489 S N -1.540 114.187 115.700 0.045 0.000 2.436 489 S HA -0.136 4.337 4.470 0.004 0.000 0.228 489 S C 2.256 176.844 174.600 -0.020 0.000 1.014 489 S CA 0.789 58.987 58.200 -0.004 0.000 0.950 489 S CB -1.005 62.289 63.200 0.157 0.000 0.784 489 S HN 0.576 nan 8.310 nan 0.000 0.504 490 S N 2.123 117.841 115.700 0.030 0.000 2.356 490 S HA -0.160 4.313 4.470 0.004 0.000 0.223 490 S C 1.923 176.531 174.600 0.013 0.000 1.032 490 S CA 1.806 60.031 58.200 0.041 0.000 1.005 490 S CB -1.694 61.584 63.200 0.131 0.000 0.867 490 S HN 0.569 nan 8.310 nan 0.000 0.449 491 T N 3.206 117.743 114.554 -0.028 0.000 2.684 491 T HA 0.018 4.370 4.350 0.004 0.000 0.267 491 T C 1.785 176.431 174.700 -0.091 0.000 1.036 491 T CA 1.683 63.745 62.100 -0.062 0.000 1.148 491 T CB -0.626 68.178 68.868 -0.108 0.000 0.863 491 T HN 0.339 nan 8.240 nan 0.000 0.436 492 L N 0.722 121.833 121.223 -0.188 0.000 1.989 492 L HA -0.129 4.213 4.340 0.004 0.000 0.211 492 L C 2.904 179.742 176.870 -0.053 0.000 1.071 492 L CA 1.296 56.044 54.840 -0.154 0.000 0.749 492 L CB -0.722 41.214 42.059 -0.205 0.000 0.890 492 L HN 0.259 nan 8.230 nan 0.000 0.431 493 S N -1.536 114.146 115.700 -0.031 0.000 2.400 493 S HA -0.266 4.207 4.470 0.004 0.000 0.232 493 S C 1.969 176.608 174.600 0.066 0.000 1.025 493 S CA 1.305 59.508 58.200 0.004 0.000 0.993 493 S CB -0.369 62.828 63.200 -0.004 0.000 0.808 493 S HN 0.508 nan 8.310 nan 0.000 0.478 494 H N -0.005 119.033 119.070 -0.052 0.000 2.363 494 H HA 0.104 4.663 4.556 0.004 0.000 0.301 494 H C 1.954 177.253 175.328 -0.049 0.000 1.074 494 H CA 1.271 57.291 56.048 -0.046 0.000 1.354 494 H CB -0.049 29.683 29.762 -0.049 0.000 1.397 494 H HN 0.326 nan 8.280 nan 0.000 0.516 495 L N 0.311 121.534 121.223 -0.001 0.000 2.265 495 L HA -0.115 4.228 4.340 0.004 0.000 0.215 495 L C 1.643 178.483 176.870 -0.050 0.000 1.117 495 L CA 0.925 55.721 54.840 -0.075 0.000 0.782 495 L CB -0.096 41.933 42.059 -0.050 0.000 0.914 495 L HN 0.209 nan 8.230 nan 0.000 0.441 496 R N -0.301 120.189 120.500 -0.018 0.000 2.586 496 R HA 0.151 4.494 4.340 0.004 0.000 0.306 496 R C 0.368 176.662 176.300 -0.011 0.000 1.079 496 R CA -0.244 55.844 56.100 -0.019 0.000 1.083 496 R CB 0.319 30.611 30.300 -0.014 0.000 1.306 496 R HN 0.164 nan 8.270 nan 0.000 0.567 497 R N -0.015 120.487 120.500 0.003 0.000 2.528 497 R HA 0.240 4.582 4.340 0.004 0.000 0.271 497 R C -0.726 175.571 176.300 -0.005 0.000 1.056 497 R CA 0.265 56.376 56.100 0.018 0.000 1.117 497 R CB 1.219 31.575 30.300 0.092 0.000 1.085 497 R HN -0.170 nan 8.270 nan 0.000 0.530 498 T N 2.202 116.755 114.554 -0.002 0.000 2.916 498 T HA 0.282 4.635 4.350 0.004 0.000 0.298 498 T C -1.495 173.203 174.700 -0.003 0.000 1.031 498 T CA -0.733 61.365 62.100 -0.003 0.000 0.993 498 T CB 1.271 70.148 68.868 0.016 0.000 1.045 498 T HN 0.642 nan 8.240 nan 0.000 0.454 499 N N 1.003 119.697 118.700 -0.010 0.000 2.272 499 N HA 0.582 5.324 4.740 0.004 0.000 0.305 499 N C -1.423 174.084 175.510 -0.005 0.000 1.103 499 N CA -0.467 52.577 53.050 -0.010 0.000 0.791 499 N CB 1.789 40.262 38.487 -0.023 0.000 1.356 499 N HN 0.409 nan 8.380 nan 0.000 0.486 500 T N 4.037 118.594 114.554 0.004 0.000 3.009 500 T HA 0.388 4.740 4.350 0.004 0.000 0.346 500 T C -2.456 172.247 174.700 0.005 0.000 1.092 500 T CA -0.828 61.280 62.100 0.014 0.000 1.080 500 T CB 1.211 70.102 68.868 0.039 0.000 1.037 500 T HN 0.510 nan 8.240 nan 0.000 0.487 501 P HA 0.221 nan 4.420 nan 0.000 0.273 501 P C 0.545 177.845 177.300 0.001 0.000 1.248 501 P CA -0.175 62.923 63.100 -0.004 0.000 0.817 501 P CB 0.643 32.338 31.700 -0.008 0.000 0.995 510 K N 1.408 121.786 120.400 -0.037 0.000 2.464 510 K HA 0.484 4.806 4.320 0.004 0.000 0.252 510 K C -2.407 174.189 176.600 -0.007 0.000 1.000 510 K CA -1.295 54.983 56.287 -0.015 0.000 0.951 510 K CB 2.431 34.928 32.500 -0.005 0.000 1.183 510 K HN 0.240 nan 8.250 nan 0.000 0.445 511 P HA 0.053 nan 4.420 nan 0.000 0.281 511 P C 0.011 177.341 177.300 0.050 0.000 1.291 511 P CA 0.050 63.167 63.100 0.028 0.000 0.906 511 P CB 0.577 32.292 31.700 0.024 0.000 1.388 512 R N -1.146 119.375 120.500 0.036 0.000 2.362 512 R HA 0.281 4.623 4.340 0.004 0.000 0.227 512 R C 0.560 176.887 176.300 0.045 0.000 0.905 512 R CA -0.338 55.782 56.100 0.035 0.000 1.067 512 R CB -0.337 29.973 30.300 0.018 0.000 1.078 512 R HN 0.022 nan 8.270 nan 0.000 0.516 513 Q N 1.839 121.673 119.800 0.057 0.000 2.352 513 Q HA 0.132 4.474 4.340 0.004 0.000 0.260 513 Q C -0.679 175.391 176.000 0.117 0.000 0.976 513 Q CA -0.358 55.484 55.803 0.066 0.000 0.881 513 Q CB 0.986 29.761 28.738 0.062 0.000 1.235 513 Q HN 0.149 nan 8.270 nan 0.000 0.419 514 L N 3.874 125.159 121.223 0.104 0.000 2.410 514 L HA 0.241 4.584 4.340 0.004 0.000 0.273 514 L C -1.167 175.803 176.870 0.166 0.000 1.152 514 L CA 0.341 55.280 54.840 0.166 0.000 0.855 514 L CB 0.294 42.402 42.059 0.082 0.000 1.129 514 L HN 0.732 nan 8.230 nan 0.000 0.463 515 H N 3.927 123.032 119.070 0.058 0.000 2.495 515 H HA 0.426 4.984 4.556 0.004 0.000 0.348 515 H C 0.970 176.161 175.328 -0.228 0.000 1.113 515 H CA -0.314 55.602 56.048 -0.219 0.000 1.195 515 H CB 0.933 30.412 29.762 -0.471 0.000 1.521 515 H HN 0.768 nan 8.280 nan 0.000 0.509 516 N N 1.640 119.842 118.700 -0.829 0.000 2.150 516 N HA -0.317 4.426 4.740 0.004 0.000 0.196 516 N C 1.574 176.874 175.510 -0.351 0.000 0.982 516 N CA 3.074 55.787 53.050 -0.562 0.000 0.896 516 N CB -0.795 37.301 38.487 -0.652 0.000 1.077 516 N HN 0.839 nan 8.380 nan 0.000 0.621 517 T N -0.787 113.509 114.554 -0.430 0.000 2.848 517 T HA -0.191 4.162 4.350 0.004 0.000 0.269 517 T C 1.506 176.236 174.700 0.051 0.000 1.081 517 T CA 1.334 63.365 62.100 -0.115 0.000 1.125 517 T CB -0.543 68.238 68.868 -0.144 0.000 0.848 517 T HN 0.276 nan 8.240 nan 0.000 0.503 518 H N -0.407 118.655 119.070 -0.013 0.000 2.456 518 H HA 0.062 4.621 4.556 0.004 0.000 0.296 518 H C 1.053 176.373 175.328 -0.014 0.000 1.079 518 H CA 0.345 56.305 56.048 -0.147 0.000 1.322 518 H CB -0.738 28.889 29.762 -0.224 0.000 1.388 518 H HN 0.605 nan 8.280 nan 0.000 0.538 519 W N 2.202 123.496 121.300 -0.010 0.000 2.409 519 W HA 0.119 4.782 4.660 0.005 0.000 0.338 519 W C 1.011 177.520 176.519 -0.017 0.000 1.273 519 W CA 1.876 59.204 57.345 -0.029 0.000 1.299 519 W CB -0.010 29.416 29.460 -0.055 0.000 1.192 519 W HN 0.505 nan 8.180 nan 0.000 0.565 520 G N 3.769 112.269 108.800 -0.499 0.000 2.299 520 G HA2 -0.341 3.622 3.960 0.004 0.000 0.237 520 G HA3 -0.341 3.622 3.960 0.004 0.000 0.237 520 G C 0.800 175.614 174.900 -0.143 0.000 1.027 520 G CA 0.570 45.472 45.100 -0.330 0.000 0.619 520 G HN 0.565 nan 8.290 nan 0.000 0.513 521 L N -0.167 121.025 121.223 -0.052 0.000 2.347 521 L HA 0.403 4.745 4.340 0.004 0.000 0.196 521 L C 1.003 177.818 176.870 -0.091 0.000 1.072 521 L CA 0.547 55.379 54.840 -0.014 0.000 0.817 521 L CB 0.000 42.161 42.059 0.170 0.000 1.029 521 L HN 0.134 nan 8.230 nan 0.000 0.478 522 V N -0.502 119.300 119.914 -0.187 0.000 2.581 522 V HA 0.194 4.317 4.120 0.004 0.000 0.303 522 V C -0.096 175.872 176.094 -0.210 0.000 1.041 522 V CA -1.292 60.859 62.300 -0.248 0.000 0.907 522 V CB 2.184 33.713 31.823 -0.490 0.000 0.994 522 V HN 0.293 nan 8.190 nan 0.000 0.442 523 C N 7.668 126.868 119.300 -0.167 0.000 2.633 523 C HA 0.182 4.644 4.460 0.004 0.000 0.415 523 C C 0.171 175.085 174.990 -0.127 0.000 1.393 523 C CA -0.583 58.355 59.018 -0.134 0.000 1.700 523 C CB 0.102 27.782 27.740 -0.100 0.000 2.541 523 C HN 0.882 nan 8.230 nan 0.000 0.603 524 P HA -0.032 nan 4.420 nan 0.000 0.221 524 P C 0.948 178.217 177.300 -0.052 0.000 1.150 524 P CA 2.218 65.282 63.100 -0.060 0.000 0.800 524 P CB 0.179 31.861 31.700 -0.029 0.000 0.787 525 A N 0.396 123.181 122.820 -0.057 0.000 1.919 525 A HA 0.044 4.367 4.320 0.004 0.000 0.211 525 A C 1.253 178.803 177.584 -0.056 0.000 1.310 525 A CA -0.052 51.952 52.037 -0.055 0.000 0.651 525 A CB -1.151 17.819 19.000 -0.051 0.000 0.996 525 A HN 0.169 nan 8.150 nan 0.000 0.479 526 E N 0.941 121.107 120.200 -0.057 0.000 2.729 526 E HA 0.209 4.561 4.350 0.004 0.000 0.246 526 E C -0.461 176.108 176.600 -0.051 0.000 0.984 526 E CA 0.892 57.262 56.400 -0.050 0.000 0.951 526 E CB -0.079 29.590 29.700 -0.051 0.000 0.914 526 E HN 0.349 nan 8.360 nan 0.000 0.509 527 T N 4.837 119.370 114.554 -0.035 0.000 3.168 527 T HA 0.254 4.607 4.350 0.004 0.000 0.373 527 T C -2.906 171.787 174.700 -0.011 0.000 1.681 527 T CA -1.249 60.832 62.100 -0.031 0.000 1.135 527 T CB 1.214 70.060 68.868 -0.037 0.000 1.477 527 T HN 0.375 nan 8.240 nan 0.000 0.480 528 P HA 0.340 nan 4.420 nan 0.000 0.274 528 P C -0.568 176.740 177.300 0.012 0.000 1.231 528 P CA -0.213 62.884 63.100 -0.005 0.000 0.790 528 P CB 0.709 32.398 31.700 -0.019 0.000 0.951 529 E N 0.248 120.462 120.200 0.023 0.000 2.349 529 E HA 0.399 4.751 4.350 0.004 0.000 0.262 529 E C 1.084 177.691 176.600 0.012 0.000 1.088 529 E CA -0.407 56.016 56.400 0.038 0.000 0.899 529 E CB 0.077 29.806 29.700 0.048 0.000 1.044 529 E HN 0.714 nan 8.360 nan 0.000 0.420 530 G N 1.685 110.494 108.800 0.016 0.000 2.602 530 G HA2 -0.494 3.469 3.960 0.004 0.000 0.306 530 G HA3 -0.494 3.469 3.960 0.004 0.000 0.306 530 G C 0.855 175.754 174.900 -0.002 0.000 1.301 530 G CA 1.061 46.163 45.100 0.004 0.000 0.974 530 G HN 0.897 nan 8.290 nan 0.000 0.547 531 Q N -1.723 118.073 119.800 -0.007 0.000 2.747 531 Q HA -0.377 3.966 4.340 0.004 0.000 0.351 531 Q C 2.178 178.174 176.000 -0.006 0.000 0.734 531 Q CA 3.419 59.218 55.803 -0.008 0.000 1.029 531 Q CB -1.537 27.194 28.738 -0.012 0.000 1.116 531 Q HN 2.224 nan 8.270 nan 0.000 0.846 532 A N 0.345 123.161 122.820 -0.007 0.000 2.507 532 A HA 0.306 4.629 4.320 0.004 0.000 0.270 532 A C 0.480 178.060 177.584 -0.005 0.000 1.318 532 A CA 0.049 52.083 52.037 -0.006 0.000 0.924 532 A CB -0.118 18.877 19.000 -0.008 0.000 1.061 532 A HN 0.572 nan 8.150 nan 0.000 0.516 533 C N 0.138 119.436 119.300 -0.002 0.000 2.538 533 C HA 0.384 4.846 4.460 0.004 0.000 0.408 533 C C 2.016 177.005 174.990 -0.002 0.000 1.421 533 C CA 1.523 60.541 59.018 -0.000 0.000 1.642 533 C CB -1.330 26.415 27.740 0.008 0.000 2.553 533 C HN 1.740 nan 8.230 nan 0.000 0.604 534 G N 4.349 113.144 108.800 -0.010 0.000 2.284 534 G HA2 -0.282 3.681 3.960 0.004 0.000 0.261 534 G HA3 -0.282 3.681 3.960 0.004 0.000 0.261 534 G C 0.641 175.536 174.900 -0.008 0.000 0.997 534 G CA 0.797 45.891 45.100 -0.009 0.000 0.621 534 G HN 0.781 nan 8.290 nan 0.000 0.534 535 L N 0.143 121.363 121.223 -0.005 0.000 2.168 535 L HA 0.218 4.561 4.340 0.004 0.000 0.203 535 L C 1.298 178.164 176.870 -0.007 0.000 1.078 535 L CA 0.581 55.422 54.840 0.001 0.000 0.780 535 L CB -0.200 41.860 42.059 0.003 0.000 0.939 535 L HN 0.133 nan 8.230 nan 0.000 0.451 536 V N 1.612 121.517 119.914 -0.015 0.000 2.408 536 V HA 0.167 4.289 4.120 0.004 0.000 0.267 536 V C 0.043 176.115 176.094 -0.038 0.000 1.047 536 V CA -0.246 62.043 62.300 -0.018 0.000 0.937 536 V CB 0.709 32.523 31.823 -0.015 0.000 0.999 536 V HN 0.210 nan 8.190 nan 0.000 0.472 537 K N 3.541 123.913 120.400 -0.046 0.000 2.313 537 K HA 0.545 4.868 4.320 0.004 0.000 0.235 537 K C -0.626 175.936 176.600 -0.063 0.000 1.035 537 K CA -0.997 55.238 56.287 -0.087 0.000 0.868 537 K CB 1.766 34.180 32.500 -0.145 0.000 1.232 537 K HN 0.538 nan 8.250 nan 0.000 0.459 538 N N 1.504 120.153 118.700 -0.085 0.000 2.480 538 N HA 0.258 5.000 4.740 0.004 0.000 0.289 538 N C -1.118 174.347 175.510 -0.075 0.000 1.073 538 N CA -0.365 52.649 53.050 -0.060 0.000 0.885 538 N CB 1.231 39.687 38.487 -0.053 0.000 1.421 538 N HN 0.382 nan 8.380 nan 0.000 0.503 539 L N 1.668 122.859 121.223 -0.052 0.000 2.485 539 L HA 0.135 4.477 4.340 0.004 0.000 0.275 539 L C 1.349 178.180 176.870 -0.065 0.000 1.207 539 L CA 0.068 54.874 54.840 -0.056 0.000 0.855 539 L CB 0.240 42.273 42.059 -0.042 0.000 1.114 539 L HN 0.369 nan 8.230 nan 0.000 0.485 540 S N 1.911 117.560 115.700 -0.086 0.000 2.617 540 S HA 0.176 4.649 4.470 0.004 0.000 0.255 540 S C 1.450 176.019 174.600 -0.051 0.000 1.318 540 S CA -0.663 57.484 58.200 -0.088 0.000 0.978 540 S CB 0.588 63.706 63.200 -0.137 0.000 0.961 540 S HN 0.476 nan 8.310 nan 0.000 0.582 541 L N 0.265 121.475 121.223 -0.022 0.000 2.027 541 L HA -0.033 4.309 4.340 0.004 0.000 0.206 541 L C 2.017 178.914 176.870 0.045 0.000 1.074 541 L CA 1.308 56.204 54.840 0.092 0.000 0.745 541 L CB -0.383 41.782 42.059 0.177 0.000 0.898 541 L HN 0.587 nan 8.230 nan 0.000 0.433 542 M N 0.212 119.697 119.600 -0.191 0.000 2.568 542 M HA 0.071 4.554 4.480 0.004 0.000 0.226 542 M C 0.659 176.732 176.300 -0.378 0.000 1.148 542 M CA -0.054 54.921 55.300 -0.542 0.000 1.007 542 M CB -0.174 31.961 32.600 -0.775 0.000 1.651 542 M HN 0.224 nan 8.290 nan 0.000 0.488 543 S N -0.536 115.033 115.700 -0.219 0.000 2.601 543 S HA 0.491 4.963 4.470 0.004 0.000 0.271 543 S C -0.080 174.335 174.600 -0.308 0.000 1.305 543 S CA -0.841 57.211 58.200 -0.247 0.000 1.022 543 S CB 1.579 64.680 63.200 -0.164 0.000 0.940 543 S HN 0.365 nan 8.310 nan 0.000 0.525 544 C N 1.042 119.978 119.300 -0.607 0.000 3.318 544 C HA 0.695 5.158 4.460 0.004 0.000 0.329 544 C C -0.727 173.774 174.990 -0.815 0.000 1.449 544 C CA -0.884 57.691 59.018 -0.738 0.000 1.397 544 C CB 1.013 28.152 27.740 -1.003 0.000 1.810 544 C HN 0.928 nan 8.230 nan 0.000 0.449 545 I N 1.810 122.114 120.570 -0.444 0.000 2.534 545 I HA 0.263 4.436 4.170 0.004 0.000 0.288 545 I C 0.177 176.381 176.117 0.146 0.000 1.077 545 I CA 0.047 61.270 61.300 -0.128 0.000 1.051 545 I CB 2.083 40.027 38.000 -0.093 0.000 1.234 545 I HN 0.824 nan 8.210 nan 0.000 0.425 546 S N 4.316 120.204 115.700 0.313 0.000 2.593 546 S HA 0.040 4.513 4.470 0.004 0.000 0.300 546 S C 0.544 175.182 174.600 0.063 0.000 1.267 546 S CA -0.417 57.888 58.200 0.174 0.000 1.065 546 S CB 1.378 64.621 63.200 0.071 0.000 0.807 546 S HN 0.501 nan 8.310 nan 0.000 0.499 547 V N 3.255 123.186 119.914 0.029 0.000 3.307 547 V HA 0.435 4.557 4.120 0.004 0.000 0.253 547 V C 1.202 177.281 176.094 -0.025 0.000 1.149 547 V CA 1.245 63.542 62.300 -0.005 0.000 1.112 547 V CB -0.519 31.286 31.823 -0.030 0.000 0.777 547 V HN 1.585 nan 8.190 nan 0.000 0.464 548 G N 0.132 108.915 108.800 -0.030 0.000 3.367 548 G HA2 -0.043 3.920 3.960 0.004 0.000 0.686 548 G HA3 -0.043 3.920 3.960 0.004 0.000 0.686 548 G C -0.446 174.419 174.900 -0.059 0.000 1.146 548 G CA -0.235 44.846 45.100 -0.031 0.000 0.913 548 G HN 0.226 nan 8.290 nan 0.000 0.554 549 T N 1.830 116.361 114.554 -0.038 0.000 2.930 549 T HA 0.587 4.940 4.350 0.004 0.000 0.290 549 T C -0.371 174.318 174.700 -0.019 0.000 1.052 549 T CA -0.538 61.535 62.100 -0.046 0.000 1.017 549 T CB 1.888 70.730 68.868 -0.045 0.000 1.137 549 T HN 0.660 nan 8.240 nan 0.000 0.511 550 D N 1.995 122.388 120.400 -0.012 0.000 2.348 550 D HA 0.160 4.803 4.640 0.004 0.000 0.253 550 D C -1.235 175.064 176.300 -0.002 0.000 1.161 550 D CA -1.890 52.112 54.000 0.004 0.000 0.876 550 D CB 1.553 42.361 40.800 0.015 0.000 1.160 550 D HN 0.131 nan 8.370 nan 0.000 0.459 551 P HA -0.067 nan 4.420 nan 0.000 0.224 551 P C 1.812 179.099 177.300 -0.020 0.000 1.157 551 P CA 0.559 63.655 63.100 -0.006 0.000 0.799 551 P CB 0.385 32.094 31.700 0.016 0.000 0.809 552 M N 1.154 120.753 119.600 -0.002 0.000 2.226 552 M HA -0.134 4.348 4.480 0.004 0.000 0.257 552 M C -0.245 176.057 176.300 0.003 0.000 1.070 552 M CA 3.258 58.559 55.300 0.002 0.000 1.087 552 M CB -2.596 30.013 32.600 0.015 0.000 1.278 552 M HN 0.001 nan 8.290 nan 0.000 0.426 553 P HA -0.185 nan 4.420 nan 0.000 0.219 553 P C 1.327 178.647 177.300 0.033 0.000 1.144 553 P CA 1.733 64.846 63.100 0.022 0.000 0.806 553 P CB -0.338 31.365 31.700 0.006 0.000 0.771 554 I N -0.712 119.854 120.570 -0.007 0.000 2.385 554 I HA -0.102 4.071 4.170 0.004 0.000 0.244 554 I C 2.648 178.774 176.117 0.014 0.000 1.089 554 I CA 0.700 61.994 61.300 -0.010 0.000 1.410 554 I CB -0.477 37.479 38.000 -0.073 0.000 1.117 554 I HN -0.210 nan 8.210 nan 0.000 0.429 555 I N 0.657 121.186 120.570 -0.069 0.000 2.315 555 I HA -0.303 3.870 4.170 0.004 0.000 0.251 555 I C 2.456 178.556 176.117 -0.028 0.000 1.125 555 I CA 1.383 62.600 61.300 -0.137 0.000 1.392 555 I CB -0.792 37.079 38.000 -0.215 0.000 1.065 555 I HN 0.294 nan 8.210 nan 0.000 0.424 556 T N 0.881 115.453 114.554 0.030 0.000 2.623 556 T HA -0.171 4.181 4.350 0.004 0.000 0.254 556 T C 1.667 176.421 174.700 0.090 0.000 1.075 556 T CA 1.336 63.470 62.100 0.057 0.000 1.177 556 T CB -0.481 68.430 68.868 0.072 0.000 0.869 556 T HN 0.324 nan 8.240 nan 0.000 0.403 557 F N 1.714 121.667 119.950 0.005 0.000 2.106 557 F HA -0.251 4.279 4.527 0.004 0.000 0.299 557 F C 1.907 177.737 175.800 0.050 0.000 1.082 557 F CA 1.401 59.423 58.000 0.036 0.000 1.244 557 F CB -0.485 38.475 39.000 -0.066 0.000 0.997 557 F HN 0.114 nan 8.300 nan 0.000 0.486 558 L N -0.075 121.215 121.223 0.111 0.000 1.970 558 L HA -0.276 4.067 4.340 0.004 0.000 0.212 558 L C 2.789 179.600 176.870 -0.099 0.000 1.071 558 L CA 1.869 56.700 54.840 -0.016 0.000 0.751 558 L CB -1.141 40.899 42.059 -0.033 0.000 0.889 558 L HN 0.365 nan 8.230 nan 0.000 0.432 559 S N -1.185 114.479 115.700 -0.060 0.000 2.500 559 S HA -0.179 4.294 4.470 0.004 0.000 0.239 559 S C 1.494 176.051 174.600 -0.071 0.000 0.989 559 S CA 0.945 59.111 58.200 -0.058 0.000 0.951 559 S CB -0.338 62.848 63.200 -0.023 0.000 0.759 559 S HN 0.452 nan 8.310 nan 0.000 0.523 560 E N -0.871 119.283 120.200 -0.078 0.000 2.465 560 E HA 0.098 4.451 4.350 0.004 0.000 0.191 560 E C -0.771 175.704 176.600 -0.209 0.000 1.053 560 E CA -0.080 56.254 56.400 -0.110 0.000 0.869 560 E CB 0.206 29.870 29.700 -0.060 0.000 0.977 560 E HN 0.758 nan 8.360 nan 0.000 0.483 561 W N -0.064 120.998 121.300 -0.396 0.000 1.190 561 W HA 0.322 4.984 4.660 0.004 0.000 0.276 561 W C 0.588 176.967 176.519 -0.234 0.000 0.867 561 W CA 0.062 57.208 57.345 -0.331 0.000 2.129 561 W CB 0.865 30.040 29.460 -0.475 0.000 1.207 561 W HN 0.146 nan 8.180 nan 0.000 0.477 562 G N 0.827 109.612 108.800 -0.025 0.000 2.713 562 G HA2 -0.158 3.805 3.960 0.004 0.000 0.215 562 G HA3 -0.158 3.805 3.960 0.004 0.000 0.215 562 G C 0.355 175.222 174.900 -0.055 0.000 1.265 562 G CA -0.125 45.019 45.100 0.073 0.000 1.204 562 G HN 0.532 nan 8.290 nan 0.000 0.545 563 M N 1.440 120.925 119.600 -0.192 0.000 2.460 563 M HA -0.124 4.358 4.480 0.004 0.000 0.182 563 M C -0.096 176.182 176.300 -0.038 0.000 0.903 563 M CA 1.568 56.797 55.300 -0.118 0.000 0.555 563 M CB -1.506 31.000 32.600 -0.157 0.000 1.106 563 M HN 0.550 nan 8.290 nan 0.000 0.867 564 E N 4.128 124.332 120.200 0.008 0.000 2.415 564 E HA 0.119 4.472 4.350 0.004 0.000 0.260 564 E C -1.934 174.627 176.600 -0.065 0.000 1.016 564 E CA -1.215 55.176 56.400 -0.015 0.000 0.924 564 E CB 0.108 29.811 29.700 0.005 0.000 0.961 564 E HN 0.436 nan 8.360 nan 0.000 0.459 565 P HA -0.142 nan 4.420 nan 0.000 0.263 565 P C 0.519 177.754 177.300 -0.108 0.000 1.175 565 P CA 0.011 63.071 63.100 -0.066 0.000 0.761 565 P CB 0.757 32.437 31.700 -0.034 0.000 0.794 566 L N 3.021 124.129 121.223 -0.192 0.000 2.349 566 L HA -0.196 4.147 4.340 0.004 0.000 0.220 566 L C 2.245 179.107 176.870 -0.014 0.000 1.130 566 L CA 1.770 56.431 54.840 -0.299 0.000 0.791 566 L CB -0.885 40.885 42.059 -0.482 0.000 0.918 566 L HN 0.314 nan 8.230 nan 0.000 0.444 567 E N -0.308 119.894 120.200 0.002 0.000 2.058 567 E HA -0.164 4.189 4.350 0.004 0.000 0.194 567 E C 0.512 177.182 176.600 0.117 0.000 0.997 567 E CA 1.258 57.687 56.400 0.049 0.000 0.801 567 E CB -0.468 29.205 29.700 -0.045 0.000 0.746 567 E HN 0.567 nan 8.360 nan 0.000 0.450 568 D N 0.436 120.882 120.400 0.076 0.000 3.139 568 D HA 0.036 4.679 4.640 0.004 0.000 0.268 568 D C -0.643 175.741 176.300 0.139 0.000 1.322 568 D CA -0.216 53.837 54.000 0.088 0.000 0.940 568 D CB -0.369 40.452 40.800 0.034 0.000 1.050 568 D HN 0.045 nan 8.370 nan 0.000 0.503 569 Y N 1.284 121.612 120.300 0.046 0.000 2.328 569 Y HA 0.297 4.849 4.550 0.004 0.000 0.337 569 Y C -0.529 175.418 175.900 0.077 0.000 1.008 569 Y CA -1.352 56.721 58.100 -0.046 0.000 1.129 569 Y CB 1.072 39.298 38.460 -0.389 0.000 1.185 569 Y HN -0.158 nan 8.280 nan 0.000 0.476 570 V N 9.342 129.058 119.914 -0.330 0.000 2.250 570 V HA 0.272 4.394 4.120 0.004 0.000 0.268 570 V C -1.777 173.947 176.094 -0.617 0.000 1.043 570 V CA -1.549 60.520 62.300 -0.384 0.000 0.814 570 V CB 0.700 32.363 31.823 -0.267 0.000 1.072 570 V HN 0.681 nan 8.190 nan 0.000 0.451 571 P HA -0.268 nan 4.420 nan 0.000 0.213 571 P C 1.442 178.662 177.300 -0.133 0.000 1.176 571 P CA 2.166 64.953 63.100 -0.522 0.000 0.919 571 P CB -0.143 31.449 31.700 -0.180 0.000 0.791 572 H N -0.594 118.412 119.070 -0.106 0.000 2.568 572 H HA -0.013 4.545 4.556 0.004 0.000 0.281 572 H C 1.698 177.004 175.328 -0.036 0.000 1.028 572 H CA 0.977 57.003 56.048 -0.036 0.000 1.199 572 H CB -0.603 29.144 29.762 -0.025 0.000 1.352 572 H HN 0.324 nan 8.280 nan 0.000 0.605 573 Q N 0.421 119.942 119.800 -0.465 0.000 2.350 573 Q HA 0.156 4.499 4.340 0.004 0.000 0.225 573 Q C -0.004 175.904 176.000 -0.153 0.000 0.878 573 Q CA 0.025 55.608 55.803 -0.367 0.000 0.935 573 Q CB 0.940 29.403 28.738 -0.458 0.000 1.099 573 Q HN 0.200 nan 8.270 nan 0.000 0.527 574 S N 1.718 117.361 115.700 -0.095 0.000 2.300 574 S HA 0.221 4.694 4.470 0.004 0.000 0.172 574 S C -2.187 172.447 174.600 0.057 0.000 1.484 574 S CA -0.876 57.330 58.200 0.009 0.000 1.265 574 S CB 1.374 64.628 63.200 0.090 0.000 1.313 574 S HN 0.304 nan 8.310 nan 0.000 0.387 575 P HA -0.118 nan 4.420 nan 0.000 0.214 575 P C 0.346 177.686 177.300 0.066 0.000 1.163 575 P CA 1.323 64.464 63.100 0.069 0.000 0.883 575 P CB -0.017 31.720 31.700 0.062 0.000 0.788 576 D N 0.187 120.612 120.400 0.041 0.000 2.348 576 D HA 0.157 4.799 4.640 0.004 0.000 0.248 576 D C 0.841 177.150 176.300 0.014 0.000 1.142 576 D CA 0.229 54.245 54.000 0.027 0.000 0.904 576 D CB -0.345 40.463 40.800 0.012 0.000 0.901 576 D HN 0.196 nan 8.370 nan 0.000 0.523 577 A N 0.482 123.319 122.820 0.029 0.000 2.340 577 A HA 0.406 4.728 4.320 0.004 0.000 0.268 577 A C 0.504 178.080 177.584 -0.013 0.000 1.100 577 A CA -0.192 51.849 52.037 0.006 0.000 0.803 577 A CB 0.657 19.686 19.000 0.049 0.000 1.043 577 A HN -0.002 nan 8.150 nan 0.000 0.488 578 T N 2.237 116.775 114.554 -0.027 0.000 2.829 578 T HA 0.492 4.845 4.350 0.004 0.000 0.282 578 T C 0.065 174.743 174.700 -0.037 0.000 0.990 578 T CA -0.466 61.625 62.100 -0.014 0.000 1.028 578 T CB 0.686 69.565 68.868 0.019 0.000 0.951 578 T HN 0.686 nan 8.240 nan 0.000 0.460 579 R N 1.755 122.217 120.500 -0.062 0.000 2.207 579 R HA 0.624 4.967 4.340 0.004 0.000 0.334 579 R C -0.939 175.294 176.300 -0.112 0.000 1.013 579 R CA -0.763 55.285 56.100 -0.086 0.000 0.858 579 R CB 0.340 30.512 30.300 -0.213 0.000 1.094 579 R HN 0.269 nan 8.270 nan 0.000 0.457 580 V N 4.493 124.370 119.914 -0.062 0.000 2.583 580 V HA 0.310 4.433 4.120 0.004 0.000 0.287 580 V C -0.414 175.599 176.094 -0.135 0.000 1.051 580 V CA -0.031 62.251 62.300 -0.031 0.000 1.010 580 V CB 0.401 32.220 31.823 -0.006 0.000 0.988 580 V HN 0.566 nan 8.190 nan 0.000 0.478 581 F N 2.988 122.915 119.950 -0.037 0.000 2.540 581 F HA 0.683 5.213 4.527 0.004 0.000 0.317 581 F C -0.181 175.564 175.800 -0.092 0.000 1.104 581 F CA -0.737 57.247 58.000 -0.026 0.000 0.913 581 F CB 2.202 41.097 39.000 -0.175 0.000 1.170 581 F HN 0.133 nan 8.300 nan 0.000 0.450 582 V N 3.441 123.484 119.914 0.215 0.000 2.525 582 V HA 0.295 4.417 4.120 0.004 0.000 0.299 582 V C -0.368 175.797 176.094 0.119 0.000 1.034 582 V CA -1.236 61.081 62.300 0.028 0.000 0.863 582 V CB 1.555 33.317 31.823 -0.102 0.000 0.999 582 V HN 0.828 nan 8.190 nan 0.000 0.423 583 N N 4.160 122.864 118.700 0.007 0.000 2.710 583 N HA -0.237 4.506 4.740 0.004 0.000 0.249 583 N C 1.164 176.832 175.510 0.263 0.000 1.059 583 N CA 1.841 55.018 53.050 0.212 0.000 0.720 583 N CB -0.905 37.709 38.487 0.211 0.000 0.983 583 N HN 1.493 nan 8.380 nan 0.000 0.544 584 G N -3.235 105.704 108.800 0.232 0.000 2.308 584 G HA2 -0.312 3.650 3.960 0.004 0.000 0.221 584 G HA3 -0.312 3.650 3.960 0.004 0.000 0.221 584 G C 0.043 175.293 174.900 0.583 0.000 1.032 584 G CA 0.093 45.397 45.100 0.340 0.000 0.623 584 G HN 0.450 nan 8.290 nan 0.000 0.506 585 V N 1.020 121.228 119.914 0.490 0.000 2.649 585 V HA 0.491 4.614 4.120 0.004 0.000 0.292 585 V C 0.383 176.710 176.094 0.387 0.000 1.055 585 V CA -0.211 62.295 62.300 0.343 