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 2e2h_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXX ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXKVFIGR DATA SEQUENCE LPIMLRSKNC YLSEATESDL YKLKECPFDM GGYFIINGSE KVLIAQERSA DATA SEQUENCE GNIVQVFKKA APSPISHVAE IRSALEKGSX XISTLQVKLY 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 ALATGNWGEQ DATA SEQUENCE KKAMSSRAGV 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 LEPAEXXXXX DATA SEQUENCE XXDVDPAKRI RVSXXATTFT 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 XXXXXRDAST 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 RSRD 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 0.000 176.274 176.300 -0.043 0.000 2.045 20 D CA 0.000 53.983 54.000 -0.029 0.000 0.868 20 D CB 0.000 40.786 40.800 -0.023 0.000 0.688 21 E N -0.069 120.098 120.200 -0.055 0.000 2.070 21 E HA -0.146 4.208 4.350 0.007 0.000 0.197 21 E C 0.336 176.873 176.600 -0.104 0.000 1.004 21 E CA 0.841 57.190 56.400 -0.084 0.000 0.805 21 E CB -0.022 29.626 29.700 -0.087 0.000 0.744 21 E HN 0.057 nan 8.360 nan 0.000 0.451 22 S N 0.279 115.933 115.700 -0.077 0.000 2.422 22 S HA 0.593 5.067 4.470 0.007 0.000 0.298 22 S C -0.823 173.747 174.600 -0.049 0.000 1.118 22 S CA -0.065 58.092 58.200 -0.072 0.000 1.083 22 S CB 1.054 64.223 63.200 -0.052 0.000 0.971 22 S HN 0.528 nan 8.310 nan 0.000 0.478 23 A N 6.018 128.809 122.820 -0.049 0.000 2.594 23 A HA 0.738 5.062 4.320 0.007 0.000 0.296 23 A C -3.137 174.428 177.584 -0.030 0.000 1.056 23 A CA -1.328 50.690 52.037 -0.031 0.000 0.693 23 A CB 1.105 20.090 19.000 -0.025 0.000 1.278 23 A HN 0.577 nan 8.150 nan 0.000 0.408 24 P HA 0.306 nan 4.420 nan 0.000 0.269 24 P C -0.264 177.017 177.300 -0.031 0.000 1.209 24 P CA 0.170 63.250 63.100 -0.032 0.000 0.776 24 P CB 0.504 32.194 31.700 -0.017 0.000 0.876 25 I N 1.535 122.069 120.570 -0.059 0.000 2.696 25 I HA 0.070 4.244 4.170 0.007 0.000 0.284 25 I C 1.617 177.718 176.117 -0.028 0.000 1.129 25 I CA 0.418 61.682 61.300 -0.060 0.000 1.410 25 I CB 0.801 38.707 38.000 -0.157 0.000 1.399 25 I HN 0.480 nan 8.210 nan 0.000 0.579 26 T N 1.910 116.471 114.554 0.011 0.000 2.876 26 T HA 0.560 4.914 4.350 0.007 0.000 0.277 26 T C 0.969 175.711 174.700 0.071 0.000 0.997 26 T CA -0.136 61.988 62.100 0.040 0.000 0.966 26 T CB 1.383 70.284 68.868 0.055 0.000 1.312 26 T HN 0.582 nan 8.240 nan 0.000 0.598 27 A N 0.534 123.414 122.820 0.100 0.000 1.837 27 A HA -0.106 4.218 4.320 0.007 0.000 0.216 27 A C 2.263 179.969 177.584 0.205 0.000 1.210 27 A CA 1.734 53.863 52.037 0.153 0.000 0.632 27 A CB -1.452 17.644 19.000 0.161 0.000 0.843 27 A HN 0.934 nan 8.150 nan 0.000 0.448 28 E N -0.075 120.249 120.200 0.208 0.000 2.147 28 E HA -0.230 4.124 4.350 0.007 0.000 0.199 28 E C 1.467 178.229 176.600 0.270 0.000 1.005 28 E CA 1.483 58.040 56.400 0.262 0.000 0.810 28 E CB -0.471 29.334 29.700 0.174 0.000 0.736 28 E HN 0.517 nan 8.360 nan 0.000 0.460 29 D N -0.011 120.500 120.400 0.185 0.000 2.357 29 D HA -0.125 4.519 4.640 0.007 0.000 0.216 29 D C 1.995 178.422 176.300 0.213 0.000 0.973 29 D CA 1.103 55.203 54.000 0.168 0.000 0.912 29 D CB -0.093 40.766 40.800 0.098 0.000 0.900 29 D HN 0.208 nan 8.370 nan 0.000 0.501 30 S N -0.555 115.275 115.700 0.217 0.000 2.345 30 S HA -0.189 4.285 4.470 0.007 0.000 0.220 30 S C 1.958 176.644 174.600 0.144 0.000 1.031 30 S CA 0.468 58.797 58.200 0.215 0.000 0.996 30 S CB -1.159 62.089 63.200 0.080 0.000 0.882 30 S HN 0.350 nan 8.310 nan 0.000 0.445 31 W N 2.522 123.911 121.300 0.147 0.000 2.389 31 W HA 0.083 4.748 4.660 0.007 0.000 0.267 31 W C 2.781 179.425 176.519 0.209 0.000 1.219 31 W CA 0.622 58.043 57.345 0.127 0.000 1.189 31 W CB -0.511 28.997 29.460 0.079 0.000 1.129 31 W HN 0.501 nan 8.180 nan 0.000 0.581 32 A N -0.018 123.040 122.820 0.396 0.000 1.851 32 A HA -0.232 4.092 4.320 0.007 0.000 0.216 32 A C 1.993 179.791 177.584 0.357 0.000 1.195 32 A CA 2.492 54.738 52.037 0.349 0.000 0.622 32 A CB -1.155 18.023 19.000 0.295 0.000 0.831 32 A HN 0.089 nan 8.150 nan 0.000 0.444 33 V N 0.857 120.975 119.914 0.339 0.000 2.490 33 V HA -0.238 3.886 4.120 0.007 0.000 0.250 33 V C 2.421 178.671 176.094 0.259 0.000 1.061 33 V CA 1.533 64.041 62.300 0.347 0.000 1.064 33 V CB -0.841 31.183 31.823 0.336 0.000 0.670 33 V HN 0.498 nan 8.190 nan 0.000 0.461 34 I N 0.298 120.956 120.570 0.147 0.000 2.076 34 I HA -0.228 3.946 4.170 0.007 0.000 0.237 34 I C 2.622 179.018 176.117 0.466 0.000 1.059 34 I CA 1.856 63.214 61.300 0.096 0.000 1.317 34 I CB -1.388 36.597 38.000 -0.025 0.000 1.037 34 I HN 0.290 nan 8.210 nan 0.000 0.398 35 S N 0.548 116.643 115.700 0.657 0.000 2.402 35 S HA -0.150 4.324 4.470 0.007 0.000 0.233 35 S C 2.128 177.018 174.600 0.483 0.000 1.030 35 S CA 1.382 60.019 58.200 0.730 0.000 1.003 35 S CB -0.250 63.249 63.200 0.499 0.000 0.813 35 S HN 0.569 nan 8.310 nan 0.000 0.477 36 A N 0.442 123.507 122.820 0.409 0.000 1.897 36 A HA 0.146 4.470 4.320 0.007 0.000 0.215 36 A C 0.921 178.690 177.584 0.307 0.000 1.181 36 A CA 0.484 52.738 52.037 0.363 0.000 0.620 36 A CB -0.514 18.736 19.000 0.417 0.000 0.821 36 A HN 0.444 nan 8.150 nan 0.000 0.443 37 F N -1.860 118.090 119.950 -0.001 0.000 2.527 37 F HA 0.294 4.826 4.527 0.007 0.000 0.316 37 F C 1.045 176.749 175.800 -0.159 0.000 1.258 37 F CA 1.166 58.865 58.000 -0.503 0.000 1.314 37 F CB 0.088 38.399 39.000 -1.149 0.000 1.200 37 F HN 0.395 nan 8.300 nan 0.000 0.577 38 F N -1.291 118.382 119.950 -0.460 0.000 2.568 38 F HA -0.428 4.103 4.527 0.007 0.000 0.650 38 F C 1.962 177.686 175.800 -0.127 0.000 0.492 38 F CA 1.554 59.468 58.000 -0.144 0.000 0.801 38 F CB -1.137 37.994 39.000 0.218 0.000 1.661 38 F HN 0.437 nan 8.300 nan 0.000 0.261 39 R N 0.272 120.842 120.500 0.117 0.000 2.120 39 R HA -0.154 4.190 4.340 0.007 0.000 0.234 39 R C 1.775 178.075 176.300 0.001 0.000 1.123 39 R CA 1.862 58.009 56.100 0.078 0.000 0.975 39 R CB -0.321 30.049 30.300 0.117 0.000 0.866 39 R HN 0.589 nan 8.270 nan 0.000 0.446 40 E N -0.187 119.957 120.200 -0.093 0.000 2.340 40 E HA 0.005 4.359 4.350 0.007 0.000 0.198 40 E C 1.534 178.032 176.600 -0.170 0.000 0.961 40 E CA 0.081 56.428 56.400 -0.089 0.000 0.905 40 E CB 0.535 30.226 29.700 -0.015 0.000 0.884 40 E HN 0.017 nan 8.360 nan 0.000 0.491 41 K N -0.150 120.021 120.400 -0.382 0.000 2.141 41 K HA 0.168 4.492 4.320 0.007 0.000 0.202 41 K C 1.174 177.689 176.600 -0.141 0.000 1.045 41 K CA 0.996 57.063 56.287 -0.366 0.000 0.971 41 K CB 0.554 32.565 32.500 -0.816 0.000 0.795 41 K HN 0.238 nan 8.250 nan 0.000 0.459 42 G N 0.741 109.511 108.800 -0.050 0.000 2.496 42 G HA2 -0.286 3.678 3.960 0.007 0.000 0.243 42 G HA3 -0.286 3.678 3.960 0.007 0.000 0.243 42 G C 0.386 175.422 174.900 0.228 0.000 1.176 42 G CA 0.057 45.222 45.100 0.108 0.000 0.940 42 G HN 0.179 nan 8.290 nan 0.000 0.573 43 L N -0.009 121.306 121.223 0.154 0.000 3.076 43 L HA 0.317 4.661 4.340 0.007 0.000 0.271 43 L C 1.520 178.449 176.870 0.098 0.000 1.152 43 L CA 0.822 55.761 54.840 0.165 0.000 0.996 43 L CB 1.219 43.348 42.059 0.117 0.000 1.453 43 L HN 0.831 nan 8.230 nan 0.000 0.571 44 V N -3.388 116.568 119.914 0.070 0.000 2.887 44 V HA 0.217 4.342 4.120 0.007 0.000 0.370 44 V C 1.532 177.651 176.094 0.042 0.000 1.322 44 V CA 0.296 62.626 62.300 0.051 0.000 1.267 44 V CB -0.162 31.688 31.823 0.046 0.000 1.344 44 V HN 0.293 nan 8.190 nan 0.000 0.573 45 S N 1.130 116.851 115.700 0.035 0.000 2.474 45 S HA -0.222 4.252 4.470 0.007 0.000 0.235 45 S C 1.732 176.350 174.600 0.031 0.000 0.997 45 S CA 1.361 59.573 58.200 0.021 0.000 0.949 45 S CB -0.194 62.995 63.200 -0.019 0.000 0.766 45 S HN 0.779 nan 8.310 nan 0.000 0.517 46 Q N 0.970 120.782 119.800 0.021 0.000 2.165 46 Q HA 0.200 4.544 4.340 0.007 0.000 0.197 46 Q C 2.135 178.167 176.000 0.053 0.000 0.952 46 Q CA 0.771 56.585 55.803 0.019 0.000 0.848 46 Q CB -0.685 28.040 28.738 -0.021 0.000 0.931 46 Q HN 0.348 nan 8.270 nan 0.000 0.470 47 Q N 0.399 120.233 119.800 0.057 0.000 2.046 47 Q HA 0.006 4.350 4.340 0.007 0.000 0.200 47 Q C 2.178 178.243 176.000 0.108 0.000 0.975 47 Q CA 1.104 56.956 55.803 0.082 0.000 0.836 47 Q CB -0.134 28.646 28.738 0.069 0.000 0.896 47 Q HN 0.434 nan 8.270 nan 0.000 0.428 48 L N 0.564 121.837 121.223 0.084 0.000 1.948 48 L HA -0.231 4.113 4.340 0.007 0.000 0.212 48 L C 1.872 178.834 176.870 0.154 0.000 1.074 48 L CA 1.679 56.580 54.840 0.102 0.000 0.753 48 L CB -0.579 41.518 42.059 0.062 0.000 0.888 48 L HN 0.172 nan 8.230 nan 0.000 0.432 49 D N -0.895 119.573 120.400 0.114 0.000 2.271 49 D HA -0.204 4.440 4.640 0.007 0.000 0.207 49 D C 2.214 178.591 176.300 0.128 0.000 0.983 49 D CA 1.264 55.330 54.000 0.108 0.000 0.878 49 D CB -0.081 40.770 40.800 0.085 0.000 0.920 49 D HN 0.140 nan 8.370 nan 0.000 0.479 50 S N -0.940 114.851 115.700 0.152 0.000 2.383 50 S HA -0.157 4.317 4.470 0.007 0.000 0.227 50 S C 1.572 176.325 174.600 0.254 0.000 1.026 50 S CA 0.559 58.861 58.200 0.170 0.000 0.981 50 S CB -0.303 62.989 63.200 0.153 0.000 0.818 50 S HN 0.305 nan 8.310 nan 0.000 0.472 51 F N 2.340 122.380 119.950 0.149 0.000 2.512 51 F HA 0.216 4.748 4.527 0.007 0.000 0.296 51 F C 1.764 177.696 175.800 0.221 0.000 1.110 51 F CA 0.722 58.851 58.000 0.216 0.000 1.446 51 F CB -0.223 38.885 39.000 0.181 0.000 1.092 51 F HN 0.224 nan 8.300 nan 0.000 0.554 52 N N 0.141 118.947 118.700 0.177 0.000 2.207 52 N HA -0.152 4.592 4.740 0.007 0.000 0.182 52 N C 1.730 177.267 175.510 0.045 0.000 1.020 52 N CA 0.948 54.044 53.050 0.077 0.000 0.858 52 N CB -0.701 37.844 38.487 0.098 0.000 0.991 52 N HN 0.270 nan 8.380 nan 0.000 0.427 53 Q N -0.075 119.762 119.800 0.060 0.000 2.364 53 Q HA -0.018 4.326 4.340 0.007 0.000 0.209 53 Q C 1.464 177.515 176.000 0.085 0.000 0.977 53 Q CA 0.886 56.703 55.803 0.023 0.000 0.885 53 Q CB -0.298 28.448 28.738 0.014 0.000 0.941 53 Q HN 0.363 nan 8.270 nan 0.000 0.464 54 F N -1.495 118.395 119.950 -0.100 0.000 2.164 54 F HA 0.007 4.538 4.527 0.007 0.000 0.287 54 F C 1.768 177.435 175.800 -0.221 0.000 1.086 54 F CA 0.862 58.769 58.000 -0.155 0.000 1.249 54 F CB -0.478 38.406 39.000 -0.193 0.000 1.059 54 F HN -0.091 nan 8.300 nan 0.000 0.490 55 V N 0.895 120.581 119.914 -0.380 0.000 2.255 55 V HA -0.303 3.821 4.120 0.007 0.000 0.247 55 V C 1.939 177.863 176.094 -0.284 0.000 1.051 55 V CA 2.408 64.452 62.300 -0.428 0.000 1.018 55 V CB -0.687 30.952 31.823 -0.308 0.000 0.641 55 V HN 0.298 nan 8.190 nan 0.000 0.445 56 D N -2.147 118.196 120.400 -0.095 0.000 2.224 56 D HA -0.085 4.559 4.640 0.007 0.000 0.205 56 D C 1.573 177.859 176.300 -0.024 0.000 0.965 56 D CA 1.376 55.385 54.000 0.015 0.000 0.852 56 D CB 0.083 41.019 40.800 0.226 0.000 0.947 56 D HN 0.580 nan 8.370 nan 0.000 0.494 57 Y N -0.674 119.516 120.300 -0.183 0.000 3.012 57 Y HA 0.068 4.622 4.550 0.007 0.000 0.236 57 Y C 2.386 178.167 175.900 -0.199 0.000 1.017 57 Y CA 0.410 58.421 58.100 -0.149 0.000 1.364 57 Y CB -0.335 38.074 38.460 -0.085 0.000 1.491 57 Y HN -0.197 nan 8.280 nan 0.000 0.435 58 T N 1.578 116.104 114.554 -0.048 0.000 2.652 58 T HA -0.194 4.160 4.350 0.007 0.000 0.267 58 T C 1.844 176.331 174.700 -0.355 0.000 1.039 58 T CA 1.760 63.772 62.100 -0.147 0.000 1.153 58 T CB -0.666 68.165 68.868 -0.061 0.000 0.863 58 T HN 0.063 nan 8.240 nan 0.000 0.428 59 L N 1.285 122.113 121.223 -0.658 0.000 2.191 59 L HA -0.006 4.338 4.340 0.007 0.000 0.212 59 L C 2.438 179.001 176.870 -0.512 0.000 1.103 59 L CA 1.543 