0.000 1.023 585 V CB 1.421 33.253 31.823 0.016 0.000 0.992 585 V HN 0.346 nan 8.190 nan 0.000 0.480 586 W N 4.848 126.144 121.300 -0.007 0.000 2.360 586 W HA 0.390 5.052 4.660 0.004 0.000 0.344 586 W C 0.938 177.270 176.519 -0.311 0.000 1.025 586 W CA -1.007 56.097 57.345 -0.402 0.000 1.480 586 W CB -0.287 28.955 29.460 -0.364 0.000 1.350 586 W HN 0.698 nan 8.180 nan 0.000 0.382 587 H N 3.582 122.634 119.070 -0.030 0.000 2.533 587 H HA 0.245 4.804 4.556 0.004 0.000 0.271 587 H C 1.206 176.406 175.328 -0.215 0.000 1.000 587 H CA 1.058 57.048 56.048 -0.097 0.000 1.149 587 H CB 0.482 30.221 29.762 -0.039 0.000 1.375 587 H HN 0.576 nan 8.280 nan 0.000 0.582 588 G N -0.033 108.584 108.800 -0.305 0.000 2.291 588 G HA2 0.078 4.041 3.960 0.004 0.000 0.249 588 G HA3 0.078 4.041 3.960 0.004 0.000 0.249 588 G C -1.549 173.129 174.900 -0.370 0.000 1.340 588 G CA -0.276 44.567 45.100 -0.428 0.000 1.017 588 G HN 0.094 nan 8.290 nan 0.000 0.470 589 V N -0.349 119.381 119.914 -0.306 0.000 3.181 589 V HA 0.877 5.000 4.120 0.004 0.000 0.308 589 V C -1.037 175.048 176.094 -0.015 0.000 1.214 589 V CA -0.595 61.560 62.300 -0.241 0.000 1.053 589 V CB 2.198 33.702 31.823 -0.532 0.000 1.069 589 V HN 1.392 nan 8.190 nan 0.000 0.441 590 H N 1.200 120.208 119.070 -0.104 0.000 3.179 590 H HA 0.506 5.065 4.556 0.004 0.000 0.331 590 H C -0.368 174.948 175.328 -0.021 0.000 1.013 590 H CA -0.605 55.415 56.048 -0.046 0.000 1.430 590 H CB 1.062 30.812 29.762 -0.020 0.000 1.895 590 H HN 0.630 nan 8.280 nan 0.000 0.468 591 R N 2.587 122.905 120.500 -0.303 0.000 2.738 591 R HA 0.153 4.496 4.340 0.004 0.000 0.275 591 R C 0.143 176.116 176.300 -0.545 0.000 1.121 591 R CA -0.543 55.387 56.100 -0.283 0.000 1.207 591 R CB 0.187 30.390 30.300 -0.163 0.000 1.141 591 R HN 0.750 nan 8.270 nan 0.000 0.571 592 N N 1.269 119.797 118.700 -0.287 0.000 2.678 592 N HA -0.111 4.631 4.740 0.004 0.000 0.268 592 N C -1.707 173.657 175.510 -0.243 0.000 1.010 592 N CA 0.240 53.158 53.050 -0.219 0.000 0.784 592 N CB -0.145 38.249 38.487 -0.155 0.000 0.905 592 N HN 0.499 nan 8.380 nan 0.000 0.552 593 P HA -0.032 nan 4.420 nan 0.000 0.227 593 P C 1.164 178.519 177.300 0.091 0.000 1.161 593 P CA 1.089 64.232 63.100 0.072 0.000 0.788 593 P CB 0.036 31.778 31.700 0.070 0.000 0.822 594 A N 1.318 124.163 122.820 0.042 0.000 1.908 594 A HA -0.207 4.116 4.320 0.004 0.000 0.218 594 A C 2.437 180.063 177.584 0.070 0.000 1.181 594 A CA 1.454 53.519 52.037 0.047 0.000 0.627 594 A CB -1.044 17.973 19.000 0.028 0.000 0.818 594 A HN 0.107 nan 8.150 nan 0.000 0.445 595 R N -1.288 119.269 120.500 0.094 0.000 2.057 595 R HA -0.052 4.291 4.340 0.004 0.000 0.229 595 R C 2.201 178.597 176.300 0.160 0.000 1.136 595 R CA 1.257 57.436 56.100 0.131 0.000 0.952 595 R CB -0.850 29.548 30.300 0.164 0.000 0.848 595 R HN 0.493 nan 8.270 nan 0.000 0.430 596 L N 1.256 122.620 121.223 0.234 0.000 2.010 596 L HA -0.265 4.078 4.340 0.004 0.000 0.219 596 L C 2.374 179.292 176.870 0.081 0.000 1.077 596 L CA 1.943 56.907 54.840 0.207 0.000 0.773 596 L CB -0.535 41.698 42.059 0.290 0.000 0.892 596 L HN 0.128 nan 8.230 nan 0.000 0.436 597 M N -0.083 119.565 119.600 0.080 0.000 2.065 597 M HA -0.253 4.229 4.480 0.004 0.000 0.259 597 M C 2.316 178.616 176.300 0.001 0.000 1.069 597 M CA 2.341 57.660 55.300 0.033 0.000 1.110 597 M CB -0.584 32.042 32.600 0.043 0.000 1.328 597 M HN 0.524 nan 8.290 nan 0.000 0.405 598 E N -1.587 118.623 120.200 0.016 0.000 2.160 598 E HA -0.187 4.165 4.350 0.004 0.000 0.195 598 E C 1.477 178.056 176.600 -0.035 0.000 0.991 598 E CA 1.828 58.228 56.400 -0.001 0.000 0.810 598 E CB -0.065 29.647 29.700 0.021 0.000 0.742 598 E HN 0.584 nan 8.360 nan 0.000 0.466 599 T N 1.269 115.792 114.554 -0.052 0.000 2.668 599 T HA -0.128 4.224 4.350 0.004 0.000 0.262 599 T C 1.849 176.426 174.700 -0.205 0.000 1.045 599 T CA 1.266 63.276 62.100 -0.149 0.000 1.152 599 T CB -0.315 68.370 68.868 -0.305 0.000 0.864 599 T HN 0.136 nan 8.240 nan 0.000 0.419 600 L N 0.667 121.774 121.223 -0.194 0.000 1.976 600 L HA -0.261 4.082 4.340 0.004 0.000 0.223 600 L C 2.945 179.703 176.870 -0.187 0.000 1.081 600 L CA 1.836 56.535 54.840 -0.236 0.000 0.784 600 L CB -0.613 41.357 42.059 -0.148 0.000 0.896 600 L HN 0.235 nan 8.230 nan 0.000 0.438 601 R N -0.799 119.633 120.500 -0.112 0.000 2.119 601 R HA -0.176 4.167 4.340 0.004 0.000 0.246 601 R C 2.171 178.409 176.300 -0.103 0.000 1.146 601 R CA 2.001 58.049 56.100 -0.086 0.000 0.962 601 R CB -0.866 29.407 30.300 -0.045 0.000 0.863 601 R HN 0.442 nan 8.270 nan 0.000 0.442 602 T N 1.494 115.985 114.554 -0.106 0.000 2.788 602 T HA -0.080 4.273 4.350 0.004 0.000 0.268 602 T C 1.803 176.425 174.700 -0.130 0.000 1.044 602 T CA 0.981 63.022 62.100 -0.100 0.000 1.139 602 T CB -0.073 68.748 68.868 -0.079 0.000 0.867 602 T HN 0.167 nan 8.240 nan 0.000 0.454 603 L N 0.477 121.587 121.223 -0.189 0.000 2.291 603 L HA 0.093 4.435 4.340 0.004 0.000 0.214 603 L C 2.751 179.505 176.870 -0.193 0.000 1.120 603 L CA 0.769 55.474 54.840 -0.225 0.000 0.799 603 L CB -0.316 41.516 42.059 -0.379 0.000 0.925 603 L HN 0.151 nan 8.230 nan 0.000 0.446 604 R N 0.321 120.717 120.500 -0.172 0.000 2.246 604 R HA -0.002 4.340 4.340 0.004 0.000 0.199 604 R C 2.011 178.230 176.300 -0.134 0.000 0.984 604 R CA 0.434 56.446 56.100 -0.146 0.000 1.015 604 R CB 0.220 30.444 30.300 -0.126 0.000 0.930 604 R HN 0.291 nan 8.270 nan 0.000 0.475 605 R N -0.182 120.242 120.500 -0.126 0.000 2.156 605 R HA 0.065 4.407 4.340 0.004 0.000 0.207 605 R C 2.051 178.282 176.300 -0.116 0.000 1.040 605 R CA 0.550 56.575 56.100 -0.124 0.000 1.013 605 R CB 0.026 30.263 30.300 -0.104 0.000 0.931 605 R HN 0.038 nan 8.270 nan 0.000 0.465 606 K N -0.007 120.331 120.400 -0.104 0.000 2.288 606 K HA -0.071 4.251 4.320 0.004 0.000 0.201 606 K C 0.849 177.395 176.600 -0.090 0.000 1.048 606 K CA 1.292 57.528 56.287 -0.085 0.000 0.956 606 K CB 0.271 32.726 32.500 -0.074 0.000 0.746 606 K HN 0.314 nan 8.250 nan 0.000 0.461 607 G N 0.505 109.241 108.800 -0.107 0.000 2.238 607 G HA2 -0.210 3.752 3.960 0.004 0.000 0.217 607 G HA3 -0.210 3.752 3.960 0.004 0.000 0.217 607 G C 0.479 175.320 174.900 -0.098 0.000 0.996 607 G CA 0.277 45.316 45.100 -0.101 0.000 0.632 607 G HN 0.364 nan 8.290 nan 0.000 0.503 608 D N 0.486 120.821 120.400 -0.108 0.000 2.228 608 D HA -0.041 4.601 4.640 0.004 0.000 0.203 608 D C 1.269 177.483 176.300 -0.142 0.000 0.988 608 D CA 1.121 55.051 54.000 -0.116 0.000 0.864 608 D CB 0.225 40.945 40.800 -0.133 0.000 0.928 608 D HN 0.542 nan 8.370 nan 0.000 0.469 609 I N 1.298 121.770 120.570 -0.165 0.000 2.389 609 I HA 0.069 4.241 4.170 0.004 0.000 0.288 609 I C 0.397 176.442 176.117 -0.120 0.000 0.999 609 I CA -0.918 60.282 61.300 -0.166 0.000 1.129 609 I CB 1.538 39.404 38.000 -0.223 0.000 1.288 609 I HN -0.240 nan 8.210 nan 0.000 0.444 610 N N 8.229 126.873 118.700 -0.092 0.000 2.217 610 N HA -0.060 4.682 4.740 0.004 0.000 0.268 610 N C -1.719 173.752 175.510 -0.065 0.000 1.290 610 N CA -0.609 52.401 53.050 -0.067 0.000 0.831 610 N CB 1.109 39.562 38.487 -0.057 0.000 1.057 610 N HN 0.326 nan 8.380 nan 0.000 0.481 611 P HA -0.150 nan 4.420 nan 0.000 0.218 611 P C 0.739 178.029 177.300 -0.017 0.000 1.146 611 P CA 1.310 64.392 63.100 -0.029 0.000 0.813 611 P CB 0.294 31.993 31.700 -0.001 0.000 0.778 612 E N -0.541 119.624 120.200 -0.059 0.000 2.031 612 E HA -0.090 4.262 4.350 0.004 0.000 0.193 612 E C 0.366 176.860 176.600 -0.176 0.000 0.994 612 E CA 0.583 56.846 56.400 -0.229 0.000 0.800 612 E CB -0.604 29.008 29.700 -0.146 0.000 0.752 612 E HN -0.009 nan 8.360 nan 0.000 0.447 613 V N 3.054 122.914 119.914 -0.089 0.000 2.717 613 V HA -0.124 3.998 4.120 0.004 0.000 0.302 613 V C 0.464 176.539 176.094 -0.031 0.000 1.097 613 V CA 0.469 62.743 62.300 -0.043 0.000 1.262 613 V CB -0.171 31.622 31.823 -0.050 0.000 0.846 613 V HN 0.211 nan 8.190 nan 0.000 0.485 614 S N 6.214 121.933 115.700 0.033 0.000 2.525 614 S HA 0.850 5.322 4.470 0.004 0.000 0.290 614 S C -0.720 173.925 174.600 0.075 0.000 1.152 614 S CA -0.976 57.260 58.200 0.060 0.000 1.072 614 S CB 1.580 64.848 63.200 0.114 0.000 1.027 614 S HN 0.601 nan 8.310 nan 0.000 0.500 615 M N 2.856 122.484 119.600 0.047 0.000 2.204 615 M HA 0.474 4.957 4.480 0.004 0.000 0.293 615 M C -1.769 174.555 176.300 0.040 0.000 0.994 615 M CA -0.494 54.819 55.300 0.022 0.000 0.925 615 M CB 1.679 34.272 32.600 -0.012 0.000 1.577 615 M HN 0.525 nan 8.290 nan 0.000 0.439 616 I N 2.644 123.235 120.570 0.035 0.000 2.474 616 I HA 0.519 4.691 4.170 0.004 0.000 0.294 616 I C -0.223 175.911 176.117 0.028 0.000 1.005 616 I CA -0.442 60.885 61.300 0.044 0.000 1.113 616 I CB 1.940 39.975 38.000 0.058 0.000 1.289 616 I HN 0.634 nan 8.210 nan 0.000 0.436 617 R N 4.042 124.565 120.500 0.037 0.000 2.412 617 R HA 0.240 4.583 4.340 0.004 0.000 0.304 617 R C -0.942 175.379 176.300 0.035 0.000 1.066 617 R CA -0.424 55.697 56.100 0.035 0.000 0.923 617 R CB 0.685 31.009 30.300 0.040 0.000 1.156 617 R HN 0.636 nan 8.270 nan 0.000 0.513 618 D N 6.593 127.009 120.400 0.027 0.000 2.551 618 D HA 0.041 4.684 4.640 0.004 0.000 0.223 618 D C 1.575 177.893 176.300 0.028 0.000 1.144 618 D CA -0.067 53.948 54.000 0.026 0.000 1.025 618 D CB 0.219 41.028 40.800 0.015 0.000 1.085 618 D HN 0.645 nan 8.370 nan 0.000 0.506 619 I N 1.731 122.319 120.570 0.031 0.000 2.132 619 I HA -0.429 3.744 4.170 0.004 0.000 0.238 619 I C 2.110 178.244 176.117 0.028 0.000 1.012 619 I CA 1.593 62.911 61.300 0.029 0.000 1.288 619 I CB -0.161 37.855 38.000 0.028 0.000 0.997 619 I HN 0.258 nan 8.210 nan 0.000 0.402 620 R N 0.050 120.567 120.500 0.027 0.000 2.328 620 R HA -0.131 4.211 4.340 0.004 0.000 0.207 620 R C 1.692 178.012 176.300 0.033 0.000 1.056 620 R CA 0.651 56.767 56.100 0.027 0.000 1.016 620 R CB -0.174 30.140 30.300 0.023 0.000 0.872 620 R HN 0.303 nan 8.270 nan 0.000 0.471 621 E N 0.672 120.893 120.200 0.034 0.000 2.481 621 E HA 0.067 4.419 4.350 0.004 0.000 0.198 621 E C -0.504 176.127 176.600 0.053 0.000 1.027 621 E CA 0.023 56.449 56.400 0.044 0.000 0.900 621 E CB 0.247 29.967 29.700 0.034 0.000 0.993 621 E HN 0.006 nan 8.360 nan 0.000 0.482 622 K N 1.131 121.556 120.400 0.042 0.000 3.150 622 K HA -0.212 4.110 4.320 0.004 0.000 0.267 622 K C -0.907 175.712 176.600 0.032 0.000 1.028 622 K CA 0.870 57.178 56.287 0.035 0.000 0.753 622 K CB -1.417 31.106 32.500 0.039 0.000 1.288 622 K HN 0.278 nan 8.250 nan 0.000 0.473 623 E N 0.435 120.658 120.200 0.038 0.000 2.317 623 E HA 0.506 4.859 4.350 0.004 0.000 0.270 623 E C -1.219 175.412 176.600 0.053 0.000 0.885 623 E CA -1.194 55.238 56.400 0.054 0.000 0.760 623 E CB 1.961 31.681 29.700 0.032 0.000 1.227 623 E HN 0.045 nan 8.360 nan 0.000 0.434 624 L N 2.167 123.439 121.223 0.083 0.000 2.457 624 L HA 0.379 4.722 4.340 0.004 0.000 0.266 624 L C -1.497 175.405 176.870 0.053 0.000 0.979 624 L CA -0.504 54.369 54.840 0.054 0.000 0.857 624 L CB 1.051 43.143 42.059 0.055 0.000 1.213 624 L HN 0.398 nan 8.230 nan 0.000 0.418 625 K N 6.640 127.023 120.400 -0.029 0.000 2.293 625 K HA 0.596 4.919 4.320 0.004 0.000 0.267 625 K C -0.968 175.495 176.600 -0.228 0.000 1.010 625 K CA -0.499 55.688 56.287 -0.167 0.000 0.875 625 K CB 1.980 34.301 32.500 -0.297 0.000 1.106 625 K HN 0.555 nan 8.250 nan 0.000 0.450 626 I N 3.594 124.005 120.570 -0.265 0.000 2.377 626 I HA 0.364 4.537 4.170 0.004 0.000 0.293 626 I C -0.641 175.305 176.117 -0.285 0.000 0.987 626 I CA -0.718 60.472 61.300 -0.183 0.000 1.185 626 I CB 0.862 38.798 38.000 -0.107 0.000 1.341 626 I HN 0.411 nan 8.210 nan 0.000 0.455 627 F N 3.373 123.321 119.950 -0.003 0.000 2.507 627 F HA 0.324 4.853 4.527 0.004 0.000 0.325 627 F C 0.831 176.616 175.800 -0.024 0.000 1.116 627 F CA -0.391 57.606 58.000 -0.005 0.000 0.930 627 F CB 2.202 41.194 39.000 -0.013 0.000 1.146 627 F HN 0.388 nan 8.300 nan 0.000 0.447 628 T N -0.404 114.277 114.554 0.212 0.000 3.003 628 T HA 0.017 4.369 4.350 0.004 0.000 0.261 628 T C 0.140 174.884 174.700 0.074 0.000 1.003 628 T CA -0.283 61.871 62.100 0.091 0.000 0.917 628 T CB -0.129 68.770 68.868 0.051 0.000 1.084 628 T HN 0.409 nan 8.240 nan 0.000 0.522 629 D N 2.339 122.807 120.400 0.114 0.000 2.567 629 D HA 0.174 4.817 4.640 0.004 0.000 0.228 629 D C 0.013 176.314 176.300 0.003 0.000 1.185 629 D CA 0.506 54.533 54.000 0.046 0.000 0.874 629 D CB 0.511 41.307 40.800 -0.006 0.000 1.219 629 D HN 0.378 nan 8.370 nan 0.000 0.494 630 A N 0.535 123.351 122.820 -0.006 0.000 2.317 630 A HA 0.631 4.954 4.320 0.004 0.000 0.327 630 A C 0.758 178.325 177.584 -0.027 0.000 1.178 630 A CA 0.188 52.220 52.037 -0.009 0.000 0.817 630 A CB 1.398 20.398 19.000 -0.000 0.000 1.189 630 A HN 0.801 nan 8.150 nan 0.000 0.489 631 G N 1.618 110.402 108.800 -0.026 0.000 2.151 631 G HA2 -0.135 3.827 3.960 0.004 0.000 0.156 631 G HA3 -0.135 3.827 3.960 0.004 0.000 0.156 631 G C -0.119 174.722 174.900 -0.098 0.000 1.017 631 G CA -0.265 44.800 45.100 -0.058 0.000 0.686 631 G HN 0.854 nan 8.290 nan 0.000 0.503 632 R N 0.098 120.564 120.500 -0.056 0.000 2.295 632 R HA 0.572 4.914 4.340 0.004 0.000 0.324 632 R C 0.362 176.676 176.300 0.023 0.000 0.968 632 R CA -0.742 55.313 56.100 -0.075 0.000 0.837 632 R CB 2.190 32.453 30.300 -0.062 0.000 1.133 632 R HN 0.087 nan 8.270 nan 0.000 0.450 633 V N 4.631 124.509 119.914 -0.060 0.000 2.686 633 V HA 0.206 4.328 4.120 0.004 0.000 0.295 633 V C -0.330 175.835 176.094 0.120 0.000 1.055 633 V CA 0.025 62.320 62.300 -0.008 0.000 1.050 633 V CB 0.026 31.902 31.823 0.089 0.000 0.984 633 V HN 0.736 nan 8.190 nan 0.000 0.482 634 Y N 3.081 123.379 120.300 -0.004 0.000 2.670 634 Y HA 0.880 5.433 4.550 0.004 0.000 0.334 634 Y C -0.655 175.237 175.900 -0.013 0.000 1.185 634 Y CA -1.806 56.299 58.100 0.009 0.000 1.053 634 Y CB 1.526 39.983 38.460 -0.006 0.000 1.298 634 Y HN 0.672 nan 8.280 nan 0.000 0.459 635 R N 0.842 121.478 120.500 0.226 0.000 2.774 635 R HA 0.683 5.026 4.340 0.004 0.000 0.272 635 R C -3.372 173.089 176.300 0.268 0.000 1.000 635 R CA -1.970 54.187 56.100 0.094 0.000 0.906 635 R CB 2.546 32.834 30.300 -0.021 0.000 1.227 635 R HN 0.498 nan 8.270 nan 0.000 0.468 636 P HA 0.368 nan 4.420 nan 0.000 0.277 636 P C -0.705 176.624 177.300 0.049 0.000 1.276 636 P CA -0.446 62.827 63.100 0.289 0.000 0.788 636 P CB 0.956 32.850 31.700 0.324 0.000 1.114 637 L N -1.868 119.341 121.223 -0.023 0.000 2.789 637 L HA 0.304 4.647 4.340 0.004 0.000 0.254 637 L C -0.424 176.395 176.870 -0.085 0.000 0.952 637 L CA -0.692 54.101 54.840 -0.078 0.000 0.942 637 L CB 1.114 43.199 42.059 0.044 0.000 1.502 637 L HN 0.234 nan 8.230 nan 0.000 0.425 638 F N 2.151 122.142 119.950 0.069 0.000 2.418 638 F HA 0.412 4.942 4.527 0.004 0.000 0.341 638 F C 0.714 176.535 175.800 0.034 0.000 1.120 638 F CA -0.159 57.855 58.000 0.024 0.000 1.232 638 F CB 0.734 39.735 39.000 0.002 0.000 1.175 638 F HN 0.130 nan 8.300 nan 0.000 0.569 639 I N 2.024 122.701 120.570 0.178 0.000 2.677 639 I HA 0.161 4.334 4.170 0.004 0.000 0.305 639 I C 0.379 176.497 176.117 0.001 0.000 0.988 639 I CA -0.304 61.005 61.300 0.015 0.000 1.260 639 I CB 1.700 39.679 38.000 -0.034 0.000 1.410 639 I HN 0.430 nan 8.210 nan 0.000 0.523 640 V N 1.162 121.032 119.914 -0.074 0.000 3.562 640 V HA 0.063 4.186 4.120 0.004 0.000 0.270 640 V C 0.245 176.334 176.094 -0.009 0.000 1.418 640 V CA -0.164 62.128 62.300 -0.013 0.000 1.033 640 V CB -0.298 31.545 31.823 0.034 0.000 0.820 640 V HN 0.666 nan 8.190 nan 0.000 0.441 641 E N 3.244 123.418 120.200 -0.044 0.000 3.127 641 E HA -0.234 4.119 4.350 0.004 0.000 0.299 641 E C 1.066 177.664 176.600 -0.003 0.000 0.757 641 E CA 0.979 57.364 56.400 -0.025 0.000 1.106 641 E CB 0.034 29.714 29.700 -0.033 0.000 0.714 641 E HN 0.757 nan 8.360 nan 0.000 0.498 642 D N 2.269 122.676 120.400 0.011 0.000 2.315 642 D HA -0.231 4.412 4.640 0.004 0.000 0.211 642 D C -0.098 176.197 176.300 -0.009 0.000 0.977 642 D CA 0.512 54.520 54.000 0.014 0.000 0.894 642 D CB -0.109 40.707 40.800 0.027 0.000 0.910 642 D HN 0.252 nan 8.370 nan 0.000 0.490 643 D N 1.806 122.201 120.400 -0.009 0.000 2.661 643 D HA -0.042 4.600 4.640 0.004 0.000 0.283 643 D C -0.099 176.185 176.300 -0.026 0.000 1.470 643 D CA 0.962 54.953 54.000 -0.014 0.000 1.126 643 D CB -0.012 40.782 40.800 -0.009 0.000 1.145 643 D HN 0.370 nan 8.370 nan 0.000 0.572 644 E N 0.790 120.966 120.200 -0.040 0.000 2.558 644 E HA -0.005 4.347 4.350 0.004 0.000 0.345 644 E C 0.762 177.318 176.600 -0.073 0.000 0.928 644 E CA -0.090 56.271 56.400 -0.065 0.000 0.774 644 E CB 1.007 30.643 29.700 -0.107 0.000 1.462 644 E HN 0.270 nan 8.360 nan 0.000 0.387 645 S N 3.212 118.882 115.700 -0.050 0.000 2.359 645 S HA -0.105 4.368 4.470 0.004 0.000 0.224 645 S C 1.405 175.972 174.600 -0.055 0.000 1.035 645 S CA 0.593 58.769 58.200 -0.040 0.000 1.018 645 S CB -0.269 62.916 63.200 -0.026 0.000 0.876 645 S HN 0.572 nan 8.310 nan 0.000 0.448 646 L N 2.984 124.167 121.223 -0.066 0.000 2.679 646 L HA 0.286 4.629 4.340 0.004 0.000 0.241 646 L C 0.987 177.776 176.870 -0.135 0.000 1.441 646 L CA 0.199 54.996 54.840 -0.072 0.000 1.181 646 L CB -1.775 40.251 42.059 -0.055 0.000 1.451 646 L HN 0.702 nan 8.230 nan 0.000 0.446 647 G N 1.699 110.423 108.800 -0.127 0.000 3.295 647 G HA2 -0.177 3.786 3.960 0.004 0.000 0.686 647 G HA3 -0.177 3.786 3.960 0.004 0.000 0.686 647 G C 0.259 174.830 174.900 -0.548 0.000 0.958 647 G CA -0.290 44.710 45.100 -0.167 0.000 0.787 647 G HN 0.969 nan 8.290 nan 0.000 0.523 648 H N -0.734 118.346 119.070 0.017 0.000 1.452 648 H HA -0.227 4.331 4.556 0.004 0.000 0.090 648 H C 0.245 175.588 175.328 0.025 0.000 2.619 648 H CA 1.054 57.116 56.048 0.022 0.000 1.901 648 H CB -0.642 29.139 29.762 0.030 0.000 2.257 648 H HN 1.048 nan 8.280 nan 0.000 0.961 649 K N 1.336 121.894 120.400 0.263 0.000 2.213 649 K HA 0.429 4.751 4.320 0.004 0.000 0.270 649 K C -0.624 176.123 176.600 0.244 0.000 1.002 649 K CA -0.177 56.214 56.287 0.173 0.000 0.868 649 K CB 1.203 33.802 32.500 0.165 0.000 1.093 649 K HN 0.513 nan 8.250 nan 0.000 0.454 650 E N 2.930 123.195 120.200 0.108 0.000 2.367 650 E HA 0.338 4.690 4.350 0.004 0.000 0.273 650 E C -1.253 175.374 176.600 0.044 0.000 0.903 650 E CA -0.706 55.752 56.400 0.097 0.000 0.764 650 E CB 1.061 30.782 29.700 0.034 0.000 1.252 650 E HN 0.462 nan 8.360 nan 0.000 0.446 651 L N 3.898 125.133 121.223 0.019 0.000 2.453 651 L HA 0.184 4.527 4.340 0.004 0.000 0.272 651 L C 1.446 178.312 176.870 -0.007 0.000 1.182 651 L CA -0.010 54.822 54.840 -0.015 0.000 0.858 651 L CB 0.444 42.437 42.059 -0.111 0.000 1.120 651 L HN 0.630 nan 8.230 nan 0.000 0.474 652 K N 1.756 122.159 120.400 0.004 0.000 2.097 652 K HA -0.055 4.268 4.320 0.004 0.000 0.206 652 K C 0.545 177.157 176.600 0.020 0.000 1.049 652 K CA 0.747 57.038 56.287 0.007 0.000 0.933 652 K CB -0.007 32.483 32.500 -0.017 0.000 0.717 652 K HN 0.388 nan 8.250 nan 0.000 0.442 653 V N 2.113 122.026 119.914 -0.002 0.000 3.096 653 V HA 0.006 4.129 4.120 0.004 0.000 0.306 653 V C 0.632 176.805 176.094 0.132 0.000 1.088 653 V CA 0.195 62.513 62.300 0.031 0.000 1.129 653 V CB 0.761 32.596 31.823 0.020 0.000 1.014 653 V HN 0.296 nan 8.190 nan 0.000 0.486 654 R N 1.416 122.104 120.500 0.314 0.000 2.752 654 R HA 0.301 4.644 4.340 0.004 0.000 0.271 654 R C 0.833 177.198 176.300 0.109 0.000 1.026 654 R CA -0.882 55.311 56.100 0.154 0.000 0.901 654 R CB 1.196 31.561 30.300 0.108 0.000 1.243 654 R HN 0.662 nan 8.270 nan 0.000 0.463 655 K N 0.735 121.160 120.400 0.041 0.000 2.113 655 K HA -0.142 4.180 4.320 0.004 0.000 0.208 655 K C 1.572 178.176 176.600 0.008 0.000 1.047 655 K CA 2.267 58.575 56.287 0.034 0.000 0.928 655 K CB -0.589 31.921 32.500 0.017 0.000 0.716 655 K HN 0.714 nan 8.250 nan 0.000 0.446 656 G N 1.038 109.800 108.800 -0.065 0.000 2.514 656 G HA2 -0.291 3.672 3.960 0.004 0.000 0.217 656 G HA3 -0.291 3.672 3.960 0.004 0.000 0.217 656 G C 1.242 176.040 174.900 -0.169 0.000 1.198 656 G CA 1.218 46.217 45.100 -0.168 0.000 0.780 656 G HN 0.437 nan 8.290 nan 0.000 0.565 657 H N 0.367 119.438 119.070 0.000 0.000 2.422 657 H HA 0.015 4.574 4.556 0.004 0.000 0.298 657 H C 2.684 178.085 175.328 0.122 0.000 1.098 657 H CA 1.108 57.174 56.048 0.031 0.000 1.315 657 H CB -0.077 29.779 29.762 0.157 0.000 1.382 657 H HN 0.355 nan 8.280 nan 0.000 0.523 658 I N 0.507 121.211 120.570 0.224 0.000 2.353 658 I HA -0.165 4.007 4.170 0.004 0.000 0.248 658 I C 2.740 178.955 176.117 0.163 0.000 1.119 658 I CA 0.757 62.187 61.300 0.217 0.000 1.417 658 I CB -0.270 37.837 38.000 0.178 0.000 1.078 658 I HN 0.132 nan 8.210 nan 0.000 0.421 659 A N 0.605 123.477 122.820 0.087 0.000 1.972 659 A HA -0.240 4.083 4.320 0.004 0.000 0.219 659 A C 2.340 179.958 177.584 0.057 0.000 1.169 659 A CA 1.614 53.685 52.037 0.057 0.000 0.635 659 A CB -0.425 18.580 19.000 0.009 0.000 0.810 659 A HN 0.317 nan 8.150 nan 0.000 0.446 660 K N -0.618 119.794 120.400 0.020 0.000 2.155 660 K HA 0.083 4.405 4.320 0.004 0.000 0.203 660 K C 1.779 178.489 176.600 0.183 0.000 1.052 660 K CA 0.721 56.976 56.287 -0.054 0.000 0.948 660 K CB -0.180 32.068 32.500 -0.420 0.000 0.728 660 K HN 0.492 nan 8.250 nan 0.000 0.448 661 L N 0.173 121.604 121.223 0.346 0.000 2.049 661 L HA -0.093 4.250 4.340 0.004 0.000 0.203 661 L C 2.455 179.497 176.870 0.287 0.000 1.074 661 L CA 1.041 56.140 54.840 0.431 0.000 0.749 661 L CB -0.214 42.083 42.059 0.395 0.000 0.907 661 L HN 0.251 nan 8.230 nan 0.000 0.439 662 M N -0.718 119.022 119.600 0.233 0.000 2.267 662 M HA -0.200 4.282 4.480 0.004 0.000 0.263 662 M C 2.412 178.829 176.300 0.194 0.000 1.063 662 M CA 1.455 56.877 55.300 0.202 0.000 1.090 662 M CB -0.521 32.177 32.600 0.163 0.000 1.392 662 M HN 0.347 nan 8.290 nan 0.000 0.422 663 A N 0.311 123.233 122.820 0.171 0.000 1.873 663 A HA -0.202 4.121 4.320 0.004 0.000 0.218 663 A C 2.183 179.888 177.584 0.201 0.000 1.193 663 A CA 2.542 54.674 52.037 0.158 0.000 0.629 663 A CB -1.268 17.800 19.000 0.113 0.000 0.826 663 A HN 0.438 nan 8.150 nan 0.000 0.447 664 T N -0.314 114.365 114.554 0.207 0.000 2.788 664 T HA -0.127 4.226 4.350 0.004 0.000 0.268 664 T C 1.765 176.571 174.700 0.176 0.000 1.044 664 T CA 1.555 63.770 62.100 0.190 0.000 1.139 664 T CB -0.255 68.736 68.868 0.205 0.000 0.867 664 T HN 0.627 nan 8.240 nan 0.000 0.454 665 E N -0.014 120.305 120.200 0.199 0.000 2.031 665 E HA -0.163 4.189 4.350 0.004 0.000 0.193 665 E C 1.952 178.655 176.600 0.171 0.000 0.994 665 E CA 1.198 57.707 56.400 0.182 0.000 0.800 665 E CB -0.305 29.517 29.700 0.202 0.000 0.752 665 E HN 0.502 nan 8.360 nan 0.000 0.447 666 Y N 2.039 122.390 120.300 0.086 0.000 2.181 666 Y HA -0.251 4.301 4.550 0.004 0.000 0.284 666 Y C 1.659 177.594 175.900 0.058 0.000 1.179 666 Y CA 1.648 59.788 58.100 0.067 0.000 1.179 666 Y CB -0.134 38.362 38.460 0.061 0.000 0.973 666 Y HN 0.039 nan 8.280 nan 0.000 0.519 667 Q N 1.105 120.923 119.800 0.029 0.000 2.425 667 Q HA -0.000 4.342 4.340 0.004 0.000 0.213 667 Q C -0.678 175.282 176.000 -0.066 0.000 0.950 667 Q CA 0.371 56.143 55.803 -0.051 0.000 0.979 667 Q CB -0.200 28.568 28.738 0.050 0.000 0.997 667 Q HN 0.486 nan 8.270 nan 0.000 0.509 679 Y N 3.465 123.812 120.300 0.079 0.000 2.518 679 Y HA 0.409 4.961 4.550 0.004 0.000 0.344 679 Y C 0.170 176.132 175.900 0.103 0.000 0.982 679 Y CA -0.337 57.814 58.100 0.085 0.000 1.234 679 Y CB 0.578 39.098 38.460 0.099 0.000 1.114 679 Y HN 0.030 nan 8.280 nan 0.000 0.515 680 T N 3.932 118.417 114.554 -0.115 0.000 2.865 680 T HA -0.050 4.302 4.350 0.004 0.000 0.302 680 T C 0.995 175.608 174.700 -0.145 0.000 1.078 680 T CA -0.487 61.575 62.100 -0.064 0.000 0.942 680 T CB 0.599 69.459 68.868 -0.013 0.000 1.387 680 T HN 0.839 nan 8.240 nan 0.000 0.557 681 W N -0.083 121.117 121.300 -0.166 0.000 2.704 681 W HA 0.085 4.748 4.660 0.005 0.000 0.266 681 W C 1.547 177.970 176.519 -0.160 0.000 1.266 681 W CA 0.370 57.627 57.345 -0.145 0.000 1.377 681 W CB -0.451 28.953 29.460 -0.092 0.000 1.082 681 W HN 0.523 nan 8.180 nan 0.000 0.608 682 S N 0.988 116.583 115.700 -0.175 0.000 2.428 682 S HA -0.172 4.300 4.470 0.004 0.000 0.230 682 S C 2.057 176.461 174.600 -0.327 0.000 1.014 682 S CA 1.710 59.755 58.200 -0.258 0.000 0.957 682 S CB -0.177 62.982 63.200 -0.068 0.000 0.784 682 S HN 0.396 nan 8.310 nan 0.000 0.499 683 S N 2.258 117.754 115.700 -0.340 0.000 2.368 683 S HA -0.005 4.468 4.470 0.004 0.000 0.225 683 S C 1.789 176.158 174.600 -0.385 