55.913 54.840 -0.783 0.000 0.769 59 L CB -0.850 40.603 42.059 -1.010 0.000 0.908 59 L HN 0.150 nan 8.230 nan 0.000 0.438 60 Q N -0.479 119.101 119.800 -0.367 0.000 2.170 60 Q HA -0.186 4.158 4.340 0.007 0.000 0.203 60 Q C 1.507 177.381 176.000 -0.211 0.000 0.976 60 Q CA 2.035 57.675 55.803 -0.272 0.000 0.858 60 Q CB -0.098 28.499 28.738 -0.236 0.000 0.907 60 Q HN 0.563 nan 8.270 nan 0.000 0.433 61 D N -0.746 119.543 120.400 -0.184 0.000 2.277 61 D HA 0.029 4.673 4.640 0.007 0.000 0.209 61 D C 1.658 177.897 176.300 -0.101 0.000 0.970 61 D CA 0.660 54.596 54.000 -0.106 0.000 0.874 61 D CB -0.052 40.715 40.800 -0.054 0.000 0.982 61 D HN 0.388 nan 8.370 nan 0.000 0.504 62 I N 0.318 120.789 120.570 -0.164 0.000 2.700 62 I HA -0.159 4.015 4.170 0.007 0.000 0.261 62 I C 1.764 177.706 176.117 -0.290 0.000 1.219 62 I CA 0.583 61.802 61.300 -0.136 0.000 1.463 62 I CB -0.063 37.873 38.000 -0.107 0.000 1.092 62 I HN -0.110 nan 8.210 nan 0.000 0.452 63 I N -0.521 119.815 120.570 -0.390 0.000 2.703 63 I HA -0.123 4.052 4.170 0.007 0.000 0.259 63 I C 2.376 178.473 176.117 -0.033 0.000 1.151 63 I CA 0.886 61.955 61.300 -0.385 0.000 1.470 63 I CB -0.151 37.602 38.000 -0.410 0.000 1.112 63 I HN 0.277 nan 8.210 nan 0.000 0.437 64 C N 0.187 119.467 119.300 -0.033 0.000 2.667 64 C HA -0.067 4.398 4.460 0.007 0.000 0.287 64 C C 1.422 176.461 174.990 0.081 0.000 1.256 64 C CA 0.356 59.392 59.018 0.030 0.000 1.738 64 C CB -0.740 26.994 27.740 -0.010 0.000 2.113 64 C HN 0.362 nan 8.230 nan 0.000 0.470 65 E N 1.105 121.343 120.200 0.064 0.000 2.180 65 E HA 0.253 4.608 4.350 0.007 0.000 0.283 65 E C 0.278 176.941 176.600 0.105 0.000 1.061 65 E CA 0.760 57.206 56.400 0.077 0.000 0.861 65 E CB 0.113 29.846 29.700 0.055 0.000 1.056 65 E HN 0.645 nan 8.360 nan 0.000 0.407 66 D N 1.727 122.197 120.400 0.117 0.000 4.094 66 D HA -0.238 4.406 4.640 0.007 0.000 0.115 66 D C 0.899 177.297 176.300 0.163 0.000 0.478 66 D CA 1.069 55.137 54.000 0.114 0.000 0.651 66 D CB -1.839 39.025 40.800 0.106 0.000 1.559 66 D HN 0.413 nan 8.370 nan 0.000 0.251 67 S N 0.542 116.394 115.700 0.253 0.000 2.365 67 S HA -0.142 4.332 4.470 0.007 0.000 0.225 67 S C 1.392 176.174 174.600 0.303 0.000 1.039 67 S CA 1.998 60.470 58.200 0.453 0.000 1.033 67 S CB -1.324 62.193 63.200 0.527 0.000 0.887 67 S HN 0.892 nan 8.310 nan 0.000 0.447 68 T N 1.959 116.617 114.554 0.174 0.000 2.866 68 T HA 0.300 4.654 4.350 0.007 0.000 0.293 68 T C 0.038 174.806 174.700 0.114 0.000 1.005 68 T CA 0.073 62.238 62.100 0.108 0.000 1.162 68 T CB -0.424 68.492 68.868 0.079 0.000 0.968 68 T HN 0.392 nan 8.240 nan 0.000 0.530 69 L N 3.983 125.275 121.223 0.115 0.000 3.055 69 L HA 0.645 4.989 4.340 0.007 0.000 0.230 69 L C 0.028 177.008 176.870 0.183 0.000 2.033 69 L CA -1.461 53.496 54.840 0.195 0.000 2.253 69 L CB 0.460 42.677 42.059 0.263 0.000 2.286 69 L HN 0.436 nan 8.230 nan 0.000 0.575 91 S N 4.414 119.947 115.700 -0.278 0.000 2.720 91 S HA 0.707 5.181 4.470 0.007 0.000 0.278 91 S C -0.935 173.540 174.600 -0.208 0.000 1.172 91 S CA -0.695 57.400 58.200 -0.175 0.000 1.019 91 S CB 1.146 64.323 63.200 -0.038 0.000 1.049 91 S HN 0.308 nan 8.310 nan 0.000 0.483 92 F N 2.014 121.998 119.950 0.058 0.000 2.443 92 F HA 0.625 5.156 4.527 0.007 0.000 0.353 92 F C 1.514 177.322 175.800 0.014 0.000 1.101 92 F CA 0.219 58.251 58.000 0.054 0.000 1.226 92 F CB 0.936 40.007 39.000 0.117 0.000 1.140 92 F HN 0.834 nan 8.300 nan 0.000 0.557 93 G N 1.756 110.643 108.800 0.145 0.000 2.710 93 G HA2 0.146 4.110 3.960 0.007 0.000 0.215 93 G HA3 0.146 4.110 3.960 0.007 0.000 0.215 93 G C -0.152 174.727 174.900 -0.035 0.000 1.345 93 G CA 0.007 45.129 45.100 0.036 0.000 0.812 93 G HN 0.344 nan 8.290 nan 0.000 0.606 94 K N -0.027 120.306 120.400 -0.112 0.000 2.385 94 K HA 0.600 4.924 4.320 0.007 0.000 0.248 94 K C -1.864 174.524 176.600 -0.354 0.000 0.955 94 K CA -0.809 55.324 56.287 -0.257 0.000 0.816 94 K CB 2.597 34.886 32.500 -0.352 0.000 1.250 94 K HN 0.187 nan 8.250 nan 0.000 0.434 95 I N 3.150 123.498 120.570 -0.371 0.000 2.389 95 I HA 0.315 4.489 4.170 0.007 0.000 0.288 95 I C -1.412 174.547 176.117 -0.263 0.000 0.999 95 I CA -0.699 60.428 61.300 -0.289 0.000 1.129 95 I CB 0.681 38.549 38.000 -0.220 0.000 1.288 95 I HN 0.522 nan 8.210 nan 0.000 0.444 96 Y N 6.204 126.527 120.300 0.038 0.000 2.335 96 Y HA 0.507 5.061 4.550 0.007 0.000 0.339 96 Y C -0.235 175.695 175.900 0.050 0.000 0.987 96 Y CA -1.151 56.956 58.100 0.011 0.000 1.140 96 Y CB 1.607 40.058 38.460 -0.014 0.000 1.173 96 Y HN 0.170 nan 8.280 nan 0.000 0.486 97 V N 3.832 123.834 119.914 0.148 0.000 2.347 97 V HA 0.260 4.384 4.120 0.007 0.000 0.280 97 V C 0.252 176.376 176.094 0.049 0.000 1.021 97 V CA -0.877 61.486 62.300 0.104 0.000 0.847 97 V CB 1.164 33.004 31.823 0.028 0.000 0.990 97 V HN 0.909 nan 8.190 nan 0.000 0.444 98 T N 2.489 117.077 114.554 0.056 0.000 2.788 98 T HA 0.431 4.785 4.350 0.007 0.000 0.280 98 T C -0.012 174.648 174.700 -0.067 0.000 0.984 98 T CA -0.919 61.157 62.100 -0.039 0.000 0.972 98 T CB 0.847 69.678 68.868 -0.061 0.000 1.039 98 T HN 0.376 nan 8.240 nan 0.000 0.530 99 K N 1.791 122.112 120.400 -0.132 0.000 2.276 99 K HA 0.314 4.638 4.320 0.007 0.000 0.283 99 K C -2.404 174.121 176.600 -0.126 0.000 1.044 99 K CA -2.092 54.060 56.287 -0.226 0.000 0.944 99 K CB 0.235 32.524 32.500 -0.351 0.000 1.012 99 K HN 0.460 nan 8.250 nan 0.000 0.472 100 P HA -0.151 nan 4.420 nan 0.000 0.269 100 P C -0.374 176.884 177.300 -0.070 0.000 1.153 100 P CA 1.076 64.079 63.100 -0.160 0.000 0.754 100 P CB 0.364 31.881 31.700 -0.304 0.000 0.758 101 M N 1.015 120.576 119.600 -0.065 0.000 2.575 101 M HA 0.470 4.954 4.480 0.007 0.000 0.284 101 M C -1.053 175.246 176.300 -0.003 0.000 1.253 101 M CA -1.041 54.238 55.300 -0.035 0.000 0.861 101 M CB 2.880 35.472 32.600 -0.012 0.000 1.733 101 M HN -0.070 nan 8.290 nan 0.000 0.462 102 V N 1.703 121.630 119.914 0.021 0.000 2.709 102 V HA 0.439 4.563 4.120 0.007 0.000 0.308 102 V C -1.211 174.903 176.094 0.034 0.000 1.062 102 V CA -0.595 61.734 62.300 0.048 0.000 0.901 102 V CB 2.293 34.169 31.823 0.089 0.000 1.003 102 V HN 0.843 nan 8.190 nan 0.000 0.425 103 N N 3.610 122.322 118.700 0.020 0.000 2.800 103 N HA 0.262 5.007 4.740 0.007 0.000 0.240 103 N C -0.323 175.194 175.510 0.012 0.000 1.096 103 N CA -0.364 52.689 53.050 0.005 0.000 0.877 103 N CB 0.580 39.058 38.487 -0.015 0.000 1.138 103 N HN 0.560 nan 8.380 nan 0.000 0.509 104 E N 0.459 120.665 120.200 0.011 0.000 2.415 104 E HA -0.007 4.347 4.350 0.007 0.000 0.263 104 E C -0.060 176.545 176.600 0.009 0.000 0.995 104 E CA 0.113 56.516 56.400 0.005 0.000 0.915 104 E CB 0.463 30.160 29.700 -0.004 0.000 0.951 104 E HN 0.588 nan 8.360 nan 0.000 0.449 105 S N 2.542 118.249 115.700 0.012 0.000 2.481 105 S HA 0.024 4.498 4.470 0.007 0.000 0.282 105 S C 0.081 174.689 174.600 0.013 0.000 1.243 105 S CA -0.500 57.710 58.200 0.016 0.000 1.078 105 S CB 0.257 63.470 63.200 0.021 0.000 0.916 105 S HN 0.570 nan 8.310 nan 0.000 0.495 106 D N 1.435 121.843 120.400 0.013 0.000 3.278 106 D HA 0.037 4.681 4.640 0.007 0.000 0.233 106 D C 0.188 176.492 176.300 0.008 0.000 1.149 106 D CA 1.959 55.966 54.000 0.011 0.000 0.957 106 D CB -1.146 39.661 40.800 0.012 0.000 0.913 106 D HN 1.185 nan 8.370 nan 0.000 0.409 107 G N -0.878 107.926 108.800 0.007 0.000 2.349 107 G HA2 0.475 4.439 3.960 0.007 0.000 0.294 107 G HA3 0.475 4.439 3.960 0.007 0.000 0.294 107 G C -0.219 174.686 174.900 0.010 0.000 1.380 107 G CA -0.270 44.833 45.100 0.006 0.000 0.811 107 G HN 0.527 nan 8.290 nan 0.000 0.519 108 V N -0.545 119.379 119.914 0.016 0.000 3.697 108 V HA 0.452 4.576 4.120 0.007 0.000 0.285 108 V C 0.888 177.000 176.094 0.031 0.000 1.041 108 V CA -0.030 62.285 62.300 0.026 0.000 1.045 108 V CB 1.094 32.944 31.823 0.045 0.000 1.227 108 V HN 0.762 nan 8.190 nan 0.000 0.448 109 T N 0.753 115.323 114.554 0.026 0.000 3.145 109 T HA 0.252 4.606 4.350 0.007 0.000 0.362 109 T C -0.382 174.336 174.700 0.031 0.000 1.340 109 T CA -0.049 62.060 62.100 0.016 0.000 1.069 109 T CB -0.735 68.124 68.868 -0.015 0.000 1.129 109 T HN 0.755 nan 8.240 nan 0.000 0.585 110 H N 2.552 121.597 119.070 -0.042 0.000 2.668 110 H HA 0.553 5.113 4.556 0.007 0.000 0.303 110 H C 0.267 175.546 175.328 -0.082 0.000 1.074 110 H CA -0.489 55.526 56.048 -0.054 0.000 1.406 110 H CB 0.479 30.215 29.762 -0.044 0.000 1.442 110 H HN 0.654 nan 8.280 nan 0.000 0.482 111 A N 5.553 128.028 122.820 -0.574 0.000 2.491 111 A HA 0.269 4.593 4.320 0.007 0.000 0.261 111 A C -0.581 176.556 177.584 -0.745 0.000 1.101 111 A CA -0.373 51.350 52.037 -0.523 0.000 0.772 111 A CB -0.448 18.288 19.000 -0.442 0.000 1.043 111 A HN 0.681 nan 8.150 nan 0.000 0.501 112 L N 4.238 125.228 121.223 -0.388 0.000 2.282 112 L HA 0.585 4.929 4.340 0.007 0.000 0.288 112 L C -0.864 175.900 176.870 -0.177 0.000 1.033 112 L CA -0.223 54.510 54.840 -0.179 0.000 0.807 112 L CB 0.496 42.582 42.059 0.045 0.000 1.209 112 L HN 0.634 nan 8.230 nan 0.000 0.423 113 Y N 6.197 126.520 120.300 0.038 0.000 2.376 113 Y HA 0.386 4.940 4.550 0.007 0.000 0.325 113 Y C -1.266 174.723 175.900 0.149 0.000 1.199 113 Y CA -1.619 56.511 58.100 0.050 0.000 1.206 113 Y CB 0.760 39.157 38.460 -0.104 0.000 1.229 113 Y HN 0.570 nan 8.280 nan 0.000 0.480 114 P HA -0.282 nan 4.420 nan 0.000 0.215 114 P C 1.232 178.545 177.300 0.022 0.000 1.163 114 P CA 1.648 64.687 63.100 -0.101 0.000 0.894 114 P CB 0.371 31.920 31.700 -0.251 0.000 0.791 115 Q N 0.274 120.103 119.800 0.047 0.000 2.135 115 Q HA -0.193 4.151 4.340 0.007 0.000 0.204 115 Q C 2.281 178.327 176.000 0.077 0.000 0.981 115 Q CA 1.768 57.597 55.803 0.044 0.000 0.856 115 Q CB -0.880 27.868 28.738 0.018 0.000 0.902 115 Q HN 0.366 nan 8.270 nan 0.000 0.425 116 E N -1.244 119.025 120.200 0.115 0.000 2.072 116 E HA -0.166 4.188 4.350 0.007 0.000 0.191 116 E C 1.738 178.397 176.600 0.099 0.000 0.985 116 E CA 0.901 57.368 56.400 0.112 0.000 0.801 116 E CB -0.173 29.615 29.700 0.146 0.000 0.750 116 E HN 0.428 nan 8.360 nan 0.000 0.452 117 A N 1.273 124.169 122.820 0.126 0.000 1.908 117 A HA -0.188 4.137 4.320 0.007 0.000 0.218 117 A C 2.126 179.767 177.584 0.096 0.000 1.181 117 A CA 1.486 53.596 52.037 0.122 0.000 0.627 117 A CB -0.479 18.637 19.000 0.193 0.000 0.818 117 A HN 0.166 nan 8.150 nan 0.000 0.445 118 R N -0.872 119.687 120.500 0.098 0.000 2.189 118 R HA 0.071 4.415 4.340 0.007 0.000 0.223 118 R C 1.752 178.123 176.300 0.119 0.000 1.092 118 R CA 0.896 57.058 56.100 0.104 0.000 0.989 118 R CB -0.310 30.046 30.300 0.094 0.000 0.876 118 R HN 0.515 nan 8.270 nan 0.000 0.457 119 L N 0.371 121.660 121.223 0.110 0.000 2.209 119 L HA -0.027 4.317 4.340 0.007 0.000 0.207 119 L C 1.416 178.406 176.870 0.200 0.000 1.094 119 L CA 0.926 55.851 54.840 0.141 0.000 0.790 119 L CB 0.127 42.251 42.059 0.107 0.000 0.932 119 L HN 0.143 nan 8.230 nan 0.000 0.447 120 R N -1.024 119.504 120.500 0.047 0.000 2.727 120 R HA 0.241 4.585 4.340 0.007 0.000 0.410 120 R C -0.349 175.664 176.300 -0.480 0.000 1.101 120 R CA -0.316 55.620 56.100 -0.275 0.000 1.045 120 R CB -0.620 29.525 30.300 -0.259 0.000 1.380 120 R HN 0.125 nan 8.270 nan 0.000 0.587 121 N N 1.455 120.068 118.700 -0.145 0.000 2.705 121 N HA -0.193 4.551 4.740 0.007 0.000 0.255 121 N C -0.485 174.982 175.510 -0.071 0.000 1.008 121 N CA 0.533 53.549 53.050 -0.057 0.000 0.742 121 N CB -0.641 37.872 38.487 0.042 0.000 0.906 121 N HN 0.418 nan 8.380 nan 0.000 0.541 122 L N -0.787 120.426 121.223 -0.018 0.000 2.693 122 L HA 0.577 4.922 4.340 0.007 0.000 0.253 122 L C 0.731 177.657 176.870 0.093 0.000 1.155 122 L CA -0.635 54.219 54.840 0.024 0.000 1.026 122 L CB 0.909 42.983 42.059 0.025 0.000 1.817 122 L HN -0.116 nan 8.230 nan 0.000 0.556 123 T N -0.852 113.774 114.554 0.120 0.000 2.890 123 T HA 0.203 4.557 4.350 0.007 0.000 0.295 123 T C -0.917 173.907 174.700 0.206 0.000 0.993 123 T CA -0.239 61.962 62.100 0.168 0.000 0.979 123 T CB 0.543 69.501 68.868 0.149 0.000 0.967 123 T HN 0.278 nan 8.240 nan 0.000 0.441 124 Y N 4.573 124.942 120.300 0.115 0.000 2.758 124 Y HA 0.290 4.844 4.550 0.007 0.000 0.351 124 Y C 0.522 176.505 175.900 0.139 0.000 1.214 124 Y CA -0.529 57.639 58.100 0.112 0.000 1.983 124 Y CB -0.650 37.863 38.460 0.088 0.000 2.062 124 Y HN 0.541 nan 8.280 nan 0.000 0.416 125 S N 1.303 117.021 115.700 0.030 0.000 2.478 125 S HA 0.659 5.133 4.470 0.007 0.000 0.312 125 S C -0.142 174.462 174.600 0.007 0.000 1.094 125 S CA -0.631 57.610 58.200 0.068 0.000 1.081 125 S CB 1.324 64.614 63.200 0.150 0.000 1.007 125 S HN 0.516 nan 8.310 nan 0.000 0.475 126 S N 2.588 118.307 115.700 0.031 0.000 2.672 126 S HA 0.790 5.264 4.470 0.007 0.000 0.276 126 S C 0.531 175.223 174.600 0.154 0.000 1.207 126 S CA -0.536 57.691 58.200 0.045 0.000 1.002 126 S CB 0.657 63.866 63.200 0.015 0.000 0.998 126 S HN 1.213 nan 8.310 nan 0.000 0.542 127 G N 0.300 109.224 108.800 0.207 0.000 2.448 127 G HA2 0.571 4.536 3.960 0.007 0.000 0.285 127 G HA3 0.571 4.536 3.960 0.007 0.000 0.285 127 G C -1.058 174.091 174.900 0.415 0.000 1.176 127 G CA -0.873 44.434 45.100 0.344 0.000 0.852 127 G HN 0.631 nan 8.290 nan 0.000 0.530 128 L N 0.274 121.713 121.223 0.361 0.000 2.334 128 L HA 0.675 5.019 4.340 0.007 0.000 0.273 128 L C -0.849 176.184 176.870 0.271 0.000 1.013 128 L CA -0.499 54.532 54.840 0.319 0.000 0.816 128 L CB 1.841 44.006 42.059 0.176 0.000 1.278 128 L HN 0.350 nan 8.230 nan 0.000 0.431 129 F N 1.233 121.274 119.950 0.153 0.000 2.569 129 F HA 0.718 5.249 4.527 0.007 0.000 0.312 129 F C -0.482 175.374 175.800 0.094 0.000 1.109 129 F CA -0.833 57.273 58.000 0.177 0.000 0.919 129 F CB 2.270 41.412 39.000 0.236 0.000 1.211 129 F HN 0.013 nan 8.300 nan 0.000 0.446 130 V N 2.109 122.162 119.914 0.232 0.000 2.789 130 V HA 0.308 4.433 4.120 0.007 0.000 0.311 130 V C -0.832 175.362 176.094 0.167 0.000 1.073 130 V CA -1.090 61.299 62.300 0.148 0.000 0.921 130 V CB 2.378 34.308 31.823 0.179 0.000 1.009 130 V HN 0.591 nan 8.190 nan 0.000 0.426 131 D N 3.001 123.450 120.400 0.082 0.000 2.336 131 D HA 0.268 4.912 4.640 0.007 0.000 0.249 131 D C 0.188 176.526 176.300 0.063 0.000 1.213 131 D CA 0.168 54.214 54.000 0.076 0.000 0.870 131 D CB 1.850 42.667 40.800 0.028 0.000 1.076 131 D HN 0.219 nan 8.370 nan 0.000 0.483 165 V N 3.322 123.410 119.914 0.289 0.000 2.444 165 V HA 0.369 4.493 4.120 0.007 0.000 0.294 165 V C -0.703 175.386 176.094 -0.007 0.000 1.022 165 V CA -0.781 61.612 62.300 0.155 0.000 0.850 165 V CB 1.115 33.003 31.823 0.108 0.000 0.992 165 V HN 0.271 nan 8.190 nan 0.000 0.426 166 F N 7.043 126.783 119.950 -0.350 0.000 2.504 166 F HA 0.484 5.015 4.527 0.007 0.000 0.369 166 F C -0.042 175.567 175.800 -0.319 0.000 1.082 166 F CA -0.558 57.019 58.000 -0.704 0.000 1.216 166 F CB 0.336 38.963 39.000 -0.622 0.000 1.108 166 F HN 0.452 nan 8.300 nan 0.000 0.554 167 I N 7.983 128.173 120.570 -0.634 0.000 2.714 167 I HA 0.493 4.667 4.170 0.007 0.000 0.276 167 I C 0.055 175.951 176.117 -0.369 0.000 1.196 167 I CA 0.344 61.343 61.300 -0.500 0.000 1.068 167 I CB -0.037 37.877 38.000 -0.144 0.000 1.291 167 I HN 0.984 nan 8.210 nan 0.000 0.530 168 G N 6.558 115.004 108.800 -0.590 0.000 2.741 168 G HA2 -0.196 3.768 3.960 0.007 0.000 0.222 168 G HA3 -0.196 3.768 3.960 0.007 0.000 0.222 168 G C -0.815 174.179 174.900 0.156 0.000 1.364 168 G CA -0.746 44.265 45.100 -0.148 0.000 0.866 168 G HN 0.705 nan 8.290 nan 0.000 0.555 169 R N -0.781 119.825 120.500 0.176 0.000 2.502 169 R HA 0.476 4.820 4.340 0.007 0.000 0.300 169 R C -0.867 175.569 176.300 0.227 0.000 0.984 169 R CA -0.933 55.300 56.100 0.222 0.000 0.882 169 R CB 1.902 32.326 30.300 0.206 0.000 1.180 169 R HN 0.648 nan 8.270 nan 0.000 0.444 170 L N 4.965 126.346 121.223 0.262 0.000 2.255 170 L HA 0.458 4.802 4.340 0.007 0.000 0.289 170 L C -2.540 174.526 176.870 0.327 0.000 1.046 170 L CA -2.026 53.009 54.840 0.326 0.000 0.816 170 L CB 0.823 43.090 42.059 0.347 0.000 1.197 170 L HN 0.367 nan 8.230 nan 0.000 0.427 171 P HA 0.120 nan 4.420 nan 0.000 0.267 171 P C -0.877 176.735 177.300 0.520 0.000 1.200 171 P CA 0.207 63.541 63.100 0.389 0.000 0.772 171 P CB 0.443 32.386 31.700 0.406 0.000 0.855 172 I N 2.501 123.304 120.570 0.389 0.000 2.603 172 I HA 0.384 4.558 4.170 0.007 0.000 0.300 172 I C 0.399 176.333 176.117 -0.304 0.000 1.017 172 I CA -1.038 60.415 61.300 0.254 0.000 1.098 172 I CB 1.471 39.621 38.000 0.249 0.000 1.279 172 I HN 0.403 nan 8.210 nan 0.000 0.437 173 M N 4.890 123.758 119.600 -1.220 0.000 2.200 173 M HA 0.234 4.718 4.480 0.007 0.000 0.355 173 M C -0.909 174.990 176.300 -0.668 0.000 1.283 173 M CA -0.597 53.782 55.300 -1.535 0.000 1.124 173 M CB 0.779 32.175 32.600 -2.006 0.000 1.625 173 M HN 0.362 nan 8.290 nan 0.000 0.463 174 L N 6.140 126.957 121.223 -0.678 0.000 2.453 174 L HA 0.189 4.534 4.340 0.007 0.000 0.272 174 L C 0.810 177.476 176.870 -0.340 0.000 1.182 174 L CA 1.265 55.792 54.840 -0.523 0.000 0.858 174 L CB 0.156 41.697 42.059 -0.862 0.000 1.120 174 L HN 0.922 nan 8.230 nan 0.000 0.474 175 R N 0.697 121.091 120.500 -0.177 0.000 3.919 175 R HA -0.168 4.177 4.340 0.007 0.000 0.412 175 R C 0.478 176.758 176.300 -0.034 0.000 1.102 175 R CA 0.769 56.815 56.100 -0.089 0.000 1.082 175 R CB -2.177 28.063 30.300 -0.100 0.000 1.671 175 R HN 0.856 nan 8.270 nan 0.000 0.540 176 S N -0.039 115.656 115.700 -0.009 0.000 2.625 176 S HA 0.191 4.665 4.470 0.007 0.000 0.258 176 S C 1.230 175.880 174.600 0.083 0.000 1.256 176 S CA -0.497 57.757 58.200 0.091 0.000 0.983 176 S CB 0.832 64.186 63.200 0.256 0.000 1.032 176 S HN 0.213 nan 8.310 nan 0.000 0.572 177 K N 0.426 120.888 120.400 0.103 0.000 2.057 177 K HA -0.063 4.261 4.320 0.007 0.000 0.206 177 K C 1.814 178.434 176.600 0.034 0.000 1.050 177 K CA 1.497 57.819 56.287 0.057 0.000 0.935 177 K CB -0.451 32.080 32.500 0.052 0.000 0.715 177 K HN 0.577 nan 8.250 nan 0.000 0.439 178 N N 0.024 118.766 118.700 0.071 0.000 2.521 178 N HA -0.062 4.683 4.740 0.007 0.000 0.188 178 N C -0.573 174.918 175.510 -0.032 0.000 1.146 178 N CA 0.140 53.205 53.050 0.025 0.000 0.893 178 N CB 0.201 38.743 38.487 0.093 0.000 0.975 178 N HN 0.121 nan 8.380 nan 0.000 0.451 179 C N -0.430 118.880 119.300 0.016 0.000 2.376 179 C HA 0.332 4.797 4.460 0.007 0.000 0.335 179 C C 1.441 176.453 174.990 0.037 0.000 1.229 179 C CA -0.865 58.186 59.018 0.054 0.000 1.867 179 C CB -0.472 27.376 27.740 0.180 0.000 2.319 179 C HN 0.502 nan 8.230 nan 0.000 0.515 180 Y N 2.565 122.967 120.300 0.170 0.000 2.315 180 Y HA -0.073 4.482 4.550 0.007 0.000 0.288 180 Y C 2.022 177.972 175.900 0.083 0.000 1.154 180 Y CA 1.288 59.483 58.100 0.159 0.000 1.229 180 Y CB -0.232 38.419 38.460 0.317 0.000 0.980 180 Y HN 0.576 nan 8.280 nan 0.000 0.540 181 L N -0.368 120.979 121.223 0.206 0.000 2.675 181 L HA -0.070 4.274 4.340 0.007 0.000 0.239 181 L C 2.225 179.111 176.870 0.027 0.000 1.151 181 L CA 0.582 55.463 54.840 0.069 0.000 0.905 181 L CB -0.582 41.477 42.059 -0.001 0.000 1.057 181 L HN 0.218 nan 8.230 nan 0.000 0.435 182 S N 0.236 115.962 115.700 0.043 0.000 2.469 182 S HA -0.132 4.342 4.470 0.007 0.000 0.238 182 S C 0.740 175.347 174.600 0.012 0.000 0.998 182 S CA 0.949 59.161 58.200 0.020 0.000 0.957 182 S CB 0.040 63.252 63.200 0.019 0.000 0.764 182 S HN 0.575 nan 8.310 nan 0.000 0.514 183 E N -0.681 119.532 120.200 0.021 0.000 3.683 183 E HA 0.336 4.690 4.350 0.007 0.000 0.388 183 E C -1.269 175.346 176.600 0.026 0.000 1.016 183 E CA 0.589 56.999 56.400 0.017 0.000 0.784 183 E CB 0.464 30.179 29.700 0.024 0.000 1.309 183 E HN 0.670 nan 8.360 nan 0.000 0.485 184 A N 2.490 125.306 122.820 -0.006 0.000 4.591 184 A HA -0.025 4.299 4.320 0.007 0.000 0.193 184 A C 0.230 177.790 177.584 -0.041 0.000 1.099 184 A CA 0.396 52.411 52.037 -0.037 0.000 0.900 184 A CB -2.238 16.741 19.000 -0.035 0.000 0.873 184 A HN 1.133 nan 8.150 nan 0.000 0.445 185 T N -1.729 112.803 114.554 -0.036 0.000 2.734 185 T HA 0.392 4.746 4.350 0.007 0.000 0.314 185 T C 1.079 175.742 174.700 -0.063 0.000 1.057 185 T CA 0.979 63.054 62.100 -0.042 0.000 1.047 185 T CB 0.715 69.568 68.868 -0.026 0.000 0.991 185 T HN 0.592 nan 8.240 nan 0.000 0.540 186 E N 0.245 120.409 120.200 -0.060 0.000 2.038 186 E HA -0.175 4.179 4.350 0.007 0.000 0.195 186 E C 2.460 179.056 176.600 -0.006 0.000 1.000 186 E CA 1.668 58.020 56.400 -0.078 0.000 0.803 186 E CB -0.290 29.384 29.700 -0.044 0.000 0.750 186 E HN 0.857 nan 8.360 nan 0.000 0.448 187 S N 0.909 116.646 115.700 0.063 0.000 2.365 187 S HA -0.253 4.221 4.470 0.007 0.000 0.225 187 S C 1.649 176.286 174.600 0.061 0.000 1.039 187 S CA 1.635 59.906 58.200 0.118 0.000 1.033 187 S CB -0.635 62.591 63.200 0.044 0.000 0.887 187 S HN 0.205 nan 8.310 nan 0.000 0.447 188 D N 1.905 122.298 120.400 -0.013 0.000 2.154 188 D HA -0.099 4.545 4.640 0.007 0.000 0.190 188 D C 1.862 178.107 176.300 -0.092 0.000 1.003 188 D CA 1.485 55.454 54.000 -0.053 0.000 0.849 188 D CB -0.584 40.182 40.800 -0.058 0.000 0.942 188 D HN 0.402 nan 8.370 nan 0.000 0.446 189 L N -0.816 120.324 121.223 -0.138 0.000 2.079 189 L HA -0.212 4.132 4.340 0.007 0.000 0.210 189 L C 2.244 178.986 176.870 -0.213 0.000 1.081 189 L CA 1.062 55.772 54.840 -0.217 0.000 0.752 189 L CB -0.462 41.409 42.059 -0.313 0.000 0.896 189 L HN 0.201 nan 8.230 nan 0.000 0.433 190 Y N -0.359 119.877 120.300 -0.107 0.000 2.163 190 Y HA -0.254 4.300 4.550 0.007 0.000 0.288 190 Y C 2.788 178.625 175.900 -0.105 0.000 1.136 190 Y CA 1.169 59.207 58.100 -0.103 0.000 1.147 190 Y CB -0.128 38.275 38.460 -0.095 0.000 0.987 190 Y HN 0.006 nan 8.280 nan 0.000 0.509 191 K N 0.930 121.363 120.400 0.056 0.000 2.044 191 K HA -0.222 4.102 4.320 0.007 0.000 0.210 191 K C 1.678 178.233 176.600 -0.075 0.000 1.049 191 K CA 1.486 57.760 56.287 -0.023 0.000 0.927 191 K CB -0.674 31.796 32.500 -0.051 0.000 0.713 191 K HN 0.347 nan 8.250 nan 0.000 0.443 192 L N 0.944 122.089 121.223 -0.130 0.000 2.700 192 L HA -0.065 4.279 4.340 0.007 0.000 0.240 192 L C 0.789 177.584 176.870 -0.123 0.000 1.162 192 L CA 0.744 55.468 54.840 -0.192 0.000 0.874 192 L CB -0.187 41.710 42.059 -0.270 0.000 1.001 192 L HN 0.251 nan 8.230 nan 0.000 0.447 193 K N -1.220 119.134 120.400 -0.077 0.000 3.495 193 K HA -0.221 4.103 4.320 0.007 0.000 0.315 193 K C 0.164 176.716 176.600 -0.081 0.000 1.301 193 K CA 0.978 57.231 56.287 -0.056 0.000 0.985 193 K CB -0.891 31.583 32.500 -0.043 0.000 1.244 193 K HN 0.292 nan 8.250 nan 0.000 0.433 194 E N 1.009 121.138 120.200 -0.118 0.000 2.134 194 E HA 0.113 4.467 4.350 0.007 0.000 0.278 194 E C -0.405 176.079 176.600 -0.192 0.000 0.959 194 E CA -0.385 55.942 56.400 -0.123 0.000 0.783 194 E CB 1.421 31.056 29.700 -0.109 0.000 1.095 194 E HN 0.249 nan 8.360 nan 0.000 0.399 195 C N 6.783 125.990 119.300 -0.155 0.000 2.634 195 C HA 0.094 4.559 4.460 0.007 0.000 0.418 195 C C -0.747 174.121 174.990 -0.204 0.000 1.373 195 