0.000 1.030 683 S CA 0.845 58.849 58.200 -0.327 0.000 0.999 683 S CB -0.711 62.213 63.200 -0.460 0.000 0.844 683 S HN 0.414 nan 8.310 nan 0.000 0.459 684 L N 0.373 121.257 121.223 -0.566 0.000 2.046 684 L HA -0.023 4.320 4.340 0.004 0.000 0.208 684 L C 2.617 179.176 176.870 -0.519 0.000 1.077 684 L CA 0.901 55.440 54.840 -0.502 0.000 0.747 684 L CB -0.619 41.093 42.059 -0.580 0.000 0.896 684 L HN 0.283 nan 8.230 nan 0.000 0.432 685 L N -0.050 120.765 121.223 -0.679 0.000 2.093 685 L HA -0.131 4.212 4.340 0.004 0.000 0.208 685 L C 2.225 178.878 176.870 -0.362 0.000 1.085 685 L CA 1.720 56.199 54.840 -0.602 0.000 0.755 685 L CB -0.707 40.939 42.059 -0.688 0.000 0.904 685 L HN 0.249 nan 8.230 nan 0.000 0.435 686 N N -0.032 118.498 118.700 -0.283 0.000 2.173 686 N HA -0.113 4.629 4.740 0.004 0.000 0.184 686 N C 1.287 176.713 175.510 -0.139 0.000 1.025 686 N CA 1.119 54.063 53.050 -0.177 0.000 0.852 686 N CB -0.204 38.209 38.487 -0.125 0.000 0.998 686 N HN 0.483 nan 8.380 nan 0.000 0.427 687 E N 0.699 120.821 120.200 -0.129 0.000 2.482 687 E HA 0.076 4.429 4.350 0.004 0.000 0.200 687 E C 0.283 176.813 176.600 -0.116 0.000 1.147 687 E CA -0.173 56.179 56.400 -0.080 0.000 0.912 687 E CB -0.491 29.196 29.700 -0.021 0.000 0.938 687 E HN 0.351 nan 8.360 nan 0.000 0.519 688 G N 1.315 110.022 108.800 -0.155 0.000 2.356 688 G HA2 -0.280 3.683 3.960 0.004 0.000 0.296 688 G HA3 -0.280 3.683 3.960 0.004 0.000 0.296 688 G C 0.518 175.329 174.900 -0.148 0.000 1.022 688 G CA 0.285 45.294 45.100 -0.153 0.000 0.961 688 G HN 0.372 nan 8.290 nan 0.000 0.510 689 L N -1.690 119.416 121.223 -0.194 0.000 2.640 689 L HA 0.361 4.703 4.340 0.004 0.000 0.230 689 L C 0.574 177.381 176.870 -0.105 0.000 1.123 689 L CA -0.001 54.751 54.840 -0.147 0.000 0.900 689 L CB 0.271 42.204 42.059 -0.210 0.000 1.146 689 L HN 0.199 nan 8.230 nan 0.000 0.484 690 V N -1.776 118.012 119.914 -0.210 0.000 3.216 690 V HA 0.464 4.586 4.120 0.004 0.000 0.302 690 V C -0.955 174.991 176.094 -0.246 0.000 1.286 690 V CA -0.936 61.225 62.300 -0.232 0.000 1.048 690 V CB 2.853 34.404 31.823 -0.454 0.000 1.081 690 V HN -0.018 nan 8.190 nan 0.000 0.442 691 E N -0.129 119.974 120.200 -0.161 0.000 2.433 691 E HA 0.491 4.843 4.350 0.004 0.000 0.278 691 E C -2.042 174.542 176.600 -0.028 0.000 0.976 691 E CA -0.750 55.563 56.400 -0.146 0.000 0.793 691 E CB 3.124 32.831 29.700 0.011 0.000 1.311 691 E HN 0.709 nan 8.360 nan 0.000 0.460 692 Y N 1.526 121.836 120.300 0.017 0.000 2.434 692 Y HA 0.411 4.963 4.550 0.004 0.000 0.341 692 Y C 0.014 175.896 175.900 -0.029 0.000 0.965 692 Y CA -0.690 57.433 58.100 0.039 0.000 1.205 692 Y CB 0.771 39.115 38.460 -0.193 0.000 1.121 692 Y HN 0.163 nan 8.280 nan 0.000 0.507 693 I N 4.931 125.642 120.570 0.236 0.000 2.378 693 I HA 0.179 4.351 4.170 0.004 0.000 0.291 693 I C -0.536 175.697 176.117 0.195 0.000 0.992 693 I CA -0.825 60.550 61.300 0.126 0.000 1.154 693 I CB 1.387 39.394 38.000 0.012 0.000 1.315 693 I HN 0.603 nan 8.210 nan 0.000 0.448 694 D N 5.529 126.023 120.400 0.156 0.000 2.326 694 D HA 0.275 4.917 4.640 0.004 0.000 0.251 694 D C 0.862 177.256 176.300 0.157 0.000 1.023 694 D CA -0.644 53.465 54.000 0.183 0.000 0.966 694 D CB 1.913 42.790 40.800 0.128 0.000 1.156 694 D HN 0.531 nan 8.370 nan 0.000 0.494 695 A N 0.667 123.605 122.820 0.197 0.000 2.042 695 A HA -0.288 4.035 4.320 0.004 0.000 0.222 695 A C 1.920 179.652 177.584 0.246 0.000 1.167 695 A CA 2.154 54.342 52.037 0.250 0.000 0.649 695 A CB -0.750 18.463 19.000 0.355 0.000 0.809 695 A HN 0.677 nan 8.150 nan 0.000 0.457 696 E N -0.056 120.231 120.200 0.145 0.000 2.028 696 E HA -0.147 4.205 4.350 0.004 0.000 0.190 696 E C 1.959 178.624 176.600 0.108 0.000 0.984 696 E CA 1.607 58.062 56.400 0.092 0.000 0.800 696 E CB -0.344 29.386 29.700 0.049 0.000 0.758 696 E HN 0.689 nan 8.360 nan 0.000 0.448 697 E N 0.024 120.287 120.200 0.104 0.000 2.204 697 E HA -0.209 4.143 4.350 0.004 0.000 0.194 697 E C 1.862 178.499 176.600 0.062 0.000 0.989 697 E CA 0.850 57.299 56.400 0.082 0.000 0.824 697 E CB -0.048 29.694 29.700 0.070 0.000 0.756 697 E HN 0.342 nan 8.360 nan 0.000 0.477 698 E N 0.500 120.742 120.200 0.070 0.000 2.130 698 E HA -0.249 4.104 4.350 0.004 0.000 0.196 698 E C 1.782 178.419 176.600 0.062 0.000 0.998 698 E CA 1.209 57.638 56.400 0.048 0.000 0.806 698 E CB 0.116 29.871 29.700 0.092 0.000 0.738 698 E HN 0.233 nan 8.360 nan 0.000 0.459 699 E N 0.027 120.287 120.200 0.100 0.000 2.130 699 E HA -0.179 4.173 4.350 0.004 0.000 0.196 699 E C 1.890 178.532 176.600 0.070 0.000 0.998 699 E CA 1.505 57.963 56.400 0.097 0.000 0.806 699 E CB -0.188 29.581 29.700 0.116 0.000 0.738 699 E HN 0.293 nan 8.360 nan 0.000 0.459 700 S N 0.124 115.866 115.700 0.070 0.000 2.614 700 S HA 0.200 4.672 4.470 0.004 0.000 0.230 700 S C 0.835 175.494 174.600 0.099 0.000 0.952 700 S CA -0.585 57.660 58.200 0.074 0.000 0.949 700 S CB -0.774 62.469 63.200 0.073 0.000 0.786 700 S HN 0.271 nan 8.310 nan 0.000 0.478 701 I N -2.401 118.228 120.570 0.099 0.000 2.892 701 I HA 0.774 4.947 4.170 0.004 0.000 0.306 701 I C -1.517 174.697 176.117 0.161 0.000 1.078 701 I CA -1.697 59.704 61.300 0.168 0.000 1.032 701 I CB 1.860 39.943 38.000 0.137 0.000 1.229 701 I HN 0.031 nan 8.210 nan 0.000 0.435 702 L N 4.928 126.300 121.223 0.247 0.000 2.313 702 L HA 0.628 4.971 4.340 0.004 0.000 0.283 702 L C -0.945 176.113 176.870 0.313 0.000 1.013 702 L CA -0.362 54.639 54.840 0.270 0.000 0.816 702 L CB 1.411 43.657 42.059 0.312 0.000 1.236 702 L HN 0.514 nan 8.230 nan 0.000 0.419 703 I N 4.888 125.558 120.570 0.166 0.000 2.410 703 I HA 0.581 4.754 4.170 0.004 0.000 0.286 703 I C 0.086 176.017 176.117 -0.310 0.000 1.009 703 I CA -0.777 60.510 61.300 -0.022 0.000 1.111 703 I CB 1.754 39.748 38.000 -0.011 0.000 1.262 703 I HN 0.705 nan 8.210 nan 0.000 0.443 704 A N 5.394 127.734 122.820 -0.800 0.000 2.363 704 A HA 0.447 4.769 4.320 0.004 0.000 0.270 704 A C 0.737 178.108 177.584 -0.354 0.000 1.121 704 A CA -0.391 51.061 52.037 -0.975 0.000 0.800 704 A CB 0.945 19.085 19.000 -1.432 0.000 1.052 704 A HN 0.854 nan 8.150 nan 0.000 0.493 705 M N 1.072 120.545 119.600 -0.212 0.000 2.074 705 M HA -0.034 4.449 4.480 0.004 0.000 0.258 705 M C 1.067 177.298 176.300 -0.115 0.000 1.083 705 M CA 1.851 57.085 55.300 -0.111 0.000 1.128 705 M CB -0.238 32.309 32.600 -0.089 0.000 1.301 705 M HN 0.785 nan 8.290 nan 0.000 0.417 706 Q N 0.171 119.902 119.800 -0.114 0.000 2.230 706 Q HA 0.203 4.545 4.340 0.004 0.000 0.253 706 Q C -1.856 174.078 176.000 -0.109 0.000 0.919 706 Q CA -1.840 53.902 55.803 -0.102 0.000 0.908 706 Q CB 1.455 30.152 28.738 -0.068 0.000 1.245 706 Q HN 0.173 nan 8.270 nan 0.000 0.437 707 P HA -0.220 nan 4.420 nan 0.000 0.212 707 P C 0.484 177.726 177.300 -0.098 0.000 1.179 707 P CA 1.275 64.302 63.100 -0.121 0.000 0.898 707 P CB 0.133 31.731 31.700 -0.169 0.000 0.775 708 E N 1.175 121.326 120.200 -0.082 0.000 1.986 708 E HA -0.271 4.081 4.350 0.004 0.000 0.229 708 E C 1.631 178.162 176.600 -0.115 0.000 0.997 708 E CA 1.571 57.927 56.400 -0.074 0.000 0.894 708 E CB -1.872 27.805 29.700 -0.039 0.000 0.813 708 E HN 0.090 nan 8.360 nan 0.000 0.549 709 D N 0.157 120.497 120.400 -0.101 0.000 2.426 709 D HA -0.166 4.476 4.640 0.004 0.000 0.218 709 D C 1.395 177.547 176.300 -0.246 0.000 0.978 709 D CA 1.038 54.954 54.000 -0.139 0.000 0.983 709 D CB -0.010 40.753 40.800 -0.060 0.000 0.862 709 D HN 0.339 nan 8.370 nan 0.000 0.498 710 L N -0.589 120.514 121.223 -0.200 0.000 3.016 710 L HA 0.221 4.563 4.340 0.004 0.000 0.267 710 L C 0.433 177.295 176.870 -0.014 0.000 1.182 710 L CA 0.123 54.893 54.840 -0.116 0.000 0.997 710 L CB 0.642 42.723 42.059 0.036 0.000 1.354 710 L HN -0.210 nan 8.230 nan 0.000 0.569 711 E N 1.261 121.386 120.200 -0.126 0.000 3.428 711 E HA 0.210 4.563 4.350 0.004 0.000 0.191 711 E C -2.430 174.079 176.600 -0.153 0.000 0.980 711 E CA -0.725 55.657 56.400 -0.030 0.000 1.305 711 E CB 1.384 31.111 29.700 0.044 0.000 1.105 711 E HN 0.202 nan 8.360 nan 0.000 0.455 712 P HA 0.497 nan 4.420 nan 0.000 0.292 712 P C -1.066 176.212 177.300 -0.036 0.000 1.313 712 P CA -0.652 62.350 63.100 -0.162 0.000 0.965 712 P CB 1.825 33.431 31.700 -0.158 0.000 1.303 713 A N 0.559 123.356 122.820 -0.038 0.000 2.309 713 A HA 0.320 4.643 4.320 0.004 0.000 0.298 713 A C 0.208 177.826 177.584 0.057 0.000 1.165 713 A CA -0.593 51.458 52.037 0.025 0.000 0.821 713 A CB 0.002 18.988 19.000 -0.023 0.000 1.102 713 A HN 0.628 nan 8.150 nan 0.000 0.500 714 E N 2.090 122.328 120.200 0.062 0.000 2.265 714 E HA 0.406 4.759 4.350 0.004 0.000 0.272 714 E C 0.653 177.260 176.600 0.011 0.000 1.067 714 E CA -0.156 56.265 56.400 0.035 0.000 0.900 714 E CB 0.532 30.221 29.700 -0.018 0.000 1.017 714 E HN 0.788 nan 8.360 nan 0.000 0.431 723 V N 2.607 122.535 119.914 0.024 0.000 2.432 723 V HA 0.253 4.375 4.120 0.004 0.000 0.275 723 V C 0.457 176.568 176.094 0.029 0.000 1.043 723 V CA -0.769 61.547 62.300 0.028 0.000 0.925 723 V CB 1.746 33.586 31.823 0.029 0.000 0.985 723 V HN 0.008 nan 8.190 nan 0.000 0.466 724 D N 7.555 127.974 120.400 0.033 0.000 2.554 724 D HA -0.002 4.640 4.640 0.004 0.000 0.251 724 D C -0.891 175.430 176.300 0.035 0.000 1.213 724 D CA -0.939 53.082 54.000 0.035 0.000 0.900 724 D CB 1.518 42.342 40.800 0.040 0.000 1.135 724 D HN 0.437 nan 8.370 nan 0.000 0.522 725 P HA -0.092 nan 4.420 nan 0.000 0.228 725 P C 0.614 177.934 177.300 0.033 0.000 1.151 725 P CA 0.500 63.618 63.100 0.030 0.000 0.770 725 P CB 0.331 32.047 31.700 0.026 0.000 0.786 726 A N -0.556 122.286 122.820 0.037 0.000 2.220 726 A HA 0.104 4.427 4.320 0.004 0.000 0.211 726 A C 1.098 178.712 177.584 0.050 0.000 1.176 726 A CA 0.107 52.168 52.037 0.040 0.000 0.834 726 A CB -0.312 18.709 19.000 0.036 0.000 0.868 726 A HN 0.138 nan 8.150 nan 0.000 0.488 727 K N 1.418 121.850 120.400 0.054 0.000 2.185 727 K HA 0.288 4.610 4.320 0.004 0.000 0.271 727 K C 0.366 177.003 176.600 0.062 0.000 1.013 727 K CA -0.585 55.742 56.287 0.066 0.000 0.943 727 K CB 0.832 33.371 32.500 0.066 0.000 0.998 727 K HN 0.562 nan 8.250 nan 0.000 0.468 728 R N 1.796 122.338 120.500 0.070 0.000 2.893 728 R HA 0.167 4.510 4.340 0.004 0.000 0.279 728 R C -0.208 176.122 176.300 0.051 0.000 1.076 728 R CA -0.144 55.989 56.100 0.055 0.000 1.203 728 R CB -0.008 30.322 30.300 0.050 0.000 1.137 728 R HN 0.425 nan 8.270 nan 0.000 0.541 729 I N 0.553 121.148 120.570 0.042 0.000 2.377 729 I HA 0.381 4.554 4.170 0.004 0.000 0.293 729 I C 0.201 176.342 176.117 0.040 0.000 0.987 729 I CA -0.801 60.523 61.300 0.039 0.000 1.185 729 I CB 1.593 39.612 38.000 0.032 0.000 1.341 729 I HN 0.493 nan 8.210 nan 0.000 0.455 730 R N 3.734 124.260 120.500 0.043 0.000 2.740 730 R HA 0.598 4.940 4.340 0.004 0.000 0.282 730 R C 0.155 176.481 176.300 0.043 0.000 0.969 730 R CA -0.776 55.349 56.100 0.042 0.000 0.918 730 R CB 2.325 32.653 30.300 0.046 0.000 1.175 730 R HN 0.361 nan 8.270 nan 0.000 0.464 731 V N 0.273 120.212 119.914 0.043 0.000 2.239 731 V HA 0.086 4.208 4.120 0.004 0.000 0.147 731 V C 0.413 176.543 176.094 0.059 0.000 0.891 731 V CA 0.508 62.836 62.300 0.048 0.000 1.342 731 V CB 0.018 31.869 31.823 0.047 0.000 0.803 731 V HN 0.850 nan 8.190 nan 0.000 0.430 732 S N -1.084 114.656 115.700 0.067 0.000 2.638 732 S HA 0.408 4.880 4.470 0.004 0.000 0.274 732 S C -0.870 173.791 174.600 0.101 0.000 1.157 732 S CA -0.569 57.665 58.200 0.056 0.000 0.826 732 S CB 1.308 64.424 63.200 -0.140 0.000 1.139 732 S HN 0.798 nan 8.310 nan 0.000 0.474 733 H N 0.539 119.587 119.070 -0.038 0.000 2.799 733 H HA 0.292 4.851 4.556 0.004 0.000 0.225 733 H C -0.728 174.565 175.328 -0.058 0.000 1.904 733 H CA -0.238 55.844 56.048 0.056 0.000 1.344 733 H CB -0.976 28.850 29.762 0.108 0.000 1.744 733 H HN 0.461 nan 8.280 nan 0.000 0.542 734 H N 2.481 121.495 119.070 -0.094 0.000 3.008 734 H HA 0.519 5.078 4.556 0.004 0.000 0.268 734 H C -0.309 174.879 175.328 -0.232 0.000 1.323 734 H CA -0.035 55.906 56.048 -0.179 0.000 1.401 734 H CB 0.035 29.722 29.762 -0.125 0.000 1.556 734 H HN 0.828 nan 8.280 nan 0.000 0.502 735 A N 2.861 125.543 122.820 -0.231 0.000 2.401 735 A HA 0.131 4.453 4.320 0.004 0.000 0.313 735 A C -0.051 177.239 177.584 -0.491 0.000 1.013 735 A CA -0.747 51.026 52.037 -0.440 0.000 1.034 735 A CB 0.016 18.554 19.000 -0.770 0.000 1.324 735 A HN 0.388 nan 8.150 nan 0.000 0.366 736 T N 2.410 116.815 114.554 -0.249 0.000 3.540 736 T HA 0.425 4.778 4.350 0.004 0.000 0.269 736 T C 0.745 175.364 174.700 -0.135 0.000 1.481 736 T CA 0.899 62.907 62.100 -0.154 0.000 1.224 736 T CB -0.208 68.615 68.868 -0.074 0.000 1.192 736 T HN 0.694 nan 8.240 nan 0.000 0.756 737 T N -0.058 114.371 114.554 -0.208 0.000 3.172 737 T HA 0.226 4.579 4.350 0.004 0.000 0.261 737 T C 0.457 175.190 174.700 0.056 0.000 0.854 737 T CA -0.524 61.531 62.100 -0.076 0.000 0.848 737 T CB -0.014 68.807 68.868 -0.077 0.000 1.267 737 T HN 0.501 nan 8.240 nan 0.000 0.581 738 F N 3.223 123.199 119.950 0.043 0.000 2.480 738 F HA -0.112 4.418 4.527 0.004 0.000 0.409 738 F C 2.020 177.828 175.800 0.013 0.000 0.979 738 F CA 0.626 58.654 58.000 0.047 0.000 1.184 738 F CB 0.618 39.650 39.000 0.053 0.000 0.925 738 F HN 0.211 nan 8.300 nan 0.000 0.543 739 T N -1.310 113.371 114.554 0.212 0.000 2.955 739 T HA 0.220 4.572 4.350 0.004 0.000 0.251 739 T C -0.106 174.343 174.700 -0.417 0.000 1.002 739 T CA 0.002 62.051 62.100 -0.086 0.000 0.970 739 T CB 0.147 68.972 68.868 -0.071 0.000 1.091 739 T HN 0.595 nan 8.240 nan 0.000 0.495 740 H N -0.605 118.519 119.070 0.090 0.000 2.977 740 H HA 0.770 5.328 4.556 0.004 0.000 0.350 740 H C -1.248 174.065 175.328 -0.025 0.000 1.238 740 H CA -0.994 55.086 56.048 0.054 0.000 1.124 740 H CB 1.687 31.480 29.762 0.052 0.000 1.866 740 H HN 0.330 nan 8.280 nan 0.000 0.550 741 C N 1.017 120.415 119.300 0.163 0.000 2.783 741 C HA 0.501 4.963 4.460 0.004 0.000 0.312 741 C C -0.586 174.507 174.990 0.172 0.000 1.182 741 C CA -0.504 58.545 59.018 0.052 0.000 1.432 741 C CB 0.987 28.746 27.740 0.032 0.000 1.933 741 C HN 0.933 nan 8.230 nan 0.000 0.473 742 E N 3.025 123.278 120.200 0.087 0.000 2.376 742 E HA 0.178 4.531 4.350 0.004 0.000 0.266 742 E C 1.237 177.912 176.600 0.126 0.000 1.009 742 E CA -0.045 56.407 56.400 0.085 0.000 0.902 742 E CB 0.414 30.157 29.700 0.071 0.000 0.972 742 E HN 0.513 nan 8.360 nan 0.000 0.439 743 I N 2.599 123.129 120.570 -0.066 0.000 2.163 743 I HA -0.187 3.986 4.170 0.004 0.000 0.243 743 I C 0.654 176.803 176.117 0.053 0.000 1.085 743 I CA 1.672 62.880 61.300 -0.153 0.000 1.347 743 I CB -0.900 36.845 38.000 -0.425 0.000 1.044 743 I HN 0.645 nan 8.210 nan 0.000 0.408 744 H N -0.074 118.907 119.070 -0.149 0.000 3.218 744 H HA 0.105 4.664 4.556 0.004 0.000 0.300 744 H C -2.021 173.253 175.328 -0.089 0.000 1.304 744 H CA -0.756 55.197 56.048 -0.158 0.000 1.562 744 H CB 1.414 30.905 29.762 -0.451 0.000 2.216 744 H HN -0.255 nan 8.280 nan 0.000 0.371 745 P HA -0.298 nan 4.420 nan 0.000 0.219 745 P C 1.365 178.821 177.300 0.259 0.000 1.153 745 P CA 2.197 65.305 63.100 0.014 0.000 0.865 745 P CB 0.126 31.699 31.700 -0.212 0.000 0.788 746 S N -1.933 114.192 115.700 0.709 0.000 2.493 746 S HA -0.100 4.372 4.470 0.004 0.000 0.243 746 S C 1.772 176.488 174.600 0.194 0.000 0.991 746 S CA 0.942 59.446 58.200 0.507 0.000 0.957 746 S CB -0.985 62.484 63.200 0.449 0.000 0.756 746 S HN -0.025 nan 8.310 nan 0.000 0.521 747 M N 1.852 121.497 119.600 0.074 0.000 2.595 747 M HA 0.286 4.768 4.480 0.004 0.000 0.248 747 M C 1.827 178.029 176.300 -0.164 0.000 1.119 747 M CA 0.105 55.365 55.300 -0.067 0.000 1.079 747 M CB -1.221 31.287 32.600 -0.154 0.000 1.472 747 M HN 0.614 nan 8.290 nan 0.000 0.501 748 I N -2.572 117.845 120.570 -0.255 0.000 2.916 748 I HA -0.072 4.101 4.170 0.004 0.000 0.267 748 I C 0.851 176.819 176.117 -0.249 0.000 1.263 748 I CA 0.306 61.342 61.300 -0.440 0.000 1.471 748 I CB -0.399 37.105 38.000 -0.826 0.000 1.089 748 I HN 0.004 nan 8.210 nan 0.000 0.468 749 L N 1.026 122.175 121.223 -0.122 0.000 2.488 749 L HA 0.692 5.035 4.340 0.004 0.000 0.249 749 L C 0.628 177.456 176.870 -0.070 0.000 1.151 749 L CA -0.324 54.469 54.840 -0.078 0.000 0.806 749 L CB 0.883 42.923 42.059 -0.031 0.000 1.261 749 L HN 0.182 nan 8.230 nan 0.000 0.484 750 G N -1.404 107.361 108.800 -0.058 0.000 2.672 750 G HA2 0.462 4.425 3.960 0.004 0.000 0.292 750 G HA3 0.462 4.425 3.960 0.004 0.000 0.292 750 G C 0.363 175.242 174.900 -0.036 0.000 1.375 750 G CA -0.527 44.547 45.100 -0.044 0.000 0.890 750 G HN 0.397 nan 8.290 nan 0.000 0.476 751 V N 1.223 121.123 119.914 -0.023 0.000 2.316 751 V HA -0.432 3.690 4.120 0.004 0.000 0.247 751 V C 3.328 179.401 176.094 -0.035 0.000 1.028 751 V CA 3.900 66.187 62.300 -0.022 0.000 1.105 751 V CB -1.498 30.313 31.823 -0.020 0.000 0.781 751 V HN 1.239 nan 8.190 nan 0.000 0.494 752 A N -0.163 122.636 122.820 -0.034 0.000 1.863 752 A HA -0.284 4.039 4.320 0.004 0.000 0.218 752 A C 2.362 179.904 177.584 -0.070 0.000 1.233 752 A CA 3.838 55.849 52.037 -0.042 0.000 0.655 752 A CB -1.371 17.607 19.000 -0.037 0.000 0.839 752 A HN 1.180 nan 8.150 nan 0.000 0.454 753 A N -1.276 121.504 122.820 -0.068 0.000 2.076 753 A HA -0.058 4.265 4.320 0.004 0.000 0.220 753 A C 2.333 179.855 177.584 -0.104 0.000 1.160 753 A CA 2.008 53.996 52.037 -0.081 0.000 0.653 753 A CB -0.882 18.079 19.000 -0.064 0.000 0.801 753 A HN 0.497 nan 8.150 nan 0.000 0.455 754 S N -0.698 114.946 115.700 -0.093 0.000 2.419 754 S HA -0.095 4.378 4.470 0.004 0.000 0.235 754 S C 1.402 175.888 174.600 -0.191 0.000 1.019 754 S CA 1.316 59.453 58.200 -0.105 0.000 0.982 754 S CB -0.384 62.778 63.200 -0.064 0.000 0.789 754 S HN 0.589 nan 8.310 nan 0.000 0.490 755 I N 0.770 121.192 120.570 -0.246 0.000 3.793 755 I HA 0.156 4.329 4.170 0.004 0.000 0.315 755 I C -0.064 175.816 176.117 -0.396 0.000 1.275 755 I CA 0.221 61.266 61.300 -0.426 0.000 1.214 755 I CB 0.088 37.753 38.000 -0.559 0.000 1.018 755 I HN 0.123 nan 8.210 nan 0.000 0.439 756 I N 4.153 124.556 120.570 -0.278 0.000 2.416 756 I HA 0.171 4.343 4.170 0.004 0.000 0.288 756 I C -2.077 173.898 176.117 -0.237 0.000 1.051 756 I CA -1.742 59.403 61.300 -0.259 0.000 1.375 756 I CB 0.665 38.564 38.000 -0.168 0.000 1.407 756 I HN -0.156 nan 8.210 nan 0.000 0.516 757 P HA 0.177 nan 4.420 nan 0.000 0.286 757 P C -0.277 176.996 177.300 -0.044 0.000 1.269 757 P CA -0.201 62.728 63.100 -0.284 0.000 0.787 757 P CB 0.475 32.016 31.700 -0.266 0.000 0.920 758 F N 1.549 121.506 119.950 0.011 0.000 3.090 758 F HA -0.162 4.367 4.527 0.004 0.000 0.282 758 F C -0.900 174.962 175.800 0.103 0.000 0.923 758 F CA -0.333 57.721 58.000 0.090 0.000 0.977 758 F CB -1.798 37.258 39.000 0.094 0.000 0.954 758 F HN 0.349 nan 8.300 nan 0.000 0.695 759 P HA -0.124 nan 4.420 nan 0.000 0.242 759 P C 0.533 177.876 177.300 0.072 0.000 1.198 759 P CA 1.537 64.694 63.100 0.096 0.000 0.756 759 P CB -0.051 31.648 31.700 -0.002 0.000 0.911 760 D N -2.128 118.312 120.400 0.066 0.000 2.463 760 D HA -0.015 4.628 4.640 0.004 0.000 0.224 760 D C 0.582 176.802 176.300 -0.133 0.000 1.174 760 D CA -0.277 53.711 54.000 -0.021 0.000 0.829 760 D CB -0.793 39.921 40.800 -0.143 0.000 0.993 760 D HN 0.284 nan 8.370 nan 0.000 0.497 761 H N -0.338 118.773 119.070 0.068 0.000 2.865 761 H HA 0.297 4.856 4.556 0.004 0.000 0.247 761 H C -0.677 174.668 175.328 0.027 0.000 1.181 761 H CA -0.441 55.621 56.048 0.023 0.000 0.975 761 H CB 0.467 30.205 29.762 -0.040 0.000 1.899 761 H HN 0.034 nan 8.280 nan 0.000 0.651 762 N N 1.213 119.990 118.700 0.130 0.000 2.249 762 N HA 0.062 4.805 4.740 0.004 0.000 0.296 762 N C -0.637 174.904 175.510 0.051 0.000 1.051 762 N CA -0.531 52.579 53.050 0.100 0.000 0.815 762 N CB 2.441 41.017 38.487 0.147 0.000 1.487 762 N HN 0.143 nan 8.380 nan 0.000 0.475 763 Q N 2.040 121.858 119.800 0.030 0.000 2.247 763 Q HA 0.035 4.378 4.340 0.004 0.000 0.288 763 Q C 0.636 176.617 176.000 -0.032 0.000 1.079 763 Q CA 0.369 56.172 55.803 0.000 0.000 0.932 763 Q CB 0.440 29.175 28.738 -0.005 0.000 1.133 763 Q HN 0.723 nan 8.270 nan 0.000 0.377 764 S N 5.319 121.000 115.700 -0.033 0.000 2.433 764 S HA -0.223 4.250 4.470 0.004 0.000 0.276 764 S C -0.904 173.617 174.600 -0.130 0.000 1.122 764 S CA 2.162 60.328 58.200 -0.056 0.000 1.277 764 S CB -0.885 62.291 63.200 -0.041 0.000 1.198 764 S HN 0.849 nan 8.310 nan 0.000 0.440 765 P HA -0.105 nan 4.420 nan 0.000 0.218 765 P C 1.043 177.932 177.300 -0.685 0.000 1.149 765 P CA 1.099 63.945 63.100 -0.423 0.000 0.817 765 P CB -0.126 31.330 31.700 -0.407 0.000 0.785 766 R N -0.319 119.939 120.500 -0.404 0.000 2.193 766 R HA -0.012 4.330 4.340 0.004 0.000 0.229 766 R C 1.919 178.145 176.300 -0.123 0.000 1.110 766 R CA 0.572 56.525 56.100 -0.244 0.000 0.988 766 R CB -1.106 29.191 30.300 -0.004 0.000 0.871 766 R HN 0.304 nan 8.270 nan 0.000 0.458 767 N N -0.154 118.474 118.700 -0.121 0.000 2.216 767 N HA -0.069 4.674 4.740 0.004 0.000 0.183 767 N C 1.401 176.864 175.510 -0.077 0.000 1.017 767 N CA 1.299 54.310 53.050 -0.064 0.000 0.861 767 N CB -0.073 38.386 38.487 -0.045 0.000 0.986 767 N HN 0.130 nan 8.380 nan 0.000 0.428 768 T N 0.464 114.934 114.554 -0.140 0.000 2.857 768 T HA -0.020 4.333 4.350 0.004 0.000 0.266 768 T C 1.718 176.441 174.700 0.038 0.000 1.048 768 T CA 0.769 62.820 62.100 -0.082 0.000 1.139 768 T CB -0.271 68.526 68.868 -0.118 0.000 0.874 768 T HN 0.344 nan 8.240 nan 0.000 0.455 769 Y N 1.256 121.543 120.300 -0.022 0.000 2.089 769 Y HA -0.234 4.319 4.550 0.005 0.000 0.282 769 Y C 3.053 178.928 175.900 -0.041 0.000 1.139 769 Y CA 0.830 58.913 58.100 -0.028 0.000 1.123 769 Y CB -0.304 38.146 38.460 -0.016 0.000 0.980 769 Y HN 0.130 nan 8.280 nan 0.000 0.493 770 Q N 0.908 120.783 119.800 0.124 0.000 2.112 770 Q HA -0.187 4.155 4.340 0.004 0.000 0.206 770 Q C 2.055 178.049 176.000 -0.010 0.000 0.987 770 Q CA 2.342 58.157 55.803 0.019 0.000 0.858 770 Q CB -0.591 28.119 28.738 -0.048 0.000 0.905 770 Q HN 0.270 nan 8.270 nan 0.000 0.420 771 S N -0.168 115.525 115.700 -0.011 0.000 2.399 771 S HA -0.087 4.385 4.470 0.004 0.000 0.231 771 S C 1.795 176.384 174.600 -0.018 0.000 1.022 771 S CA 0.974 59.159 58.200 -0.025 0.000 0.983 771 S CB -0.458 62.723 63.200 -0.032 0.000 0.803 771 S HN 0.611 nan 8.310 nan 0.000 0.480 772 A N 0.654 123.475 122.820 0.002 0.000 2.067 772 A HA 0.193 4.516 4.320 0.004 0.000 0.217 772 A C 1.979 179.537 177.584 -0.043 0.000 1.156 772 A CA 0.722 52.749 52.037 -0.017 0.000 0.683 772 A CB -0.345 18.660 19.000 0.007 0.000 0.808 772 A HN 0.462 nan 8.150 nan 0.000 0.455 773 M N -1.172 118.409 119.600 -0.031 0.000 2.501 773 M HA 0.054 4.537 4.480 0.004 0.000 0.261 773 M C 2.101 178.374 176.300 -0.045 0.000 1.129 773 M CA 0.793 56.063 55.300 -0.051 0.000 1.126 773 M CB -0.076 32.499 32.600 -0.042 0.000 1.359 773 M HN 0.483 nan 8.290 nan 0.000 0.471 774 G N 1.056 109.843 108.800 -0.022 0.000 2.498 774 G HA2 -0.173 3.790 3.960 0.004 0.000 0.219 774 G HA3 -0.173 3.790 3.960 0.004 0.000 0.219 774 G C 1.428 176.340 174.900 0.020 0.000 1.119 774 G CA 0.608 45.719 45.100 0.018 0.000 0.766 774 G HN 0.419 nan 8.290 nan 0.000 0.552 775 K N -0.393 119.986 120.400 -0.034 0.000 2.404 775 K HA 0.154 4.476 4.320 0.004 0.000 0.194 775 K C 1.491 177.987 176.600 -0.174 0.000 1.023 775 K CA 0.154 56.402 56.287 -0.065 0.000 1.094 775 K CB 0.445 32.889 32.500 -0.094 0.000 0.841 775 K HN 0.301 nan 8.250 nan 0.000 0.523 776 Q N -0.097 119.608 119.800 -0.159 0.000 2.149 776 Q HA 0.244 4.586 4.340 0.004 0.000 0.221 776 Q C -0.225 175.690 176.000 -0.141 0.000 0.807 776 Q CA -0.393 55.266 55.803 -0.240 0.000 1.000 776 Q CB 1.411 30.011 28.738 -0.231 0.000 1.157 776 Q HN 0.166 nan 8.270 nan 0.000 0.487 777 A N 0.927 123.716 122.820 -0.052 0.000 2.332 777 A HA 0.486 4.809 4.320 0.004 0.000 0.258 777 A C -0.068 177.536 177.584 0.033 0.000 1.087 777 A CA -0.033 52.005 52.037 0.002 0.000 0.802 777 A CB 0.420 19.466 19.000 0.077 0.000 1.042 777 A HN 0.216 nan 8.150 nan 0.000 0.489 778 M N 0.231 119.859 119.600 0.047 0.000 2.573 778 M HA 0.633 5.116 4.480 0.004 0.000 0.309 778 M C 0.545 176.900 176.300 0.091 0.000 1.202 778 M CA 0.397 55.739 55.300 0.071 0.000 0.975 778 M CB 2.135 34.775 32.600 0.067 0.000 1.600 778 M HN 1.101 nan 8.290 nan 0.000 0.479 779 G N -0.160 108.686 108.800 0.076 0.000 2.343 779 G HA2 0.249 4.212 3.960 0.004 0.000 0.289 779 G HA3 0.249 4.212 3.960 0.004 0.000 0.289 779 