C CA -1.306 57.603 59.018 -0.182 0.000 1.756 195 C CB -0.051 27.646 27.740 -0.072 0.000 2.589 195 C HN 0.616 nan 8.230 nan 0.000 0.602 196 P HA -0.058 nan 4.420 nan 0.000 0.225 196 P C 1.270 178.401 177.300 -0.282 0.000 1.156 196 P CA 1.486 64.365 63.100 -0.370 0.000 0.787 196 P CB -0.086 31.287 31.700 -0.546 0.000 0.802 197 F N 0.670 120.544 119.950 -0.128 0.000 2.293 197 F HA -0.060 4.471 4.527 0.007 0.000 0.300 197 F C 1.163 177.030 175.800 0.113 0.000 1.086 197 F CA 0.425 58.389 58.000 -0.060 0.000 1.375 197 F CB -0.804 38.059 39.000 -0.229 0.000 1.045 197 F HN -0.084 nan 8.300 nan 0.000 0.516 198 D N 1.158 121.686 120.400 0.214 0.000 2.434 198 D HA -0.048 4.596 4.640 0.007 0.000 0.252 198 D C 1.134 177.512 176.300 0.129 0.000 1.185 198 D CA 0.073 54.185 54.000 0.187 0.000 0.886 198 D CB 0.576 41.455 40.800 0.132 0.000 1.148 198 D HN 0.020 nan 8.370 nan 0.000 0.483 199 M N 2.402 122.091 119.600 0.148 0.000 2.431 199 M HA 0.303 4.787 4.480 0.007 0.000 0.237 199 M C 0.826 177.158 176.300 0.053 0.000 1.130 199 M CA 0.154 55.507 55.300 0.088 0.000 1.002 199 M CB -0.950 31.708 32.600 0.097 0.000 1.524 199 M HN 0.357 nan 8.290 nan 0.000 0.482 200 G N 1.011 109.864 108.800 0.089 0.000 2.645 200 G HA2 0.117 4.081 3.960 0.007 0.000 0.246 200 G HA3 0.117 4.081 3.960 0.007 0.000 0.246 200 G C 0.533 175.418 174.900 -0.024 0.000 1.322 200 G CA 0.541 45.597 45.100 -0.074 0.000 0.898 200 G HN 1.677 nan 8.290 nan 0.000 0.573 201 G N -2.932 105.715 108.800 -0.256 0.000 2.163 201 G HA2 0.228 4.192 3.960 0.007 0.000 0.213 201 G HA3 0.228 4.192 3.960 0.007 0.000 0.213 201 G C 0.220 175.044 174.900 -0.128 0.000 0.991 201 G CA 1.105 46.105 45.100 -0.167 0.000 0.653 201 G HN 2.311 nan 8.290 nan 0.000 0.518 202 Y N -1.210 118.955 120.300 -0.225 0.000 2.487 202 Y HA 0.820 5.374 4.550 0.007 0.000 0.337 202 Y C -0.294 175.454 175.900 -0.253 0.000 1.076 202 Y CA -2.601 55.427 58.100 -0.120 0.000 1.115 202 Y CB 1.017 39.459 38.460 -0.029 0.000 1.235 202 Y HN -0.062 nan 8.280 nan 0.000 0.468 203 F N 2.766 122.757 119.950 0.068 0.000 2.391 203 F HA 0.446 4.977 4.527 0.007 0.000 0.359 203 F C -0.582 175.295 175.800 0.129 0.000 1.122 203 F CA -0.909 57.115 58.000 0.041 0.000 1.120 203 F CB 0.794 39.827 39.000 0.056 0.000 1.142 203 F HN 0.301 nan 8.300 nan 0.000 0.483 204 I N 5.484 126.197 120.570 0.238 0.000 2.352 204 I HA 0.233 4.407 4.170 0.007 0.000 0.290 204 I C -0.342 175.924 176.117 0.248 0.000 1.036 204 I CA 0.086 61.520 61.300 0.224 0.000 1.336 204 I CB 0.130 38.204 38.000 0.124 0.000 1.407 204 I HN 0.259 nan 8.210 nan 0.000 0.497 205 I N 6.208 126.903 120.570 0.207 0.000 2.569 205 I HA 0.280 4.454 4.170 0.007 0.000 0.290 205 I C 0.206 176.407 176.117 0.140 0.000 1.088 205 I CA -0.652 60.757 61.300 0.182 0.000 1.047 205 I CB 1.650 39.756 38.000 0.178 0.000 1.237 205 I HN 0.519 nan 8.210 nan 0.000 0.421 206 N N 4.241 123.014 118.700 0.121 0.000 2.678 206 N HA -0.222 4.522 4.740 0.007 0.000 0.249 206 N C 1.115 176.688 175.510 0.105 0.000 1.119 206 N CA 1.585 54.694 53.050 0.099 0.000 0.718 206 N CB -0.842 37.700 38.487 0.092 0.000 1.060 206 N HN 1.183 nan 8.380 nan 0.000 0.552 207 G N -2.086 106.781 108.800 0.111 0.000 2.143 207 G HA2 -0.271 3.693 3.960 0.007 0.000 0.249 207 G HA3 -0.271 3.693 3.960 0.007 0.000 0.249 207 G C 0.073 175.042 174.900 0.116 0.000 0.981 207 G CA 1.051 46.221 45.100 0.117 0.000 0.665 207 G HN 1.365 nan 8.290 nan 0.000 0.528 208 S N -1.144 114.623 115.700 0.111 0.000 2.638 208 S HA 0.801 5.276 4.470 0.007 0.000 0.302 208 S C -0.525 174.144 174.600 0.115 0.000 1.096 208 S CA -0.567 57.687 58.200 0.090 0.000 0.953 208 S CB 2.512 65.753 63.200 0.068 0.000 1.107 208 S HN 0.336 nan 8.310 nan 0.000 0.503 209 E N 0.795 121.043 120.200 0.080 0.000 2.231 209 E HA 0.547 4.901 4.350 0.007 0.000 0.277 209 E C -0.736 175.924 176.600 0.101 0.000 0.999 209 E CA -0.911 55.568 56.400 0.131 0.000 0.827 209 E CB 1.062 30.720 29.700 -0.070 0.000 1.101 209 E HN 0.382 nan 8.360 nan 0.000 0.393 210 K N 1.341 121.865 120.400 0.207 0.000 2.422 210 K HA 0.501 4.825 4.320 0.007 0.000 0.251 210 K C -1.170 175.577 176.600 0.245 0.000 0.933 210 K CA -0.823 55.567 56.287 0.172 0.000 0.798 210 K CB 2.381 34.983 32.500 0.171 0.000 1.238 210 K HN 0.254 nan 8.250 nan 0.000 0.428 211 V N 2.896 122.912 119.914 0.170 0.000 2.628 211 V HA 0.439 4.563 4.120 0.007 0.000 0.306 211 V C 0.074 176.232 176.094 0.107 0.000 1.045 211 V CA -1.085 61.338 62.300 0.205 0.000 0.905 211 V CB 1.784 33.741 31.823 0.223 0.000 0.997 211 V HN 0.561 nan 8.190 nan 0.000 0.436 212 L N 4.982 126.255 121.223 0.083 0.000 2.281 212 L HA 0.421 4.765 4.340 0.007 0.000 0.285 212 L C -0.364 176.472 176.870 -0.056 0.000 1.074 212 L CA -0.248 54.541 54.840 -0.084 0.000 0.817 212 L CB 0.720 42.712 42.059 -0.112 0.000 1.168 212 L HN 0.422 nan 8.230 nan 0.000 0.434 213 I N 3.282 123.780 120.570 -0.119 0.000 2.342 213 I HA 0.214 4.388 4.170 0.007 0.000 0.291 213 I C 0.859 176.902 176.117 -0.122 0.000 1.010 213 I CA -0.376 60.859 61.300 -0.107 0.000 1.308 213 I CB 1.440 39.366 38.000 -0.123 0.000 1.400 213 I HN 0.622 nan 8.210 nan 0.000 0.488 214 A N 7.694 130.467 122.820 -0.078 0.000 2.580 214 A HA -0.002 4.322 4.320 0.007 0.000 0.244 214 A C 0.393 177.933 177.584 -0.072 0.000 1.045 214 A CA 0.082 52.081 52.037 -0.064 0.000 0.761 214 A CB -0.162 18.822 19.000 -0.027 0.000 0.962 214 A HN 0.677 nan 8.150 nan 0.000 0.512 215 Q N 1.455 121.205 119.800 -0.084 0.000 2.257 215 Q HA 0.259 4.604 4.340 0.007 0.000 0.255 215 Q C -0.199 175.778 176.000 -0.037 0.000 0.920 215 Q CA -0.110 55.652 55.803 -0.070 0.000 0.927 215 Q CB 1.805 30.487 28.738 -0.093 0.000 1.229 215 Q HN 0.878 nan 8.270 nan 0.000 0.433 216 E N 2.699 122.888 120.200 -0.018 0.000 2.231 216 E HA 0.419 4.773 4.350 0.007 0.000 0.277 216 E C -0.711 175.879 176.600 -0.017 0.000 0.999 216 E CA -0.446 55.948 56.400 -0.009 0.000 0.827 216 E CB 0.953 30.676 29.700 0.037 0.000 1.101 216 E HN 0.516 nan 8.360 nan 0.000 0.393 217 R N 1.026 121.504 120.500 -0.038 0.000 2.739 217 R HA 0.467 4.812 4.340 0.007 0.000 0.271 217 R C -1.226 175.041 176.300 -0.055 0.000 1.010 217 R CA -0.927 55.154 56.100 -0.032 0.000 0.897 217 R CB 1.235 31.521 30.300 -0.023 0.000 1.236 217 R HN 0.287 nan 8.270 nan 0.000 0.466 218 S N 0.857 116.536 115.700 -0.035 0.000 2.548 218 S HA 0.369 4.843 4.470 0.007 0.000 0.277 218 S C 0.168 174.734 174.600 -0.057 0.000 1.315 218 S CA -0.379 57.795 58.200 -0.042 0.000 1.050 218 S CB 1.248 64.448 63.200 -0.001 0.000 0.918 218 S HN 0.676 nan 8.310 nan 0.000 0.497 219 A N 3.150 125.913 122.820 -0.095 0.000 2.488 219 A HA 0.547 4.871 4.320 0.007 0.000 0.249 219 A C 0.989 178.531 177.584 -0.070 0.000 1.083 219 A CA -0.158 51.810 52.037 -0.115 0.000 0.768 219 A CB -0.301 18.579 19.000 -0.199 0.000 1.017 219 A HN 0.899 nan 8.150 nan 0.000 0.496 220 G N 0.890 109.659 108.800 -0.053 0.000 2.653 220 G HA2 0.358 4.322 3.960 0.007 0.000 0.265 220 G HA3 0.358 4.322 3.960 0.007 0.000 0.265 220 G C 0.380 175.265 174.900 -0.026 0.000 1.237 220 G CA 0.060 45.142 45.100 -0.030 0.000 0.946 220 G HN 1.003 nan 8.290 nan 0.000 0.522 221 N N -2.081 116.592 118.700 -0.045 0.000 2.713 221 N HA -0.173 4.571 4.740 0.007 0.000 0.251 221 N C -0.025 175.557 175.510 0.120 0.000 1.117 221 N CA 1.101 54.100 53.050 -0.084 0.000 0.770 221 N CB -1.040 37.318 38.487 -0.215 0.000 1.137 221 N HN 0.490 nan 8.380 nan 0.000 0.566 222 I N 0.629 121.260 120.570 0.102 0.000 2.460 222 I HA 0.214 4.388 4.170 0.007 0.000 0.298 222 I C 0.465 176.624 176.117 0.070 0.000 0.989 222 I CA -0.934 60.432 61.300 0.110 0.000 1.173 222 I CB 1.892 39.911 38.000 0.031 0.000 1.338 222 I HN -0.292 nan 8.210 nan 0.000 0.456 223 V N 6.438 126.374 119.914 0.036 0.000 2.439 223 V HA 0.157 4.281 4.120 0.007 0.000 0.271 223 V C -0.085 175.920 176.094 -0.148 0.000 1.040 223 V CA -0.101 62.161 62.300 -0.062 0.000 1.002 223 V CB 0.581 32.301 31.823 -0.173 0.000 1.000 223 V HN 0.701 nan 8.190 nan 0.000 0.477 224 Q N 3.219 122.919 119.800 -0.167 0.000 2.337 224 Q HA 0.605 4.949 4.340 0.007 0.000 0.270 224 Q C -1.283 174.450 176.000 -0.445 0.000 1.043 224 Q CA -0.657 54.944 55.803 -0.336 0.000 0.794 224 Q CB 2.837 31.348 28.738 -0.379 0.000 1.281 224 Q HN 0.618 nan 8.270 nan 0.000 0.446 225 V N 3.073 122.683 119.914 -0.508 0.000 2.370 225 V HA 0.480 4.604 4.120 0.007 0.000 0.279 225 V C -0.762 175.053 176.094 -0.464 0.000 1.029 225 V CA -0.442 61.648 62.300 -0.350 0.000 0.870 225 V CB 0.295 31.997 31.823 -0.201 0.000 0.984 225 V HN 0.606 nan 8.190 nan 0.000 0.451 226 F N 4.245 124.177 119.950 -0.030 0.000 2.493 226 F HA 0.600 5.131 4.527 0.007 0.000 0.329 226 F C 0.266 176.004 175.800 -0.104 0.000 1.126 226 F CA -0.807 57.161 58.000 -0.054 0.000 0.937 226 F CB 1.999 40.969 39.000 -0.049 0.000 1.146 226 F HN 0.453 nan 8.300 nan 0.000 0.442 227 K N 2.599 123.028 120.400 0.048 0.000 2.463 227 K HA 0.738 5.062 4.320 0.007 0.000 0.255 227 K C -1.284 175.295 176.600 -0.036 0.000 0.942 227 K CA -1.289 54.931 56.287 -0.112 0.000 0.814 227 K CB 1.886 34.144 32.500 -0.404 0.000 1.122 227 K HN 0.359 nan 8.250 nan 0.000 0.425 228 K N 0.273 120.644 120.400 -0.048 0.000 5.707 228 K HA -0.106 4.219 4.320 0.007 0.000 0.660 228 K C -1.233 175.299 176.600 -0.114 0.000 1.386 228 K CA 0.949 57.182 56.287 -0.091 0.000 1.556 228 K CB -1.532 30.904 32.500 -0.107 0.000 1.957 228 K HN 0.969 nan 8.250 nan 0.000 0.357 229 A N 1.153 123.927 122.820 -0.077 0.000 2.281 229 A HA 0.877 5.201 4.320 0.007 0.000 0.329 229 A C 0.648 178.201 177.584 -0.051 0.000 1.122 229 A CA 0.034 52.034 52.037 -0.061 0.000 0.850 229 A CB 1.481 20.456 19.000 -0.041 0.000 1.207 229 A HN 1.041 nan 8.150 nan 0.000 0.495 230 A N 0.468 123.267 122.820 -0.035 0.000 2.605 230 A HA 0.535 4.859 4.320 0.007 0.000 0.292 230 A C -2.693 174.884 177.584 -0.012 0.000 1.055 230 A CA -0.453 51.568 52.037 -0.027 0.000 0.969 230 A CB 0.497 19.490 19.000 -0.011 0.000 1.236 230 A HN 0.480 nan 8.150 nan 0.000 0.534 231 P HA 0.467 nan 4.420 nan 0.000 0.210 231 P C -0.491 176.804 177.300 -0.009 0.000 1.801 231 P CA -0.149 62.948 63.100 -0.005 0.000 1.276 231 P CB 0.720 32.419 31.700 -0.002 0.000 1.572 232 S N 3.816 119.510 115.700 -0.010 0.000 2.824 232 S HA -0.029 4.445 4.470 0.007 0.000 0.853 232 S C -2.434 172.155 174.600 -0.018 0.000 0.868 232 S CA -0.585 57.601 58.200 -0.023 0.000 1.487 232 S CB -0.879 62.301 63.200 -0.034 0.000 1.068 232 S HN 0.136 nan 8.310 nan 0.000 0.222 233 P HA 0.297 nan 4.420 nan 0.000 0.216 233 P C 0.411 177.664 177.300 -0.078 0.000 1.151 233 P CA 0.415 63.496 63.100 -0.030 0.000 0.863 233 P CB 0.063 31.736 31.700 -0.046 0.000 0.790 234 I N -2.671 117.806 120.570 -0.156 0.000 2.863 234 I HA 0.477 4.652 4.170 0.007 0.000 0.311 234 I C 0.543 176.611 176.117 -0.083 0.000 1.026 234 I CA -0.767 60.423 61.300 -0.184 0.000 1.077 234 I CB 1.797 39.580 38.000 -0.362 0.000 1.262 234 I HN -0.149 nan 8.210 nan 0.000 0.461 235 S N 1.263 116.952 115.700 -0.018 0.000 2.649 235 S HA 0.330 4.804 4.470 0.007 0.000 0.246 235 S C -0.125 174.391 174.600 -0.141 0.000 1.057 235 S CA -0.161 58.036 58.200 -0.004 0.000 1.051 235 S CB -0.185 63.100 63.200 0.141 0.000 1.018 235 S HN 0.872 nan 8.310 nan 0.000 0.569 236 H N -0.366 118.692 119.070 -0.019 0.000 3.029 236 H HA 0.745 5.305 4.556 0.007 0.000 0.358 236 H C -1.659 173.673 175.328 0.006 0.000 1.129 236 H CA -0.523 55.527 56.048 0.002 0.000 1.230 236 H CB 2.188 31.949 29.762 -0.003 0.000 1.827 236 H HN 0.122 nan 8.280 nan 0.000 0.530 237 V N 1.598 121.592 119.914 0.133 0.000 2.711 237 V HA 0.660 4.784 4.120 0.007 0.000 0.304 237 V C -0.508 175.669 176.094 0.140 0.000 1.097 237 V CA -0.830 61.539 62.300 0.115 0.000 0.906 237 V CB 1.836 33.710 31.823 0.084 0.000 1.015 237 V HN 0.967 nan 8.190 nan 0.000 0.427 238 A N 3.730 126.604 122.820 0.090 0.000 2.301 238 A HA 0.805 5.129 4.320 0.007 0.000 0.298 238 A C -0.282 177.360 177.584 0.097 0.000 1.185 238 A CA -0.310 51.757 52.037 0.050 0.000 0.830 238 A CB 0.794 19.787 19.000 -0.011 0.000 1.112 238 A HN 0.849 nan 8.150 nan 0.000 0.508 239 E N 1.513 121.787 120.200 0.123 0.000 2.272 239 E HA 0.645 4.999 4.350 0.007 0.000 0.269 239 E C -1.851 174.820 176.600 0.119 0.000 0.877 239 E CA -0.508 55.992 56.400 0.166 0.000 0.755 239 E CB 1.826 31.719 29.700 0.321 0.000 1.192 239 E HN 0.666 nan 8.360 nan 0.000 0.422 240 I N 3.245 123.885 120.570 0.116 0.000 2.548 240 I HA 0.382 4.556 4.170 0.007 0.000 0.287 240 I C -1.179 175.001 176.117 0.106 0.000 1.103 240 I CA -0.652 60.720 61.300 0.121 0.000 1.049 240 I CB 1.174 39.282 38.000 0.180 0.000 1.232 240 I HN 0.477 nan 8.210 nan 0.000 0.429 241 R N 5.095 125.643 120.500 0.081 0.000 2.242 241 R HA 0.321 4.665 4.340 0.007 0.000 0.334 241 R C -0.413 175.909 176.300 0.036 0.000 1.071 241 R CA -0.237 55.897 56.100 0.056 0.000 0.922 241 R CB 0.773 31.096 30.300 0.039 0.000 1.023 241 R HN 0.658 nan 8.270 nan 0.000 0.458 242 S N 1.436 117.170 115.700 0.057 0.000 2.474 242 S HA 0.764 5.239 4.470 0.007 0.000 0.321 242 S C -0.514 174.127 174.600 0.069 0.000 1.080 242 S CA -0.789 57.455 58.200 0.073 0.000 1.106 242 S CB 1.972 65.305 63.200 0.222 0.000 0.984 242 S HN 0.651 nan 8.310 nan 0.000 0.464 243 A N 3.464 126.301 122.820 0.028 0.000 2.572 243 A HA 0.743 5.067 4.320 0.007 0.000 0.295 243 A C -0.902 176.702 177.584 0.033 0.000 1.072 243 A CA -0.903 51.158 52.037 0.040 0.000 0.691 243 A CB 1.061 20.079 19.000 0.031 0.000 1.291 243 A HN 0.809 nan 8.150 nan 0.000 0.404 244 L N 1.263 122.515 121.223 0.047 0.000 2.439 244 L HA 0.285 4.629 4.340 0.007 0.000 0.261 244 L C 1.919 178.813 176.870 0.041 0.000 1.153 244 L CA -0.300 54.568 54.840 0.046 0.000 0.808 244 L CB 1.146 43.232 42.059 0.044 0.000 1.126 244 L HN 1.046 nan 8.230 nan 0.000 0.460 245 E N 1.812 122.037 120.200 0.042 0.000 2.051 245 E HA -0.160 4.194 4.350 0.007 0.000 0.192 245 E C -0.129 176.501 176.600 0.050 0.000 0.991 245 E CA 0.942 57.369 56.400 0.045 0.000 0.799 245 E CB -0.115 29.614 29.700 0.048 0.000 0.748 245 E HN 0.547 nan 8.360 nan 0.000 0.449 246 K N -0.106 120.323 120.400 0.048 0.000 2.318 246 K HA 0.544 4.868 4.320 0.007 0.000 0.249 246 K C -0.245 176.385 176.600 0.051 0.000 0.942 246 K CA -0.546 55.772 56.287 0.052 0.000 0.808 246 K CB 1.980 34.508 32.500 0.048 0.000 1.189 246 K HN 0.137 nan 8.250 nan 0.000 0.428 247 G N 1.332 110.166 108.800 0.057 0.000 3.129 247 G HA2 -0.008 3.957 3.960 0.007 0.000 0.385 247 G HA3 -0.008 3.957 3.960 0.007 0.000 0.385 247 G C -0.117 174.815 174.900 0.054 0.000 1.046 247 G CA 0.063 45.197 45.100 0.057 0.000 0.933 247 G HN 1.293 nan 8.290 nan 0.000 0.424 252 S N 4.015 119.751 115.700 0.060 0.000 2.437 252 S HA 0.736 5.211 4.470 0.007 0.000 0.305 252 S C 0.172 174.805 174.600 0.055 0.000 1.109 252 S CA -0.117 58.121 58.200 0.063 0.000 1.099 252 S CB 0.990 64.225 63.200 0.058 0.000 1.004 252 S HN 0.589 nan 8.310 nan 0.000 0.475 253 T N 4.148 118.736 114.554 0.056 0.000 2.929 253 T HA 0.436 4.790 4.350 0.007 0.000 0.331 253 T C -0.208 174.525 174.700 0.055 0.000 1.120 253 T CA -0.691 61.442 62.100 0.055 0.000 0.973 253 T CB 0.317 69.215 68.868 0.049 0.000 1.036 253 T HN 0.538 nan 8.240 nan 0.000 0.502 254 L N 2.714 123.971 121.223 0.055 0.000 2.397 254 L HA 0.454 4.799 4.340 0.007 0.000 0.271 254 L C -0.231 176.683 176.870 0.074 0.000 1.148 254 L CA 0.365 55.243 54.840 0.063 0.000 0.825 254 L CB 0.791 42.876 42.059 0.042 0.000 1.117 254 L HN 0.660 nan 8.230 nan 0.000 0.456 255 Q N 3.566 123.412 119.800 0.078 0.000 2.347 255 Q HA 0.575 4.919 4.340 0.007 0.000 0.271 255 Q C -1.578 174.471 176.000 0.081 0.000 1.064 255 Q CA -0.933 54.917 55.803 0.077 0.000 0.800 255 Q CB 2.715 31.491 28.738 0.062 0.000 1.304 255 Q HN 0.543 nan 8.270 nan 0.000 0.438 256 V N 2.088 122.049 119.914 0.078 0.000 2.483 256 V HA 0.489 4.613 4.120 0.007 0.000 0.295 256 V C -0.489 175.651 176.094 0.075 0.000 1.035 256 V CA -0.723 61.622 62.300 0.076 0.000 0.896 256 V CB 1.699 33.559 31.823 0.062 0.000 0.986 256 V HN 0.614 nan 8.190 nan 0.000 0.447 257 K N 3.348 123.803 120.400 0.092 0.000 2.426 257 K HA 0.606 4.930 4.320 0.007 0.000 0.254 257 K C -1.399 175.280 176.600 0.130 0.000 0.936 257 K CA -0.778 55.555 56.287 0.076 0.000 0.801 257 K CB 2.196 34.718 32.500 0.036 0.000 1.139 257 K HN 0.511 nan 8.250 nan 0.000 0.424 258 L N 4.639 125.921 121.223 0.097 0.000 2.264 258 L HA 0.360 4.704 4.340 0.007 0.000 0.287 258 L C -1.238 175.708 176.870 0.127 0.000 1.039 258 L CA -0.219 54.701 54.840 0.133 0.000 0.829 258 L CB -0.052 42.063 42.059 0.093 0.000 1.211 258 L HN 0.457 nan 8.230 nan 0.000 0.427 259 Y N 3.657 123.987 120.300 0.051 0.000 2.281 259 Y HA 0.583 5.138 4.550 0.007 0.000 0.337 259 Y C 1.285 177.213 175.900 0.047 0.000 1.304 259 Y CA 0.711 58.840 58.100 0.048 0.000 1.465 259 Y CB 0.769 39.252 38.460 0.038 0.000 1.350 259 Y HN 0.869 nan 8.280 nan 0.000 0.575 260 G N 1.564 110.487 108.800 0.205 0.000 2.755 260 G HA2 -0.187 3.777 3.960 0.007 0.000 0.686 260 G HA3 -0.187 3.777 3.960 0.007 0.000 0.686 260 G C -0.682 174.275 174.900 0.095 0.000 1.427 260 G CA -0.873 44.306 45.100 0.131 0.000 0.873 260 G HN 0.629 nan 8.290 nan 0.000 0.580 261 R N -0.129 120.415 120.500 0.075 0.000 2.606 261 R HA 0.439 4.783 4.340 0.007 0.000 0.249 261 R C 0.480 176.816 176.300 0.059 0.000 1.127 261 R CA -0.794 55.345 56.100 0.066 0.000 1.133 261 R CB 0.793 31.123 30.300 0.050 0.000 1.243 261 R HN 0.685 nan 8.270 nan 0.000 0.558 262 E N 0.214 120.447 120.200 0.056 0.000 2.299 262 E HA 0.094 4.448 4.350 0.007 0.000 0.272 262 E C 0.241 176.862 176.600 0.035 0.000 1.043 262 E CA 0.779 57.204 56.400 0.042 0.000 0.895 262 E CB 0.479 30.204 29.700 0.042 0.000 1.011 262 E HN 0.795 nan 8.360 nan 0.000 0.432 263 G N 3.371 112.190 108.800 0.032 0.000 2.279 263 G HA2 -0.248 3.716 3.960 0.007 0.000 0.223 263 G HA3 -0.248 3.716 3.960 0.007 0.000 0.223 263 G C 0.455 175.374 174.900 0.031 0.000 1.015 263 G CA 0.092 45.210 45.100 0.030 0.000 0.621 263 G HN 0.572 nan 8.290 nan 0.000 0.506 264 S N 0.330 116.052 115.700 0.037 0.000 2.573 264 S HA 0.521 4.995 4.470 0.007 0.000 0.277 264 S C 0.687 175.310 174.600 0.038 0.000 1.346 264 S CA 0.721 58.945 58.200 0.040 0.000 1.034 264 S CB 1.370 64.602 63.200 0.052 0.000 0.879 264 S HN 0.881 nan 8.310 nan 0.000 0.528 265 S N 1.395 117.116 115.700 0.036 0.000 2.586 265 S HA 0.541 5.015 4.470 0.007 0.000 0.274 265 S C -0.108 174.513 174.600 0.035 0.000 1.281 265 S CA 0.133 58.351 58.200 0.031 0.000 1.035 265 S CB 0.280 63.495 63.200 0.025 0.000 0.962 265 S HN 1.633 nan 8.310 nan 0.000 0.512 266 A N 4.012 126.850 122.820 0.029 0.000 2.026 266 A HA -0.106 4.218 4.320 0.007 0.000 0.259 266 A C 0.419 178.028 177.584 0.042 0.000 1.374 266 A CA 0.170 52.224 52.037 0.028 0.000 0.717 266 A CB -1.144 17.867 19.000 0.017 0.000 1.187 266 A HN 0.743 nan 8.150 nan 0.000 0.296 267 R N 1.488 122.012 120.500 0.039 0.000 4.559 267 R HA 0.067 4.411 4.340 0.007 0.000 0.177 267 R C 0.904 177.236 176.300 0.054 0.000 1.875 267 R CA 0.954 57.082 56.100 0.047 0.000 1.509 267 R CB -0.784 29.532 30.300 0.026 0.000 1.395 267 R HN 0.895 nan 8.270 nan 0.000 0.830 268 T N 0.566 115.159 114.554 0.066 0.000 2.851 268 T HA 0.278 4.632 4.350 0.007 0.000 0.298 268 T C 0.513 175.273 174.700 0.099 0.000 0.977 268 T CA -0.312 61.817 62.100 0.048 0.000 1.126 268 T CB 0.286 69.139 68.868 -0.023 0.000 0.916 268 T HN 0.286 nan 8.240 nan 0.000 0.529 269 I N 5.655 126.271 120.570 0.076 0.000 2.330 269 I HA 0.393 4.567 4.170 0.007 0.000 0.286 269 I C 0.605 176.773 176.117 0.085 0.000 1.025 269 I CA -0.743 60.618 61.300 0.101 0.000 1.197 269 I CB 1.165 39.208 38.000 0.072 0.000 1.358 269 I HN 0.589 nan 8.210 nan 0.000 0.467 270 K N 4.422 124.906 120.400 0.139 0.000 2.450 270 K HA 0.948 5.272 4.320 0.007 0.000 0.248 270 K C -0.702 175.972 176.600 0.123 0.000 1.056 270 K CA -0.987 55.368 56.287 0.113 0.000 0.974 270 K CB 2.018 34.589 32.500 0.119 0.000 1.334 270 K HN 0.607 nan 8.250 nan 0.000 0.516 271 A N 0.344 123.228 122.820 0.106 0.000 2.555 271 A HA 0.322 4.646 4.320 0.007 0.000 0.297 271 A C -1.210 176.425 177.584 0.085 0.000 1.060 271 A CA -0.623 51.468 52.037 0.090 0.000 0.710 271 A CB 1.520 20.556 19.000 0.059 0.000 1.282 271 A HN 0.445 nan 8.150 nan 0.000 0.399 272 T N 2.940 117.545 114.554 0.086 0.000 2.776 272 T HA 0.386 4.741 4.350 0.007 0.000 0.292 272 T C -0.003 174.736 174.700 0.065 0.000 0.921 272 T CA 0.494 62.636 62.100 0.071 0.000 1.038 272 T CB -0.800 68.109 68.868 0.067 0.000 0.910 272 T HN 0.423 nan 8.240 nan 0.000 0.536 273 L N 6.339 127.588 121.223 0.043 0.000 2.326 273 L HA 0.331 4.675 4.340 0.007 0.000 0.278 273 L C -1.704 175.137 176.870 -0.048 0.000 1.092 273 L CA -2.303 52.554 54.840 0.028 0.000 0.810 273 L CB 0.770 42.820 42.059 -0.014 0.000 1.153 273 L HN 0.321 nan 8.230 nan 0.000 0.439 274 P HA -0.179 nan 4.420 nan 0.000 0.231 274 P C -1.029 176.017 177.300 -0.423 0.000 1.048 274 P CA 0.721 63.721 63.100 -0.167 0.000 0.925 274 P CB -0.645 30.929 31.700 -0.209 0.000 0.852 275 Y N 0.806 121.118 120.300 0.020 0.000 2.501 275 Y HA -0.323 4.231 4.550 0.007 0.000 0.097 275 Y C 0.157 176.059 175.900 0.003 0.000 1.696 275 Y CA -0.948 57.158 58.100 0.011 0.000 1.423 275 Y CB -1.534 36.931 38.460 0.009 0.000 2.068 275 Y HN 0.366 nan 8.280 nan 0.000 0.253 276 I N 1.967 122.736 120.570 0.332 0.000 8.455 276 I HA -0.355 3.819 4.170 0.007 0.000 0.126 276 I C 0.235 176.401 176.117 0.081 0.000 1.855 276 I CA 1.461 62.889 61.300 0.213 0.000 2.041 276 I CB -0.562 37.619 38.000 0.301 0.000 3.831 276 I HN 1.047 nan 8.210 nan 0.000 0.170 277 K N 2.337 122.769 120.400 0.052 0.000 1.889 277 K HA -0.167 4.157 4.320 0.007 0.000 0.830 277 K C -0.254 176.353 176.600 0.012 0.000 2.106 277 K CA 0.630 56.917 56.287 -0.001 0.000 1.379 277 K CB -0.249 32.210 32.500 -0.069 0.000 2.598 277 K HN 0.715 nan 8.250 nan 0.000 0.232 278 Q N 0.584 120.382 119.800 -0.002 0.000 2.308 278 Q HA 0.082 4.426 4.340 0.007 0.000 0.207 278 Q C -0.795 175.242 176.000 0.062 0.000 1.035 278 Q CA -0.155 55.673 55.803 0.042 0.000 1.008 278 Q CB 0.525 29.295 28.738 0.053 0.000 1.168 278 Q HN 0.372 nan 8.270 nan 0.000 0.565 279 D N 1.953 122.411 120.400 0.096 0.000 2.348 279 D HA 0.205 4.849 4.640 0.007 0.000 0.253 279 D C -0.201 176.164 176.300 0.108 0.000 1.161 279 D CA 0.092 54.159 54.000 0.111 0.000 0.876 279 D CB 0.712 41.619 40.800 0.178 0.000 1.160 279 D HN 0.269 nan 8.370 nan 0.000 0.459 280 I N 2.639 123.267 120.570 0.096 0.000 2.362 280 I HA 0.219 4.394 4.170 0.007 0.000 0.289 280 I C -2.383 173.762 176.117 0.047 0.000 0.994 280 I CA -2.744 58.623 61.300 0.112 0.000 1.158 280 I CB 0.967 39.052 38.000 0.143 0.000 1.315 280 I HN -0.123 nan 8.210 nan 0.000 0.451 281 P HA 0.029 nan 4.420 nan 0.000 0.261 281 P C 1.413 178.698 177.300 -0.026 0.000 1.173 281 P CA 0.164 63.263 63.100 -0.001 0.000 0.760 281 