G C -1.851 173.054 174.900 0.009 0.000 1.295 779 G CA -1.009 44.110 45.100 0.031 0.000 0.869 779 G HN 0.560 nan 8.290 nan 0.000 0.522 780 V N 1.701 121.566 119.914 -0.081 0.000 2.389 780 V HA 0.366 4.489 4.120 0.004 0.000 0.264 780 V C 1.304 177.337 176.094 -0.102 0.000 1.049 780 V CA 0.282 62.488 62.300 -0.156 0.000 0.932 780 V CB -0.082 31.594 31.823 -0.244 0.000 1.011 780 V HN 0.877 nan 8.190 nan 0.000 0.475 781 F N 3.710 123.602 119.950 -0.096 0.000 2.661 781 F HA 0.538 5.067 4.527 0.004 0.000 0.298 781 F C 0.282 176.094 175.800 0.019 0.000 1.137 781 F CA 0.108 58.103 58.000 -0.007 0.000 1.454 781 F CB 0.089 39.083 39.000 -0.010 0.000 1.103 781 F HN 0.280 nan 8.300 nan 0.000 0.577 782 L N 0.827 121.523 121.223 -0.879 0.000 2.666 782 L HA 0.103 4.445 4.340 0.004 0.000 0.259 782 L C 1.045 177.663 176.870 -0.419 0.000 0.919 782 L CA -0.175 54.289 54.840 -0.626 0.000 0.927 782 L CB 2.034 43.690 42.059 -0.671 0.000 1.423 782 L HN 0.115 nan 8.230 nan 0.000 0.426 783 T N -2.298 112.117 114.554 -0.231 0.000 2.946 783 T HA -0.122 4.231 4.350 0.004 0.000 0.271 783 T C 0.890 175.544 174.700 -0.076 0.000 1.104 783 T CA 1.495 63.549 62.100 -0.077 0.000 1.114 783 T CB -0.406 68.490 68.868 0.046 0.000 0.867 783 T HN 0.659 nan 8.240 nan 0.000 0.513 784 N N 0.817 119.427 118.700 -0.150 0.000 2.380 784 N HA 0.032 4.774 4.740 0.004 0.000 0.255 784 N C 0.966 176.330 175.510 -0.244 0.000 1.158 784 N CA -0.640 52.300 53.050 -0.183 0.000 0.878 784 N CB -0.764 37.653 38.487 -0.117 0.000 1.138 784 N HN 0.716 nan 8.380 nan 0.000 0.509 785 Y N -0.757 119.345 120.300 -0.331 0.000 2.403 785 Y HA 0.034 4.587 4.550 0.004 0.000 0.291 785 Y C 1.714 177.462 175.900 -0.253 0.000 1.143 785 Y CA 0.869 58.804 58.100 -0.273 0.000 1.257 785 Y CB -0.661 37.663 38.460 -0.228 0.000 0.984 785 Y HN 0.066 nan 8.280 nan 0.000 0.550 786 N N 0.644 118.832 118.700 -0.852 0.000 2.409 786 N HA -0.069 4.673 4.740 0.004 0.000 0.179 786 N C 0.948 176.231 175.510 -0.377 0.000 1.032 786 N CA 1.054 53.676 53.050 -0.714 0.000 0.898 786 N CB -0.034 38.000 38.487 -0.756 0.000 0.971 786 N HN 0.293 nan 8.380 nan 0.000 0.441 787 V N 0.121 119.870 119.914 -0.276 0.000 3.647 787 V HA 0.257 4.380 4.120 0.004 0.000 0.279 787 V C 0.238 176.269 176.094 -0.105 0.000 1.314 787 V CA 0.181 62.384 62.300 -0.162 0.000 1.125 787 V CB -0.442 31.307 31.823 -0.124 0.000 0.907 787 V HN 0.137 nan 8.190 nan 0.000 0.434 788 R N 0.907 121.345 120.500 -0.103 0.000 2.387 788 R HA 0.583 4.926 4.340 0.004 0.000 0.314 788 R C -0.551 175.718 176.300 -0.053 0.000 0.958 788 R CA -0.424 55.655 56.100 -0.035 0.000 0.846 788 R CB 1.483 31.807 30.300 0.040 0.000 1.147 788 R HN 0.118 nan 8.270 nan 0.000 0.447 789 M N 4.387 123.970 119.600 -0.029 0.000 2.152 789 M HA 0.207 4.689 4.480 0.004 0.000 0.354 789 M C -1.091 175.193 176.300 -0.026 0.000 1.173 789 M CA -0.609 54.670 55.300 -0.036 0.000 1.110 789 M CB 0.412 33.008 32.600 -0.007 0.000 1.366 789 M HN 0.585 nan 8.290 nan 0.000 0.415 790 D N 0.684 121.048 120.400 -0.060 0.000 2.645 790 D HA 0.315 4.957 4.640 0.004 0.000 0.228 790 D C -0.529 175.694 176.300 -0.128 0.000 1.148 790 D CA -0.639 53.313 54.000 -0.078 0.000 0.860 790 D CB 0.534 41.282 40.800 -0.087 0.000 1.548 790 D HN 0.312 nan 8.370 nan 0.000 0.460 791 T N 0.446 114.923 114.554 -0.128 0.000 2.642 791 T HA 0.223 4.576 4.350 0.004 0.000 0.258 791 T C 0.776 175.369 174.700 -0.178 0.000 1.022 791 T CA -0.239 61.767 62.100 -0.156 0.000 1.266 791 T CB -1.050 67.750 68.868 -0.114 0.000 0.987 791 T HN 0.505 nan 8.240 nan 0.000 0.518 792 M N 0.396 119.863 119.600 -0.222 0.000 4.047 792 M HA -0.125 4.358 4.480 0.004 0.000 0.157 792 M C -0.268 175.909 176.300 -0.205 0.000 1.532 792 M CA 0.558 55.720 55.300 -0.231 0.000 1.097 792 M CB -1.109 31.474 32.600 -0.028 0.000 1.346 792 M HN 0.991 nan 8.290 nan 0.000 0.190 793 A N 4.162 126.896 122.820 -0.144 0.000 2.488 793 A HA 0.764 5.087 4.320 0.004 0.000 0.295 793 A C -0.984 176.670 177.584 0.117 0.000 1.045 793 A CA -0.836 51.145 52.037 -0.093 0.000 0.703 793 A CB 1.470 20.473 19.000 0.004 0.000 1.271 793 A HN 0.745 nan 8.150 nan 0.000 0.400 794 N N 1.535 120.285 118.700 0.082 0.000 2.417 794 N HA 0.598 5.341 4.740 0.004 0.000 0.274 794 N C -1.534 174.045 175.510 0.115 0.000 0.987 794 N CA -0.164 52.980 53.050 0.157 0.000 0.912 794 N CB 1.746 40.318 38.487 0.142 0.000 1.177 794 N HN 0.498 nan 8.380 nan 0.000 0.490 795 I N 2.126 122.751 120.570 0.090 0.000 2.608 795 I HA 0.315 4.487 4.170 0.004 0.000 0.295 795 I C -0.353 175.775 176.117 0.018 0.000 1.049 795 I CA -0.649 60.631 61.300 -0.032 0.000 1.063 795 I CB 1.926 39.720 38.000 -0.343 0.000 1.248 795 I HN 0.279 nan 8.210 nan 0.000 0.424 796 L N 5.560 126.793 121.223 0.018 0.000 2.349 796 L HA 0.216 4.559 4.340 0.004 0.000 0.275 796 L C 0.531 177.446 176.870 0.075 0.000 1.115 796 L CA 0.473 55.377 54.840 0.106 0.000 0.820 796 L CB 0.381 42.507 42.059 0.110 0.000 1.135 796 L HN 0.496 nan 8.230 nan 0.000 0.445 797 Y N 3.493 123.758 120.300 -0.059 0.000 2.145 797 Y HA -0.168 4.385 4.550 0.004 0.000 0.286 797 Y C 0.287 175.886 175.900 -0.502 0.000 1.145 797 Y CA 1.705 59.650 58.100 -0.258 0.000 1.148 797 Y CB -0.108 38.254 38.460 -0.163 0.000 0.981 797 Y HN 0.479 nan 8.280 nan 0.000 0.507 798 Y N -0.683 119.715 120.300 0.164 0.000 2.584 798 Y HA 0.367 4.919 4.550 0.004 0.000 0.358 798 Y C -2.448 173.461 175.900 0.015 0.000 1.028 798 Y CA -3.059 55.078 58.100 0.063 0.000 1.148 798 Y CB 0.293 38.778 38.460 0.041 0.000 1.126 798 Y HN -0.113 nan 8.280 nan 0.000 0.658 799 P HA 0.057 nan 4.420 nan 0.000 0.266 799 P C -0.533 176.813 177.300 0.076 0.000 1.195 799 P CA 0.265 63.402 63.100 0.062 0.000 0.768 799 P CB 0.694 32.390 31.700 -0.007 0.000 0.838 800 Q N 1.585 121.452 119.800 0.112 0.000 2.356 800 Q HA 0.258 4.600 4.340 0.004 0.000 0.270 800 Q C -0.293 175.849 176.000 0.237 0.000 1.058 800 Q CA -1.106 54.782 55.803 0.142 0.000 0.802 800 Q CB 2.251 31.063 28.738 0.123 0.000 1.303 800 Q HN 0.378 nan 8.270 nan 0.000 0.444 801 K N 1.763 122.240 120.400 0.127 0.000 2.326 801 K HA 0.365 4.688 4.320 0.004 0.000 0.275 801 K C -2.391 174.263 176.600 0.090 0.000 1.018 801 K CA -1.467 54.871 56.287 0.085 0.000 0.962 801 K CB 0.288 32.801 32.500 0.022 0.000 0.953 801 K HN 0.190 nan 8.250 nan 0.000 0.475 802 P HA -0.004 nan 4.420 nan 0.000 0.271 802 P C 0.521 177.759 177.300 -0.104 0.000 1.216 802 P CA -0.188 62.742 63.100 -0.282 0.000 0.771 802 P CB 0.816 31.983 31.700 -0.889 0.000 0.864 803 L N 1.655 122.874 121.223 -0.005 0.000 2.265 803 L HA -0.029 4.314 4.340 0.004 0.000 0.215 803 L C 1.557 178.380 176.870 -0.078 0.000 1.117 803 L CA 1.325 56.149 54.840 -0.026 0.000 0.782 803 L CB -0.681 41.379 42.059 0.001 0.000 0.914 803 L HN 0.527 nan 8.230 nan 0.000 0.441 804 G N 0.121 108.850 108.800 -0.118 0.000 2.547 804 G HA2 0.432 4.395 3.960 0.004 0.000 0.327 804 G HA3 0.432 4.395 3.960 0.004 0.000 0.327 804 G C -0.009 174.722 174.900 -0.281 0.000 1.118 804 G CA -0.185 44.807 45.100 -0.179 0.000 1.022 804 G HN 0.086 nan 8.290 nan 0.000 0.464 805 T N -0.825 113.563 114.554 -0.276 0.000 2.910 805 T HA 0.793 5.146 4.350 0.004 0.000 0.279 805 T C -0.029 174.461 174.700 -0.350 0.000 0.989 805 T CA -0.655 61.258 62.100 -0.311 0.000 0.968 805 T CB 2.119 70.842 68.868 -0.243 0.000 1.135 805 T HN 0.211 nan 8.240 nan 0.000 0.562 806 T N 1.072 115.419 114.554 -0.344 0.000 2.881 806 T HA 0.410 4.763 4.350 0.004 0.000 0.290 806 T C 0.845 175.323 174.700 -0.371 0.000 1.000 806 T CA -0.850 61.043 62.100 -0.344 0.000 0.978 806 T CB 1.750 70.435 68.868 -0.306 0.000 0.997 806 T HN 0.448 nan 8.240 nan 0.000 0.443 807 R N 1.621 121.817 120.500 -0.506 0.000 2.397 807 R HA 0.008 4.351 4.340 0.004 0.000 0.213 807 R C 1.332 177.247 176.300 -0.642 0.000 1.102 807 R CA 0.336 55.950 56.100 -0.810 0.000 1.040 807 R CB -0.718 28.650 30.300 -1.553 0.000 0.844 807 R HN 0.701 nan 8.270 nan 0.000 0.478 808 A N -1.193 121.470 122.820 -0.262 0.000 2.431 808 A HA 0.210 4.533 4.320 0.004 0.000 0.239 808 A C 1.634 179.203 177.584 -0.025 0.000 1.230 808 A CA -0.304 51.786 52.037 0.089 0.000 0.928 808 A CB 0.184 19.287 19.000 0.172 0.000 1.006 808 A HN 0.129 nan 8.150 nan 0.000 0.520 809 M N -0.866 118.630 119.600 -0.173 0.000 2.476 809 M HA 0.012 4.495 4.480 0.004 0.000 0.262 809 M C 1.827 178.027 176.300 -0.167 0.000 1.111 809 M CA 0.953 56.168 55.300 -0.143 0.000 1.127 809 M CB 0.028 32.518 32.600 -0.185 0.000 1.376 809 M HN 0.636 nan 8.290 nan 0.000 0.465 810 E N 0.435 120.414 120.200 -0.370 0.000 2.153 810 E HA -0.202 4.151 4.350 0.004 0.000 0.194 810 E C 1.196 177.444 176.600 -0.586 0.000 0.988 810 E CA 1.521 57.611 56.400 -0.515 0.000 0.811 810 E CB 0.114 29.373 29.700 -0.736 0.000 0.746 810 E HN 0.599 nan 8.360 nan 0.000 0.466 811 Y N -0.401 119.829 120.300 -0.117 0.000 2.476 811 Y HA 0.129 4.681 4.550 0.004 0.000 0.283 811 Y C 1.706 177.529 175.900 -0.130 0.000 1.109 811 Y CA 0.169 58.135 58.100 -0.223 0.000 1.246 811 Y CB 0.244 38.292 38.460 -0.687 0.000 1.068 811 Y HN -0.020 nan 8.280 nan 0.000 0.552 812 L N 0.613 121.851 121.223 0.026 0.000 2.645 812 L HA 0.009 4.351 4.340 0.004 0.000 0.235 812 L C 0.427 177.470 176.870 0.289 0.000 1.150 812 L CA 0.296 55.216 54.840 0.133 0.000 0.911 812 L CB -0.275 41.848 42.059 0.106 0.000 1.077 812 L HN 0.154 nan 8.230 nan 0.000 0.438 813 K N -1.461 119.055 120.400 0.194 0.000 2.971 813 K HA -0.292 4.031 4.320 0.004 0.000 0.265 813 K C 0.946 177.595 176.600 0.082 0.000 1.052 813 K CA 0.857 57.240 56.287 0.160 0.000 0.780 813 K CB -2.328 30.302 32.500 0.217 0.000 1.214 813 K HN 0.268 nan 8.250 nan 0.000 0.478 814 F N 1.694 121.646 119.950 0.004 0.000 2.065 814 F HA -0.217 4.312 4.527 0.004 0.000 0.298 814 F C 2.327 178.077 175.800 -0.084 0.000 1.112 814 F CA 1.885 59.865 58.000 -0.032 0.000 1.212 814 F CB 0.013 38.968 39.000 -0.076 0.000 0.975 814 F HN 0.103 nan 8.300 nan 0.000 0.476 815 R N -0.154 120.394 120.500 0.079 0.000 2.200 815 R HA -0.170 4.173 4.340 0.004 0.000 0.234 815 R C 1.659 177.903 176.300 -0.094 0.000 1.127 815 R CA 1.511 57.608 56.100 -0.006 0.000 0.989 815 R CB -0.488 29.807 30.300 -0.007 0.000 0.869 815 R HN 0.340 nan 8.270 nan 0.000 0.459 816 E N 0.126 120.246 120.200 -0.133 0.000 2.190 816 E HA 0.086 4.438 4.350 0.004 0.000 0.191 816 E C 0.464 176.808 176.600 -0.427 0.000 0.978 816 E CA 0.664 56.946 56.400 -0.196 0.000 0.839 816 E CB 0.408 30.083 29.700 -0.042 0.000 0.787 816 E HN 0.157 nan 8.360 nan 0.000 0.473 817 L N 1.700 122.618 121.223 -0.509 0.000 2.783 817 L HA 0.321 4.664 4.340 0.004 0.000 0.265 817 L C -2.401 174.165 176.870 -0.507 0.000 1.398 817 L CA -1.612 52.906 54.840 -0.538 0.000 0.802 817 L CB 1.003 42.639 42.059 -0.706 0.000 1.126 817 L HN -0.094 nan 8.230 nan 0.000 0.529 818 P HA 0.071 nan 4.420 nan 0.000 0.268 818 P C -0.459 176.649 177.300 -0.320 0.000 1.208 818 P CA -0.061 62.677 63.100 -0.603 0.000 0.777 818 P CB 1.440 33.029 31.700 -0.186 0.000 0.875 819 A N 1.549 124.250 122.820 -0.198 0.000 2.763 819 A HA 0.699 5.021 4.320 0.004 0.000 0.325 819 A C 0.083 177.858 177.584 0.318 0.000 1.209 819 A CA -0.000 52.088 52.037 0.085 0.000 0.764 819 A CB 0.091 19.144 19.000 0.090 0.000 1.120 819 A HN 0.847 nan 8.150 nan 0.000 0.463 820 G N 0.387 109.313 108.800 0.211 0.000 2.333 820 G HA2 0.372 4.335 3.960 0.004 0.000 0.330 820 G HA3 0.372 4.335 3.960 0.004 0.000 0.330 820 G C -1.365 173.336 174.900 -0.333 0.000 1.465 820 G CA -0.834 44.219 45.100 -0.079 0.000 0.996 820 G HN 0.712 nan 8.290 nan 0.000 0.655 821 Q N -0.663 118.898 119.800 -0.400 0.000 2.351 821 Q HA 0.497 4.839 4.340 0.004 0.000 0.273 821 Q C -0.449 175.328 176.000 -0.372 0.000 1.077 821 Q CA -1.045 54.510 55.803 -0.414 0.000 0.843 821 Q CB 1.636 29.896 28.738 -0.796 0.000 1.367 821 Q HN 0.400 nan 8.270 nan 0.000 0.449 822 N N 1.078 119.690 118.700 -0.146 0.000 3.083 822 N HA 0.282 5.025 4.740 0.004 0.000 0.260 822 N C -1.356 174.095 175.510 -0.098 0.000 1.163 822 N CA 0.046 53.092 53.050 -0.007 0.000 1.060 822 N CB 0.785 39.328 38.487 0.093 0.000 1.345 822 N HN 0.533 nan 8.380 nan 0.000 0.515 823 A N 2.121 124.862 122.820 -0.132 0.000 2.371 823 A HA 0.359 4.681 4.320 0.004 0.000 0.257 823 A C 0.474 177.944 177.584 -0.190 0.000 1.089 823 A CA -0.385 51.540 52.037 -0.187 0.000 0.794 823 A CB 0.505 19.381 19.000 -0.206 0.000 1.029 823 A HN 0.408 nan 8.150 nan 0.000 0.488 824 I N 3.349 123.790 120.570 -0.215 0.000 2.347 824 I HA 0.154 4.327 4.170 0.004 0.000 0.294 824 I C 0.005 175.847 176.117 -0.459 0.000 1.090 824 I CA 0.291 61.409 61.300 -0.302 0.000 1.314 824 I CB -0.141 37.742 38.000 -0.194 0.000 1.423 824 I HN 0.216 nan 8.210 nan 0.000 0.503 825 V N 5.707 125.318 119.914 -0.505 0.000 2.612 825 V HA 0.769 4.892 4.120 0.004 0.000 0.301 825 V C 0.395 176.125 176.094 -0.606 0.000 1.046 825 V CA -0.723 61.291 62.300 -0.477 0.000 0.946 825 V CB 1.881 33.518 31.823 -0.309 0.000 1.003 825 V HN 0.842 nan 8.190 nan 0.000 0.459 826 A N 4.622 127.201 122.820 -0.402 0.000 2.357 826 A HA 0.744 5.066 4.320 0.004 0.000 0.295 826 A C -0.721 176.817 177.584 -0.078 0.000 1.121 826 A CA -0.487 51.400 52.037 -0.251 0.000 0.742 826 A CB 0.654 19.577 19.000 -0.127 0.000 1.181 826 A HN 0.753 nan 8.150 nan 0.000 0.454 827 I N 2.671 123.245 120.570 0.007 0.000 2.294 827 I HA 0.462 4.635 4.170 0.004 0.000 0.295 827 I C 0.532 176.657 176.117 0.014 0.000 1.098 827 I CA 0.474 61.779 61.300 0.008 0.000 1.277 827 I CB 0.547 38.548 38.000 0.002 0.000 1.434 827 I HN 0.747 nan 8.210 nan 0.000 0.498 828 A N 5.162 127.990 122.820 0.012 0.000 2.594 828 A HA 0.446 4.768 4.320 0.004 0.000 0.296 828 A C -1.066 176.562 177.584 0.072 0.000 1.061 828 A CA -0.494 51.565 52.037 0.037 0.000 0.689 828 A CB 1.097 20.125 19.000 0.047 0.000 1.280 828 A HN 0.592 nan 8.150 nan 0.000 0.406 829 C N 2.680 122.026 119.300 0.076 0.000 2.520 829 C HA 0.477 4.940 4.460 0.004 0.000 0.369 829 C C 0.639 175.765 174.990 0.227 0.000 1.244 829 C CA 0.330 59.416 59.018 0.113 0.000 1.677 829 C CB -1.919 25.858 27.740 0.062 0.000 2.324 829 C HN 0.792 nan 8.230 nan 0.000 0.557 830 Y N 2.424 122.766 120.300 0.071 0.000 3.056 830 Y HA 0.194 4.747 4.550 0.004 0.000 0.294 830 Y C 2.293 178.272 175.900 0.132 0.000 1.275 830 Y CA 0.691 58.842 58.100 0.084 0.000 1.148 830 Y CB -0.534 37.999 38.460 0.122 0.000 1.085 830 Y HN 0.525 nan 8.280 nan 0.000 0.747 831 S N 0.205 115.996 115.700 0.152 0.000 2.584 831 S HA 0.067 4.540 4.470 0.004 0.000 0.240 831 S C 1.472 176.253 174.600 0.301 0.000 0.975 831 S CA 0.883 59.196 58.200 0.189 0.000 0.949 831 S CB -1.093 62.395 63.200 0.479 0.000 0.761 831 S HN 1.328 nan 8.310 nan 0.000 0.536 832 G N -0.114 108.821 108.800 0.226 0.000 2.143 832 G HA2 -0.306 3.657 3.960 0.004 0.000 0.248 832 G HA3 -0.306 3.657 3.960 0.004 0.000 0.248 832 G C -0.020 174.906 174.900 0.044 0.000 0.991 832 G CA 0.373 45.542 45.100 0.116 0.000 0.689 832 G HN 0.617 nan 8.290 nan 0.000 0.522 833 Y N 0.998 121.345 120.300 0.079 0.000 2.811 833 Y HA 0.390 4.942 4.550 0.004 0.000 0.330 833 Y C 1.103 177.013 175.900 0.016 0.000 1.081 833 Y CA -0.115 58.005 58.100 0.034 0.000 1.408 833 Y CB 0.419 38.877 38.460 -0.003 0.000 1.235 833 Y HN 0.468 nan 8.280 nan 0.000 0.529 834 N N -1.555 117.216 118.700 0.118 0.000 2.581 834 N HA 0.094 4.836 4.740 0.004 0.000 0.274 834 N C -0.811 174.740 175.510 0.069 0.000 1.629 834 N CA -0.289 52.814 53.050 0.089 0.000 0.884 834 N CB -0.377 38.167 38.487 0.096 0.000 1.423 834 N HN 0.206 nan 8.380 nan 0.000 0.507 835 Q N 0.223 120.048 119.800 0.041 0.000 2.166 835 Q HA 0.372 4.714 4.340 0.004 0.000 0.226 835 Q C -0.233 175.782 176.000 0.024 0.000 0.989 835 Q CA -0.605 55.222 55.803 0.039 0.000 0.966 835 Q CB 0.724 29.468 28.738 0.009 0.000 1.173 835 Q HN 0.132 nan 8.270 nan 0.000 0.509 836 E N 2.036 122.246 120.200 0.017 0.000 2.122 836 E HA -0.307 4.045 4.350 0.004 0.000 0.198 836 E C -0.952 175.656 176.600 0.013 0.000 1.352 836 E CA 1.357 57.760 56.400 0.004 0.000 0.705 836 E CB -1.460 28.231 29.700 -0.015 0.000 1.084 836 E HN 0.735 nan 8.360 nan 0.000 0.337 837 D N -2.391 118.029 120.400 0.032 0.000 3.090 837 D HA -0.157 4.485 4.640 0.004 0.000 0.215 837 D C -0.157 176.171 176.300 0.048 0.000 1.140 837 D CA 1.422 55.446 54.000 0.040 0.000 0.937 837 D CB -1.628 39.187 40.800 0.025 0.000 1.108 837 D HN 0.501 nan 8.370 nan 0.000 0.420 838 S N -0.040 115.687 115.700 0.045 0.000 2.541 838 S HA 0.717 5.190 4.470 0.004 0.000 0.283 838 S C 0.406 175.042 174.600 0.059 0.000 1.196 838 S CA -0.938 57.293 58.200 0.051 0.000 1.062 838 S CB 2.410 65.633 63.200 0.039 0.000 1.009 838 S HN 0.306 nan 8.310 nan 0.000 0.502 839 M N 1.524 121.159 119.600 0.060 0.000 2.598 839 M HA 0.626 5.108 4.480 0.004 0.000 0.317 839 M C -1.377 174.919 176.300 -0.006 0.000 1.179 839 M CA -0.872 54.446 55.300 0.030 0.000 0.936 839 M CB 1.179 33.791 32.600 0.020 0.000 1.713 839 M HN 0.510 nan 8.290 nan 0.000 0.460 840 I N 2.845 123.398 120.570 -0.028 0.000 2.331 840 I HA 0.417 4.589 4.170 0.004 0.000 0.292 840 I C -0.503 175.555 176.117 -0.097 0.000 0.998 840 I CA -0.309 60.948 61.300 -0.073 0.000 1.267 840 I CB 1.599 39.589 38.000 -0.017 0.000 1.386 840 I HN 0.770 nan 8.210 nan 0.000 0.476 841 M N 5.940 125.470 119.600 -0.116 0.000 2.456 841 M HA 0.352 4.834 4.480 0.004 0.000 0.324 841 M C -0.359 175.909 176.300 -0.055 0.000 1.124 841 M CA -0.691 54.540 55.300 -0.115 0.000 0.959 841 M CB 1.641 34.151 32.600 -0.150 0.000 1.692 841 M HN 0.453 nan 8.290 nan 0.000 0.444 842 N N 2.807 121.485 118.700 -0.037 0.000 2.406 842 N HA -0.047 4.696 4.740 0.004 0.000 0.274 842 N C 0.565 176.079 175.510 0.007 0.000 1.249 842 N CA 0.294 53.351 53.050 0.011 0.000 0.951 842 N CB 0.747 39.231 38.487 -0.006 0.000 1.241 842 N HN 0.661 nan 8.380 nan 0.000 0.485 843 Q N 2.322 122.142 119.800 0.033 0.000 2.234 843 Q HA -0.128 4.214 4.340 0.004 0.000 0.206 843 Q C 1.129 177.137 176.000 0.014 0.000 0.980 843 Q CA 1.650 57.467 55.803 0.023 0.000 0.869 843 Q CB -0.083 28.680 28.738 0.042 0.000 0.912 843 Q HN 0.664 nan 8.270 nan 0.000 0.436 844 S N -0.244 115.468 115.700 0.019 0.000 2.345 844 S HA -0.150 4.323 4.470 0.004 0.000 0.220 844 S C 1.883 176.472 174.600 -0.018 0.000 1.031 844 S CA 1.311 59.514 58.200 0.004 0.000 0.996 844 S CB -0.573 62.635 63.200 0.012 0.000 0.882 844 S HN 0.727 nan 8.310 nan 0.000 0.445 845 S N 1.548 117.231 115.700 -0.028 0.000 2.469 845 S HA 0.044 4.517 4.470 0.004 0.000 0.238 845 S C 1.701 176.264 174.600 -0.060 0.000 0.998 845 S CA 0.596 58.762 58.200 -0.057 0.000 0.957 845 S CB -0.703 62.451 63.200 -0.076 0.000 0.764 845 S HN 0.453 nan 8.310 nan 0.000 0.514 846 I N 1.982 122.531 120.570 -0.034 0.000 2.233 846 I HA -0.126 4.046 4.170 0.004 0.000 0.243 846 I C 2.084 178.182 176.117 -0.031 0.000 1.093 846 I CA 1.465 62.753 61.300 -0.020 0.000 1.380 846 I CB -0.589 37.414 38.000 0.004 0.000 1.067 846 I HN 0.199 nan 8.210 nan 0.000 0.413 847 D N 1.033 121.418 120.400 -0.025 0.000 2.158 847 D HA -0.173 4.469 4.640 0.004 0.000 0.197 847 D C 2.100 178.377 176.300 -0.038 0.000 0.995 847 D CA 1.148 55.133 54.000 -0.025 0.000 0.846 847 D CB -0.217 40.573 40.800 -0.016 0.000 0.941 847 D HN 0.275 nan 8.370 nan 0.000 0.456 848 R N -0.752 119.715 120.500 -0.054 0.000 2.323 848 R HA 0.204 4.547 4.340 0.004 0.000 0.198 848 R C 1.247 177.480 176.300 -0.112 0.000 0.988 848 R CA 0.737 56.790 56.100 -0.079 0.000 1.041 848 R CB 0.396 30.641 30.300 -0.092 0.000 0.926 848 R HN 0.269 nan 8.270 nan 0.000 0.476 849 G N 1.013 109.761 108.800 -0.086 0.000 2.211 849 G HA2 -0.230 3.733 3.960 0.004 0.000 0.201 849 G HA3 -0.230 3.733 3.960 0.004 0.000 0.201 849 G C -0.000 174.866 174.900 -0.057 0.000 0.997 849 G CA -0.388 44.671 45.100 -0.068 0.000 0.652 849 G HN 0.230 nan 8.290 nan 0.000 0.500 850 L N 1.532 122.689 121.223 -0.110 0.000 2.640 850 L HA 0.502 4.845 4.340 0.004 0.000 0.280 850 L C 1.024 177.881 176.870 -0.021 0.000 1.229 850 L CA 0.927 55.659 54.840 -0.181 0.000 0.919 850 L CB -0.658 41.281 42.059 -0.200 0.000 1.168 850 L HN 0.615 nan 8.230 nan 0.000 0.496 851 F N 3.243 123.216 119.950 0.038 0.000 3.027 851 F HA -0.289 4.240 4.527 0.004 0.000 0.276 851 F C 0.867 176.713 175.800 0.078 0.000 0.967 851 F CA 0.437 58.500 58.000 0.105 0.000 0.929 851 F CB -0.910 38.206 39.000 0.194 0.000 0.873 851 F HN 0.597 nan 8.300 nan 0.000 0.787 852 R N 0.421 121.007 120.500 0.144 0.000 2.598 852 R HA 0.761 5.104 4.340 0.004 0.000 0.279 852 R C 0.110 176.484 176.300 0.123 0.000 0.984 852 R CA -0.049 56.018 56.100 -0.055 0.000 0.999 852 R CB 2.067 32.014 30.300 -0.588 0.000 1.114 852 R HN 0.247 nan 8.270 nan 0.000 0.493 853 S N 1.358 117.157 115.700 0.166 0.000 2.607 853 S HA 0.544 5.016 4.470 0.004 0.000 0.273 853 S C -0.742 174.034 174.600 0.293 0.000 1.148 853 S CA -0.992 57.388 58.200 0.301 0.000 0.833 853 S CB 1.235 64.536 63.200 0.169 0.000 1.130 853 S HN 0.364 nan 8.310 nan 0.000 0.470 854 L N 1.270 122.602 121.223 0.182 0.000 2.387 854 L HA 0.730 5.072 4.340 0.004 0.000 0.266 854 L C -1.014 175.826 176.870 -0.049 0.000 1.059 854 L CA -0.861 53.959 54.840 -0.033 0.000 0.801 854 L CB 1.202 43.120 42.059 -0.234 0.000 1.223 854 L HN 0.788 nan 8.230 nan 0.000 0.456 855 F N 1.985 121.691 119.950 -0.407 0.000 2.828 855 F HA 0.504 5.033 4.527 0.003 0.000 0.355 855 F C -1.445 174.169 175.800 -0.311 0.000 1.200 855 F CA -0.831 57.027 58.000 -0.237 0.000 1.062 855 F CB 0.685 39.614 39.000 -0.119 0.000 1.351 855 F HN 0.053 nan 8.300 nan 0.000 0.504 856 F N 5.004 124.625 119.950 -0.549 0.000 2.404 856 F HA 0.648 5.178 4.527 0.005 0.000 0.339 856 F C 0.262 175.571 175.800 -0.818 0.000 1.105 856 F CA -0.665 57.026 58.000 -0.514 0.000 1.087 856 F CB 1.453 40.328 39.000 -0.209 0.000 1.143 856 F HN 0.380 nan 8.300 nan 0.000 0.491 857 R N 1.381 121.614 120.500 -0.445 0.000 2.514 857 R HA 0.487 4.830 4.340 0.004 0.000 0.296 857 R C -1.529 174.580 176.300 -0.317 0.000 1.012 857 R CA -0.511 55.309 56.100 -0.467 0.000 0.897 857 R CB 1.670 31.677 30.300 -0.488 0.000 1.184 857 R HN 0.822 nan 8.270 nan 0.000 0.440 858 S N 3.408 118.927 115.700 -0.300 0.000 2.456 858 S HA 0.455 4.928 4.470 0.004 0.000 0.316 858 S C -0.775 173.688 174.600 -0.228 0.000 1.089 858 S CA -0.777 57.322 58.200 -0.169 0.000 1.101 858 S CB 0.725 63.876 63.200 -0.081 0.000 0.995 858 S HN 0.388 nan 8.310 nan 0.000 0.468 859 Y N 2.391 122.656 120.300 -0.058 0.000 2.354 859 Y HA 0.701 5.254 4.550 0.005 0.000 0.322 859 Y C 0.472 176.310 175.900 -0.103 0.000 1.253 859 Y CA -1.232 56.832 58.100 -0.060 0.000 1.272 859 Y CB 0.950 39.381 38.460 -0.049 0.000 1.255 859 Y HN 0.649 nan 8.280 nan 0.000 0.500 860 M N 1.828 121.452 119.600 0.040 0.000 2.569 860 M HA 0.471 4.954 4.480 0.004 0.000 0.279 860 M C -2.424 173.817 176.300 -0.098 0.000 1.253 860 M CA -0.336 54.886 55.300 -0.130 0.000 0.867 860 M CB 2.941 35.404 32.600 -0.228 0.000 1.727 860 M HN 0.840 nan 8.290 nan 0.000 0.467 861 D N 0.840 121.135 120.400 -0.176 0.000 2.639 861 D HA 0.488 5.131 4.640 0.004 0.000 0.271 861 D C -1.675 174.690 176.300 0.109 0.000 1.254 861 D CA 0.024 54.040 54.000 0.028 0.000 0.810 861 D CB 2.305 43.218 40.800 0.187 0.000 1.351 861 D HN 0.761 nan 8.370 nan 0.000 0.427 862 Q N -0.051 119.852 119.800 0.171 0.000 3.146 862 Q HA 0.540 4.882 4.340 0.004 0.000 0.318 862 Q C -0.882 175.078 176.000 -0.066 0.000 0.992 862 Q CA -0.819 55.092 55.803 0.181 0.000 0.809 862 Q CB 2.077 30.945 28.738 0.216 0.000 1.490 862 Q HN 0.224 nan 8.270 nan 0.000 0.493 863 E N 1.497 121.647 120.200 -0.083 0.000 2.218 863 E HA 0.231 4.583 4.350 0.004 0.000 0.263 863 E C -1.098 175.454 176.600 -0.080 0.000 0.879 863 E CA -0.461 55.825 56.400 -0.190 0.000 0.762 863 E CB 2.011 31.566 29.700 -0.241 0.000 1.166 863 E HN 0.596 nan 8.360 nan 0.000 0.415 864 K N 2.415 122.769 120.400 -0.077 0.000 2.403 864 K HA -0.325 3.998 4.320 0.004 0.000 0.203 864 K C -0.673 175.918 176.600 -0.015 0.000 1.500 864 K CA 1.157 57.425 56.287 -0.033 0.000 0.779 864 K CB -0.240 32.248 32.500 -0.021 0.000 0.682 864 K HN 0.514 nan 8.250 nan 0.000 0.958 865 K N -2.454 117.950 120.400 0.005 0.000 2.303 865 K HA 0.188 4.510 4.320 0.004 0.000 0.258 865 K C -0.848 175.811 176.600 0.099 0.000 0.846 865 K CA -0.499 55.784 56.287 -0.007 0.000 0.686 865 K CB 0.560 33.042 32.500 -0.030 0.000 1.425 865 K HN 0.471 nan 8.250 nan 0.000 0.345 866 Y N 1.342 121.646 120.300 0.007 0.000 2.547 866 Y HA 0.087 