P CB 0.480 32.167 31.700 -0.021 0.000 0.783 282 I N 2.185 122.732 120.570 -0.038 0.000 2.530 282 I HA -0.237 3.937 4.170 0.007 0.000 0.257 282 I C 1.640 177.711 176.117 -0.077 0.000 1.179 282 I CA 1.197 62.411 61.300 -0.144 0.000 1.440 282 I CB -1.041 36.866 38.000 -0.155 0.000 1.087 282 I HN 0.111 nan 8.210 nan 0.000 0.440 283 V N 0.448 120.392 119.914 0.052 0.000 2.332 283 V HA -0.243 3.881 4.120 0.007 0.000 0.248 283 V C 2.516 178.651 176.094 0.069 0.000 1.055 283 V CA 1.695 64.064 62.300 0.115 0.000 1.038 283 V CB -1.180 30.691 31.823 0.079 0.000 0.651 283 V HN 0.450 nan 8.190 nan 0.000 0.450 284 I N 0.247 120.817 120.570 -0.001 0.000 2.353 284 I HA -0.086 4.088 4.170 0.007 0.000 0.248 284 I C 2.641 178.735 176.117 -0.038 0.000 1.119 284 I CA 1.148 62.437 61.300 -0.018 0.000 1.417 284 I CB -1.203 36.779 38.000 -0.031 0.000 1.078 284 I HN 0.256 nan 8.210 nan 0.000 0.421 285 I N 0.857 121.359 120.570 -0.113 0.000 2.226 285 I HA -0.261 3.914 4.170 0.007 0.000 0.245 285 I C 2.708 178.680 176.117 -0.242 0.000 1.100 285 I CA 1.671 62.827 61.300 -0.241 0.000 1.374 285 I CB -1.436 36.343 38.000 -0.368 0.000 1.057 285 I HN 0.105 nan 8.210 nan 0.000 0.413 286 F N 0.996 120.886 119.950 -0.101 0.000 2.186 286 F HA -0.130 4.401 4.527 0.007 0.000 0.299 286 F C 2.727 178.471 175.800 -0.095 0.000 1.090 286 F CA 0.819 58.747 58.000 -0.121 0.000 1.307 286 F CB -0.264 38.663 39.000 -0.122 0.000 1.019 286 F HN -0.025 nan 8.300 nan 0.000 0.489 287 R N -0.172 120.398 120.500 0.116 0.000 2.193 287 R HA -0.008 4.336 4.340 0.007 0.000 0.213 287 R C 2.229 178.541 176.300 0.020 0.000 1.055 287 R CA 0.745 56.879 56.100 0.058 0.000 0.995 287 R CB -0.313 30.013 30.300 0.043 0.000 0.893 287 R HN 0.214 nan 8.270 nan 0.000 0.459 288 A N 0.585 123.398 122.820 -0.012 0.000 2.016 288 A HA -0.023 4.301 4.320 0.007 0.000 0.217 288 A C 1.950 179.509 177.584 -0.041 0.000 1.162 288 A CA 0.765 52.779 52.037 -0.037 0.000 0.662 288 A CB -0.116 18.836 19.000 -0.080 0.000 0.812 288 A HN 0.158 nan 8.150 nan 0.000 0.450 289 L N -2.196 119.007 121.223 -0.033 0.000 2.084 289 L HA 0.160 4.504 4.340 0.007 0.000 0.202 289 L C 2.199 179.085 176.870 0.026 0.000 1.074 289 L CA 1.338 56.170 54.840 -0.013 0.000 0.757 289 L CB -0.136 41.931 42.059 0.014 0.000 0.918 289 L HN 0.533 nan 8.230 nan 0.000 0.444 290 G N -1.110 107.713 108.800 0.039 0.000 4.212 290 G HA2 0.065 4.029 3.960 0.007 0.000 0.199 290 G HA3 0.065 4.029 3.960 0.007 0.000 0.199 290 G C 0.017 174.942 174.900 0.041 0.000 0.986 290 G CA -0.397 44.727 45.100 0.041 0.000 0.985 290 G HN 0.058 nan 8.290 nan 0.000 0.378 291 I N 3.056 123.649 120.570 0.038 0.000 2.692 291 I HA 0.287 4.461 4.170 0.007 0.000 0.284 291 I C 1.358 177.495 176.117 0.033 0.000 1.159 291 I CA -0.033 61.285 61.300 0.030 0.000 1.423 291 I CB 0.706 38.698 38.000 -0.013 0.000 1.380 291 I HN 0.095 nan 8.210 nan 0.000 0.580 292 I N 2.446 123.034 120.570 0.031 0.000 4.124 292 I HA 0.253 4.427 4.170 0.007 0.000 0.311 292 I C -1.966 174.169 176.117 0.031 0.000 1.259 292 I CA -0.155 61.164 61.300 0.032 0.000 1.315 292 I CB -1.572 36.445 38.000 0.029 0.000 1.223 292 I HN 0.369 nan 8.210 nan 0.000 0.441 293 P HA 0.325 nan 4.420 nan 0.000 0.285 293 P C -0.904 176.398 177.300 0.003 0.000 1.259 293 P CA 0.305 63.415 63.100 0.018 0.000 0.794 293 P CB 0.345 32.053 31.700 0.014 0.000 0.940 294 D N 2.245 122.647 120.400 0.003 0.000 3.061 294 D HA -0.027 4.617 4.640 0.007 0.000 0.252 294 D C 1.047 177.350 176.300 0.005 0.000 1.080 294 D CA 2.073 56.082 54.000 0.014 0.000 0.871 294 D CB -1.411 39.406 40.800 0.029 0.000 1.018 294 D HN 0.768 nan 8.370 nan 0.000 0.425 295 G N 0.649 109.447 108.800 -0.004 0.000 3.047 295 G HA2 -0.360 3.604 3.960 0.007 0.000 0.203 295 G HA3 -0.360 3.604 3.960 0.007 0.000 0.203 295 G C 0.900 175.789 174.900 -0.019 0.000 1.444 295 G CA 0.428 45.525 45.100 -0.004 0.000 1.020 295 G HN 0.480 nan 8.290 nan 0.000 0.563 296 E N 0.229 120.417 120.200 -0.021 0.000 2.152 296 E HA 0.074 4.428 4.350 0.007 0.000 0.192 296 E C 2.549 179.121 176.600 -0.048 0.000 0.983 296 E CA 0.805 57.180 56.400 -0.042 0.000 0.818 296 E CB -0.103 29.590 29.700 -0.011 0.000 0.758 296 E HN 0.433 nan 8.360 nan 0.000 0.467 297 I N 1.394 121.929 120.570 -0.058 0.000 2.194 297 I HA -0.316 3.858 4.170 0.007 0.000 0.246 297 I C 2.193 178.205 176.117 -0.174 0.000 1.093 297 I CA 1.368 62.564 61.300 -0.175 0.000 1.355 297 I CB -1.082 36.841 38.000 -0.128 0.000 1.046 297 I HN 0.289 nan 8.210 nan 0.000 0.413 298 L N -0.181 120.984 121.223 -0.096 0.000 2.046 298 L HA -0.166 4.178 4.340 0.007 0.000 0.208 298 L C 2.049 178.855 176.870 -0.108 0.000 1.077 298 L CA 1.254 56.046 54.840 -0.080 0.000 0.747 298 L CB -0.827 41.209 42.059 -0.039 0.000 0.896 298 L HN 0.271 nan 8.230 nan 0.000 0.432 299 E N -0.532 119.583 120.200 -0.142 0.000 2.526 299 E HA -0.125 4.229 4.350 0.007 0.000 0.198 299 E C 1.667 178.085 176.600 -0.303 0.000 1.091 299 E CA 0.262 56.558 56.400 -0.173 0.000 0.880 299 E CB 0.092 29.672 29.700 -0.199 0.000 0.873 299 E HN 0.609 nan 8.360 nan 0.000 0.527 300 H N -0.798 118.068 119.070 -0.340 0.000 2.451 300 H HA 0.079 4.639 4.556 0.007 0.000 0.294 300 H C 1.969 177.262 175.328 -0.059 0.000 1.028 300 H CA 0.498 56.274 56.048 -0.454 0.000 1.349 300 H CB 0.603 29.917 29.762 -0.747 0.000 1.444 300 H HN 0.130 nan 8.280 nan 0.000 0.538 301 I N 1.217 121.773 120.570 -0.023 0.000 3.627 301 I HA -0.088 4.086 4.170 0.007 0.000 0.221 301 I C 1.165 177.076 176.117 -0.343 0.000 1.024 301 I CA 0.045 61.306 61.300 -0.066 0.000 1.456 301 I CB -0.217 37.773 38.000 -0.016 0.000 1.325 301 I HN 0.144 nan 8.210 nan 0.000 0.426 302 C N -0.120 119.015 119.300 -0.275 0.000 2.605 302 C HA 0.238 4.703 4.460 0.007 0.000 0.404 302 C C 1.114 175.932 174.990 -0.286 0.000 1.284 302 C CA -0.649 58.164 59.018 -0.342 0.000 2.199 302 C CB -0.416 27.236 27.740 -0.147 0.000 2.647 302 C HN 0.493 nan 8.230 nan 0.000 0.604 303 Y N 0.231 120.578 120.300 0.078 0.000 2.333 303 Y HA 0.210 4.764 4.550 0.007 0.000 0.287 303 Y C 1.355 177.276 175.900 0.036 0.000 1.149 303 Y CA -0.020 58.115 58.100 0.058 0.000 1.193 303 Y CB -0.466 38.069 38.460 0.124 0.000 1.175 303 Y HN 0.608 nan 8.280 nan 0.000 0.518 304 D N 0.071 120.596 120.400 0.208 0.000 2.424 304 D HA 0.100 4.744 4.640 0.007 0.000 0.244 304 D C 0.698 177.062 176.300 0.106 0.000 1.134 304 D CA 0.171 54.257 54.000 0.143 0.000 0.881 304 D CB 1.661 42.535 40.800 0.124 0.000 1.191 304 D HN -0.045 nan 8.370 nan 0.000 0.445 305 V N 2.589 122.570 119.914 0.111 0.000 3.174 305 V HA -0.031 4.093 4.120 0.007 0.000 0.254 305 V C 1.630 177.792 176.094 0.112 0.000 1.120 305 V CA 0.327 62.688 62.300 0.102 0.000 1.114 305 V CB -0.484 31.398 31.823 0.098 0.000 0.756 305 V HN 0.475 nan 8.190 nan 0.000 0.467 306 N N 0.924 119.690 118.700 0.109 0.000 2.223 306 N HA -0.122 4.622 4.740 0.007 0.000 0.185 306 N C 0.883 176.492 175.510 0.164 0.000 1.016 306 N CA 1.133 54.258 53.050 0.127 0.000 0.863 306 N CB -0.404 38.144 38.487 0.101 0.000 0.983 306 N HN 0.565 nan 8.380 nan 0.000 0.429 307 D N 1.102 121.563 120.400 0.102 0.000 2.398 307 D HA -0.047 4.597 4.640 0.007 0.000 0.250 307 D C 1.225 177.539 176.300 0.023 0.000 1.287 307 D CA -0.415 53.598 54.000 0.021 0.000 0.992 307 D CB -0.035 40.753 40.800 -0.020 0.000 1.071 307 D HN 0.328 nan 8.370 nan 0.000 0.514 308 W N 2.931 124.236 121.300 0.008 0.000 2.518 308 W HA -0.034 4.630 4.660 0.007 0.000 0.273 308 W C 1.353 177.869 176.519 -0.004 0.000 1.247 308 W CA -0.089 57.257 57.345 0.002 0.000 1.288 308 W CB -0.547 28.914 29.460 0.001 0.000 1.107 308 W HN 0.391 nan 8.180 nan 0.000 0.586 309 Q N 1.297 120.561 119.800 -0.893 0.000 2.030 309 Q HA -0.272 4.072 4.340 0.007 0.000 0.204 309 Q C 2.588 178.369 176.000 -0.364 0.000 0.986 309 Q CA 2.903 58.127 55.803 -0.967 0.000 0.843 309 Q CB -0.464 27.686 28.738 -0.980 0.000 0.904 309 Q HN 0.302 nan 8.270 nan 0.000 0.420 310 M N -0.016 119.431 119.600 -0.255 0.000 2.108 310 M HA -0.207 4.277 4.480 0.007 0.000 0.261 310 M C 1.694 177.950 176.300 -0.074 0.000 1.066 310 M CA 1.452 56.665 55.300 -0.145 0.000 1.107 310 M CB -0.043 32.481 32.600 -0.126 0.000 1.356 310 M HN 0.281 nan 8.290 nan 0.000 0.406 311 L N -0.137 121.068 121.223 -0.029 0.000 2.042 311 L HA -0.231 4.113 4.340 0.007 0.000 0.210 311 L C 2.473 179.372 176.870 0.049 0.000 1.076 311 L CA 1.530 56.388 54.840 0.029 0.000 0.749 311 L CB -0.910 41.200 42.059 0.085 0.000 0.893 311 L HN 0.311 nan 8.230 nan 0.000 0.432 312 E N -0.202 120.047 120.200 0.081 0.000 2.118 312 E HA -0.235 4.119 4.350 0.007 0.000 0.195 312 E C 2.227 178.852 176.600 0.042 0.000 0.992 312 E CA 1.340 57.805 56.400 0.109 0.000 0.804 312 E CB -0.066 29.753 29.700 0.199 0.000 0.741 312 E HN 0.217 nan 8.360 nan 0.000 0.458 313 M N -0.557 119.039 119.600 -0.007 0.000 2.108 313 M HA -0.131 4.353 4.480 0.007 0.000 0.261 313 M C 2.061 178.360 176.300 -0.001 0.000 1.066 313 M CA 1.319 56.607 55.300 -0.020 0.000 1.107 313 M CB -0.618 31.948 32.600 -0.057 0.000 1.356 313 M HN 0.192 nan 8.290 nan 0.000 0.406 314 L N -1.047 120.179 121.223 0.005 0.000 2.492 314 L HA -0.090 4.254 4.340 0.007 0.000 0.223 314 L C 2.244 179.128 176.870 0.022 0.000 1.132 314 L CA 0.152 55.002 54.840 0.016 0.000 0.850 314 L CB -0.322 41.748 42.059 0.017 0.000 0.966 314 L HN 0.255 nan 8.230 nan 0.000 0.454 315 K N 0.821 121.234 120.400 0.022 0.000 2.049 315 K HA -0.219 4.105 4.320 0.007 0.000 0.219 315 K C -0.646 175.961 176.600 0.012 0.000 1.056 315 K CA 2.154 58.452 56.287 0.017 0.000 0.946 315 K CB -0.990 31.523 32.500 0.021 0.000 0.723 315 K HN 0.271 nan 8.250 nan 0.000 0.453 316 P HA 0.020 nan 4.420 nan 0.000 0.241 316 P C 0.810 178.124 177.300 0.022 0.000 1.191 316 P CA 0.771 63.880 63.100 0.015 0.000 0.771 316 P CB -0.062 31.648 31.700 0.017 0.000 0.929 317 C N -0.554 118.764 119.300 0.029 0.000 2.453 317 C HA -0.062 4.402 4.460 0.007 0.000 0.277 317 C C 2.882 177.900 174.990 0.047 0.000 1.262 317 C CA 0.422 59.463 59.018 0.038 0.000 1.718 317 C CB -1.473 26.297 27.740 0.050 0.000 2.031 317 C HN 0.111 nan 8.230 nan 0.000 0.480 318 V N 1.428 121.370 119.914 0.046 0.000 2.295 318 V HA -0.243 3.881 4.120 0.007 0.000 0.246 318 V C 2.332 178.476 176.094 0.083 0.000 1.049 318 V CA 2.226 64.560 62.300 0.057 0.000 1.024 318 V CB -0.958 30.884 31.823 0.031 0.000 0.648 318 V HN 0.570 nan 8.190 nan 0.000 0.447 319 E N 0.185 120.408 120.200 0.039 0.000 2.209 319 E HA -0.275 4.079 4.350 0.007 0.000 0.196 319 E C 1.882 178.595 176.600 0.189 0.000 0.993 319 E CA 1.488 57.915 56.400 0.044 0.000 0.819 319 E CB -0.231 29.450 29.700 -0.032 0.000 0.745 319 E HN 0.786 nan 8.360 nan 0.000 0.477 320 D N -0.473 119.991 120.400 0.106 0.000 2.194 320 D HA -0.066 4.578 4.640 0.007 0.000 0.204 320 D C 1.934 178.265 176.300 0.051 0.000 0.964 320 D CA 1.320 55.361 54.000 0.067 0.000 0.846 320 D CB -0.106 40.702 40.800 0.014 0.000 0.962 320 D HN 0.136 nan 8.370 nan 0.000 0.490 321 G N -0.409 108.439 108.800 0.081 0.000 2.662 321 G HA2 -0.090 3.874 3.960 0.007 0.000 0.212 321 G HA3 -0.090 3.874 3.960 0.007 0.000 0.212 321 G C 1.258 176.197 174.900 0.065 0.000 1.141 321 G CA 0.239 45.362 45.100 0.038 0.000 0.797 321 G HN 0.453 nan 8.290 nan 0.000 0.531 322 F N 1.558 121.485 119.950 -0.037 0.000 2.529 322 F HA 0.015 4.546 4.527 0.007 0.000 0.297 322 F C 1.535 177.311 175.800 -0.040 0.000 1.114 322 F CA 0.341 58.323 58.000 -0.030 0.000 1.467 322 F CB -0.111 