4.639 4.550 0.004 0.000 0.338 866 Y C 0.567 176.468 175.900 0.003 0.000 1.239 866 Y CA -0.533 57.571 58.100 0.006 0.000 1.897 866 Y CB -0.069 38.395 38.460 0.007 0.000 1.808 866 Y HN 0.384 nan 8.280 nan 0.000 0.428 867 G N 3.935 112.827 108.800 0.153 0.000 2.683 867 G HA2 0.318 4.281 3.960 0.004 0.000 0.299 867 G HA3 0.318 4.281 3.960 0.004 0.000 0.299 867 G C -0.909 174.018 174.900 0.044 0.000 1.432 867 G CA -0.930 44.215 45.100 0.076 0.000 0.978 867 G HN 0.454 nan 8.290 nan 0.000 0.513 868 M N 3.534 123.147 119.600 0.021 0.000 2.513 868 M HA 0.191 4.674 4.480 0.004 0.000 0.341 868 M C 1.180 177.486 176.300 0.010 0.000 1.689 868 M CA 0.942 56.246 55.300 0.007 0.000 1.202 868 M CB -0.070 32.528 32.600 -0.004 0.000 1.996 868 M HN 1.376 nan 8.290 nan 0.000 0.458 869 S N 3.269 118.976 115.700 0.011 0.000 3.473 869 S HA -0.177 4.295 4.470 0.004 0.000 0.339 869 S C -0.298 174.307 174.600 0.008 0.000 1.148 869 S CA 1.110 59.315 58.200 0.008 0.000 0.969 869 S CB -2.664 60.539 63.200 0.004 0.000 0.936 869 S HN 0.808 nan 8.310 nan 0.000 0.530 870 I N 1.483 122.060 120.570 0.012 0.000 2.502 870 I HA 0.353 4.526 4.170 0.004 0.000 0.276 870 I C 0.008 176.129 176.117 0.006 0.000 1.057 870 I CA -0.224 61.081 61.300 0.009 0.000 1.163 870 I CB 1.522 39.530 38.000 0.014 0.000 1.288 870 I HN 0.187 nan 8.210 nan 0.000 0.479 871 T N 3.768 118.318 114.554 -0.006 0.000 2.887 871 T HA 0.384 4.736 4.350 0.004 0.000 0.288 871 T C -0.119 174.553 174.700 -0.047 0.000 1.021 871 T CA -0.736 61.351 62.100 -0.022 0.000 1.000 871 T CB 1.991 70.847 68.868 -0.020 0.000 1.034 871 T HN 0.370 nan 8.240 nan 0.000 0.467 872 E N 1.038 121.190 120.200 -0.080 0.000 2.371 872 E HA 0.535 4.887 4.350 0.004 0.000 0.257 872 E C -0.472 176.022 176.600 -0.177 0.000 1.134 872 E CA -0.492 55.835 56.400 -0.122 0.000 0.919 872 E CB 0.751 30.358 29.700 -0.157 0.000 1.025 872 E HN 0.434 nan 8.360 nan 0.000 0.438 873 T N 1.133 115.576 114.554 -0.184 0.000 2.993 873 T HA 0.272 4.625 4.350 0.004 0.000 0.312 873 T C -0.964 173.672 174.700 -0.107 0.000 1.115 873 T CA -0.684 61.316 62.100 -0.166 0.000 1.027 873 T CB 0.464 69.303 68.868 -0.048 0.000 1.116 873 T HN 0.261 nan 8.240 nan 0.000 0.464 874 F N 3.734 123.698 119.950 0.023 0.000 2.439 874 F HA 0.388 4.918 4.527 0.004 0.000 0.356 874 F C 1.115 176.929 175.800 0.023 0.000 1.161 874 F CA -0.377 57.636 58.000 0.021 0.000 1.151 874 F CB 0.364 39.374 39.000 0.017 0.000 1.222 874 F HN 0.557 nan 8.300 nan 0.000 0.558 875 E N 2.118 122.448 120.200 0.217 0.000 2.375 875 E HA 0.211 4.564 4.350 0.004 0.000 0.280 875 E C -1.546 175.125 176.600 0.119 0.000 0.972 875 E CA -1.345 55.133 56.400 0.130 0.000 0.782 875 E CB 1.544 31.294 29.700 0.084 0.000 1.229 875 E HN 0.309 nan 8.360 nan 0.000 0.439 876 K N 3.327 123.783 120.400 0.094 0.000 2.315 876 K HA 0.194 4.517 4.320 0.004 0.000 0.291 876 K C -1.855 174.766 176.600 0.036 0.000 1.074 876 K CA -1.411 54.938 56.287 0.104 0.000 0.936 876 K CB 0.368 32.922 32.500 0.090 0.000 1.049 876 K HN 0.389 nan 8.250 nan 0.000 0.471 877 P HA -0.010 nan 4.420 nan 0.000 0.275 877 P C -1.177 176.034 177.300 -0.149 0.000 1.270 877 P CA -0.028 63.027 63.100 -0.075 0.000 0.791 877 P CB 0.536 32.184 31.700 -0.086 0.000 1.089 878 Q N -0.106 119.616 119.800 -0.130 0.000 4.082 878 Q HA 0.192 4.535 4.340 0.004 0.000 0.180 878 Q C -0.130 175.809 176.000 -0.103 0.000 0.863 878 Q CA -0.695 55.031 55.803 -0.128 0.000 0.772 878 Q CB 1.180 29.870 28.738 -0.079 0.000 1.527 878 Q HN 0.333 nan 8.270 nan 0.000 0.441 879 R N -0.303 120.125 120.500 -0.121 0.000 3.793 879 R HA -0.222 4.120 4.340 0.004 0.000 0.464 879 R C -0.236 176.029 176.300 -0.058 0.000 0.241 879 R CA 1.770 57.820 56.100 -0.084 0.000 1.464 879 R CB -2.168 28.089 30.300 -0.072 0.000 0.954 879 R HN 0.793 nan 8.270 nan 0.000 0.583 880 T N 1.491 116.019 114.554 -0.045 0.000 3.455 880 T HA -0.095 4.257 4.350 0.004 0.000 0.416 880 T C 0.465 175.150 174.700 -0.026 0.000 0.766 880 T CA 0.787 62.868 62.100 -0.032 0.000 2.199 880 T CB -0.964 67.886 68.868 -0.030 0.000 1.725 880 T HN 0.625 nan 8.240 nan 0.000 0.751 881 N N -1.221 117.465 118.700 -0.023 0.000 2.292 881 N HA -0.245 4.497 4.740 0.004 0.000 0.219 881 N C 1.336 176.834 175.510 -0.019 0.000 1.011 881 N CA 2.607 55.645 53.050 -0.018 0.000 2.776 881 N CB -1.473 37.006 38.487 -0.014 0.000 0.819 881 N HN 0.658 nan 8.380 nan 0.000 0.457 882 T N 0.939 115.480 114.554 -0.021 0.000 2.866 882 T HA 0.297 4.650 4.350 0.004 0.000 0.250 882 T C 1.556 176.240 174.700 -0.026 0.000 1.033 882 T CA 1.191 63.279 62.100 -0.020 0.000 1.145 882 T CB 0.272 69.130 68.868 -0.017 0.000 0.866 882 T HN 0.412 nan 8.240 nan 0.000 0.434 883 L N -0.994 120.207 121.223 -0.036 0.000 5.188 883 L HA -0.208 4.135 4.340 0.004 0.000 0.431 883 L C 0.589 177.432 176.870 -0.045 0.000 1.017 883 L CA 0.488 55.300 54.840 -0.048 0.000 1.195 883 L CB -1.618 40.416 42.059 -0.043 0.000 1.860 883 L HN 0.190 nan 8.230 nan 0.000 0.691 884 R N 1.569 122.051 120.500 -0.029 0.000 2.842 884 R HA 0.209 4.551 4.340 0.004 0.000 0.260 884 R C 0.334 176.631 176.300 -0.004 0.000 1.495 884 R CA 0.581 56.671 56.100 -0.017 0.000 1.024 884 R CB -0.117 30.180 30.300 -0.006 0.000 1.147 884 R HN 0.411 nan 8.270 nan 0.000 0.553 885 M N 0.751 120.346 119.600 -0.008 0.000 2.561 885 M HA 0.437 4.919 4.480 0.004 0.000 0.266 885 M C -0.140 176.205 176.300 0.075 0.000 0.983 885 M CA -0.790 54.538 55.300 0.047 0.000 1.080 885 M CB 1.288 33.874 32.600 -0.023 0.000 1.554 885 M HN 0.043 nan 8.290 nan 0.000 0.604 886 K N -0.469 120.040 120.400 0.182 0.000 2.400 886 K HA 0.372 4.694 4.320 0.004 0.000 0.246 886 K C 0.496 177.176 176.600 0.133 0.000 0.995 886 K CA -0.894 55.467 56.287 0.123 0.000 0.840 886 K CB 1.667 34.232 32.500 0.109 0.000 1.293 886 K HN 0.514 nan 8.250 nan 0.000 0.445 887 H N 0.705 119.821 119.070 0.077 0.000 2.456 887 H HA -0.056 4.502 4.556 0.003 0.000 0.296 887 H C 0.843 176.203 175.328 0.053 0.000 1.079 887 H CA 1.297 57.380 56.048 0.060 0.000 1.322 887 H CB 0.005 29.785 29.762 0.030 0.000 1.388 887 H HN 0.790 nan 8.280 nan 0.000 0.538 888 G N 0.405 109.281 108.800 0.126 0.000 2.647 888 G HA2 0.025 3.987 3.960 0.004 0.000 0.234 888 G HA3 0.025 3.987 3.960 0.004 0.000 0.234 888 G C -0.251 174.648 174.900 -0.002 0.000 1.252 888 G CA -0.144 44.951 45.100 -0.008 0.000 0.846 888 G HN 0.179 nan 8.290 nan 0.000 0.589 889 T N 1.184 115.712 114.554 -0.043 0.000 2.771 889 T HA 0.259 4.612 4.350 0.004 0.000 0.291 889 T C 0.263 174.931 174.700 -0.053 0.000 0.954 889 T CA -0.037 62.084 62.100 0.035 0.000 1.045 889 T CB 1.001 69.886 68.868 0.028 0.000 0.917 889 T HN 0.432 nan 8.240 nan 0.000 0.484 890 Y N 0.567 120.866 120.300 -0.001 0.000 2.510 890 Y HA 0.073 4.624 4.550 0.002 0.000 0.273 890 Y C 1.988 177.884 175.900 -0.006 0.000 1.119 890 Y CA -0.279 57.818 58.100 -0.006 0.000 1.286 890 Y CB -0.079 38.380 38.460 -0.003 0.000 1.061 890 Y HN 0.569 nan 8.280 nan 0.000 0.542 891 D N 0.677 121.163 120.400 0.145 0.000 2.417 891 D HA -0.156 4.486 4.640 0.004 0.000 0.225 891 D C 1.101 177.427 176.300 0.044 0.000 0.983 891 D CA 1.042 55.090 54.000 0.080 0.000 0.949 891 D CB -0.096 40.740 40.800 0.060 0.000 0.879 891 D HN 0.437 nan 8.370 nan 0.000 0.520 892 K N -0.388 120.028 120.400 0.026 0.000 2.358 892 K HA 0.180 4.503 4.320 0.004 0.000 0.200 892 K C 0.606 177.204 176.600 -0.003 0.000 1.030 892 K CA -0.141 56.147 56.287 0.000 0.000 1.097 892 K CB 0.947 33.432 32.500 -0.025 0.000 0.862 892 K HN 0.054 nan 8.250 nan 0.000 0.534 893 L N 1.266 122.499 121.223 0.017 0.000 2.379 893 L HA 0.178 4.520 4.340 0.004 0.000 0.269 893 L C 0.158 177.042 176.870 0.022 0.000 1.084 893 L CA -0.534 54.315 54.840 0.016 0.000 0.802 893 L CB 0.782 42.869 42.059 0.047 0.000 1.175 893 L HN -0.052 nan 8.230 nan 0.000 0.448 894 D N -0.464 119.942 120.400 0.010 0.000 2.529 894 D HA 0.097 4.740 4.640 0.004 0.000 0.273 894 D C 0.492 176.806 176.300 0.023 0.000 1.197 894 D CA -0.385 53.622 54.000 0.012 0.000 1.070 894 D CB 0.708 41.508 40.800 -0.000 0.000 1.134 894 D HN 0.436 nan 8.370 nan 0.000 0.590 895 D N -0.145 120.269 120.400 0.023 0.000 2.312 895 D HA -0.119 4.523 4.640 0.004 0.000 0.211 895 D C 0.846 177.171 176.300 0.041 0.000 0.964 895 D CA 0.662 54.681 54.000 0.032 0.000 0.877 895 D CB 0.159 40.975 40.800 0.027 0.000 0.924 895 D HN 0.421 nan 8.370 nan 0.000 0.515 896 D N -0.214 120.204 120.400 0.029 0.000 2.355 896 D HA -0.003 4.640 4.640 0.004 0.000 0.218 896 D C 1.569 177.891 176.300 0.037 0.000 1.004 896 D CA 0.810 54.831 54.000 0.035 0.000 0.880 896 D CB -0.123 40.679 40.800 0.003 0.000 0.911 896 D HN 0.196 nan 8.370 nan 0.000 0.528 897 G N 0.013 108.833 108.800 0.032 0.000 2.157 897 G HA2 -0.222 3.741 3.960 0.004 0.000 0.248 897 G HA3 -0.222 3.741 3.960 0.004 0.000 0.248 897 G C -0.088 174.781 174.900 -0.053 0.000 0.979 897 G CA 0.316 45.439 45.100 0.039 0.000 0.650 897 G HN 0.406 nan 8.290 nan 0.000 0.529 898 L N 0.671 121.844 121.223 -0.083 0.000 2.346 898 L HA 0.624 4.966 4.340 0.004 0.000 0.276 898 L C 0.855 177.679 176.870 -0.075 0.000 1.006 898 L CA -1.310 53.457 54.840 -0.122 0.000 0.817 898 L CB 1.778 43.737 42.059 -0.166 0.000 1.272 898 L HN -0.007 nan 8.230 nan 0.000 0.421 899 I N 1.912 122.436 120.570 -0.078 0.000 2.638 899 I HA 0.260 4.432 4.170 0.004 0.000 0.286 899 I C 0.776 176.868 176.117 -0.042 0.000 1.088 899 I CA -0.102 61.166 61.300 -0.054 0.000 1.397 899 I CB 1.306 39.270 38.000 -0.060 0.000 1.414 899 I HN 0.675 nan 8.210 nan 0.000 0.566 900 A N 7.129 129.933 122.820 -0.027 0.000 2.302 900 A HA 0.415 4.737 4.320 0.004 0.000 0.285 900 A C -1.742 175.835 177.584 -0.012 0.000 1.105 900 A CA -1.341 50.685 52.037 -0.019 0.000 0.816 900 A CB 0.248 19.241 19.000 -0.012 0.000 1.067 900 A HN 0.521 nan 8.150 nan 0.000 0.489 901 P HA -0.197 nan 4.420 nan 0.000 0.214 901 P C 1.728 179.034 177.300 0.011 0.000 1.169 901 P CA 2.413 65.516 63.100 0.005 0.000 0.908 901 P CB 0.067 31.770 31.700 0.005 0.000 0.791 902 G N -0.637 108.168 108.800 0.008 0.000 2.462 902 G HA2 -0.169 3.794 3.960 0.004 0.000 0.220 902 G HA3 -0.169 3.794 3.960 0.004 0.000 0.220 902 G C 0.385 175.291 174.900 0.011 0.000 1.121 902 G CA 0.258 45.365 45.100 0.011 0.000 0.758 902 G HN 0.194 nan 8.290 nan 0.000 0.559 903 V N 0.484 120.401 119.914 0.005 0.000 2.720 903 V HA 0.050 4.172 4.120 0.004 0.000 0.307 903 V C 0.885 176.982 176.094 0.005 0.000 1.071 903 V CA 0.008 62.310 62.300 0.002 0.000 1.199 903 V CB 0.639 32.459 31.823 -0.006 0.000 0.900 903 V HN 0.374 nan 8.190 nan 0.000 0.494 904 R N 3.649 124.153 120.500 0.006 0.000 2.221 904 R HA 0.561 4.904 4.340 0.004 0.000 0.327 904 R C -0.522 175.779 176.300 0.001 0.000 1.033 904 R CA -0.409 55.696 56.100 0.009 0.000 0.887 904 R CB 1.157 31.463 30.300 0.011 0.000 1.057 904 R HN 0.755 nan 8.270 nan 0.000 0.455 905 V N 1.182 121.097 119.914 0.002 0.000 3.096 905 V HA 0.900 5.023 4.120 0.004 0.000 0.319 905 V C -0.244 175.850 176.094 0.001 0.000 1.103 905 V CA -0.139 62.154 62.300 -0.011 0.000 1.016 905 V CB 1.783 33.589 31.823 -0.029 0.000 1.090 905 V HN 1.008 nan 8.190 nan 0.000 0.449 906 S N 0.204 115.898 115.700 -0.009 0.000 2.806 906 S HA 0.735 5.207 4.470 0.004 0.000 0.294 906 S C 0.921 175.515 174.600 -0.009 0.000 1.239 906 S CA 0.391 58.593 58.200 0.003 0.000 1.052 906 S CB 0.372 63.575 63.200 0.006 0.000 1.332 906 S HN 2.650 nan 8.310 nan 0.000 0.516 907 G N 1.555 110.354 108.800 -0.002 0.000 2.651 907 G HA2 -0.305 3.657 3.960 0.004 0.000 0.387 907 G HA3 -0.305 3.657 3.960 0.004 0.000 0.387 907 G C 0.138 175.026 174.900 -0.019 0.000 1.291 907 G CA 1.197 46.292 45.100 -0.008 0.000 0.958 907 G HN 1.102 nan 8.290 nan 0.000 0.549 908 E N 1.215 121.397 120.200 -0.030 0.000 2.609 908 E HA 0.291 4.644 4.350 0.004 0.000 0.208 908 E C -0.840 175.704 176.600 -0.093 0.000 1.013 908 E CA -0.199 56.172 56.400 -0.048 0.000 1.093 908 E CB 0.236 29.924 29.700 -0.019 0.000 1.129 908 E HN 0.451 nan 8.360 nan 0.000 0.450 909 D N 1.249 121.592 120.400 -0.095 0.000 2.487 909 D HA -0.033 4.609 4.640 0.004 0.000 0.243 909 D C -0.086 176.089 176.300 -0.209 0.000 1.154 909 D CA 0.192 54.114 54.000 -0.130 0.000 0.876 909 D CB 0.830 41.575 40.800 -0.091 0.000 1.161 909 D HN -0.103 nan 8.370 nan 0.000 0.478 910 V N 4.035 123.762 119.914 -0.313 0.000 2.540 910 V HA -0.037 4.085 4.120 0.004 0.000 0.297 910 V C 1.550 177.480 176.094 -0.274 0.000 1.024 910 V CA 0.366 62.429 62.300 -0.394 0.000 1.105 910 V CB 0.430 31.800 31.823 -0.754 0.000 0.938 910 V HN 0.533 nan 8.190 nan 0.000 0.482 911 I N 4.311 124.721 120.570 -0.267 0.000 3.339 911 I HA 0.275 4.447 4.170 0.004 0.000 0.285 911 I C 0.428 176.438 176.117 -0.179 0.000 1.201 911 I CA 0.838 61.999 61.300 -0.232 0.000 1.434 911 I CB 0.386 38.180 38.000 -0.344 0.000 1.152 911 I HN 0.440 nan 8.210 nan 0.000 0.443 912 I N 0.506 120.979 120.570 -0.161 0.000 2.534 912 I HA 0.404 4.576 4.170 0.004 0.000 0.288 912 I C -0.297 175.820 176.117 -0.000 0.000 1.077 912 I CA -0.567 60.676 61.300 -0.094 0.000 1.051 912 I CB 2.088 40.033 38.000 -0.092 0.000 1.234 912 I HN -0.092 nan 8.210 nan 0.000 0.425 913 G N 5.033 113.882 108.800 0.082 0.000 2.372 913 G HA2 0.652 4.615 3.960 0.004 0.000 0.323 913 G HA3 0.652 4.615 3.960 0.004 0.000 0.323 913 G C -1.221 173.836 174.900 0.262 0.000 1.152 913 G CA -0.384 44.825 45.100 0.182 0.000 0.906 913 G HN 0.590 nan 8.290 nan 0.000 0.460 914 K N 1.016 121.543 120.400 0.211 0.000 2.527 914 K HA 0.598 4.921 4.320 0.004 0.000 0.260 914 K C -1.074 175.566 176.600 0.068 0.000 0.937 914 K CA -0.587 55.792 56.287 0.154 0.000 0.826 914 K CB 2.068 34.654 32.500 0.143 0.000 1.359 914 K HN 0.491 nan 8.250 nan 0.000 0.434 915 T N 1.092 115.654 114.554 0.013 0.000 2.912 915 T HA 0.403 4.755 4.350 0.004 0.000 0.288 915 T C -0.670 174.017 174.700 -0.022 0.000 1.030 915 T CA -0.680 61.421 62.100 0.002 0.000 1.020 915 T CB 1.655 70.523 68.868 0.001 0.000 1.056 915 T HN 0.473 nan 8.240 nan 0.000 0.480 916 T N 4.217 118.764 114.554 -0.012 0.000 3.150 916 T HA 0.330 4.682 4.350 0.004 0.000 0.383 916 T C -2.622 172.072 174.700 -0.009 0.000 1.313 916 T CA -1.171 60.920 62.100 -0.015 0.000 1.235 916 T CB 0.596 69.460 68.868 -0.007 0.000 1.088 916 T HN 0.389 nan 8.240 nan 0.000 0.556 917 P HA 0.173 nan 4.420 nan 0.000 0.263 917 P C -0.347 176.951 177.300 -0.004 0.000 1.276 917 P CA 0.000 63.096 63.100 -0.007 0.000 0.986 917 P CB 0.099 31.794 31.700 -0.008 0.000 1.105 918 I N 2.372 122.941 120.570 -0.002 0.000 2.440 918 I HA 0.113 4.285 4.170 0.004 0.000 0.294 918 I C 1.527 177.644 176.117 0.001 0.000 0.995 918 I CA -0.399 60.901 61.300 0.001 0.000 1.306 918 I CB 1.519 39.521 38.000 0.002 0.000 1.407 918 I HN 0.323 nan 8.210 nan 0.000 0.501 934 K N 1.928 122.321 120.400 -0.012 0.000 2.814 934 K HA 0.427 4.750 4.320 0.004 0.000 0.205 934 K C -1.399 175.193 176.600 -0.013 0.000 1.093 934 K CA -0.194 56.085 56.287 -0.013 0.000 1.035 934 K CB 1.559 34.048 32.500 -0.018 0.000 1.220 934 K HN 0.269 nan 8.250 nan 0.000 0.576 935 R N 1.185 121.681 120.500 -0.006 0.000 2.312 935 R HA 0.175 4.517 4.340 0.004 0.000 0.311 935 R C -0.234 176.071 176.300 0.009 0.000 1.004 935 R CA -0.845 55.254 56.100 -0.002 0.000 0.902 935 R CB 1.108 31.409 30.300 0.001 0.000 1.073 935 R HN 0.382 nan 8.270 nan 0.000 0.457 936 D N 1.736 122.146 120.400 0.017 0.000 2.382 936 D HA 0.220 4.862 4.640 0.004 0.000 0.245 936 D C -0.973 175.359 176.300 0.052 0.000 1.120 936 D CA 0.181 54.209 54.000 0.046 0.000 0.890 936 D CB 1.206 42.050 40.800 0.073 0.000 1.201 936 D HN 0.626 nan 8.370 nan 0.000 0.433 937 A N 2.405 125.265 122.820 0.066 0.000 2.768 937 A HA 0.451 4.773 4.320 0.004 0.000 0.298 937 A C -1.047 176.587 177.584 0.082 0.000 1.159 937 A CA -0.645 51.427 52.037 0.058 0.000 0.783 937 A CB 0.314 19.335 19.000 0.036 0.000 1.333 937 A HN 0.434 nan 8.150 nan 0.000 0.412 938 S N 0.190 115.940 115.700 0.084 0.000 2.572 938 S HA 0.656 5.128 4.470 0.004 0.000 0.274 938 S C -0.381 174.225 174.600 0.011 0.000 1.150 938 S CA -0.595 57.651 58.200 0.077 0.000 0.944 938 S CB 1.283 64.556 63.200 0.120 0.000 1.071 938 S HN 0.492 nan 8.310 nan 0.000 0.479 939 T N 5.671 120.218 114.554 -0.012 0.000 2.799 939 T HA 0.426 4.778 4.350 0.004 0.000 0.296 939 T C -2.325 172.270 174.700 -0.175 0.000 0.947 939 T CA -0.503 61.559 62.100 -0.065 0.000 1.141 939 T CB 0.343 69.184 68.868 -0.044 0.000 0.891 939 T HN 0.535 nan 8.240 nan 0.000 0.533 940 P HA 0.376 nan 4.420 nan 0.000 0.293 940 P C -0.391 176.746 177.300 -0.273 0.000 1.291 940 P CA -0.974 61.997 63.100 -0.216 0.000 0.867 940 P CB 1.185 32.805 31.700 -0.133 0.000 1.074 941 L N 3.431 124.461 121.223 -0.320 0.000 2.514 941 L HA 0.067 4.410 4.340 0.004 0.000 0.280 941 L C 0.957 177.798 176.870 -0.049 0.000 1.223 941 L CA 0.224 54.876 54.840 -0.314 0.000 0.864 941 L CB 0.004 41.956 42.059 -0.178 0.000 1.118 941 L HN 0.308 nan 8.230 nan 0.000 0.494 942 R N 3.073 123.661 120.500 0.147 0.000 2.537 942 R HA -0.055 4.287 4.340 0.004 0.000 0.281 942 R C 1.613 177.962 176.300 0.081 0.000 0.988 942 R CA 0.599 56.788 56.100 0.149 0.000 1.077 942 R CB 0.145 30.572 30.300 0.211 0.000 0.932 942 R HN 0.994 nan 8.270 nan 0.000 0.409 943 S N 1.669 117.399 115.700 0.051 0.000 2.389 943 S HA -0.244 4.229 4.470 0.004 0.000 0.231 943 S C 1.565 176.186 174.600 0.035 0.000 1.052 943 S CA 2.188 60.408 58.200 0.032 0.000 1.053 943 S CB -0.475 62.741 63.200 0.027 0.000 0.886 943 S HN 0.798 nan 8.310 nan 0.000 0.456 944 T N -0.392 114.188 114.554 0.043 0.000 3.086 944 T HA 0.321 4.674 4.350 0.004 0.000 0.250 944 T C 0.376 175.099 174.700 0.037 0.000 1.074 944 T CA -0.207 61.914 62.100 0.034 0.000 0.988 944 T CB -0.057 68.828 68.868 0.027 0.000 0.988 944 T HN 0.540 nan 8.240 nan 0.000 0.530 945 E N 2.553 122.793 120.200 0.068 0.000 2.267 945 E HA 0.546 4.899 4.350 0.004 0.000 0.258 945 E C -0.352 176.299 176.600 0.085 0.000 1.074 945 E CA -1.008 55.449 56.400 0.094 0.000 0.915 945 E CB 0.692 30.502 29.700 0.182 0.000 1.186 945 E HN 0.420 nan 8.360 nan 0.000 0.439 946 N N -0.372 118.386 118.700 0.097 0.000 3.520 946 N HA 0.276 5.018 4.740 0.004 0.000 0.221 946 N C -0.900 174.657 175.510 0.078 0.000 1.083 946 N CA -0.237 52.856 53.050 0.070 0.000 1.059 946 N CB 1.112 39.623 38.487 0.039 0.000 1.671 946 N HN 0.630 nan 8.380 nan 0.000 0.594 947 G N 0.770 109.610 108.800 0.068 0.000 2.795 947 G HA2 0.530 4.493 3.960 0.004 0.000 0.127 947 G HA3 0.530 4.493 3.960 0.004 0.000 0.127 947 G C -1.662 173.263 174.900 0.043 0.000 1.203 947 G CA -0.515 44.620 45.100 0.059 0.000 1.145 947 G HN 0.543 nan 8.290 nan 0.000 0.580 948 I N 0.976 121.571 120.570 0.042 0.000 2.571 948 I HA 0.329 4.502 4.170 0.004 0.000 0.289 948 I C -0.113 176.031 176.117 0.045 0.000 1.115 948 I CA -0.909 60.413 61.300 0.036 0.000 1.045 948 I CB 2.441 40.460 38.000 0.033 0.000 1.238 948 I HN 0.209 nan 8.210 nan 0.000 0.424 949 V N 5.245 125.181 119.914 0.037 0.000 2.625 949 V HA -0.145 3.977 4.120 0.004 0.000 0.305 949 V C 0.714 176.841 176.094 0.055 0.000 1.055 949 V CA 0.980 63.306 62.300 0.042 0.000 1.209 949 V CB 0.658 32.490 31.823 0.015 0.000 0.877 949 V HN 0.855 nan 8.190 nan 0.000 0.489 950 D N 2.841 123.290 120.400 0.082 0.000 2.468 950 D HA 0.122 4.764 4.640 0.004 0.000 0.243 950 D C 0.754 177.088 176.300 0.057 0.000 0.994 950 D CA 0.796 54.858 54.000 0.104 0.000 0.932 950 D CB 0.519 41.446 40.800 0.212 0.000 1.078 950 D HN 0.705 nan 8.370 nan 0.000 0.473 951 Q N -0.747 119.078 119.800 0.041 0.000 2.462 951 Q HA 0.599 4.942 4.340 0.004 0.000 0.285 951 Q C -1.922 174.076 176.000 -0.003 0.000 1.035 951 Q CA -0.924 54.883 55.803 0.007 0.000 0.799 951 Q CB 3.261 31.992 28.738 -0.013 0.000 1.452 951 Q HN -0.080 nan 8.270 nan 0.000 0.404 952 V N 2.091 121.994 119.914 -0.020 0.000 2.760 952 V HA 0.608 4.731 4.120 0.004 0.000 0.309 952 V C -1.152 174.919 176.094 -0.038 0.000 1.077 952 V CA -0.806 61.471 62.300 -0.038 0.000 0.910 952 V CB 1.791 33.581 31.823 -0.055 0.000 1.008 952 V HN 0.716 nan 8.190 nan 0.000 0.424 953 L N 4.856 126.054 121.223 -0.042 0.000 2.381 953 L HA 0.941 5.284 4.340 0.004 0.000 0.268 953 L C -1.392 175.467 176.870 -0.018 0.000 0.997 953 L CA -0.547 54.283 54.840 -0.015 0.000 0.818 953 L CB 2.284 44.351 42.059 0.014 0.000 1.310 953 L HN 0.463 nan 8.230 nan 0.000 0.416 954 V N 3.398 123.318 119.914 0.011 0.000 2.376 954 V HA 0.640 4.762 4.120 0.004 0.000 0.287 954 V C -0.055 176.097 176.094 0.095 0.000 1.015 954 V CA -0.140 62.180 62.300 0.034 0.000 0.834 954 V CB 0.939 32.766 31.823 0.008 0.000 1.001 954 V HN 0.982 nan 8.190 nan 0.000 0.428 955 T N 2.224 116.884 114.554 0.176 0.000 2.669 955 T HA 0.604 4.957 4.350 0.004 0.000 0.283 955 T C -0.479 174.340 174.700 0.198 0.000 1.019 955 T CA -0.541 61.663 62.100 0.172 0.000 1.039 955 T CB 2.237 71.208 68.868 0.172 0.000 1.374 955 T HN 0.554 nan 8.240 nan 0.000 0.523 956 T N 2.398 117.022 114.554 0.118 0.000 2.881 956 T HA 0.494 4.846 4.350 0.004 0.000 0.290 956 T C -0.779 173.918 174.700 -0.005 0.000 1.000 956 T CA -0.678 61.472 62.100 0.084 0.000 0.978 956 T CB 1.061 69.966 68.868 0.063 0.000 0.997 956 T HN 0.528 nan 8.240 nan 0.000 0.443 957 N N 2.790 121.463 118.700 -0.045 0.000 2.439 957 N HA 0.204 4.946 4.740 0.004 0.000 0.249 957 N C 1.217 176.699 175.510 -0.046 0.000 1.003 957 N CA -0.045 52.928 53.050 -0.128 0.000 0.942 957 N CB 0.511 38.860 38.487 -0.231 0.000 1.115 957 N HN 0.688 nan 8.380 nan 0.000 0.505 958 Q N 1.584 121.367 119.800 -0.028 0.000 2.601 958 Q HA -0.354 3.989 4.340 0.004 0.000 0.280 958 Q C -0.275 175.730 176.000 0.009 0.000 2.159 958 Q CA 2.554 58.356 55.803 -0.001 0.000 0.923 958 Q CB -0.782 27.956 28.738 -0.000 0.000 0.852 958 Q HN 0.755 nan 8.270 nan 0.000 0.674 959 D N 0.712 121.115 120.400 0.006 0.000 2.789 959 D HA 0.071 4.713 4.640 0.004 0.000 0.249 959 D C 0.702 177.019 176.300 0.029 0.000 1.290 959 D CA 1.162 55.174 54.000 0.019 0.000 0.989 959 D CB -1.029 39.774 40.800 0.006 0.000 1.145 959 D HN 0.640 nan 8.370 nan 0.000 0.449 960 G N 0.950 109.767 108.800 0.030 0.000 2.449 960 G HA2 -0.314 3.648 3.960 0.004 0.000 0.304 960 G HA3 -0.314 3.648 3.960 0.004 0.000 0.304 960 G C 0.403 175.335 174.900 0.052 0.000 0.962 960 G CA 0.127 45.251 45.100 0.039 0.000 0.943 960 G HN 0.421 nan 8.290 nan 0.000 0.514 961 L N -0.722 120.536 121.223 0.058 0.000 2.350 961 L HA 0.357 4.699 4.340 0.004 0.000 0.275 961 L C 0.974 177.940 176.870 0.159 0.000 1.099 961 L CA -0.526 54.370 54.840 0.092 0.000 0.808 961 L CB 0.989 43.104 42.059 0.093 0.000 1.149 961 L HN 0.017 nan 8.230 nan 0.000 0.442 962 K N 2.801 123.316 120.400 0.192 0.000 2.285 962 K HA 0.305 4.628 4.320 0.004 0.000 0.286 962 K C -1.068 175.810 176.600 0.464 0.000 1.072 962 K CA -0.257 56.210 56.287 0.301 0.000 0.913 962 K CB 0.808 33.502 32.500 0.324 0.000 1.067 962 K HN 0.217 nan 8.250 nan 0.000 0.479 963 F N 3.060 123.130 119.950 0.200 0.000 2.469 963 F HA 0.368 4.899 4.527 0.005 0.000 0.332 963 F C -0.631 175.230 175.800 0.102 0.000 1.103 963 F CA -0.835 57.266 58.000 0.167 0.000 0.979 963 F CB 1.314 40.374 39.000 0.100 0.000 1.137 963 F HN 0.084 nan 8.300 nan 0.000 0.463 964 V N 5.355 125.059 119.914 -0.349 0.000 2.623 964 V HA 0.425 4.548 4.120 0.004 0.000 0.304 964 V C -0.961 174.902 176.094 -0.386 0.000 1.054 964 V CA -1.126 60.975 62.300 -0.332 0.000 0.882 964 V CB 2.099 33.627 31.823 -0.492 0.000 1.002 964 V HN 0.600 nan 8.190 nan 0.000 0.424 965 K N 3.291 123.557 120.400 -0.223 0.000 2.450 965 K HA 0.681 5.004 4.320 0.004 0.000 0.257 965 K C -1.326 175.233 176.600 -0.070 0.000 0.953 965 K CA -0.604 55.597 56.287 -0.144 0.000 0.844 965 K CB 2.389 34.846 32.500 -0.072 0.000 1.103 965 K HN 0.468 nan 8.250 nan 0.000 0.429 966 V N 3.986 123.888 119.914 -0.020 0.000 2.328 966 V HA 0.319 4.442 4.120 0.004 0.000 0.278 966 V C 0.051 176.209 176.094 0.107 0.000 1.021 966 V CA -0.776 61.540 62.300 0.028 0.000 0.838 966 V CB 0.981 32.817 31.823 0.021 0.000 0.999 966 V HN 0.621 nan 8.190 nan 0.000 0.447 967 R N 3.899 124.438 120.500 0.064 0.000 2.297 967 R HA 0.676 5.019 4.340 0.004 0.000 0.308 967 R C -1.180 175.193 176.300 0.121 0.000 1.029 967 R CA -0.327 55.818 56.100 0.076 0.000 0.929 967 R CB 1.440 31.769 30.300 0.048 0.000 1.046 967 R HN 0.544 nan 8.270 nan 0.000 0.461 968 V N 4.851 124.845 119.914 0.133 0.000 2.513 968 V HA 0.499 4.622 4.120 0.004 0.000 0.299 968 V C -0.037 176.093 176.094 0.060 0.000 1.035 