38.877 39.000 -0.020 0.000 1.096 322 F HN -0.038 nan 8.300 nan 0.000 0.586 323 V N 1.110 120.735 119.914 -0.481 0.000 3.141 323 V HA 0.010 4.134 4.120 0.007 0.000 0.265 323 V C 0.704 176.605 176.094 -0.321 0.000 1.126 323 V CA 0.866 62.850 62.300 -0.528 0.000 1.141 323 V CB -0.945 30.674 31.823 -0.340 0.000 0.743 323 V HN 0.374 nan 8.190 nan 0.000 0.492 324 I N -0.196 120.243 120.570 -0.219 0.000 2.610 324 I HA 0.388 4.562 4.170 0.007 0.000 0.289 324 I C -0.745 175.325 176.117 -0.077 0.000 1.163 324 I CA -0.183 61.030 61.300 -0.144 0.000 1.044 324 I CB 2.390 40.299 38.000 -0.152 0.000 1.251 324 I HN 0.065 nan 8.210 nan 0.000 0.424 325 Q N 4.375 124.143 119.800 -0.053 0.000 2.399 325 Q HA 0.545 4.889 4.340 0.007 0.000 0.276 325 Q C -1.065 174.931 176.000 -0.007 0.000 1.098 325 Q CA -0.695 55.099 55.803 -0.016 0.000 0.827 325 Q CB 2.540 31.274 28.738 -0.006 0.000 1.386 325 Q HN 0.650 nan 8.270 nan 0.000 0.443 326 D N -0.340 120.064 120.400 0.006 0.000 4.196 326 D HA -0.164 4.480 4.640 0.007 0.000 0.165 326 D C 0.553 176.860 176.300 0.011 0.000 1.013 326 D CA 0.637 54.643 54.000 0.009 0.000 1.036 326 D CB -0.403 40.400 40.800 0.005 0.000 0.604 326 D HN 0.436 nan 8.370 nan 0.000 0.660 327 R N 1.519 122.026 120.500 0.011 0.000 2.088 327 R HA 0.164 4.508 4.340 0.007 0.000 0.195 327 R C -0.165 176.145 176.300 0.017 0.000 1.137 327 R CA 1.792 57.900 56.100 0.014 0.000 1.057 327 R CB -0.977 29.332 30.300 0.014 0.000 0.748 327 R HN 0.628 nan 8.270 nan 0.000 0.511 328 E N 0.605 120.818 120.200 0.021 0.000 2.024 328 E HA -0.175 4.179 4.350 0.007 0.000 0.163 328 E C -0.782 175.823 176.600 0.009 0.000 1.490 328 E CA 0.944 57.354 56.400 0.017 0.000 0.586 328 E CB -1.077 28.631 29.700 0.015 0.000 1.041 328 E HN 0.611 nan 8.360 nan 0.000 0.296 329 T N -2.444 112.113 114.554 0.006 0.000 3.393 329 T HA 0.596 4.950 4.350 0.007 0.000 0.255 329 T C 0.637 175.355 174.700 0.030 0.000 1.008 329 T CA -0.088 62.022 62.100 0.017 0.000 1.053 329 T CB 1.210 70.082 68.868 0.006 0.000 1.120 329 T HN 0.282 nan 8.240 nan 0.000 0.538 330 A N 1.125 123.963 122.820 0.030 0.000 1.970 330 A HA 0.454 4.778 4.320 0.007 0.000 0.204 330 A C 1.686 179.300 177.584 0.051 0.000 1.325 330 A CA 0.071 52.127 52.037 0.032 0.000 0.767 330 A CB -0.361 18.647 19.000 0.013 0.000 0.949 330 A HN 0.438 nan 8.150 nan 0.000 0.481 331 L N 0.742 121.985 121.223 0.034 0.000 2.201 331 L HA -0.107 4.237 4.340 0.007 0.000 0.212 331 L C 1.956 178.859 176.870 0.055 0.000 1.105 331 L CA 1.794 56.651 54.840 0.030 0.000 0.775 331 L CB -0.632 41.437 42.059 0.017 0.000 0.913 331 L HN 0.469 nan 8.230 nan 0.000 0.440 332 D N -0.123 120.320 120.400 0.071 0.000 2.108 332 D HA -0.321 4.323 4.640 0.007 0.000 0.190 332 D C 2.066 178.432 176.300 0.111 0.000 0.995 332 D CA 1.311 55.361 54.000 0.082 0.000 0.834 332 D CB -0.226 40.623 40.800 0.082 0.000 0.967 332 D HN 0.210 nan 8.370 nan 0.000 0.446 333 F N 0.795 120.740 119.950 -0.008 0.000 2.257 333 F HA -0.088 4.444 4.527 0.007 0.000 0.302 333 F C 0.370 176.171 175.800 0.002 0.000 1.056 333 F CA 0.800 58.795 58.000 -0.008 0.000 1.353 333 F CB -0.271 38.717 39.000 -0.019 0.000 1.064 333 F HN -0.007 nan 8.300 nan 0.000 0.520 334 I N 0.664 121.189 120.570 -0.076 0.000 2.301 334 I HA 0.458 4.633 4.170 0.007 0.000 0.292 334 I C 0.711 176.791 176.117 -0.062 0.000 1.046 334 I CA -0.093 61.126 61.300 -0.134 0.000 1.282 334 I CB 0.213 38.181 38.000 -0.053 0.000 1.409 334 I HN 0.039 nan 8.210 nan 0.000 0.484 346 E N 2.365 122.572 120.200 0.010 0.000 2.435 346 E HA 0.005 4.359 4.350 0.007 0.000 0.195 346 E C 1.156 177.768 176.600 0.019 0.000 1.029 346 E CA 0.854 57.264 56.400 0.016 0.000 0.865 346 E CB 0.083 29.791 29.700 0.014 0.000 0.833 346 E HN 0.136 nan 8.360 nan 0.000 0.510 347 K N 1.217 121.620 120.400 0.005 0.000 2.097 347 K HA -0.096 4.228 4.320 0.007 0.000 0.205 347 K C 2.134 178.744 176.600 0.017 0.000 1.050 347 K CA 1.624 57.905 56.287 -0.009 0.000 0.938 347 K CB -0.159 32.315 32.500 -0.042 0.000 0.718 347 K HN 0.262 nan 8.250 nan 0.000 0.442 348 R N 0.428 120.945 120.500 0.030 0.000 2.276 348 R HA 0.079 4.423 4.340 0.007 0.000 0.203 348 R C 0.120 176.473 176.300 0.088 0.000 1.017 348 R CA 0.632 56.771 56.100 0.064 0.000 1.010 348 R CB -0.211 30.110 30.300 0.035 0.000 0.900 348 R HN 0.039 nan 8.270 nan 0.000 0.469 349 I N 1.660 122.272 120.570 0.071 0.000 2.448 349 I HA 0.167 4.341 4.170 0.007 0.000 0.284 349 I C 0.452 176.621 176.117 0.087 0.000 1.135 349 I CA -0.092 61.249 61.300 0.069 0.000 1.207 349 I CB 1.251 39.279 38.000 0.046 0.000 1.548 349 I HN 0.076 nan 8.210 nan 0.000 0.543 350 Q N 1.480 121.368 119.800 0.146 0.000 2.474 350 Q HA 0.170 4.514 4.340 0.007 0.000 0.191 350 Q C 0.336 176.451 176.000 0.192 0.000 0.700 350 Q CA 0.394 56.301 55.803 0.174 0.000 0.849 350 Q CB 0.172 29.016 28.738 0.177 0.000 1.232 350 Q HN 0.332 nan 8.270 nan 0.000 0.563 351 Y N -1.241 119.083 120.300 0.039 0.000 4.324 351 Y HA -0.314 4.241 4.550 0.007 0.000 0.224 351 Y C 0.344 176.258 175.900 0.023 0.000 1.113 351 Y CA 0.862 58.988 58.100 0.044 0.000 1.887 351 Y CB -1.469 37.018 38.460 0.045 0.000 1.602 351 Y HN 0.342 nan 8.280 nan 0.000 0.654 352 A N -1.052 121.804 122.820 0.059 0.000 1.730 352 A HA 0.223 4.547 4.320 0.007 0.000 0.160 352 A C 1.569 179.137 177.584 -0.025 0.000 1.746 352 A CA 0.246 52.288 52.037 0.008 0.000 1.283 352 A CB 0.037 19.056 19.000 0.032 0.000 0.995 352 A HN 0.095 nan 8.150 nan 0.000 0.764 353 K N 0.450 120.852 120.400 0.002 0.000 2.362 353 K HA -0.090 4.235 4.320 0.007 0.000 0.200 353 K C 0.728 177.329 176.600 0.002 0.000 1.046 353 K CA 1.275 57.562 56.287 0.000 0.000 0.952 353 K CB -0.067 32.444 32.500 0.019 0.000 0.753 353 K HN 0.407 nan 8.250 nan 0.000 0.466 354 D N 0.830 121.230 120.400 0.001 0.000 2.120 354 D HA -0.050 4.595 4.640 0.007 0.000 0.202 354 D C 1.740 178.013 176.300 -0.046 0.000 0.972 354 D CA 0.936 54.936 54.000 -0.001 0.000 0.837 354 D CB 0.029 40.844 40.800 0.025 0.000 0.989 354 D HN 0.156 nan 8.370 nan 0.000 0.469 355 I N 0.323 120.820 120.570 -0.121 0.000 2.761 355 I HA -0.095 4.080 4.170 0.007 0.000 0.261 355 I C 1.833 177.881 176.117 -0.115 0.000 1.198 355 I CA 0.422 61.609 61.300 -0.188 0.000 1.482 355 I CB 0.086 37.882 38.000 -0.341 0.000 1.100 355 I HN -0.068 nan 8.210 nan 0.000 0.445 356 L N -0.025 121.150 121.223 -0.081 0.000 2.591 356 L HA 0.042 4.386 4.340 0.007 0.000 0.228 356 L C 1.542 178.446 176.870 0.057 0.000 1.133 356 L CA 0.644 55.448 54.840 -0.060 0.000 0.880 356 L CB 0.040 42.007 42.059 -0.154 0.000 1.033 356 L HN 0.320 nan 8.230 nan 0.000 0.450 357 Q N -1.948 117.883 119.800 0.051 0.000 2.089 357 Q HA 0.080 4.424 4.340 0.007 0.000 0.227 357 Q C 1.454 177.486 176.000 0.053 0.000 0.774 357 Q CA -0.088 55.760 55.803 0.075 0.000 0.960 357 Q CB 0.971 29.753 28.738 0.073 0.000 1.179 357 Q HN 0.201 nan 8.270 nan 0.000 0.460 358 K N 0.082 120.505 120.400 0.037 0.000 2.190 358 K HA 0.040 4.364 4.320 0.007 0.000 0.202 358 K C 1.281 177.901 176.600 0.032 0.000 1.045 358 K CA 0.792 57.100 56.287 0.035 0.000 0.976 358 K CB 0.648 33.171 32.500 0.038 0.000 0.849 358 K HN -0.012 nan 8.250 nan 0.000 0.468 359 E N -0.182 120.030 120.200 0.021 0.000 2.256 359 E HA 0.013 4.367 4.350 0.007 0.000 0.198 359 E C 0.089 176.710 176.600 0.034 0.000 0.908 359 E CA -0.034 56.368 56.400 0.003 0.000 0.915 359 E CB -0.032 29.599 29.700 -0.116 0.000 0.890 359 E HN 0.066 nan 8.360 nan 0.000 0.484 360 F N 3.150 123.045 119.950 -0.091 0.000 2.502 360 F HA 0.159 4.690 4.527 0.007 0.000 0.371 360 F C 0.142 175.904 175.800 -0.063 0.000 1.083 360 F CA -0.709 57.251 58.000 -0.066 0.000 1.174 360 F CB 0.239 39.195 39.000 -0.073 0.000 1.096 360 F HN -0.151 nan 8.300 nan 0.000 0.545 361 L N 7.666 128.568 121.223 -0.535 0.000 3.823 361 L HA -0.224 4.120 4.340 0.007 0.000 0.525 361 L C -1.815 174.821 176.870 -0.391 0.000 1.247 361 L CA 0.123 54.621 54.840 -0.570 0.000 0.776 361 L CB -1.637 39.879 42.059 -0.906 0.000 1.443 361 L HN 0.562 nan 8.230 nan 0.000 0.831 362 P HA -0.126 nan 4.420 nan 0.000 0.223 362 P C 0.840 178.095 177.300 -0.075 0.000 1.144 362 P CA 1.496 64.554 63.100 -0.069 0.000 0.783 362 P CB -0.067 31.639 31.700 0.010 0.000 0.771 363 H N -1.181 117.809 119.070 -0.133 0.000 2.309 363 H HA 0.134 4.694 4.556 0.007 0.000 0.341 363 H C 1.387 176.563 175.328 -0.252 0.000 1.677 363 H CA -0.252 55.698 56.048 -0.163 0.000 1.440 363 H CB 0.127 29.801 29.762 -0.146 0.000 1.693 363 H HN -0.225 nan 8.280 nan 0.000 0.608 364 I N -2.239 118.133 120.570 -0.330 0.000 4.407 364 I HA -0.381 3.793 4.170 0.007 0.000 0.066 364 I C 0.853 176.698 176.117 -0.453 0.000 0.591 364 I CA 2.234 63.257 61.300 -0.462 0.000 1.050 364 I CB -2.058 35.583 38.000 -0.597 0.000 0.939 364 I HN 0.982 nan 8.210 nan 0.000 0.169 365 T N -1.452 112.881 114.554 -0.368 0.000 2.769 365 T HA 0.245 4.599 4.350 0.007 0.000 0.306 365 T C -0.827 173.777 174.700 -0.160 0.000 1.859 365 T CA 0.190 62.100 62.100 -0.317 0.000 1.001 365 T CB 0.599 69.075 68.868 -0.654 0.000 1.946 365 T HN 0.326 nan 8.240 nan 0.000 0.523 366 Q N 0.739 120.499 119.800 -0.067 0.000 2.127 366 Q HA 0.436 4.780 4.340 0.007 0.000 0.222 366 Q C 0.234 176.274 176.000 0.067 0.000 0.794 366 Q CA -0.200 55.608 55.803 0.008 0.000 1.010 366 Q CB 0.738 29.484 28.738 0.014 0.000 1.170 366 Q HN 0.492 nan 8.270 nan 0.000 0.479 367 L N 1.023 122.318 121.223 0.119 0.000 2.476 367 L HA 0.041 4.385 4.340 0.007 0.000 0.255 367 L C 1.886 178.877 176.870 0.201 0.000 1.218 367 L CA 0.240 55.195 54.840 0.193 0.000 0.819 367 L CB 0.404 42.653 42.059 0.317 0.000 1.119 367 L HN 0.203 nan 8.230 nan 0.000 0.485 368 E N 0.944 121.227 120.200 0.139 0.000 2.051 368 E HA -0.147 4.207 4.350 0.007 0.000 0.192 368 E C 1.241 177.888 176.600 0.078 0.000 0.991 368 E CA 1.180 57.634 56.400 0.090 0.000 0.799 368 E CB 0.001 29.730 29.700 0.049 0.000 0.748 368 E HN 0.838 nan 8.360 nan 0.000 0.449 369 G N 0.187 108.998 108.800 0.018 0.000 3.639 369 G HA2 0.233 4.197 3.960 0.007 0.000 0.279 369 G HA3 0.233 4.197 3.960 0.007 0.000 0.279 369 G C -0.690 173.939 174.900 -0.453 0.000 1.312 369 G CA -0.354 44.627 45.100 -0.198 0.000 1.355 369 G HN 0.008 nan 8.290 nan 0.000 0.595 370 F N -0.756 119.212 119.950 0.030 0.000 2.579 370 F HA 0.455 4.986 4.527 0.007 0.000 0.325 370 F C 0.478 176.315 175.800 0.061 0.000 1.162 370 F CA -0.811 57.212 58.000 0.038 0.000 0.946 370 F CB 2.492 41.504 39.000 0.021 0.000 1.211 370 F HN 0.107 nan 8.300 nan 0.000 0.447 371 E N 0.120 120.453 120.200 0.221 0.000 2.905 371 E HA -0.011 4.343 4.350 0.007 0.000 0.197 371 E C 1.728 178.474 176.600 0.243 0.000 1.016 371 E CA 0.632 57.145 56.400 0.189 0.000 1.307 371 E CB 0.142 29.913 29.700 0.120 0.000 1.255 371 E HN 0.431 nan 8.360 nan 0.000 0.527 372 S N 0.946 116.801 115.700 0.258 0.000 2.555 372 S HA 0.067 4.541 4.470 0.007 0.000 0.230 372 S C 1.715 176.565 174.600 0.416 0.000 0.978 372 S CA 0.227 58.664 58.200 0.396 0.000 0.934 372 S CB 0.025 63.465 63.200 0.401 0.000 0.766 372 S HN -0.002 nan 8.310 nan 0.000 0.533 373 R N 1.383 122.071 120.500 0.313 0.000 2.119 373 R HA 0.190 4.535 4.340 0.007 0.000 0.222 373 R C 1.866 178.322 176.300 0.260 0.000 1.088 373 R CA 0.791 57.030 56.100 0.231 0.000 0.984 373 R CB -0.102 30.352 30.300 0.257 0.000 0.884 373 R HN 0.507 nan 8.270 nan 0.000 0.447 374 K N -0.200 120.392 120.400 0.320 0.000 2.099 374 K HA 0.130 4.454 4.320 0.007 0.000 0.203 374 K C 2.141 179.070 