968 V CA -0.861 61.515 62.300 0.126 0.000 0.889 968 V CB 1.554 33.500 31.823 0.204 0.000 0.988 968 V HN 0.724 nan 8.190 nan 0.000 0.440 969 R N 2.139 122.660 120.500 0.035 0.000 2.514 969 R HA 0.751 5.094 4.340 0.004 0.000 0.301 969 R C -1.174 175.078 176.300 -0.079 0.000 0.962 969 R CA -0.177 55.852 56.100 -0.119 0.000 0.882 969 R CB 2.034 32.274 30.300 -0.100 0.000 1.143 969 R HN 0.855 nan 8.270 nan 0.000 0.452 970 T N 1.631 116.120 114.554 -0.109 0.000 2.909 970 T HA 0.311 4.663 4.350 0.004 0.000 0.299 970 T C -0.997 173.706 174.700 0.004 0.000 1.073 970 T CA -0.488 61.625 62.100 0.021 0.000 0.999 970 T CB 1.986 70.947 68.868 0.154 0.000 1.098 970 T HN 0.430 nan 8.240 nan 0.000 0.477 971 T N 3.235 117.818 114.554 0.049 0.000 2.772 971 T HA 0.386 4.739 4.350 0.004 0.000 0.288 971 T C -0.290 174.442 174.700 0.053 0.000 0.994 971 T CA -0.679 61.483 62.100 0.102 0.000 0.951 971 T CB 0.480 69.443 68.868 0.159 0.000 0.933 971 T HN 0.313 nan 8.240 nan 0.000 0.447 972 K N 3.659 124.086 120.400 0.046 0.000 2.234 972 K HA 0.493 4.816 4.320 0.004 0.000 0.277 972 K C -0.416 176.180 176.600 -0.007 0.000 1.038 972 K CA -0.468 55.818 56.287 -0.001 0.000 0.888 972 K CB 1.358 33.836 32.500 -0.038 0.000 1.091 972 K HN 0.526 nan 8.250 nan 0.000 0.467 973 I N 5.468 126.030 120.570 -0.014 0.000 2.353 973 I HA 0.194 4.366 4.170 0.004 0.000 0.293 973 I C -1.788 174.351 176.117 0.037 0.000 0.992 973 I CA -2.578 58.719 61.300 -0.004 0.000 1.268 973 I CB 1.274 39.263 38.000 -0.018 0.000 1.387 973 I HN 0.396 nan 8.210 nan 0.000 0.478 974 P HA -0.093 nan 4.420 nan 0.000 0.256 974 P C -0.943 176.420 177.300 0.104 0.000 1.173 974 P CA 0.502 63.709 63.100 0.178 0.000 0.768 974 P CB 0.858 32.741 31.700 0.305 0.000 0.758 975 Q N 2.644 122.490 119.800 0.078 0.000 2.852 975 Q HA 0.342 4.685 4.340 0.004 0.000 0.262 975 Q C 1.472 177.503 176.000 0.050 0.000 1.051 975 Q CA -1.007 54.821 55.803 0.041 0.000 0.894 975 Q CB 1.412 30.156 28.738 0.010 0.000 1.381 975 Q HN 0.225 nan 8.270 nan 0.000 0.501 976 I N -0.025 120.561 120.570 0.025 0.000 2.142 976 I HA -0.176 3.997 4.170 0.004 0.000 0.240 976 I C 1.604 177.741 176.117 0.032 0.000 1.078 976 I CA 1.792 63.108 61.300 0.026 0.000 1.343 976 I CB -0.349 37.660 38.000 0.015 0.000 1.046 976 I HN 0.845 nan 8.210 nan 0.000 0.405 977 G N -0.152 108.655 108.800 0.011 0.000 3.088 977 G HA2 -0.055 3.908 3.960 0.004 0.000 0.212 977 G HA3 -0.055 3.908 3.960 0.004 0.000 0.212 977 G C 0.021 174.905 174.900 -0.027 0.000 1.173 977 G CA -0.182 44.916 45.100 -0.003 0.000 0.779 977 G HN 0.232 nan 8.290 nan 0.000 0.540 978 D N 0.947 121.329 120.400 -0.030 0.000 2.417 978 D HA 0.156 4.798 4.640 0.004 0.000 0.250 978 D C 0.449 176.600 176.300 -0.248 0.000 1.166 978 D CA 0.365 54.273 54.000 -0.154 0.000 0.881 978 D CB 1.284 41.982 40.800 -0.170 0.000 1.164 978 D HN 0.135 nan 8.370 nan 0.000 0.467 979 K N 2.005 122.198 120.400 -0.345 0.000 2.270 979 K HA 0.391 4.713 4.320 0.004 0.000 0.276 979 K C -0.966 175.254 176.600 -0.633 0.000 1.023 979 K CA -0.178 55.931 56.287 -0.297 0.000 0.955 979 K CB 0.469 32.860 32.500 -0.182 0.000 0.975 979 K HN 0.229 nan 8.250 nan 0.000 0.471 980 F N 0.722 120.615 119.950 -0.096 0.000 2.626 980 F HA 0.640 5.170 4.527 0.004 0.000 0.311 980 F C -0.451 175.321 175.800 -0.046 0.000 1.088 980 F CA -0.789 57.138 58.000 -0.122 0.000 0.949 980 F CB 2.348 41.272 39.000 -0.127 0.000 1.322 980 F HN 0.571 nan 8.300 nan 0.000 0.461 981 A N 0.513 123.382 122.820 0.080 0.000 2.594 981 A HA 0.707 5.030 4.320 0.004 0.000 0.295 981 A C -0.483 176.785 177.584 -0.526 0.000 1.071 981 A CA -0.277 51.695 52.037 -0.109 0.000 0.685 981 A CB 1.189 20.145 19.000 -0.073 0.000 1.285 981 A HN 0.898 nan 8.150 nan 0.000 0.405 982 S N 0.870 116.151 115.700 -0.698 0.000 2.423 982 S HA 0.340 4.813 4.470 0.004 0.000 0.244 982 S C 0.682 175.063 174.600 -0.366 0.000 1.267 982 S CA 0.193 57.871 58.200 -0.870 0.000 0.988 982 S CB 0.120 63.109 63.200 -0.352 0.000 0.978 982 S HN 0.668 nan 8.310 nan 0.000 0.506 983 R N -0.234 120.070 120.500 -0.326 0.000 2.432 983 R HA 0.270 4.612 4.340 0.004 0.000 0.260 983 R C -0.026 175.901 176.300 -0.621 0.000 0.935 983 R CA -0.026 55.821 56.100 -0.423 0.000 1.080 983 R CB 0.125 30.147 30.300 -0.464 0.000 1.155 983 R HN 0.604 nan 8.270 nan 0.000 0.531 984 H N -0.520 118.547 119.070 -0.005 0.000 2.505 984 H HA 0.216 4.775 4.556 0.004 0.000 0.260 984 H C 0.726 176.106 175.328 0.087 0.000 1.232 984 H CA 0.097 56.181 56.048 0.060 0.000 0.991 984 H CB 0.886 30.726 29.762 0.130 0.000 1.729 984 H HN 0.364 nan 8.280 nan 0.000 0.561 985 G N 1.918 110.787 108.800 0.114 0.000 2.258 985 G HA2 -0.308 3.655 3.960 0.004 0.000 0.274 985 G HA3 -0.308 3.655 3.960 0.004 0.000 0.274 985 G C 0.277 175.275 174.900 0.163 0.000 1.021 985 G CA 0.295 45.506 45.100 0.185 0.000 0.798 985 G HN 0.394 nan 8.290 nan 0.000 0.507 986 Q N 0.465 120.336 119.800 0.118 0.000 2.454 986 Q HA 0.432 4.775 4.340 0.004 0.000 0.255 986 Q C 0.364 176.401 176.000 0.062 0.000 1.034 986 Q CA -0.763 55.101 55.803 0.102 0.000 0.736 986 Q CB 0.575 29.399 28.738 0.144 0.000 1.210 986 Q HN 0.578 nan 8.270 nan 0.000 0.500 987 K N 0.956 121.376 120.400 0.034 0.000 2.087 987 K HA 0.907 5.229 4.320 0.004 0.000 0.255 987 K C -0.203 176.431 176.600 0.056 0.000 0.988 987 K CA -0.832 55.471 56.287 0.026 0.000 0.915 987 K CB 1.528 34.013 32.500 -0.024 0.000 1.043 987 K HN 0.507 nan 8.250 nan 0.000 0.457 988 G N 0.297 109.147 108.800 0.082 0.000 2.702 988 G HA2 0.347 4.310 3.960 0.004 0.000 0.296 988 G HA3 0.347 4.310 3.960 0.004 0.000 0.296 988 G C -1.103 173.860 174.900 0.106 0.000 1.463 988 G CA -0.629 44.525 45.100 0.090 0.000 0.890 988 G HN 0.790 nan 8.290 nan 0.000 0.534 989 T N -0.834 113.763 114.554 0.071 0.000 2.927 989 T HA 0.725 5.078 4.350 0.004 0.000 0.281 989 T C 0.650 175.416 174.700 0.109 0.000 0.998 989 T CA -0.696 61.449 62.100 0.075 0.000 1.019 989 T CB 1.109 69.989 68.868 0.020 0.000 1.061 989 T HN 0.470 nan 8.240 nan 0.000 0.518 990 I N 1.313 121.966 120.570 0.139 0.000 2.779 990 I HA 0.375 4.548 4.170 0.004 0.000 0.285 990 I C 1.500 177.651 176.117 0.057 0.000 1.134 990 I CA 0.060 61.421 61.300 0.101 0.000 1.398 990 I CB 0.865 38.940 38.000 0.124 0.000 1.404 990 I HN 1.019 nan 8.210 nan 0.000 0.587 991 G N 5.672 114.494 108.800 0.037 0.000 3.146 991 G HA2 0.406 4.368 3.960 0.004 0.000 0.238 991 G HA3 0.406 4.368 3.960 0.004 0.000 0.238 991 G C 0.006 174.937 174.900 0.052 0.000 1.022 991 G CA 0.155 45.294 45.100 0.065 0.000 0.880 991 G HN 0.536 nan 8.290 nan 0.000 0.533 992 I N 0.380 120.912 120.570 -0.063 0.000 2.526 992 I HA 0.308 4.480 4.170 0.004 0.000 0.305 992 I C -1.576 174.368 176.117 -0.288 0.000 1.951 992 I CA -0.642 60.535 61.300 -0.206 0.000 0.938 992 I CB 1.605 39.351 38.000 -0.424 0.000 1.543 992 I HN 0.091 nan 8.210 nan 0.000 0.609 993 T N 2.471 116.876 114.554 -0.249 0.000 2.856 993 T HA 0.640 4.992 4.350 0.004 0.000 0.283 993 T C -1.214 173.432 174.700 -0.090 0.000 1.008 993 T CA -0.438 61.567 62.100 -0.159 0.000 0.997 993 T CB 1.334 70.175 68.868 -0.044 0.000 0.992 993 T HN 0.482 nan 8.240 nan 0.000 0.454 994 Y N 0.600 120.910 120.300 0.016 0.000 2.429 994 Y HA 0.539 5.091 4.550 0.004 0.000 0.342 994 Y C 1.092 177.014 175.900 0.036 0.000 1.004 994 Y CA -1.631 56.493 58.100 0.040 0.000 1.075 994 Y CB 2.217 40.736 38.460 0.099 0.000 1.214 994 Y HN 0.465 nan 8.280 nan 0.000 0.455 995 R N 1.113 121.736 120.500 0.205 0.000 2.560 995 R HA 0.188 4.531 4.340 0.004 0.000 0.270 995 R C 1.313 177.676 176.300 0.104 0.000 1.074 995 R CA -0.410 55.756 56.100 0.109 0.000 1.140 995 R CB 0.753 31.094 30.300 0.068 0.000 1.073 995 R HN 0.749 nan 8.270 nan 0.000 0.527 996 R N 1.492 122.032 120.500 0.067 0.000 2.189 996 R HA -0.321 4.022 4.340 0.004 0.000 0.252 996 R C 1.294 177.641 176.300 0.078 0.000 1.134 996 R CA 2.661 58.797 56.100 0.060 0.000 0.954 996 R CB -0.081 30.232 30.300 0.021 0.000 0.890 996 R HN 0.668 nan 8.270 nan 0.000 0.443 997 E N 0.621 120.857 120.200 0.060 0.000 2.012 997 E HA -0.203 4.150 4.350 0.004 0.000 0.197 997 E C 1.683 178.373 176.600 0.151 0.000 1.007 997 E CA 1.839 58.285 56.400 0.077 0.000 0.816 997 E CB -0.452 29.273 29.700 0.041 0.000 0.762 997 E HN 0.489 nan 8.360 nan 0.000 0.451 998 D N 0.217 120.690 120.400 0.122 0.000 2.315 998 D HA -0.147 4.495 4.640 0.004 0.000 0.211 998 D C 0.604 177.033 176.300 0.216 0.000 0.977 998 D CA 0.647 54.742 54.000 0.159 0.000 0.894 998 D CB -0.183 40.572 40.800 -0.076 0.000 0.910 998 D HN 0.174 nan 8.370 nan 0.000 0.490 999 M N 1.591 121.311 119.600 0.199 0.000 2.240 999 M HA 0.155 4.638 4.480 0.004 0.000 0.333 999 M C -2.280 174.074 176.300 0.091 0.000 1.110 999 M CA -1.695 53.690 55.300 0.141 0.000 1.173 999 M CB 1.012 33.683 32.600 0.118 0.000 1.458 999 M HN -0.247 nan 8.290 nan 0.000 0.458 1000 P HA 0.219 nan 4.420 nan 0.000 0.274 1000 P C -1.497 175.809 177.300 0.011 0.000 1.231 1000 P CA -0.079 62.898 63.100 -0.205 0.000 0.790 1000 P CB 0.260 31.654 31.700 -0.509 0.000 0.951 1001 F N -1.927 118.029 119.950 0.010 0.000 2.603 1001 F HA 0.677 5.207 4.527 0.004 0.000 0.317 1001 F C -0.168 175.627 175.800 -0.010 0.000 1.066 1001 F CA -1.323 56.667 58.000 -0.017 0.000 0.941 1001 F CB 0.810 39.808 39.000 -0.004 0.000 1.291 1001 F HN 0.144 nan 8.300 nan 0.000 0.472 1002 T N 0.767 115.414 114.554 0.154 0.000 2.909 1002 T HA 0.500 4.853 4.350 0.004 0.000 0.289 1002 T C 1.175 176.035 174.700 0.267 0.000 1.005 1002 T CA 0.175 62.294 62.100 0.032 0.000 1.084 1002 T CB 1.277 69.998 68.868 -0.245 0.000 0.975 1002 T HN 0.951 nan 8.240 nan 0.000 0.509 1003 A N 3.131 126.127 122.820 0.293 0.000 1.986 1003 A HA -0.095 4.228 4.320 0.004 0.000 0.220 1003 A C 2.000 179.637 177.584 0.087 0.000 1.171 1003 A CA 1.683 53.866 52.037 0.244 0.000 0.640 1003 A CB -0.532 18.628 19.000 0.267 0.000 0.811 1003 A HN 0.954 nan 8.150 nan 0.000 0.451 1004 E N -1.805 118.438 120.200 0.072 0.000 2.338 1004 E HA 0.088 4.441 4.350 0.004 0.000 0.197 1004 E C 1.310 177.909 176.600 -0.001 0.000 1.007 1004 E CA 0.508 56.928 56.400 0.033 0.000 0.849 1004 E CB -0.196 29.540 29.700 0.060 0.000 0.774 1004 E HN 0.839 nan 8.360 nan 0.000 0.506 1005 G N 1.293 110.094 108.800 0.001 0.000 2.176 1005 G HA2 -0.249 3.714 3.960 0.004 0.000 0.232 1005 G HA3 -0.249 3.714 3.960 0.004 0.000 0.232 1005 G C 0.296 175.183 174.900 -0.023 0.000 0.986 1005 G CA -0.101 44.965 45.100 -0.057 0.000 0.643 1005 G HN 0.166 nan 8.290 nan 0.000 0.522 1006 I N 0.458 121.024 120.570 -0.006 0.000 2.638 1006 I HA 0.534 4.707 4.170 0.004 0.000 0.286 1006 I C 0.545 176.682 176.117 0.034 0.000 1.088 1006 I CA -0.503 60.803 61.300 0.010 0.000 1.397 1006 I CB 1.513 39.511 38.000 -0.004 0.000 1.414 1006 I HN -0.029 nan 8.210 nan 0.000 0.566 1007 V N 6.769 126.765 119.914 0.136 0.000 3.007 1007 V HA 0.544 4.667 4.120 0.004 0.000 0.311 1007 V C -2.293 173.986 176.094 0.309 0.000 1.120 1007 V CA -1.787 60.633 62.300 0.200 0.000 0.980 1007 V CB 2.934 34.833 31.823 0.127 0.000 1.033 1007 V HN 0.611 nan 8.190 nan 0.000 0.429 1008 P HA 0.322 nan 4.420 nan 0.000 0.278 1008 P C -0.630 176.653 177.300 -0.028 0.000 1.238 1008 P CA -0.066 63.076 63.100 0.070 0.000 0.794 1008 P CB 1.236 32.917 31.700 -0.032 0.000 0.955 1009 D N 0.516 120.847 120.400 -0.115 0.000 2.305 1009 D HA 0.105 4.748 4.640 0.004 0.000 0.206 1009 D C 0.359 176.568 176.300 -0.152 0.000 0.974 1009 D CA 1.025 54.953 54.000 -0.120 0.000 0.871 1009 D CB 0.281 40.986 40.800 -0.159 0.000 0.947 1009 D HN 0.179 nan 8.370 nan 0.000 0.516 1010 L N 0.255 121.354 121.223 -0.207 0.000 2.466 1010 L HA 0.437 4.780 4.340 0.004 0.000 0.258 1010 L C -1.819 174.921 176.870 -0.217 0.000 0.973 1010 L CA -0.592 54.105 54.840 -0.239 0.000 0.826 1010 L CB 2.500 44.331 42.059 -0.380 0.000 1.372 1010 L HN -0.248 nan 8.230 nan 0.000 0.409 1011 I N 5.293 125.774 120.570 -0.148 0.000 2.499 1011 I HA 0.519 4.691 4.170 0.004 0.000 0.288 1011 I C -0.508 175.577 176.117 -0.053 0.000 1.048 1011 I CA -0.639 60.604 61.300 -0.095 0.000 1.062 1011 I CB 1.825 39.805 38.000 -0.034 0.000 1.238 1011 I HN 0.565 nan 8.210 nan 0.000 0.426 1012 I N 2.524 123.071 120.570 -0.038 0.000 2.648 1012 I HA 0.553 4.726 4.170 0.004 0.000 0.304 1012 I C -0.501 175.622 176.117 0.010 0.000 1.009 1012 I CA -0.631 60.672 61.300 0.006 0.000 1.114 1012 I CB 1.910 39.932 38.000 0.037 0.000 1.293 1012 I HN 0.498 nan 8.210 nan 0.000 0.449 1013 N N 6.574 125.289 118.700 0.026 0.000 2.470 1013 N HA 0.222 4.965 4.740 0.004 0.000 0.268 1013 N C -1.618 173.871 175.510 -0.035 0.000 1.136 1013 N CA -1.889 51.173 53.050 0.019 0.000 0.961 1013 N CB 1.325 39.855 38.487 0.072 0.000 1.067 1013 N HN 0.513 nan 8.380 nan 0.000 0.468 1014 P HA -0.182 nan 4.420 nan 0.000 0.217 1014 P C 0.719 177.933 177.300 -0.144 0.000 1.148 1014 P CA 1.415 64.413 63.100 -0.169 0.000 0.834 1014 P CB 0.026 31.588 31.700 -0.230 0.000 0.783 1015 H N 0.204 119.262 119.070 -0.019 0.000 2.541 1015 H HA 0.069 4.628 4.556 0.004 0.000 0.289 1015 H C 1.267 176.580 175.328 -0.026 0.000 1.054 1015 H CA 1.105 57.141 56.048 -0.019 0.000 1.250 1015 H CB -0.499 29.258 29.762 -0.009 0.000 1.369 1015 H HN 0.174 nan 8.280 nan 0.000 0.578 1016 A N 0.358 123.219 122.820 0.068 0.000 2.988 1016 A HA 0.322 4.645 4.320 0.004 0.000 0.288 1016 A C 1.302 178.873 177.584 -0.022 0.000 1.385 1016 A CA -0.138 51.917 52.037 0.030 0.000 1.001 1016 A CB -0.451 18.565 19.000 0.027 0.000 1.071 1016 A HN 0.268 nan 8.150 nan 0.000 0.608 1017 I N -1.971 118.582 120.570 -0.028 0.000 4.079 1017 I HA 0.075 4.248 4.170 0.004 0.000 0.276 1017 I C -1.134 174.956 176.117 -0.045 0.000 1.146 1017 I CA -0.280 60.976 61.300 -0.074 0.000 1.324 1017 I CB -0.812 37.100 38.000 -0.146 0.000 1.638 1017 I HN 0.067 nan 8.210 nan 0.000 0.436 1018 P HA -0.207 nan 4.420 nan 0.000 0.217 1018 P C 1.773 179.072 177.300 -0.002 0.000 1.158 1018 P CA 2.486 65.579 63.100 -0.010 0.000 0.887 1018 P CB -0.013 31.696 31.700 0.015 0.000 0.792 1019 S N -0.827 114.879 115.700 0.009 0.000 2.377 1019 S HA -0.072 4.400 4.470 0.004 0.000 0.223 1019 S C 1.760 176.370 174.600 0.018 0.000 1.030 1019 S CA 0.519 58.728 58.200 0.014 0.000 0.970 1019 S CB -0.856 62.355 63.200 0.018 0.000 0.830 1019 S HN 0.076 nan 8.310 nan 0.000 0.473 1020 R N 1.644 122.157 120.500 0.020 0.000 2.339 1020 R HA 0.200 4.543 4.340 0.004 0.000 0.199 1020 R C 0.574 176.887 176.300 0.022 0.000 1.018 1020 R CA 0.441 56.562 56.100 0.035 0.000 1.036 1020 R CB -0.932 29.397 30.300 0.049 0.000 0.899 1020 R HN 0.475 nan 8.270 nan 0.000 0.473 1021 M N 0.535 120.137 119.600 0.004 0.000 2.237 1021 M HA -0.175 4.308 4.480 0.004 0.000 0.198 1021 M C 0.196 176.498 176.300 0.004 0.000 0.321 1021 M CA 1.165 56.464 55.300 -0.002 0.000 0.398 1021 M CB -2.474 30.130 32.600 0.006 0.000 1.251 1021 M HN 0.001 nan 8.290 nan 0.000 0.921 1022 T N 0.378 114.931 114.554 -0.002 0.000 3.629 1022 T HA 0.419 4.772 4.350 0.004 0.000 0.317 1022 T C 1.256 175.926 174.700 -0.050 0.000 1.690 1022 T CA -0.279 61.830 62.100 0.016 0.000 1.276 1022 T CB -0.095 68.817 68.868 0.073 0.000 1.205 1022 T HN 0.282 nan 8.240 nan 0.000 0.824 1023 V N 2.990 122.878 119.914 -0.043 0.000 2.332 1023 V HA -0.164 3.958 4.120 0.004 0.000 0.248 1023 V C 2.941 178.962 176.094 -0.121 0.000 1.055 1023 V CA 2.109 64.361 62.300 -0.079 0.000 1.038 1023 V CB -1.185 30.616 31.823 -0.036 0.000 0.651 1023 V HN 0.845 nan 8.190 nan 0.000 0.450 1024 A N -0.388 122.375 122.820 -0.095 0.000 1.940 1024 A HA -0.387 3.936 4.320 0.004 0.000 0.221 1024 A C 2.206 179.612 177.584 -0.297 0.000 1.190 1024 A CA 2.508 54.482 52.037 -0.106 0.000 0.647 1024 A CB -1.011 18.060 19.000 0.118 0.000 0.821 1024 A HN 0.727 nan 8.150 nan 0.000 0.457 1025 H N 0.392 118.965 119.070 -0.828 0.000 2.252 1025 H HA -0.182 4.376 4.556 0.004 0.000 0.292 1025 H C 1.939 177.166 175.328 -0.170 0.000 1.082 1025 H CA 2.347 58.000 56.048 -0.658 0.000 1.229 1025 H CB -0.664 28.877 29.762 -0.368 0.000 1.353 1025 H HN 0.436 nan 8.280 nan 0.000 0.488 1026 L N 0.228 121.509 121.223 0.097 0.000 1.963 1026 L HA -0.268 4.075 4.340 0.004 0.000 0.220 1026 L C 3.096 180.048 176.870 0.136 0.000 1.076 1026 L CA 1.784 56.634 54.840 0.017 0.000 0.772 1026 L CB -0.729 41.161 42.059 -0.281 0.000 0.892 1026 L HN 0.269 nan 8.230 nan 0.000 0.435 1027 I N -0.109 120.447 120.570 -0.024 0.000 2.074 1027 I HA -0.417 3.755 4.170 0.004 0.000 0.238 1027 I C 2.637 178.818 176.117 0.107 0.000 1.037 1027 I CA 2.150 63.409 61.300 -0.068 0.000 1.301 1027 I CB -0.722 37.033 38.000 -0.409 0.000 1.016 1027 I HN 0.465 nan 8.210 nan 0.000 0.400 1028 E N 0.325 120.648 120.200 0.204 0.000 2.197 1028 E HA -0.342 4.011 4.350 0.004 0.000 0.205 1028 E C 2.331 179.013 176.600 0.138 0.000 1.029 1028 E CA 2.197 58.737 56.400 0.233 0.000 0.828 1028 E CB -0.184 29.629 29.700 0.188 0.000 0.737 1028 E HN 0.616 nan 8.360 nan 0.000 0.464 1029 C N -0.327 119.064 119.300 0.151 0.000 2.462 1029 C HA -0.092 4.370 4.460 0.004 0.000 0.278 1029 C C 2.598 177.584 174.990 -0.007 0.000 1.253 1029 C CA 0.776 59.844 59.018 0.083 0.000 1.713 1029 C CB -1.204 26.662 27.740 0.209 0.000 2.049 1029 C HN 0.623 nan 8.230 nan 0.000 0.477 1030 L N 0.700 121.960 121.223 0.063 0.000 1.978 1030 L HA -0.158 4.185 4.340 0.004 0.000 0.218 1030 L C 2.323 179.193 176.870 -0.001 0.000 1.075 1030 L CA 2.190 57.035 54.840 0.010 0.000 0.767 1030 L CB -1.045 41.057 42.059 0.071 0.000 0.890 1030 L HN 0.395 nan 8.230 nan 0.000 0.434 1031 L N -1.114 120.143 121.223 0.055 0.000 1.955 1031 L HA -0.232 4.111 4.340 0.004 0.000 0.213 1031 L C 2.579 179.454 176.870 0.008 0.000 1.072 1031 L CA 2.250 57.127 54.840 0.063 0.000 0.755 1031 L CB -1.082 41.075 42.059 0.163 0.000 0.888 1031 L HN 0.302 nan 8.230 nan 0.000 0.432 1032 S N -0.766 114.939 115.700 0.009 0.000 2.420 1032 S HA -0.266 4.207 4.470 0.004 0.000 0.237 1032 S C 1.909 176.472 174.600 -0.062 0.000 1.023 1032 S CA 1.644 59.832 58.200 -0.020 0.000 0.991 1032 S CB -0.340 62.860 63.200 0.001 0.000 0.792 1032 S HN 0.424 nan 8.310 nan 0.000 0.488 1033 K N 0.871 121.215 120.400 -0.094 0.000 1.967 1033 K HA -0.041 4.281 4.320 0.004 0.000 0.212 1033 K C 2.026 178.532 176.600 -0.158 0.000 1.044 1033 K CA 1.327 57.524 56.287 -0.150 0.000 0.942 1033 K CB -0.530 31.846 32.500 -0.207 0.000 0.726 1033 K HN 0.095 nan 8.250 nan 0.000 0.440 1034 V N 1.658 121.488 119.914 -0.141 0.000 2.250 1034 V HA -0.373 3.749 4.120 0.004 0.000 0.253 1034 V C 2.436 178.418 176.094 -0.186 0.000 1.065 1034 V CA 2.294 64.488 62.300 -0.178 0.000 1.039 1034 V CB -0.844 30.936 31.823 -0.072 0.000 0.647 1034 V HN 0.613 nan 8.190 nan 0.000 0.446 1035 A N -0.403 122.359 122.820 -0.097 0.000 1.859 1035 A HA -0.254 4.068 4.320 0.004 0.000 0.217 1035 A C 2.446 179.986 177.584 -0.073 0.000 1.198 1035 A CA 2.889 54.886 52.037 -0.067 0.000 0.629 1035 A CB -1.183 17.791 19.000 -0.043 0.000 0.830 1035 A HN 0.728 nan 8.150 nan 0.000 0.446 1036 A N -0.568 122.208 122.820 -0.073 0.000 1.917 1036 A HA -0.112 4.210 4.320 0.004 0.000 0.219 1036 A C 2.227 179.774 177.584 -0.062 0.000 1.182 1036 A CA 1.707 53.711 52.037 -0.055 0.000 0.633 1036 A CB -0.709 18.259 19.000 -0.053 0.000 0.819 1036 A HN 0.510 nan 8.150 nan 0.000 0.448 1037 L N 0.149 121.298 121.223 -0.122 0.000 1.955 1037 L HA -0.197 4.145 4.340 0.004 0.000 0.213 1037 L C 2.678 179.508 176.870 -0.068 0.000 1.072 1037 L CA 1.911 56.669 54.840 -0.137 0.000 0.755 1037 L CB -0.505 41.327 42.059 -0.378 0.000 0.888 1037 L HN 0.582 nan 8.230 nan 0.000 0.432 1038 S N -0.329 115.291 115.700 -0.132 0.000 2.710 1038 S HA 0.157 4.629 4.470 0.004 0.000 0.224 1038 S C 1.320 175.950 174.600 0.050 0.000 0.948 1038 S CA 0.141 58.387 58.200 0.078 0.000 0.949 1038 S CB -0.225 63.070 63.200 0.158 0.000 0.778 1038 S HN 0.567 nan 8.310 nan 0.000 0.498 1039 G N 1.855 110.663 108.800 0.014 0.000 2.390 1039 G HA2 -0.251 3.712 3.960 0.004 0.000 0.299 1039 G HA3 -0.251 3.712 3.960 0.004 0.000 0.299 1039 G C -0.321 174.585 174.900 0.011 0.000 1.002 1039 G CA 0.088 45.196 45.100 0.012 0.000 0.979 1039 G HN 0.585 nan 8.290 nan 0.000 0.513 1040 N N -0.051 118.649 118.700 0.002 0.000 2.321 1040 N HA 0.317 5.059 4.740 0.004 0.000 0.299 1040 N C -0.285 175.214 175.510 -0.018 0.000 1.048 1040 N CA -0.614 52.436 53.050 0.000 0.000 0.836 1040 N CB 1.576 40.072 38.487 0.015 0.000 1.269 1040 N HN 0.472 nan 8.380 nan 0.000 0.486 1041 E N 0.509 120.693 120.200 -0.027 0.000 2.366 1041 E HA 0.189 4.541 4.350 0.004 0.000 0.266 1041 E C 0.150 176.718 176.600 -0.053 0.000 1.015 1041 E CA -0.407 55.965 56.400 -0.048 0.000 0.906 1041 E CB 0.476 30.138 29.700 -0.063 0.000 0.979 1041 E HN 0.600 nan 8.360 nan 0.000 0.443 1042 G N 3.781 112.544 108.800 -0.061 0.000 2.364 1042 G HA2 0.011 3.974 3.960 0.004 0.000 0.267 1042 G HA3 0.011 3.974 3.960 0.004 0.000 0.267 1042 G C -0.443 174.393 174.900 -0.107 0.000 1.233 1042 G CA -0.437 44.630 45.100 -0.055 0.000 0.885 1042 G HN 0.570 nan 8.290 nan 0.000 0.490 1043 D N 1.866 122.213 120.400 -0.088 0.000 2.494 1043 D HA 0.391 5.034 4.640 0.004 0.000 0.217 1043 D C 0.833 176.998 176.300 -0.226 0.000 1.153 1043 D CA -0.483 53.427 54.000 -0.150 0.000 0.954 1043 D CB 0.539 41.281 40.800 -0.096 0.000 1.034 1043 D HN 0.344 nan 8.370 nan 0.000 0.518 1044 A N 2.889 125.407 122.820 -0.503 0.000 3.163 1044 A HA 0.291 4.614 4.320 0.004 0.000 0.283 1044 A C 0.598 177.672 177.584 -0.850 0.000 1.412 1044 A CA -0.520 50.755 52.037 -1.270 0.000 1.053 1044 A CB -0.224 17.796 19.000 -1.634 0.000 1.082 1044 A HN 0.372 nan 8.150 nan 0.000 0.639 1045 S N 1.518 116.982 115.700 -0.395 0.000 2.564 1045 S HA 0.263 4.736 4.470 0.004 0.000 0.278 1045 S C -1.425 173.109 174.600 -0.110 0.000 1.333 1045 S CA -0.834 57.222 58.200 -0.240 0.000 1.048 1045 S CB 0.911 64.007 63.200 -0.173 0.000 0.900 1045 S HN 0.358 nan 8.310 nan 0.000 0.505 1046 P HA -0.136 nan 4.420 nan 0.000 0.212 1046 P C -0.121 177.037 177.300 -0.237 0.000 0.907 1046 P CA 1.167 64.056 63.100 -0.351 0.000 0.993 1046 P CB -0.024 31.188 31.700 -0.814 0.000 0.646 1047 F N 0.038 120.148 119.950 0.266 0.000 2.600 1047 F HA 0.234 4.763 4.527 0.004 0.000 0.345 1047 F C 1.143 177.108 175.800 0.275 0.000 1.271 1047 F CA -0.201 57.942 58.000 0.240 0.000 1.138 1047 F CB -1.238 37.882 39.000 0.201 0.000 1.449 1047 F HN 0.002 nan 8.300 nan 0.000 0.645 1048 T N -2.756 111.997 114.554 0.330 0.000 2.804 1048 T HA 0.297 4.650 4.350 0.004 0.000 0.290 1048 T C -0.120 174.720 174.700 0.234 0.000 1.099 1048 T CA -0.941 61.328 62.100 0.283 0.000 1.011 1048 T CB 2.035 71.050 68.868 0.245 0.000 1.291 1048 T HN 0.140 nan 8.240 nan 0.000 0.523 1049 D N 0.491 121.005 120.400 0.189 0.000 2.460 1049 D HA 0.321 4.963 4.640 0.004 0.000 0.229 1049 D C -0.073 176.309 176.300 0.138 0.000 1.170 1049 D CA -0.142 53.948 54.000 0.151 0.000 0.827 1049 D CB -0.204 40.669 40.800 0.121 0.000 0.973 1049 D HN 0.484 nan 8.370 nan 0.000 0.496 1050 I N 1.247 121.918 120.570 0.169 0.000 2.379 1050 I HA 0.025 4.198 4.170 0.004 0.000 0.290 1050 I C 0.690 176.854 176.117 0.078 0.000 1.063 1050 I CA 0.294 61.680 61.300 0.143 0.000 1.351 1050 I CB 0.944 39.076 38.000 0.221 0.000 1.410 1050 I HN -0.270 nan 8.210 nan 0.000 0.505 1051 T N 5.362 119.943 114.554 0.044 0.000 2.934 1051 T HA 0.169 4.521 4.350 0.004 0.000 0.283 1051 T C 1.200 175.873 174.700 -0.046 0.000 1.005 1051 T CA -0.576 61.527 62.100 0.005 0.000 1.041 1051 T CB 2.436 71.323 68.868 0.032 0.000 1.042 1051 T HN 0.307 nan 8.240 nan 0.000 0.505 1052 V N 1.471 121.341 119.914 -0.072 0.000 2.809 1052 V HA -0.064 4.058 4.120 0.004 0.000 0.256 1052 V C 2.285 178.373 176.094 -0.009 0.000 1.080 1052 V CA 1.454 63.708 62.300 -0.077 0.000 1.102 1052 V CB -0.447 31.325 31.823 -0.085 0.000 0.705 1052 V HN 0.716 nan 8.190 nan 0.000 0.475 1053 E N 0.685 120.891 120.200 0.009 0.000 2.004 1053 E HA -0.089 4.263 4.350 0.004 0.000 0.192 1053 E C 2.389 179.011 176.600 0.037 0.000 0.987 1053 E CA 1.306 57.723 56.400 0.029 0.000 0.822 1053 E CB -1.083 28.636 29.700 0.032 0.000 0.779 1053 E HN 0.478 nan 8.360 nan 0.000 0.458 1054 G N 1.887 110.710 108.800 0.038 0.000 2.661 1054 G HA2 -0.302 3.661 3.960 0.004 0.000 0.224 1054 G HA3 -0.302 3.661 3.960 0.004 0.000 0.224 1054 G C 1.714 176.646 174.900 0.053 0.000 1.114 1054 G CA 1.408 46.536 45.100 0.047 0.000 0.751 1054 G HN 0.202 nan 8.290 nan 0.000 0.609 1055 I N 0.427 121.023 120.570 0.044 0.000 2.235 1055 I HA -0.116 4.057 4.170 0.004 0.000 0.241 1055 I C 2.962 179.115 176.117 0.060 0.000 1.085 1055 I CA 1.194 62.524 61.300 0.050 0.000 1.378 1055 I CB -0.365 37.654 38.000 0.032 0.000 1.076 1055 I HN 0.111 nan 8.210 nan 0.000 0.415 1056 S N 0.759 116.492 115.700 0.056 0.000 2.400 1056 S HA -0.197 4.275 4.470 0.004 0.000 0.232 1056 S C 1.907 176.556 174.600 0.081 0.000 1.025 1056 S CA 1.313 59.556 58.200 0.073 0.000 0.993 1056 S CB -0.244 63.000 63.200 0.073 0.000 0.808 1056 S HN 0.364 nan 8.310 nan 0.000 0.478 1057 K N 0.818 121.260 120.400 0.071 0.000 2.057 1057 K HA 0.064 4.387 4.320 0.004 0.000 0.206 1057 K C 1.986 178.639 176.600 0.088 0.000 1.050 1057 K CA 0.871 57.200 56.287 0.070 0.000 0.935 1057 K CB -0.267 32.267 32.500 0.057 0.000 0.715 1057 K HN 0.313 nan 8.250 nan 0.000 0.439 1058 L N 0.569 121.853 121.223 0.101 0.000 2.056 1058 L HA -0.161 4.182 4.340 0.004 0.000 0.207 1058 L C 2.434 179.440 176.870 0.226 0.000 1.078 1058 L CA 0.623 55.552 54.840 0.147 0.000 0.749 1058 L CB -0.481 41.659 42.059 0.135 0.000 0.901 1058 L HN 0.190 nan 8.230 nan 0.000 0.433 1059 L N 0.398 121.724 121.223 0.171 0.000 2.131 1059 L HA -0.190 4.152 4.340 0.004 0.000 0.210 1059 L C 2.666 179.684 176.870 0.247 0.000 1.092 1059 L CA 1.569 56.527 54.840 0.196 0.000 0.759 1059 L CB -0.571 41.552 42.059 0.108 0.000 0.903 1059 L HN 0.102 nan 8.230 nan 0.000 0.435 1060 R N 0.477 121.080 120.500 0.172 0.000 2.066 1060 R HA -0.130 4.213 4.340 0.004 0.000 0.232 1060 R C 2.066 178.430 176.300 0.107 0.000 1.131 1060 R CA 1.850 58.032 56.100 0.137 0.000 0.955 1060 R CB -0.687 29.668 30.300 0.092 0.000 0.851 1060 R HN 0.533 nan 8.270 nan 0.000 0.432 1061 E N -0.528 119.723 120.200 0.085 0.000 2.333 1061 E HA -0.202 4.150 4.350 0.004 0.000 0.200 1061 E C 0.789 177.347 176.600 -0.071 0.000 1.010 1061 E CA 0.906 57.306 56.400 -0.001 0.000 0.841 1061 E CB -0.144 29.543 29.700 -0.020 0.000 0.757 1061 E HN 0.521 nan 8.360 nan 0.000 0.508 1062 H N -0.809 118.299 119.070 0.063 0.000 2.519 1062 H HA 0.129 4.687 4.556 0.004 0.000 0.289 1062 H C 1.092 176.422 175.328 0.003 0.000 1.040 1062 H CA 0.616 56.711 56.048 0.079 0.000 1.165 1062 H CB 0.618 30.482 29.762 0.170 0.000 1.462 1062 H HN 0.294 nan 8.280 nan 0.000 0.555 1063 G N 0.788 109.601 108.800 0.022 0.000 2.179 1063 G HA2 -0.305 3.657 3.960 0.004 0.000 0.257 1063 G HA3 -0.305 3.657 3.960 0.004 0.000 0.257 1063 G C -0.356 174.406 174.900 -0.231 0.000 1.010 1063 G CA 0.278 45.302 45.100 -0.126 0.000 0.736 1063 G HN 0.438 nan 8.290 nan 0.000 0.513 1064 Y N -1.020 119.326 120.300 0.076 0.000 2.485 1064 Y HA 0.539 5.091 4.550 0.004 0.000 0.345 1064 Y C 0.521 176.460 175.900 0.064 0.000 0.998 1064 Y CA -1.029 57.108 58.100 0.061 0.000 1.059 1064 Y CB 1.391 39.884 38.460 0.055 0.000 1.234 1064 Y HN 0.236 nan 8.280 nan 0.000 0.461 1065 Q N 1.221 121.177 119.800 0.260 0.000 2.269 1065 Q HA -0.021 4.322 4.340 0.004 0.000 0.300 1065 Q C 0.732 176.843 176.000 0.186 0.000 1.070 1065 Q CA 0.666 56.580 55.803 0.186 0.000 0.957 1065 Q CB 0.973 29.827 28.738 0.193 0.000 1.131 1065 Q HN 0.704 nan 8.270 nan 0.000 0.377 1066 S N 3.663 119.453 115.700 0.151 0.000 2.711 1066 S HA -0.055 4.417 4.470 0.004 0.000 0.237 1066 S C 0.572 175.266 174.600 0.156 0.000 0.971 1066 S CA 0.442 58.725 58.200 0.137 0.000 0.964 1066 S CB -0.057 63.207 63.200 0.107 0.000 0.775 1066 S HN 0.698 nan 8.310 nan 0.000 0.540 1067 R N -0.727 119.905 120.500 0.220 0.000 2.513 1067 R HA 0.351 4.693 4.340 0.004 0.000 0.245 1067 R C 1.579 177.997 176.300 0.198 0.000 0.908 1067 R CA 0.686 56.954 56.100 0.280 0.000 1.023 1067 R CB -0.039 30.540 30.300 0.465 0.000 1.338 1067 R HN 0.549 nan 8.270 nan 0.000 0.575 1068 G N 0.527 109.359 108.800 0.053 0.000 2.260 1068 G HA2 -0.195 3.767 3.960 0.004 0.000 0.179 1068 G HA3 -0.195 3.767 3.960 0.004 0.000 0.179 1068 G C -0.078 174.661 174.900 -0.267 0.000 1.002 1068 G CA -0.588 44.301 45.100 -0.351 0.000 0.677 1068 G HN 0.095 nan 8.290 nan 0.000 0.486 1069 F N 1.598 121.570 119.950 0.037 0.000 2.410 1069 F HA 0.633 5.162 4.527 0.004 0.000 0.334 1069 F C 0.913 176.732 175.800 0.032 0.000 1.134 1069 F CA 0.154 58.194 58.000 0.067 0.000 1.227 1069 F CB 0.804 39.857 39.000 0.088 0.000 1.194 1069 F HN 0.044 nan 8.300 nan 0.000 0.571 1070 E N 0.622 120.946 120.200 0.206 0.000 2.343 1070 E HA 0.233 4.585 4.350 0.004 0.000 0.288 1070 E C -1.431 175.183 176.600 0.023 0.000 0.907 1070 E CA -0.718 55.739 56.400 0.094 0.000 0.792 1070 E CB 2.182 31.878 29.700 -0.008 0.000 1.275 1070 E HN 0.200 nan 8.360 nan 0.000 0.402 1071 V N 3.948 123.859 119.914 -0.005 0.000 2.752 1071 V HA -0.067 4.056 4.120 0.004 0.000 0.306 1071 V C 0.330 176.309 176.094 -0.191 0.000 1.099 1071 V CA 1.106 63.334 62.300 -0.119 0.000 1.240 1071 V CB -0.038 31.693 31.823 -0.153 0.000 0.887 1071 V HN 0.679 nan 8.190 nan 0.000 0.499 1072 M N 4.617 124.033 119.600 -0.307 0.000 2.501 1072 M HA 0.485 4.967 4.480 0.004 0.000 0.293 1072 M C -1.723 174.262 176.300 -0.525 0.000 1.192 1072 M CA -0.581 54.533 55.300 -0.310 0.000 0.886 1072 M CB 2.644 35.125 32.600 -0.198 0.000 1.710 1072 M HN 0.535 nan 8.290 nan 0.000 0.457 1073 Y N 0.763 120.655 120.300 -0.681 0.000 2.360 1073 Y HA 0.312 4.865 4.550 0.004 0.000 0.337 1073 Y C 0.499 175.889 175.900 -0.850 0.000 1.039 1073 Y CA -1.211 56.376 58.100 -0.855 0.000 1.109 1073 Y CB 0.591 38.352 38.460 -1.166 0.000 1.201 1073 Y HN 0.548 nan 8.280 nan 0.000 0.458 1074 N N 1.852 120.419 118.700 -0.221 0.000 2.434 1074 N HA -0.042 4.701 4.740 0.004 0.000 0.268 1074 N C 1.196 176.748 175.510 0.069 0.000 1.256 1074 N CA 0.791 53.826 53.050 -0.025 0.000 0.914 1074 N CB 1.279 39.757 38.487 -0.015 0.000 1.088 1074 N HN 1.042 nan 8.380 nan 0.000 0.478 1075 G N 3.764 112.690 108.800 0.209 0.000 2.505 1075 G HA2 -0.311 3.651 3.960 0.004 0.000 0.220 1075 G HA3 -0.311 3.651 3.960 0.004 0.000 0.220 1075 G C 1.102 176.215 174.900 0.354 0.000 1.145 1075 G CA 1.002 46.326 45.100 0.373 0.000 0.761 1075 G HN 0.731 nan 8.290 nan 0.000 0.571 1076 H N 0.147 119.275 119.070 0.096 0.000 2.267 1076 H HA -0.022 4.537 4.556 0.005 0.000 0.297 1076 H C 2.915 178.279 175.328 0.060 0.000 1.080 1076 H CA 1.760 57.827 56.048 0.032 0.000 1.278 1076 H CB -1.059 28.683 29.762 -0.035 0.000 1.365 1076 H HN 0.277 nan 8.280 nan 0.000 0.489 1077 T N -1.316 113.363 114.554 0.208 0.000 2.978 1077 T HA 0.148 4.500 4.350 0.004 0.000 0.262 1077 T C 1.747 176.543 174.700 0.160 0.000 1.063 1077 T CA 1.362 63.547 62.100 0.141 0.000 1.140 1077 T CB -0.327 68.596 68.868 0.092 0.000 0.886 1077 T HN 0.715 nan 8.240 nan 0.000 0.470 1078 G N 1.543 110.476 108.800 0.221 0.000 2.253 1078 G HA2 -0.288 3.675 3.960 0.004 0.000 0.251 1078 G HA3 -0.288 3.675 3.960 0.004 0.000 0.251 1078 G C 0.323 175.383 174.900 0.265 0.000 0.998 1078 G CA 0.624 45.909 45.100 0.308 0.000 0.621 1078 G HN 0.585 nan 8.290 nan 0.000 0.524 1079 K N 0.917 121.418 120.400 0.169 0.000 2.156 1079 K HA 0.425 4.747 4.320 0.004 0.000 0.242 1079 K C 0.690 177.358 176.600 0.112 0.000 1.033 1079 K CA -0.087 56.286 56.287 0.144 0.000 0.878 1079 K CB 0.201 32.740 32.500 0.065 0.000 1.057 1079 K HN 0.260 nan 8.250 nan 0.000 0.505 1080 K N 1.155 121.549 120.400 -0.009 0.000 2.098 1080 K HA 0.253 4.575 4.320 0.004 0.000 0.257 1080 K C -0.453 176.017 176.600 -0.217 0.000 0.999 1080 K CA -0.481 55.617 56.287 -0.315 0.000 0.924 1080 K CB 0.727 33.021 32.500 -0.343 0.000 1.028 1080 K HN 0.376 nan 8.250 nan 0.000 0.466 1081 L N 3.174 124.231 121.223 -0.277 0.000 2.265 1081 L HA 0.119 4.461 4.340 0.004 0.000 0.288 1081 L C 1.186 177.985 176.870 -0.119 0.000 1.058 1081 L CA -0.420 54.331 54.840 -0.148 0.000 0.809 1081 L CB 1.045 43.031 42.059 -0.122 0.000 1.179 1081 L HN 0.719 nan 8.230 nan 0.000 0.429 1082 M N 3.701 123.257 119.600 -0.073 0.000 2.426 1082 M HA -0.077 4.405 4.480 0.004 0.000 0.261 1082 M C 0.478 176.751 176.300 -0.045 0.000 1.068 1082 M CA 0.956 56.223 55.300 -0.056 0.000 1.066 1082 M CB -0.280 32.299 32.600 -0.035 0.000 1.399 1082 M HN 0.525 nan 8.290 nan 0.000 0.449 1083 A N 0.257 123.059 122.820 -0.030 0.000 2.311 1083 A HA 0.621 4.944 4.320 0.004 0.000 0.306 1083 A C -0.531 177.070 177.584 0.029 0.000 1.189 1083 A CA -0.882 51.156 52.037 0.001 0.000 0.791 1083 A CB 0.531 19.547 19.000 0.026 0.000 1.172 1083 A HN 0.370 nan 8.150 nan 0.000 0.481 1084 Q N 0.676 120.504 119.800 0.047 0.000 2.474 1084 Q HA 0.517 4.860 4.340 0.004 0.000 0.256 1084 Q C -0.459 175.728 176.000 0.311 0.000 1.048 1084 Q CA 0.852 56.732 55.803 0.129 0.000 0.922 1084 Q CB 0.573 29.386 28.738 0.124 0.000 1.288 1084 Q HN 0.670 nan 8.270 nan 0.000 0.484 1085 I N 0.546 121.282 120.570 0.276 0.000 2.646 1085 I HA 0.285 4.457 4.170 0.004 0.000 0.299 1085 I C -0.762 175.422 176.117 0.112 0.000 1.036 1085 I CA -1.102 60.331 61.300 0.221 0.000 1.074 1085 I CB 1.278 39.364 38.000 0.144 0.000 1.258 1085 I HN 0.480 nan 8.210 nan 0.000 0.430 1086 F N 5.612 125.418 119.950 -0.240 0.000 2.494 1086 F HA 0.263 4.792 4.527 0.004 0.000 0.369 1086 F C -0.809 174.932 175.800 -0.100 0.000 1.098 1086 F CA 0.081 57.858 58.000 -0.372 0.000 1.154 1086 F CB -0.081 38.668 39.000 -0.419 0.000 1.103 1086 F HN 0.157 nan 8.300 nan 0.000 0.549 1087 F N 4.659 124.298 119.950 -0.518 0.000 2.539 1087 F HA 0.721 5.250 4.527 0.004 0.000 0.318 1087 F C -0.131 175.383 175.800 -0.475 0.000 1.135 1087 F CA -0.254 57.525 58.000 -0.368 0.000 0.915 1087 F CB 1.517 40.384 39.000 -0.222 0.000 1.176 1087 F HN 0.589 nan 8.300 nan 0.000 0.440 1088 G N 4.849 113.323 108.800 -0.544 0.000 2.441 1088 G HA2 0.444 4.406 3.960 0.004 0.000 0.294 1088 G HA3 0.444 4.406 3.960 0.004 0.000 0.294 1088 G C -3.521 171.179 174.900 -0.334 0.000 1.393 1088 G CA -1.008 43.872 45.100 -0.367 0.000 0.796 1088 G HN 0.286 nan 8.290 nan 0.000 0.494 1089 P HA 0.500 nan 4.420 nan 0.000 0.294 1089 P C -0.994 176.276 177.300 -0.049 0.000 1.294 1089 P CA -0.144 62.877 63.100 -0.132 0.000 0.827 1089 P CB 1.848 33.498 31.700 -0.084 0.000 0.992 1090 T N 2.338 116.894 114.554 0.003 0.000 2.991 1090 T HA 0.167 4.520 4.350 0.004 0.000 0.303 1090 T C -0.877 173.981 174.700 0.265 0.000 1.015 1090 T CA -0.306 61.868 62.100 0.124 0.000 1.007 1090 T CB 0.542 69.499 68.868 0.147 0.000 1.034 1090 T HN 0.202 nan 8.240 nan 0.000 0.446 1091 Y N 3.284 123.658 120.300 0.123 0.000 2.677 1091 Y HA 0.266 4.819 4.550 0.005 0.000 0.335 1091 Y C -0.895 175.148 175.900 0.239 0.000 1.162 1091 Y CA 0.188 58.380 58.100 0.153 0.000 1.483 1091 Y CB -0.022 38.474 38.460 0.061 0.000 1.209 1091 Y HN 0.554 nan 8.280 nan 0.000 0.528 1092 Y N 3.867 124.071 120.300 -0.160 0.000 2.409 1092 Y HA 0.365 4.917 4.550 0.004 0.000 0.343 1092 Y C -0.276 175.655 175.900 0.052 0.000 0.973 1092 Y CA -1.119 56.998 58.100 0.029 0.000 1.064 1092 Y CB 1.601 40.151 38.460 0.151 0.000 1.207 1092 Y HN 0.485 nan 8.280 nan 0.000 0.452 1093 Q N 2.836 122.674 119.800 0.064 0.000 2.222 1093 Q HA 0.446 4.788 4.340 0.004 0.000 0.252 1093 Q C -0.481 175.517 176.000 -0.002 0.000 0.926 1093 Q CA -1.005 54.839 55.803 0.068 0.000 0.899 1093 Q CB 1.927 30.684 28.738 0.032 0.000 1.250 1093 Q HN 0.461 nan 8.270 nan 0.000 0.441 1094 R N 2.951 123.416 120.500 -0.058 0.000 2.278 1094 R HA 0.289 4.632 4.340 0.004 0.000 0.322 1094 R C -0.818 175.309 176.300 -0.288 0.000 1.058 1094 R CA -0.250 55.659 56.100 -0.317 0.000 0.991 1094 R CB 0.057 30.248 30.300 -0.181 0.000 1.140 1094 R HN 0.579 nan 8.270 nan 0.000 0.518 1095 L N 4.445 125.452 121.223 -0.360 0.000 2.452 1095 L HA 0.284 4.626 4.340 0.004 0.000 0.267 1095 L C 1.120 177.823 176.870 -0.279 0.000 1.188 1095 L CA -0.335 54.352 54.840 -0.257 0.000 0.821 1095 L CB 0.375 42.307 42.059 -0.211 0.000 1.102 1095 L HN 0.569 nan 8.230 nan 0.000 0.470 1096 R N 0.619 120.970 120.500 -0.249 0.000 2.652 1096 R HA 0.304 4.646 4.340 0.004 0.000 0.272 1096 R C -0.839 175.316 176.300 -0.241 0.000 1.162 1096 R CA -0.618 55.314 56.100 -0.279 0.000 1.199 1096 R CB 0.348 30.446 30.300 -0.337 0.000 1.166 1096 R HN 0.659 nan 8.270 nan 0.000 0.597 1097 H N -0.615 118.344 119.070 -0.186 0.000 3.685 1097 H HA -0.076 4.482 4.556 0.004 0.000 0.369 1097 H C -1.298 173.916 175.328 -0.190 0.000 1.080 1097 H CA 0.475 56.420 56.048 -0.171 0.000 1.157 1097 H CB -1.082 28.586 29.762 -0.157 0.000 1.461 1097 H HN 0.617 nan 8.280 nan 0.000 0.387 1098 M N 2.490 122.046 119.600 -0.072 0.000 2.311 1098 M HA 0.267 4.749 4.480 0.004 0.000 0.325 1098 M C 1.829 178.079 176.300 -0.082 0.000 1.061 1098 M CA -0.839 54.392 55.300 -0.115 0.000 0.957 1098 M CB 2.319 34.825 32.600 -0.157 0.000 1.646 1098 M HN 0.137 nan 8.290 nan 0.000 0.434 1099 V N 1.697 121.568 119.914 -0.071 0.000 2.243 1099 V HA -0.391 3.732 4.120 0.004 0.000 0.258 1099 V C 1.583 177.649 176.094 -0.047 0.000 1.073 1099 V CA 2.499 64.768 62.300 -0.051 0.000 1.069 1099 V CB -0.530 31.270 31.823 -0.039 0.000 0.681 1099 V HN 0.907 nan 8.190 nan 0.000 0.457 1100 D N -0.365 120.004 120.400 -0.052 0.000 2.203 1100 D HA -0.157 4.485 4.640 0.004 0.000 0.199 1100 D C 1.686 177.955 176.300 -0.052 0.000 0.997 1100 D CA 1.393 55.364 54.000 -0.047 0.000 0.863 1100 D CB -0.427 40.342 40.800 -0.053 0.000 0.928 1100 D HN 0.544 nan 8.370 nan 0.000 0.458 1101 D N -0.543 119.812 120.400 -0.076 0.000 2.363 1101 D HA -0.008 4.634 4.640 0.004 0.000 0.226 1101 D C 1.454 177.736 176.300 -0.030 0.000 1.020 1101 D CA 0.508 54.463 54.000 -0.075 0.000 0.892 1101 D CB 0.244 40.977 40.800 -0.113 0.000 0.900 1101 D HN 0.317 nan 8.370 nan 0.000 0.531 1102 K N -0.369 120.018 120.400 -0.022 0.000 2.474 1102 K HA 0.228 4.550 4.320 0.004 0.000 0.202 1102 K C 1.495 178.110 176.600 0.025 0.000 1.248 1102 K CA -0.081 56.202 56.287 -0.006 0.000 0.946 1102 K CB 0.746 33.227 32.500 -0.032 0.000 1.102 1102 K HN 0.019 nan 8.250 nan 0.000 0.541 1103 I N 2.705 123.282 120.570 0.013 0.000 3.292 1103 I HA -0.223 3.950 4.170 0.004 0.000 0.309 1103 I C 0.812 176.957 176.117 0.047 0.000 1.258 1103 I CA 0.426 61.736 61.300 0.017 0.000 1.339 1103 I CB -1.913 36.088 38.000 0.001 0.000 1.062 1103 I HN 0.208 nan 8.210 nan 0.000 0.579 1104 H N 2.602 121.662 119.070 -0.018 0.000 3.144 1104 H HA 0.214 4.772 4.556 0.004 0.000 0.336 1104 H C -0.017 175.306 175.328 -0.008 0.000 1.065 1104 H CA 0.215 56.257 56.048 -0.011 0.000 1.338 1104 H CB 0.463 30.220 29.762 -0.009 0.000 1.251 1104 H HN 0.377 nan 8.280 nan 0.000 0.602 1105 A N 5.353 127.704 122.820 -0.783 0.000 2.495 1105 A HA 0.354 4.676 4.320 0.004 0.000 0.297 1105 A C -0.547 176.766 177.584 -0.451 0.000 1.036 1105 A CA -0.664 51.015 52.037 -0.597 0.000 0.982 1105 A CB 0.644 19.504 19.000 -0.233 0.000 1.476 1105 A HN 0.824 nan 8.150 nan 0.000 0.393 1106 R N 1.848 122.089 120.500 -0.432 0.000 2.668 1106 R HA 0.833 5.175 4.340 0.004 0.000 0.279 1106 R C -0.359 175.900 176.300 -0.068 0.000 0.976 1106 R CA 0.043 56.077 56.100 -0.110 0.000 0.978 1106 R CB 1.711 32.048 30.300 0.060 0.000 1.133 1106 R HN 1.300 nan 8.270 nan 0.000 0.484 1107 A N 4.415 127.216 122.820 -0.032 0.000 3.370 1107 A HA 0.255 4.577 4.320 0.004 0.000 0.295 1107 A C -0.847 176.725 177.584 -0.020 0.000 1.030 1107 A CA -0.497 51.521 52.037 -0.031 0.000 0.883 1107 A CB 0.011 18.991 19.000 -0.034 0.000 1.191 1107 A HN 0.964 nan 8.150 nan 0.000 0.507 1108 R N -0.704 119.787 120.500 -0.015 0.000 2.022 1108 R HA -0.084 4.258 4.340 0.004 0.000 0.372 1108 R C -0.039 176.259 176.300 -0.003 0.000 1.161 1108 R CA 0.967 57.059 56.100 -0.013 0.000 0.928 1108 R CB -1.609 28.676 30.300 -0.025 0.000 2.817 1108 R HN 1.461 nan 8.270 nan 0.000 0.489 1109 G N 3.332 112.137 108.800 0.008 0.000 3.356 1109 G HA2 0.715 4.677 3.960 0.004 0.000 0.178 1109 G HA3 0.715 4.677 3.960 0.004 0.000 0.178 1109 G C -2.376 172.528 174.900 0.007 0.000 1.130 1109 G CA -0.279 44.829 45.100 0.014 0.000 0.800 1109 G HN 0.599 nan 8.290 nan 0.000 0.669 1110 P HA 0.380 nan 4.420 nan 0.000 0.279 1110 P C -0.855 176.443 177.300 -0.004 0.000 1.239 1110 P CA 0.109 63.210 63.100 0.003 0.000 0.789 1110 P CB 1.526 33.232 31.700 0.009 0.000 0.933 1111 M N 1.182 120.771 119.600 -0.018 0.000 2.598 1111 M HA 0.311 4.793 4.480 0.004 0.000 0.317 1111 M C 0.409 176.693 176.300 -0.026 0.000 1.179 1111 M CA -0.904 54.382 55.300 -0.023 0.000 0.936 1111 M CB 2.113 34.688 32.600 -0.042 0.000 1.713 1111 M HN 0.379 nan 8.290 nan 0.000 0.460 1112 Q N 0.627 120.417 119.800 -0.016 0.000 2.361 1112 Q HA 0.073 4.415 4.340 0.004 0.000 0.276 1112 Q C 0.902 176.885 176.000 -0.028 0.000 1.022 1112 Q CA -0.225 55.572 55.803 -0.009 0.000 0.898 1112 Q CB 1.224 29.968 28.738 0.011 0.000 1.246 1112 Q HN 0.557 nan 8.270 nan 0.000 0.410 1113 V N 3.486 123.385 119.914 -0.024 0.000 2.548 1113 V HA -0.215 3.908 4.120 0.004 0.000 0.249 1113 V C 1.701 177.784 176.094 -0.018 0.000 1.055 1113 V CA 1.205 63.477 62.300 -0.046 0.000 1.065 1113 V CB -0.421 31.385 31.823 -0.029 0.000 0.681 1113 V HN 0.679 nan 8.190 nan 0.000 0.462 1114 L N 0.295 121.540 121.223 0.037 0.000 2.109 1114 L HA -0.046 4.297 4.340 0.004 0.000 0.207 1114 L C 2.083 179.095 176.870 0.236 0.000 1.086 1114 L CA 2.334 57.237 54.840 0.105 0.000 0.760 1114 L CB -0.522 41.579 42.059 0.068 0.000 0.910 1114 L HN 0.360 nan 8.230 nan 0.000 0.437 1115 T N -1.722 112.940 114.554 0.179 0.000 3.010 1115 T HA 0.204 4.556 4.350 0.004 0.000 0.257 1115 T C 0.639 175.514 174.700 0.291 0.000 1.020 1115 T CA -0.166 62.093 62.100 0.264 0.000 0.938 1115 T CB 0.210 69.145 68.868 0.112 0.000 1.049 1115 T HN 0.249 nan 8.240 nan 0.000 0.522 1116 R N 0.817 121.341 120.500 0.041 0.000 3.770 1116 R HA -0.152 4.190 4.340 0.004 0.000 0.305 1116 R C -0.312 175.976 176.300 -0.019 0.000 1.184 1116 R CA 0.535 56.571 56.100 -0.108 0.000 0.823 1116 R CB -1.847 28.238 30.300 -0.357 0.000 1.285 1116 R HN 0.504 nan 8.270 nan 0.000 0.499 1117 Q N -0.032 119.780 119.800 0.020 0.000 2.306 1117 Q HA 0.380 4.722 4.340 0.004 0.000 0.265 1117 Q C -2.406 173.599 176.000 0.008 0.000 1.022 1117 Q CA -2.339 53.476 55.803 0.020 0.000 0.853 1117 Q CB 1.869 30.629 28.738 0.036 0.000 1.327 1117 Q HN -0.168 nan 8.270 nan 0.000 0.449 1118 P HA -0.155 nan 4.420 nan 0.000 0.266 1118 P C -0.751 176.558 177.300 0.016 0.000 1.180 1118 P CA 0.203 63.311 63.100 0.012 0.000 0.765 1118 P CB 0.322 32.035 31.700 0.021 0.000 0.806 1119 V N 0.155 120.077 119.914 0.013 0.000 3.083 1119 V HA 0.340 4.462 4.120 0.004 0.000 0.306 1119 V C 0.330 176.425 176.094 0.002 0.000 1.077 1119 V CA -0.499 61.805 62.300 0.006 0.000 1.073 1119 V CB 0.769 32.592 31.823 0.000 0.000 1.081 1119 V HN 0.501 nan 8.190 nan 0.000 0.474 1120 E N 1.076 121.272 120.200 -0.007 0.000 2.312 1120 E HA 0.553 4.906 4.350 0.004 0.000 0.259 1120 E C 0.367 176.935 176.600 -0.054 0.000 1.122 1120 E CA 0.162 56.550 56.400 -0.019 0.000 0.922 1120 E CB 1.137 30.831 29.700 -0.009 0.000 1.109 1120 E HN 1.811 nan 8.360 nan 0.000 0.442 1121 G N 1.300 110.054 108.800 -0.077 0.000 2.825 1121 G HA2 -0.293 3.670 3.960 0.004 0.000 0.684 1121 G HA3 -0.293 3.670 3.960 0.004 0.000 0.684 1121 G C 0.270 175.013 174.900 -0.262 0.000 1.528 1121 G CA 0.285 45.311 45.100 -0.124 0.000 0.963 1121 G HN 0.766 nan 8.290 nan 0.000 0.577 1122 R N -0.381 119.918 120.500 -0.335 0.000 2.237 1122 R HA 0.209 4.552 4.340 0.004 0.000 0.195 1122 R C 2.551 178.715 176.300 -0.228 0.000 0.956 1122 R CA 1.442 57.205 56.100 -0.561 0.000 1.029 1122 R CB -0.305 29.680 30.300 -0.524 0.000 0.972 1122 R HN 0.946 nan 8.270 nan 0.000 0.493 1123 S N 1.170 116.798 115.700 -0.120 0.000 2.442 1123 S HA -0.073 4.399 4.470 0.004 0.000 0.236 1123 S C 1.652 176.231 174.600 -0.035 0.000 1.007 1123 S CA 0.671 58.845 58.200 -0.043 0.000 0.965 1123 S CB -0.175 63.017 63.200 -0.013 0.000 0.773 1123 S HN 0.468 nan 8.310 nan 0.000 0.504 1124 R N 0.670 121.130 120.500 -0.065 0.000 2.397 1124 R HA 0.201 4.544 4.340 0.004 0.000 0.241 1124 R C -0.308 175.971 176.300 -0.035 0.000 0.914 1124 R CA 0.469 56.547 56.100 -0.037 0.000 1.071 1124 R CB 0.037 30.317 30.300 -0.032 0.000 1.116 1124 R HN 0.359 nan 8.270 nan 0.000 0.524 1125 D N 0.590 120.946 120.400 -0.074 0.000 2.778 1125 D HA -0.109 4.534 4.640 0.004 0.000 0.246 1125 D C 0.042 176.367 176.300 0.042 0.000 1.107 1125 D CA 0.958 54.971 54.000 0.022 0.000 0.732 1125 D CB -1.061 39.777 40.800 0.063 0.000 1.055 1125 D HN 0.384 nan 8.370 nan 0.000 0.429 1126 G N -0.562 108.201 108.800 -0.062 0.000 2.574 1126 G HA2 0.742 4.705 3.960 0.004 0.000 0.248 1126 G HA3 0.742 4.705 3.960 0.004 0.000 0.248 1126 G C 0.504 175.508 174.900 0.173 0.000 1.422 1126 G CA -0.076 45.037 45.100 0.021 0.000 1.051 1126 G HN 0.593 nan 8.290 nan 0.000 0.560 1127 G N -1.722 107.154 108.800 0.126 0.000 2.537 1127 G HA2 0.557 4.520 3.960 0.004 0.000 0.308 1127 G HA3 0.557 4.520 3.960 0.004 0.000 0.308 1127 G C -0.934 174.050 174.900 0.140 0.000 1.237 1127 G CA -0.810 44.377 45.100 0.145 0.000 0.968 1127 G HN 0.507 nan 8.290 nan 0.000 0.481 1128 L N 0.156 121.458 121.223 0.131 0.000 2.375 1128 L HA 0.458 4.801 4.340 0.004 0.000 0.271 1128 L C 0.773 177.716 176.870 0.120 0.000 1.107 1128 L CA -0.950 53.963 54.840 0.122 0.000 0.806 1128 L CB 1.322 43.449 42.059 0.113 0.000 1.146 1128 L HN 0.454 nan 8.230 nan 0.000 0.447 1129 R N 1.845 122.405 120.500 0.100 0.000 2.351 1129 R HA 0.035 4.378 4.340 0.004 0.000 0.318 1129 R C -0.624 175.757 176.300 0.136 0.000 1.055 1129 R CA 0.313 56.472 56.100 0.098 0.000 0.968 1129 R CB -0.074 30.255 30.300 0.049 0.000 0.974 1129 R HN 0.398 nan 8.270 nan 0.000 0.439 1130 F N 5.338 125.302 119.950 0.023 0.000 2.899 1130 F HA 0.447 4.977 4.527 0.004 0.000 0.308 1130 F C 0.738 176.554 175.800 0.027 0.000 1.221 1130 F CA -0.439 57.580 58.000 0.033 0.000 1.265 1130 F CB 0.041 39.060 39.000 0.031 0.000 1.253 1130 F HN 0.709 nan 8.300 nan 0.000 0.534 1131 G N 1.020 109.792 108.800 -0.047 0.000 2.661 1131 G HA2 -0.069 3.893 3.960 0.004 0.000 0.272 1131 G HA3 -0.069 3.893 3.960 0.004 0.000 0.272 1131 G C 0.970 175.799 174.900 -0.118 0.000 1.296 1131 G CA -0.212 44.858 45.100 -0.050 0.000 0.998 1131 G HN 0.444 nan 8.290 nan 0.000 0.553 1132 E N -0.838 119.327 120.200 -0.059 0.000 2.082 1132 E HA -0.298 4.055 4.350 0.004 0.000 0.215 1132 E C 2.528 179.069 176.600 -0.099 0.000 1.048 1132 E CA 1.962 58.330 56.400 -0.054 0.000 0.869 1132 E CB -0.229 29.450 29.700 -0.035 0.000 0.773 1132 E HN 0.517 nan 8.360 nan 0.000 0.466 1133 M N 0.332 119.866 119.600 -0.110 0.000 2.082 1133 M HA -0.241 4.242 4.480 0.004 0.000 0.258 1133 M C 2.009 178.201 176.300 -0.180 0.000 1.069 1133 M CA 1.732 56.960 55.300 -0.120 0.000 1.102 1133 M CB -0.030 32.510 32.600 -0.101 0.000 1.336 1133 M HN -0.025 nan 8.290 nan 0.000 0.404 1134 E N -0.514 119.496 120.200 -0.316 0.000 2.077 1134 E HA -0.189 4.164 4.350 0.004 0.000 0.193 1134 E C 1.885 178.227 176.600 -0.429 0.000 0.989 1134 E CA 1.078 57.181 56.400 -0.496 0.000 0.800 1134 E CB -0.415 28.674 29.700 -1.018 0.000 0.746 1134 E HN 0.384 nan 8.360 nan 0.000 0.452 1135 R N 0.868 121.150 120.500 -0.364 0.000 2.082 1135 R HA -0.193 4.150 4.340 0.004 0.000 0.234 1135 R C 1.361 177.676 176.300 0.025 0.000 1.136 1135 R CA 1.968 58.064 56.100 -0.007 0.000 0.935 1135 R CB -0.340 29.997 30.300 0.060 0.000 0.842 1135 R HN 0.175 nan 8.270 nan 0.000 0.430 1136 D N 0.323 120.704 120.400 -0.031 0.000 2.149 1136 D HA -0.214 4.428 4.640 0.004 0.000 0.194 1136 D C 2.034 178.310 176.300 -0.039 0.000 1.001 1136 D CA 1.553 55.537 54.000 -0.027 0.000 0.849 1136 D CB -0.613 40.159 40.800 -0.047 0.000 0.939 1136 D HN 0.377 nan 8.370 nan 0.000 0.449 1137 C N 0.745 120.010 119.300 -0.058 0.000 2.432 1137 C HA -0.118 4.345 4.460 0.004 0.000 0.277 1137 C C 2.772 177.749 174.990 -0.022 0.000 1.249 1137 C CA 0.374 59.340 59.018 -0.087 0.000 1.725 1137 C CB -0.702 27.009 27.740 -0.049 0.000 2.028 1137 C HN 0.340 nan 8.230 nan 0.000 0.477 1138 M N 0.718 120.395 119.600 0.128 0.000 2.117 1138 M HA -0.071 4.412 4.480 0.004 0.000 0.262 1138 M C 1.986 178.382 176.300 0.161 0.000 1.065 1138 M CA 1.568 57.010 55.300 0.237 0.000 1.114 1138 M CB -1.374 31.474 32.600 0.413 0.000 1.361 1138 M HN 0.377 nan 8.290 nan 0.000 0.408 1139 I N 0.125 120.759 120.570 0.107 0.000 2.208 1139 I HA -0.272 3.900 4.170 0.004 0.000 0.245 1139 I C 2.510 178.640 176.117 0.022 0.000 1.097 1139 I CA 1.292 62.634 61.300 0.070 0.000 1.363 1139 I CB -0.707 37.320 38.000 0.046 0.000 1.051 1139 I HN 0.227 nan 8.210 nan 0.000 0.413 1140 A N -0.178 122.614 122.820 -0.047 0.000 1.972 1140 A HA -0.221 4.101 4.320 0.004 0.000 0.219 1140 A C 2.029 179.529 177.584 -0.139 0.000 1.169 1140 A CA 1.491 53.453 52.037 -0.124 0.000 0.635 1140 A CB -0.796 18.072 19.000 -0.220 0.000 0.810 1140 A HN 0.448 nan 8.150 nan 0.000 0.446 1141 H N -1.039 118.029 119.070 -0.004 0.000 2.547 1141 H HA 0.169 4.727 4.556 0.004 0.000 0.266 1141 H C 1.771 177.095 175.328 -0.006 0.000 0.988 1141 H CA 0.495 56.532 56.048 -0.018 0.000 1.147 1141 H CB -0.209 29.524 29.762 -0.047 0.000 1.365 1141 H HN 0.607 nan 8.280 nan 0.000 0.589 1142 G N 0.802 109.665 108.800 0.104 0.000 2.187 1142 G HA2 -0.302 3.660 3.960 0.004 0.000 0.261 1142 G HA3 -0.302 3.660 3.960 0.004 0.000 0.261 1142 G C 0.634 175.587 174.900 0.088 0.000 1.000 1142 G CA 0.439 45.586 45.100 0.078 0.000 0.718 1142 G HN 0.631 nan 8.290 nan 0.000 0.519 1143 A N -0.173 122.717 122.820 0.116 0.000 3.078 1143 A HA 0.817 5.139 4.320 0.004 0.000 0.279 1143 A C 1.743 179.424 177.584 0.162 0.000 1.594 1143 A CA 0.947 53.052 52.037 0.113 0.000 1.301 1143 A CB -0.282 18.757 19.000 0.064 0.000 1.162 1143 A HN 1.711 nan 8.150 nan 0.000 0.585 1144 A N 1.026 123.917 122.820 0.118 0.000 1.873 1144 A HA -0.136 4.187 4.320 0.004 0.000 0.218 1144 A C 2.504 180.155 177.584 0.112 0.000 1.193 1144 A CA 2.400 54.502 52.037 0.107 0.000 0.629 1144 A CB -0.882 18.160 19.000 0.071 0.000 0.826 1144 A HN 0.595 nan 8.150 nan 0.000 0.447 1145 S N -1.369 114.392 115.700 0.102 0.000 2.359 1145 S HA -0.192 4.281 4.470 0.004 0.000 0.223 1145 S C 1.664 176.317 174.600 0.088 0.000 1.039 1145 S CA 1.695 59.943 58.200 0.080 0.000 1.042 1145 S CB -0.586 62.656 63.200 0.070 0.000 0.915 1145 S HN 0.620 nan 8.310 nan 0.000 0.439 1146 F N 2.072 122.020 119.950 -0.004 0.000 2.065 1146 F HA -0.194 4.335 4.527 0.004 0.000 0.298 1146 F C 2.007 177.781 175.800 -0.043 0.000 1.112 1146 F CA 1.508 59.494 58.000 -0.024 0.000 1.212 1146 F CB -0.576 38.422 39.000 -0.003 0.000 0.975 1146 F HN 0.135 nan 8.300 nan 0.000 0.476 1147 L N 0.617 121.945 121.223 0.174 0.000 1.978 1147 L HA -0.357 3.986 4.340 0.004 0.000 0.218 1147 L C 2.763 179.565 176.870 -0.113 0.000 1.075 1147 L CA 2.394 57.272 54.840 0.064 0.000 0.767 1147 L CB -0.756 41.412 42.059 0.182 0.000 0.890 1147 L HN 0.263 nan 8.230 nan 0.000 0.434 1148 K N -0.047 120.322 120.400 -0.053 0.000 2.044 1148 K HA -0.305 4.017 4.320 0.004 0.000 0.210 1148 K C 1.987 178.497 176.600 -0.150 0.000 1.049 1148 K CA 2.175 58.422 56.287 -0.067 0.000 0.927 1148 K CB -0.262 32.223 32.500 -0.025 0.000 0.713 1148 K HN 0.352 nan 8.250 nan 0.000 0.443 1149 E N -0.109 119.965 120.200 -0.210 0.000 2.204 1149 E HA -0.196 4.157 4.350 0.004 0.000 0.195 1149 E C 2.024 178.389 176.600 -0.392 0.000 0.990 1149 E CA 0.751 56.990 56.400 -0.269 0.000 0.821 1149 E CB 0.219 29.756 29.700 -0.272 0.000 0.750 1149 E HN 0.203 nan 8.360 nan 0.000 0.477 1150 R N -0.169 119.987 120.500 -0.574 0.000 2.066 1150 R HA -0.007 4.336 4.340 0.004 0.000 0.224 1150 R C 1.856 177.905 176.300 -0.418 0.000 1.122 1150 R CA 0.481 56.169 56.100 -0.688 0.000 0.974 1150 R CB -0.286 29.301 30.300 -1.188 0.000 0.871 1150 R HN 0.175 nan 8.270 nan 0.000 0.435 1151 L N -0.003 121.055 121.223 -0.275 0.000 2.627 1151 L HA 0.147 4.490 4.340 0.004 0.000 0.233 1151 L C 1.471 178.289 176.870 -0.087 0.000 1.144 1151 L CA 0.876 55.644 54.840 -0.121 0.000 0.892 1151 L CB -0.280 41.758 42.059 -0.036 0.000 1.039 1151 L HN 0.110 nan 8.230 nan 0.000 0.442 1152 M N -1.947 117.583 119.600 -0.117 0.000 2.144 1152 M HA 0.097 4.580 4.480 0.004 0.000 0.178 1152 M C 1.501 177.750 176.300 -0.084 0.000 1.932 1152 M CA 0.287 55.543 55.300 -0.073 0.000 1.017 1152 M CB -0.013 32.554 32.600 -0.056 0.000 1.497 1152 M HN -0.015 nan 8.290 nan 0.000 0.614 1153 E N 1.440 121.575 120.200 -0.109 0.000 2.284 1153 E HA -0.053 4.300 4.350 0.004 0.000 0.200 1153 E C 0.305 176.841 176.600 -0.106 0.000 1.008 1153 E CA 0.864 57.200 56.400 -0.107 0.000 0.829 1153 E CB -0.058 29.572 29.700 -0.117 0.000 0.744 1153 E HN 0.352 nan 8.360 nan 0.000 0.491 1154 A N 0.944 123.686 122.820 -0.129 0.000 2.311 1154 A HA 0.558 4.880 4.320 0.004 0.000 0.306 1154 A C 0.115 177.641 177.584 -0.096 0.000 1.189 1154 A CA 0.056 52.022 52.037 -0.119 0.000 0.791 1154 A CB 0.757 19.657 19.000 -0.166 0.000 1.172 1154 A HN 0.219 nan 8.150 nan 0.000 0.481 1155 S N 2.258 117.922 115.700 -0.060 0.000 3.864 1155 S HA -0.172 4.301 4.470 0.004 0.000 0.633 1155 S C -0.532 174.057 174.600 -0.018 0.000 2.048 1155 S CA 0.350 58.530 58.200 -0.033 0.000 2.651 1155 S CB -1.765 61.418 63.200 -0.028 0.000 0.315 1155 S HN 1.044 nan 8.310 nan 0.000 1.413 1156 D N 2.928 123.335 120.400 0.010 0.000 2.752 1156 D HA 0.443 5.086 4.640 0.004 0.000 0.225 1156 D C 0.284 176.614 176.300 0.050 0.000 1.104 1156 D CA 1.960 55.992 54.000 0.053 0.000 0.832 1156 D CB 0.103 40.948 40.800 0.075 0.000 1.161 1156 D HN 1.469 nan 8.370 nan 0.000 0.505 1157 A N 2.525 125.399 122.820 0.090 0.000 2.500 1157 A HA 0.512 4.835 4.320 0.004 0.000 0.291 1157 A C -1.575 176.137 177.584 0.214 0.000 1.048 1157 A CA -0.774 51.315 52.037 0.087 0.000 0.791 1157 A CB 1.118 20.120 19.000 0.005 0.000 1.309 1157 A HN 0.267 nan 8.150 nan 0.000 0.397 1158 F N 2.344 122.312 119.950 0.030 0.000 2.650 1158 F HA 0.649 5.179 4.527 0.004 0.000 0.310 1158 F C -1.058 174.798 175.800 0.093 0.000 1.112 1158 F CA -0.900 57.137 58.000 0.060 0.000 0.986 1158 F CB 1.491 40.578 39.000 0.145 0.000 1.285 1158 F HN 0.650 nan 8.300 nan 0.000 0.440 1159 R N 4.939 125.374 120.500 -0.109 0.000 2.338 1159 R HA 0.747 5.090 4.340 0.004 0.000 0.317 1159 R C -2.034 173.779 176.300 -0.812 0.000 0.968 1159 R CA -0.310 55.621 56.100 -0.282 0.000 0.849 1159 R CB 1.405 31.689 30.300 -0.026 0.000 1.128 1159 R HN 0.562 nan 8.270 nan 0.000 0.448 1160 V N 4.367 123.859 119.914 -0.703 0.000 2.769 1160 V HA 0.400 4.523 4.120 0.004 0.000 0.312 1160 V C -0.394 175.385 176.094 -0.525 0.000 1.061 1160 V CA -0.895 61.022 62.300 -0.639 0.000 0.931 1160 V CB 2.176 33.717 31.823 -0.469 0.000 1.010 1160 V HN 0.728 nan 8.190 nan 0.000 0.433 1161 H N 3.894 122.870 119.070 -0.157 0.000 2.459 1161 H HA 0.643 5.201 4.556 0.004 0.000 0.332 1161 H C -0.707 174.544 175.328 -0.128 0.000 1.094 1161 H CA -0.203 55.751 56.048 -0.157 0.000 1.224 1161 H CB 1.834 31.497 29.762 -0.166 0.000 1.449 1161 H HN 0.439 nan 8.280 nan 0.000 0.484 1162 I N 1.210 121.773 120.570 -0.011 0.000 2.740 1162 I HA 0.133 4.306 4.170 0.004 0.000 0.303 1162 I C 0.294 176.389 176.117 -0.036 0.000 1.044 1162 I CA -0.944 60.330 61.300 -0.044 0.000 1.064 1162 I CB 2.363 40.308 38.000 -0.091 0.000 1.249 1162 I HN 0.464 nan 8.210 nan 0.000 0.433 1163 C N 3.923 123.186 119.300 -0.061 0.000 2.555 1163 C HA 0.327 4.789 4.460 0.004 0.000 0.385 1163 C C 1.751 176.721 174.990 -0.033 0.000 1.296 1163 C CA -0.298 58.692 59.018 -0.047 0.000 1.757 1163 C CB -0.785 26.927 27.740 -0.048 0.000 2.445 1163 C HN 1.038 nan 8.230 nan 0.000 0.571 1164 G N 4.892 113.726 108.800 0.057 0.000 2.843 1164 G HA2 -0.005 3.958 3.960 0.004 0.000 0.205 1164 G HA3 -0.005 3.958 3.960 0.004 0.000 0.205 1164 G C 0.920 175.886 174.900 0.110 0.000 1.160 1164 G CA 0.663 45.866 45.100 0.171 0.000 0.819 1164 G HN 0.874 nan 8.290 nan 0.000 0.516 1165 I N -0.814 119.781 120.570 0.042 0.000 4.033 1165 I HA 0.112 4.284 4.170 0.004 0.000 0.296 1165 I C 0.381 176.547 176.117 0.083 0.000 1.210 1165 I CA 0.137 61.497 61.300 0.100 0.000 1.341 1165 I CB 0.850 38.892 38.000 0.069 0.000 1.369 1165 I HN 0.210 nan 8.210 nan 0.000 0.453 1166 C N 1.439 120.718 119.300 -0.035 0.000 2.409 1166 C HA 0.647 5.110 4.460 0.004 0.000 0.297 1166 C C 1.291 176.150 174.990 -0.219 0.000 1.083 1166 C CA -1.173 57.806 59.018 -0.065 0.000 1.515 1166 C CB -0.660 27.068 27.740 -0.020 0.000 1.869 1166 C HN 0.531 nan 8.230 nan 0.000 0.413 1167 G N 3.474 111.971 108.800 -0.505 0.000 2.801 1167 G HA2 0.143 4.106 3.960 0.004 0.000 0.246 1167 G HA3 0.143 4.106 3.960 0.004 0.000 0.246 1167 G C 0.057 174.768 174.900 -0.315 0.000 0.760 1167 G CA 0.350 45.122 45.100 -0.546 0.000 1.934 1167 G HN 0.849 nan 8.290 nan 0.000 0.568 1168 L N -0.428 120.676 121.223 -0.198 0.000 2.334 1168 L HA 0.390 4.732 4.340 0.004 0.000 0.273 1168 L C 0.995 177.816 176.870 -0.082 0.000 1.013 1168 L CA -0.974 53.788 54.840 -0.131 0.000 0.816 1168 L CB 1.949 43.959 42.059 -0.082 0.000 1.278 1168 L HN 0.128 nan 8.230 nan 0.000 0.431 1169 M N 1.892 121.465 119.600 -0.044 0.000 3.700 1169 M HA 0.059 4.541 4.480 0.004 0.000 0.190 1169 M C 0.039 176.355 176.300 0.026 0.000 1.422 1169 M CA 0.241 55.540 55.300 -0.002 0.000 1.646 1169 M CB -0.903 31.717 32.600 0.034 0.000 1.154 1169 M HN 0.526 nan 8.290 nan 0.000 0.506 1170 T N -0.473 114.087 114.554 0.010 0.000 3.243 1170 T HA 0.225 4.578 4.350 0.004 0.000 0.264 1170 T C 0.304 175.024 174.700 0.034 0.000 1.000 1170 T CA -0.057 62.058 62.100 0.025 0.000 0.901 1170 T CB 0.098 68.972 68.868 0.010 0.000 1.083 1170 T HN 0.150 nan 8.240 nan 0.000 0.559 1171 V N 2.572 122.513 119.914 0.044 0.000 2.333 1171 V HA 0.362 4.484 4.120 0.004 0.000 0.274 1171 V C 0.383 176.536 176.094 0.098 0.000 1.028 1171 V CA -1.000 61.330 62.300 0.050 0.000 0.851 1171 V CB 0.911 32.734 31.823 0.001 0.000 1.000 1171 V HN 0.506 nan 8.190 nan 0.000 0.456 1172 I N 4.791 125.424 120.570 0.104 0.000 2.671 1172 I HA 0.111 4.284 4.170 0.004 0.000 0.285 1172 I C 1.026 177.242 176.117 0.166 0.000 1.148 1172 I CA 0.379 61.750 61.300 0.118 0.000 1.386 1172 I CB 0.656 38.708 38.000 0.086 0.000 1.406 1172 I HN 0.699 nan 8.210 nan 0.000 0.540 1173 A N 8.246 131.167 122.820 0.168 0.000 2.343 1173 A HA 0.316 4.639 4.320 0.004 0.000 0.305 1173 A C 0.126 177.752 177.584 0.070 0.000 1.308 1173 A CA -0.481 51.659 52.037 0.171 0.000 0.949 1173 A CB -0.124 19.019 19.000 0.239 0.000 1.148 1173 A HN 0.701 nan 8.150 nan 0.000 0.545 1174 K N 3.893 124.253 120.400 -0.067 0.000 2.499 1174 K HA 0.316 4.638 4.320 0.004 0.000 0.215 1174 K C -1.130 175.312 176.600 -0.265 0.000 1.041 1174 K CA -0.118 56.102 56.287 -0.113 0.000 1.031 1174 K CB 0.989 33.454 32.500 -0.059 0.000 1.479 1174 K HN 0.662 nan 8.250 nan 0.000 0.518 1175 L N 3.239 124.359 121.223 -0.172 0.000 2.404 1175 L HA 0.158 4.500 4.340 0.004 0.000 0.277 1175 L C 0.585 177.308 176.870 -0.244 0.000 1.184 1175 L CA -0.028 54.706 54.840 -0.176 0.000 1.013 1175 L CB -0.494 41.550 42.059 -0.024 0.000 1.318 1175 L HN 0.691 nan 8.230 nan 0.000 0.435 1176 N N -0.785 117.699 118.700 -0.359 0.000 2.482 1176 N HA -0.101 4.642 4.740 0.004 0.000 0.317 1176 N C 0.837 176.087 175.510 -0.433 0.000 1.084 1176 N CA 0.076 52.864 53.050 -0.437 0.000 1.911 1176 N CB 0.148 38.241 38.487 -0.656 0.000 2.221 1176 N HN 0.478 nan 8.380 nan 0.000 1.173 1177 H N 1.636 120.618 119.070 -0.146 0.000 2.542 1177 H HA 0.363 4.922 4.556 0.004 0.000 0.283 1177 H C 0.123 175.319 175.328 -0.220 0.000 1.059 1177 H CA -0.188 55.772 56.048 -0.146 0.000 1.162 1177 H CB 0.046 29.734 29.762 -0.124 0.000 1.539 1177 H HN 0.183 nan 8.280 nan 0.000 0.543 1178 N N 1.465 120.006 118.700 -0.266 0.000 2.627 1178 N HA -0.220 4.523 4.740 0.004 0.000 0.248 1178 N C -0.244 174.897 175.510 -0.615 0.000 1.173 1178 N CA 0.770 53.558 53.050 -0.436 0.000 0.741 1178 N CB -0.797 37.568 38.487 -0.204 0.000 1.128 1178 N HN 0.624 nan 8.380 nan 0.000 0.562 1179 Q N -0.859 118.656 119.800 -0.475 0.000 2.286 1179 Q HA 0.351 4.694 4.340 0.004 0.000 0.257 1179 Q C 0.536 176.226 176.000 -0.517 0.000 0.941 1179 Q CA 0.145 55.744 55.803 -0.340 0.000 0.912 1179 Q CB 0.607 29.277 28.738 -0.113 0.000 1.192 1179 Q HN 0.242 nan 8.270 nan 0.000 0.410 1180 F N 0.586 120.505 119.950 -0.052 0.000 2.129 1180 F HA 0.180 4.709 4.527 0.004 0.000 0.234 1180 F C -0.056 175.715 175.800 -0.049 0.000 1.092 1180 F CA -0.502 57.449 58.000 -0.082 0.000 1.242 1180 F CB 0.649 39.575 39.000 -0.122 0.000 1.604 1180 F HN 0.519 nan 8.300 nan 0.000 0.527 1181 E N -1.086 119.226 120.200 0.187 0.000 8.699 1181 E HA -0.255 4.097 4.350 0.004 0.000 0.471 1181 E C -0.745 175.896 176.600 0.069 0.000 1.169 1181 E CA 0.325 56.779 56.400 0.090 0.000 2.050 1181 E CB -0.862 28.874 29.700 0.060 0.000 1.006 1181 E HN 0.540 nan 8.360 nan 0.000 0.262 1182 C N 1.234 120.558 119.300 0.040 0.000 4.111 1182 C HA 0.201 4.664 4.460 0.004 0.000 0.443 1182 C C -0.983 174.021 174.990 0.023 0.000 1.586 1182 C CA 0.957 59.991 59.018 0.026 0.000 2.085 1182 C CB -0.553 27.192 27.740 0.010 0.000 3.126 1182 C HN 0.852 nan 8.230 nan 0.000 0.684 1183 K N 0.607 121.021 120.400 0.023 0.000 6.706 1183 K HA 0.125 4.448 4.320 0.004 0.000 0.669 1183 K C 0.797 177.406 176.600 0.016 0.000 2.465 1183 K CA 1.285 57.584 56.287 0.020 0.000 1.801 1183 K CB -1.773 30.740 32.500 0.021 0.000 1.883 1183 K HN 1.762 nan 8.250 nan 0.000 0.285 1184 G N 0.735 109.544 108.800 0.014 0.000 2.358 1184 G HA2 -0.394 3.568 3.960 0.004 0.000 0.224 1184 G HA3 -0.394 3.568 3.960 0.004 0.000 0.224 1184 G C 1.345 176.253 174.900 0.013 0.000 1.073 1184 G CA 0.188 45.296 45.100 0.013 0.000 0.635 1184 G HN 0.991 nan 8.290 nan 0.000 0.509 1185 C N 0.426 119.734 119.300 0.013 0.000 2.611 1185 C HA 0.397 4.860 4.460 0.004 0.000 0.282 1185 C C 1.136 176.135 174.990 0.015 0.000 1.321 1185 C CA 1.123 60.149 59.018 0.014 0.000 1.747 1185 C CB -0.606 27.141 27.740 0.011 0.000 2.124 1185 C HN 0.661 nan 8.230 nan 0.000 0.531 1186 D N 1.612 122.021 120.400 0.014 0.000 2.739 1186 D HA -0.118 4.524 4.640 0.004 0.000 0.240 1186 D C -0.705 175.603 176.300 0.014 0.000 1.114 1186 D CA 0.533 54.542 54.000 0.014 0.000 0.695 1186 D CB -1.477 39.331 40.800 0.013 0.000 1.078 1186 D HN 0.528 nan 8.370 nan 0.000 0.434 1187 N N 0.619 119.327 118.700 0.014 0.000 2.444 1187 N HA 0.209 4.952 4.740 0.004 0.000 0.262 1187 N C 0.871 176.393 175.510 0.020 0.000 0.974 1187 N CA -0.095 52.961 53.050 0.009 0.000 0.933 1187 N CB 1.192 39.677 38.487 -0.002 0.000 1.137 1187 N HN 0.147 nan 8.380 nan 0.000 0.498 1188 K N 2.283 122.696 120.400 0.022 0.000 2.477 1188 K HA 0.373 4.695 4.320 0.004 0.000 0.208 1188 K C 0.751 177.379 176.600 0.046 0.000 1.117 1188 K CA 0.136 56.453 56.287 0.049 0.000 1.039 1188 K CB 1.158 33.679 32.500 0.036 0.000 0.937 1188 K HN 0.432 nan 8.250 nan 0.000 0.570 1189 I N -0.761 119.810 120.570 0.002 0.000 4.399 1189 I HA 0.044 4.217 4.170 0.004 0.000 0.301 1189 I C -0.061 175.994 176.117 -0.103 0.000 1.198 1189 I CA -0.067 61.218 61.300 -0.026 0.000 1.315 1189 I CB 0.703 38.691 38.000 -0.019 0.000 1.452 1189 I HN -0.092 nan 8.210 nan 0.000 0.457 1190 D N 2.861 123.204 120.400 -0.095 0.000 2.483 1190 D HA 0.459 5.101 4.640 0.004 0.000 0.220 1190 D C -0.610 175.570 176.300 -0.201 0.000 1.173 1190 D CA 0.460 54.371 54.000 -0.148 0.000 0.964 1190 D CB 0.097 40.877 40.800 -0.034 0.000 1.046 1190 D HN 0.094 nan 8.370 nan 0.000 0.517 1191 I N 2.609 122.937 120.570 -0.404 0.000 2.722 1191 I HA 0.332 4.504 4.170 0.004 0.000 0.295 1191 I C -1.048 174.700 176.117 -0.615 0.000 1.161 1191 I CA -0.965 60.099 61.300 -0.393 0.000 1.032 1191 I CB 1.752 39.501 38.000 -0.418 0.000 1.244 1191 I HN 0.144 nan 8.210 nan 0.000 0.421 1192 Y N 2.640 122.829 120.300 -0.184 0.000 2.602 1192 Y HA 0.505 5.057 4.550 0.004 0.000 0.342 1192 Y C -0.306 175.510 175.900 -0.140 0.000 1.029 1192 Y CA -0.679 57.327 58.100 -0.157 0.000 1.080 1192 Y CB 1.870 40.248 38.460 -0.136 0.000 1.284 1192 Y HN 0.389 nan 8.280 nan 0.000 0.485 1193 Q N 3.645 123.465 119.800 0.033 0.000 2.330 1193 Q HA 0.687 5.029 4.340 0.004 0.000 0.269 1193 Q C -1.477 174.381 176.000 -0.237 0.000 1.022 1193 Q CA -0.662 55.066 55.803 -0.125 0.000 0.796 1193 Q CB 1.782 30.470 28.738 -0.084 0.000 1.271 1193 Q HN 0.794 nan 8.270 nan 0.000 0.450 1194 I N -0.610 119.770 120.570 -0.315 0.000 3.206 1194 I HA 0.585 4.757 4.170 0.004 0.000 0.313 1194 I C -1.198 174.697 176.117 -0.370 0.000 1.103 1194 I CA -1.123 59.970 61.300 -0.346 0.000 0.985 1194 I CB 2.416 40.307 38.000 -0.182 0.000 1.240 1194 I HN 0.552 nan 8.210 nan 0.000 0.464 1195 H N 3.679 122.701 119.070 -0.078 0.000 2.708 1195 H HA 0.711 5.270 4.556 0.005 0.000 0.320 1195 H C -0.750 174.558 175.328 -0.033 0.000 0.991 1195 H CA -0.538 55.472 56.048 -0.062 0.000 1.243 1195 H CB 1.498 31.239 29.762 -0.036 0.000 1.446 1195 H HN 0.739 nan 8.280 nan 0.000 0.502 1196 I N 0.087 120.719 120.570 0.103 0.000 3.006 1196 I HA 0.567 4.739 4.170 0.004 0.000 0.306 1196 I C -2.923 173.259 176.117 0.109 0.000 1.250 1196 I CA -2.741 58.603 61.300 0.073 0.000 0.996 1196 I CB 3.326 41.353 38.000 0.044 0.000 1.261 1196 I HN 0.113 nan 8.210 nan 0.000 0.442 1197 P HA -0.044 nan 4.420 nan 0.000 0.267 1197 P C -0.009 177.375 177.300 0.140 0.000 1.209 1197 P CA 0.286 63.438 63.100 0.088 0.000 0.763 1197 P CB 0.489 32.197 31.700 0.012 0.000 0.816 1198 Y N 5.561 125.935 120.300 0.123 0.000 2.102 1198 Y HA -0.335 4.218 4.550 0.005 0.000 0.280 1198 Y C 2.458 178.382 175.900 0.040 0.000 1.178 1198 Y CA 2.612 60.800 58.100 0.146 0.000 1.146 1198 Y CB -1.182 37.256 38.460 -0.037 0.000 0.968 1198 Y HN 0.489 nan 8.280 nan 0.000 0.504 1199 A N 0.245 123.021 122.820 -0.073 0.000 1.986 1199 A HA -0.199 4.124 4.320 0.004 0.000 0.220 1199 A C 2.456 179.877 177.584 -0.272 0.000 1.171 1199 A CA 2.291 54.216 52.037 -0.186 0.000 0.640 1199 A CB -1.523 17.436 19.000 -0.069 0.000 0.811 1199 A HN 0.668 nan 8.150 nan 0.000 0.451 1200 A N -0.109 122.554 122.820 -0.263 0.000 1.841 1200 A HA -0.132 4.191 4.320 0.004 0.000 0.214 1200 A C 2.149 179.405 177.584 -0.546 0.000 1.195 1200 A CA 1.915 53.665 52.037 -0.479 0.000 0.611 1200 A CB -0.550 18.185 19.000 -0.443 0.000 0.835 1200 A HN 0.416 nan 8.150 nan 0.000 0.443 1201 K N 0.056 120.297 120.400 -0.264 0.000 2.144 1201 K HA -0.196 4.126 4.320 0.004 0.000 0.209 1201 K C 1.873 178.392 176.600 -0.135 0.000 1.047 1201 K CA 1.900 58.153 56.287 -0.057 0.000 0.927 1201 K CB -0.532 32.080 32.500 0.187 0.000 0.716 1201 K HN 0.518 nan 8.250 nan 0.000 0.454 1202 L N 0.566 121.575 121.223 -0.356 0.000 2.072 1202 L HA -0.189 4.154 4.340 0.004 0.000 0.205 1202 L C 2.639 179.419 176.870 -0.150 0.000 1.079 1202 L CA 0.647 55.305 54.840 -0.303 0.000 0.752 1202 L CB -0.356 41.443 42.059 -0.434 0.000 0.906 1202 L HN 0.208 nan 8.230 nan 0.000 0.436 1203 L N -0.348 120.754 121.223 -0.202 0.000 1.970 1203 L HA -0.258 4.085 4.340 0.004 0.000 0.212 1203 L C 2.276 179.178 176.870 0.054 0.000 1.071 1203 L CA 1.925 56.694 54.840 -0.119 0.000 0.751 1203 L CB -0.826 41.093 42.059 -0.233 0.000 0.889 1203 L HN 0.068 nan 8.230 nan 0.000 0.432 1204 F N -0.174 119.749 119.950 -0.045 0.000 2.015 1204 F HA -0.377 4.153 4.527 0.005 0.000 0.297 1204 F C 2.695 178.478 175.800 -0.027 0.000 1.141 1204 F CA 1.559 59.539 58.000 -0.033 0.000 1.192 1204 F CB -0.669 38.309 39.000 -0.036 0.000 0.957 1204 F HN 0.226 nan 8.300 nan 0.000 0.491 1205 Q N 0.251 120.163 119.800 0.188 0.000 2.096 1205 Q HA -0.284 4.059 4.340 0.004 0.000 0.208 1205 Q C 1.942 177.983 176.000 0.067 0.000 0.993 1205 Q CA 2.059 57.921 55.803 0.098 0.000 0.862 1205 Q CB -0.501 28.279 28.738 0.071 0.000 0.915 1205 Q HN 0.561 nan 8.270 nan 0.000 0.416 1206 E N 0.595 120.824 120.200 0.050 0.000 2.085 1206 E HA -0.175 4.178 4.350 0.004 0.000 0.194 1206 E C 2.089 178.717 176.600 0.046 0.000 0.994 1206 E CA 0.828 57.248 56.400 0.033 0.000 0.801 1206 E CB -0.068 29.638 29.700 0.010 0.000 0.743 1206 E HN 0.296 nan 8.360 nan 0.000 0.453 1207 L N 0.057 121.323 121.223 0.073 0.000 1.970 1207 L HA -0.265 4.077 4.340 0.004 0.000 0.212 1207 L C 2.594 179.492 176.870 0.046 0.000 1.071 1207 L CA 1.362 56.243 54.840 0.068 0.000 0.751 1207 L CB -0.402 41.719 42.059 0.104 0.000 0.889 1207 L HN 0.282 nan 8.230 nan 0.000 0.432 1208 M N -0.527 119.101 119.600 0.046 0.000 2.108 1208 M HA -0.253 4.229 4.480 0.004 0.000 0.257 1208 M C 2.303 178.620 176.300 0.027 0.000 1.071 1208 M CA 2.085 57.402 55.300 0.028 0.000 1.093 1208 M CB -0.614 32.002 32.600 0.027 0.000 1.345 1208 M HN 0.329 nan 8.290 nan 0.000 0.403 1209 A N -0.554 122.285 122.820 0.032 0.000 2.186 1209 A HA -0.088 4.235 4.320 0.004 0.000 0.219 1209 A C 1.872 179.470 177.584 0.024 0.000 1.159 1209 A CA 1.240 53.294 52.037 0.028 0.000 0.680 1209 A CB -0.626 18.391 19.000 0.029 0.000 0.787 1209 A HN 0.550 nan 8.150 nan 0.000 0.467 1210 M N -1.250 118.364 119.600 0.024 0.000 2.484 1210 M HA 0.135 4.617 4.480 0.004 0.000 0.307 1210 M C 0.813 177.124 176.300 0.018 0.000 1.149 1210 M CA 0.003 55.315 55.300 0.021 0.000 0.972 1210 M CB 0.112 32.726 32.600 0.023 0.000 1.400 1210 M HN 0.623 nan 8.290 nan 0.000 0.508 1211 N N 1.032 119.743 118.700 0.018 0.000 2.967 1211 N HA -0.177 4.566 4.740 0.004 0.000 0.218 1211 N C -0.221 175.295 175.510 0.011 0.000 0.870 1211 N CA 0.710 53.769 53.050 0.014 0.000 1.030 1211 N CB -0.834 37.660 38.487 0.013 0.000 1.027 1211 N HN 0.390 nan 8.380 nan 0.000 0.603 1212 I N 2.004 122.582 120.570 0.013 0.000 2.696 1212 I HA 0.041 4.213 4.170 0.004 0.000 0.284 1212 I C 1.003 177.119 176.117 -0.002 0.000 1.129 1212 I CA 0.530 61.835 61.300 0.009 0.000 1.410 1212 I CB 0.975 38.986 38.000 0.017 0.000 1.399 1212 I HN 0.183 nan 8.210 nan 0.000 0.579 1213 T N 2.947 117.493 114.554 -0.014 0.000 2.801 1213 T HA 0.414 4.766 4.350 0.004 0.000 0.306 1213 T C -2.114 172.539 174.700 -0.077 0.000 1.020 1213 T CA -1.711 60.366 62.100 -0.038 0.000 0.948 1213 T CB 1.040 69.893 68.868 -0.025 0.000 0.962 1213 T HN 0.425 nan 8.240 nan 0.000 0.465 1214 P HA 0.266 nan 4.420 nan 0.000 0.226 1214 P C -0.397 176.687 177.300 -0.360 0.000 1.832 1214 P CA -0.676 62.239 63.100 -0.309 0.000 1.092 1214 P CB 0.259 31.658 31.700 -0.501 0.000 1.873 1215 R N 2.994 123.375 120.500 -0.198 0.000 2.343 1215 R HA 0.293 4.636 4.340 0.004 0.000 0.326 1215 R C 0.268 176.428 176.300 -0.232 0.000 1.055 1215 R CA -0.293 55.701 56.100 -0.176 0.000 0.961 1215 R CB 0.310 30.673 30.300 0.105 0.000 0.978 1215 R HN 0.475 nan 8.270 nan 0.000 0.443 1216 L N 4.612 125.579 121.223 -0.427 0.000 2.282 1216 L HA 0.436 4.778 4.340 0.004 0.000 0.288 1216 L C -0.514 176.038 176.870 -0.530 0.000 1.033 1216 L CA -0.754 53.879 54.840 -0.346 0.000 0.807 1216 L CB 0.481 42.359 42.059 -0.301 0.000 1.209 1216 L HN 0.400 nan 8.230 nan 0.000 0.423 1217 Y N -0.273 119.935 120.300 -0.152 0.000 2.446 1217 Y HA 0.233 4.786 4.550 0.004 0.000 0.345 1217 Y C 1.117 176.890 175.900 -0.212 0.000 0.984 1217 Y CA -0.873 57.124 58.100 -0.172 0.000 1.058 1217 Y CB 2.177 40.552 38.460 -0.142 0.000 1.220 1217 Y HN 0.583 nan 8.280 nan 0.000 0.455 1218 T N -2.690 111.747 114.554 -0.195 0.000 3.235 1218 T HA 0.190 4.542 4.350 0.004 0.000 0.251 1218 T C -0.787 173.809 174.700 -0.174 0.000 1.060 1218 T CA -0.260 61.673 62.100 -0.278 0.000 0.949 1218 T CB -1.019 67.482 68.868 -0.611 0.000 1.020 1218 T HN 0.576 nan 8.240 nan 0.000 0.564 1219 D N -0.366 119.984 120.400 -0.083 0.000 2.602 1219 D HA 0.315 4.958 4.640 0.004 0.000 0.245 1219 D C 0.918 177.185 176.300 -0.055 0.000 1.325 1219 D CA -1.012 52.950 54.000 -0.063 0.000 0.952 1219 D CB 1.192 41.962 40.800 -0.051 0.000 1.317 1219 D HN -0.160 nan 8.370 nan 0.000 0.577 1220 R N 0.884 121.355 120.500 -0.049 0.000 2.200 1220 R HA -0.066 4.276 4.340 0.004 0.000 0.234 1220 R C 0.539 176.802 176.300 -0.060 0.000 1.127 1220 R CA 0.845 56.915 56.100 -0.050 0.000 0.989 1220 R CB -0.433 29.847 30.300 -0.034 0.000 0.869 1220 R HN 0.577 nan 8.270 nan 0.000 0.459 1221 S N 2.068 117.738 115.700 -0.050 0.000 3.829 1221 S HA 0.088 4.560 4.470 0.004 0.000 0.250 1221 S C 0.421 174.976 174.600 -0.074 0.000 1.263 1221 S CA -0.511 57.663 58.200 -0.043 0.000 0.955 1221 S CB -0.010 63.177 63.200 -0.022 0.000 1.611 1221 S HN 0.180 nan 8.310 nan 0.000 0.483 1222 R N 1.466 121.892 120.500 -0.122 0.000 2.740 1222 R HA -0.052 4.291 4.340 0.004 0.000 0.263 1222 R C 0.360 176.576 176.300 -0.141 0.000 0.997 1222 R CA 0.303 56.274 56.100 -0.215 0.000 1.108 1222 R CB 0.178 30.267 30.300 -0.352 0.000 0.969 1222 R HN 0.521 nan 8.270 nan 0.000 0.431 1223 D N 2.884 123.187 120.400 -0.161 0.000 2.354 1223 D HA -0.171 4.472 4.640 0.004 0.000 0.216 1223 D C 0.541 176.919 176.300 0.131 0.000 0.970 1223 D CA 0.933 54.915 54.000 -0.031 0.000 0.905 1223 D CB -0.077 40.697 40.800 -0.044 0.000 0.903 1223 D HN 0.366 nan 8.370 nan 0.000 0.508 1224 F N 0.000 119.920 119.950 -0.049 0.000 2.286 1224 F HA 0.000 4.530 4.527 0.004 0.000 0.279 1224 F CA 0.000 57.978 58.000 -0.037 0.000 1.383 1224 F CB 0.000 38.978 39.000 -0.036 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574