176.600 0.548 0.000 1.047 374 K CA 0.772 57.294 56.287 0.391 0.000 0.963 374 K CB -0.053 32.713 32.500 0.444 0.000 0.759 374 K HN -0.009 nan 8.250 nan 0.000 0.451 375 A N 1.730 124.833 122.820 0.470 0.000 1.842 375 A HA -0.213 4.112 4.320 0.007 0.000 0.217 375 A C 1.992 179.920 177.584 0.574 0.000 1.206 375 A CA 1.658 53.981 52.037 0.477 0.000 0.630 375 A CB -1.202 17.832 19.000 0.057 0.000 0.839 375 A HN 0.226 nan 8.150 nan 0.000 0.447 376 F N -1.630 118.633 119.950 0.523 0.000 2.141 376 F HA -0.268 4.263 4.527 0.007 0.000 0.300 376 F C 2.048 178.343 175.800 0.825 0.000 1.079 376 F CA 2.110 60.494 58.000 0.640 0.000 1.264 376 F CB -0.505 38.671 39.000 0.294 0.000 1.011 376 F HN 0.340 nan 8.300 nan 0.000 0.487 377 F N -0.142 120.255 119.950 0.746 0.000 2.084 377 F HA -0.159 4.372 4.527 0.007 0.000 0.296 377 F C 2.168 178.274 175.800 0.510 0.000 1.111 377 F CA 1.066 59.436 58.000 0.617 0.000 1.224 377 F CB -0.743 38.481 39.000 0.374 0.000 0.991 377 F HN -0.119 nan 8.300 nan 0.000 0.471 378 L N 0.355 121.936 121.223 0.595 0.000 2.447 378 L HA -0.018 4.326 4.340 0.007 0.000 0.225 378 L C 2.002 179.140 176.870 0.446 0.000 1.148 378 L CA 1.871 56.964 54.840 0.421 0.000 0.808 378 L CB -1.343 40.956 42.059 0.399 0.000 0.928 378 L HN 0.202 nan 8.230 nan 0.000 0.448 379 G N -2.500 106.633 108.800 0.555 0.000 2.796 379 G HA2 -0.215 3.749 3.960 0.007 0.000 0.210 379 G HA3 -0.215 3.749 3.960 0.007 0.000 0.210 379 G C 1.078 176.216 174.900 0.397 0.000 1.146 379 G CA 0.331 45.715 45.100 0.474 0.000 0.779 379 G HN 0.509 nan 8.290 nan 0.000 0.535 380 Y N -0.117 120.328 120.300 0.243 0.000 2.485 380 Y HA 0.539 5.093 4.550 0.007 0.000 0.260 380 Y C 1.957 177.789 175.900 -0.113 0.000 1.173 380 Y CA -0.204 57.920 58.100 0.039 0.000 1.252 380 Y CB 0.398 38.797 38.460 -0.101 0.000 1.123 380 Y HN 0.111 nan 8.280 nan 0.000 0.524 381 M N -1.029 118.496 119.600 -0.125 0.000 2.514 381 M HA 0.078 4.562 4.480 0.007 0.000 0.258 381 M C 0.590 176.821 176.300 -0.115 0.000 1.159 381 M CA 0.526 55.711 55.300 -0.192 0.000 1.116 381 M CB 0.431 32.986 32.600 -0.075 0.000 1.333 381 M HN 0.173 nan 8.290 nan 0.000 0.487 382 I N -0.712 119.839 120.570 -0.032 0.000 3.081 382 I HA -0.003 4.171 4.170 0.007 0.000 0.274 382 I C 1.739 177.809 176.117 -0.078 0.000 1.178 382 I CA 0.799 62.086 61.300 -0.022 0.000 1.460 382 I CB -1.739 36.297 38.000 0.061 0.000 1.137 382 I HN 0.304 nan 8.210 nan 0.000 0.443 383 N N 1.498 120.141 118.700 -0.096 0.000 2.205 383 N HA -0.181 4.563 4.740 0.007 0.000 0.186 383 N C 1.826 177.217 175.510 -0.198 0.000 1.015 383 N CA 1.199 54.164 53.050 -0.142 0.000 0.862 383 N CB 0.170 38.581 38.487 -0.127 0.000 0.986 383 N HN 0.032 nan 8.380 nan 0.000 0.429 384 R N -0.030 120.282 120.500 -0.314 0.000 2.275 384 R HA 0.095 4.439 4.340 0.007 0.000 0.199 384 R C 1.838 178.013 176.300 -0.208 0.000 0.989 384 R CA 0.092 55.992 56.100 -0.334 0.000 1.016 384 R CB -0.628 29.340 30.300 -0.553 0.000 0.918 384 R HN 0.381 nan 8.270 nan 0.000 0.473 385 L N 0.200 121.329 121.223 -0.157 0.000 2.095 385 L HA 0.010 4.354 4.340 0.007 0.000 0.204 385 L C 1.891 178.694 176.870 -0.112 0.000 1.080 385 L CA 1.031 55.813 54.840 -0.096 0.000 0.759 385 L CB 0.020 42.045 42.059 -0.057 0.000 0.914 385 L HN 0.056 nan 8.230 nan 0.000 0.439 386 L N -1.602 119.547 121.223 -0.122 0.000 2.202 386 L HA -0.110 4.234 4.340 0.007 0.000 0.205 386 L C 2.387 179.178 176.870 -0.130 0.000 1.083 386 L CA -0.041 54.718 54.840 -0.136 0.000 0.790 386 L CB -0.543 41.446 42.059 -0.116 0.000 0.942 386 L HN 0.189 nan 8.230 nan 0.000 0.452 387 L N 0.117 121.269 121.223 -0.119 0.000 2.054 387 L HA -0.313 4.031 4.340 0.007 0.000 0.220 387 L C 1.630 178.447 176.870 -0.089 0.000 1.081 387 L CA 1.682 56.461 54.840 -0.102 0.000 0.780 387 L CB -0.852 41.144 42.059 -0.106 0.000 0.893 387 L HN 0.422 nan 8.230 nan 0.000 0.438 388 C N -0.121 119.127 119.300 -0.087 0.000 2.572 388 C HA 0.647 5.111 4.460 0.007 0.000 0.428 388 C C 1.111 176.065 174.990 -0.061 0.000 1.269 388 C CA 0.113 59.108 59.018 -0.039 0.000 1.640 388 C CB -0.923 26.808 27.740 -0.014 0.000 1.977 388 C HN 0.457 nan 8.230 nan 0.000 0.571 389 A N 1.465 124.182 122.820 -0.171 0.000 2.665 389 A HA 0.385 4.709 4.320 0.007 0.000 0.268 389 A C 0.681 178.167 177.584 -0.163 0.000 1.044 389 A CA -0.002 51.845 52.037 -0.316 0.000 0.993 389 A CB -0.063 18.537 19.000 -0.667 0.000 1.229 389 A HN 0.591 nan 8.150 nan 0.000 0.576 390 L N -1.513 119.646 121.223 -0.107 0.000 2.638 390 L HA 0.357 4.701 4.340 0.007 0.000 0.195 390 L C -0.652 176.188 176.870 -0.051 0.000 1.065 390 L CA 0.029 54.818 54.840 -0.084 0.000 0.859 390 L CB -0.499 41.491 42.059 -0.115 0.000 1.269 390 L HN 0.244 nan 8.230 nan 0.000 0.484 391 D N 2.450 122.820 120.400 -0.050 0.000 4.669 391 D HA -0.137 4.507 4.640 0.007 0.000 0.240 391 D C 0.011 176.294 176.300 -0.027 0.000 1.111 391 D CA 0.426 54.408 54.000 -0.029 0.000 1.179 391 D CB -0.476 40.320 40.800 -0.007 0.000 0.750 391 D HN 0.449 nan 8.370 nan 0.000 0.360 392 R N -0.720 119.762 120.500 -0.029 0.000 4.029 392 R HA -0.242 4.102 4.340 0.007 0.000 0.323 392 R C 0.169 176.454 176.300 -0.026 0.000 0.241 392 R CA 0.856 56.937 56.100 -0.033 0.000 1.076 392 R CB -1.150 29.120 30.300 -0.049 0.000 1.036 392 R HN 0.472 nan 8.270 nan 0.000 0.544 393 K N 2.386 122.766 120.400 -0.033 0.000 2.143 393 K HA 0.259 4.583 4.320 0.007 0.000 0.272 393 K C -0.663 175.920 176.600 -0.030 0.000 1.001 393 K CA -0.041 56.226 56.287 -0.032 0.000 0.915 393 K CB 0.594 33.067 32.500 -0.044 0.000 1.047 393 K HN 0.226 nan 8.250 nan 0.000 0.458 394 D N 0.921 121.305 120.400 -0.025 0.000 2.369 394 D HA -0.006 4.638 4.640 0.007 0.000 0.241 394 D C 0.159 176.437 176.300 -0.035 0.000 1.271 394 D CA -0.048 53.941 54.000 -0.019 0.000 0.942 394 D CB 0.420 41.214 40.800 -0.010 0.000 1.129 394 D HN 0.328 nan 8.370 nan 0.000 0.476 395 Q N 0.090 119.873 119.800 -0.028 0.000 2.454 395 Q HA 0.012 4.356 4.340 0.007 0.000 0.247 395 Q C -0.774 175.170 176.000 -0.095 0.000 1.028 395 Q CA -0.065 55.705 55.803 -0.056 0.000 0.910 395 Q CB 0.581 29.303 28.738 -0.026 0.000 1.276 395 Q HN 0.341 nan 8.270 nan 0.000 0.489 396 D N 2.317 122.602 120.400 -0.192 0.000 2.316 396 D HA 0.076 4.720 4.640 0.007 0.000 0.245 396 D C -1.083 175.118 176.300 -0.165 0.000 1.171 396 D CA -0.122 53.741 54.000 -0.228 0.000 0.856 396 D CB 0.897 41.481 40.800 -0.361 0.000 1.090 396 D HN 0.427 nan 8.370 nan 0.000 0.476 397 D N 1.402 121.767 120.400 -0.058 0.000 2.390 397 D HA 0.061 4.705 4.640 0.007 0.000 0.249 397 D C 1.107 177.414 176.300 0.011 0.000 1.144 397 D CA 0.001 54.009 54.000 0.012 0.000 0.880 397 D CB 0.794 41.636 40.800 0.070 0.000 1.182 397 D HN 0.221 nan 8.370 nan 0.000 0.451 398 R N 1.894 122.419 120.500 0.042 0.000 2.254 398 R HA 0.100 4.444 4.340 0.007 0.000 0.195 398 R C 0.421 176.726 176.300 0.010 0.000 0.957 398 R CA 0.485 56.624 56.100 0.066 0.000 1.024 398 R CB 0.465 30.846 30.300 0.135 0.000 0.952 398 R HN 0.458 nan 8.270 nan 0.000 0.484 399 D N -0.056 120.299 120.400 -0.074 0.000 2.349 399 D HA -0.050 4.594 4.640 0.007 0.000 0.214 399 D C 0.002 176.134 176.300 -0.280 0.000 1.063 399 D CA 0.127 54.025 54.000 -0.170 0.000 0.847 399 D CB 0.120 40.761 40.800 -0.266 0.000 0.933 399 D HN 0.176 nan 8.370 nan 0.000 0.513 400 H N 1.064 119.979 119.070 -0.258 0.000 3.226 400 H HA -0.103 4.457 4.556 0.007 0.000 0.260 400 H C 0.651 175.952 175.328 -0.046 0.000 0.967 400 H CA 0.072 56.041 56.048 -0.131 0.000 1.435 400 H CB -0.003 29.725 29.762 -0.056 0.000 1.533 400 H HN -0.002 nan 8.280 nan 0.000 0.525 401 F N 4.071 123.935 119.950 -0.143 0.000 2.333 401 F HA -0.060 4.471 4.527 0.007 0.000 0.300 401 F C 2.283 178.090 175.800 0.013 0.000 1.083 401 F CA 1.373 59.295 58.000 -0.130 0.000 1.395 401 F CB -0.249 38.575 39.000 -0.294 0.000 1.056 401 F HN 0.680 nan 8.300 nan 0.000 0.529 402 G N -0.451 108.516 108.800 0.278 0.000 2.448 402 G HA2 -0.241 3.723 3.960 0.007 0.000 0.219 402 G HA3 -0.241 3.723 3.960 0.007 0.000 0.219 402 G C 1.292 176.130 174.900 -0.103 0.000 1.127 402 G CA 0.343 45.521 45.100 0.130 0.000 0.766 402 G HN 0.308 nan 8.290 nan 0.000 0.552 403 K N 0.576 120.923 120.400 -0.089 0.000 2.965 403 K HA 0.284 4.608 4.320 0.007 0.000 0.216 403 K C -0.423 176.066 176.600 -0.185 0.000 1.164 403 K CA 0.030 56.207 56.287 -0.184 0.000 1.153 403 K CB 0.430 32.830 32.500 -0.167 0.000 1.045 403 K HN 0.147 nan 8.250 nan 0.000 0.460 404 K N 0.821 121.050 120.400 -0.286 0.000 2.502 404 K HA 0.433 4.757 4.320 0.007 0.000 0.257 404 K C -0.665 175.693 176.600 -0.405 0.000 0.938 404 K CA -1.058 55.033 56.287 -0.328 0.000 0.819 404 K CB 2.167 34.442 32.500 -0.374 0.000 1.333 404 K HN -0.089 nan 8.250 nan 0.000 0.434 405 R N 1.578 121.910 120.500 -0.280 0.000 2.803 405 R HA 0.545 4.889 4.340 0.007 0.000 0.276 405 R C -0.803 175.399 176.300 -0.165 0.000 0.978 405 R CA -0.892 55.075 56.100 -0.221 0.000 0.939 405 R CB 1.224 31.436 30.300 -0.146 0.000 1.179 405 R HN 0.518 nan 8.270 nan 0.000 0.472 406 L N 1.999 123.151 121.223 -0.120 0.000 2.298 406 L HA 0.302 4.646 4.340 0.007 0.000 0.284 406 L C -0.425 176.424 176.870 -0.036 0.000 1.013 406 L CA -0.826 53.976 54.840 -0.064 0.000 0.824 406 L CB 1.651 43.687 42.059 -0.039 0.000 1.221 406 L HN 0.281 nan 8.230 nan 0.000 0.418 407 D N 4.200 124.581 120.400 -0.032 0.000 2.338 407 D HA 0.271 4.915 4.640 0.007 0.000 0.255 407 D C -0.159 176.122 176.300 -0.031 0.000 1.237 407 D CA 0.072 54.060 54.000 -0.020 0.000 0.883 407 D CB 1.205 41.993 40.800 -0.020 0.000 1.087 407 D HN 0.105 nan 8.370 nan 0.000 0.485 408 L N 1.344 122.564 121.223 -0.006 0.000 2.331 408 L HA 0.360 4.704 4.340 0.007 0.000 0.268 408 L C 1.872 178.750 176.870 0.013 0.000 1.015 408 L CA -0.607 54.234 54.840 0.003 0.000 0.807 408 L CB 0.916 42.995 42.059 0.033 0.000 1.293 408 L HN 0.370 nan 8.230 nan 0.000 0.451 409 A N 1.911 124.754 122.820 0.039 0.000 1.968 409 A HA -0.294 4.030 4.320 0.007 0.000 0.227 409 A C 1.907 179.503 177.584 0.020 0.000 1.381 409 A CA 2.543 54.625 52.037 0.075 0.000 0.697 409 A CB -1.395 17.771 19.000 0.278 0.000 0.836 409 A HN 0.954 nan 8.150 nan 0.000 0.497 410 G N -0.352 108.484 108.800 0.061 0.000 2.910 410 G HA2 -0.151 3.813 3.960 0.007 0.000 0.206 410 G HA3 -0.151 3.813 3.960 0.007 0.000 0.206 410 G C -0.359 174.533 174.900 -0.013 0.000 1.406 410 G CA 1.270 46.390 45.100 0.034 0.000 0.816 410 G HN 0.484 nan 8.290 nan 0.000 0.669 411 P HA -0.012 nan 4.420 nan 0.000 0.224 411 P C 1.854 179.222 177.300 0.114 0.000 1.142 411 P CA 0.620 63.781 63.100 0.102 0.000 0.778 411 P CB -0.074 31.677 31.700 0.085 0.000 0.764 412 L N -1.777 119.502 121.223 0.092 0.000 2.072 412 L HA -0.096 4.248 4.340 0.007 0.000 0.205 412 L C 2.186 179.309 176.870 0.422 0.000 1.079 412 L CA 1.237 56.222 54.840 0.242 0.000 0.752 412 L CB -0.678 41.390 42.059 0.015 0.000 0.906 412 L HN -0.026 nan 8.230 nan 0.000 0.436 413 L N -0.903 120.354 121.223 0.056 0.000 2.395 413 L HA -0.025 4.319 4.340 0.007 0.000 0.218 413 L C 2.679 179.552 176.870 0.006 0.000 1.130 413 L CA 0.458 55.219 54.840 -0.132 0.000 0.826 413 L CB -0.567 41.014 42.059 -0.797 0.000 0.941 413 L HN 0.174 nan 8.230 nan 0.000 0.451 414 A N 1.134 124.017 122.820 0.105 0.000 1.835 414 A HA -0.262 4.062 4.320 0.007 0.000 0.215 414 A C 2.233 179.956 177.584 0.232 0.000 1.199 414 A CA 1.729 53.962 52.037 0.327 0.000 0.615 414 A CB -0.711 18.451 19.000 0.271 0.000 0.838 414 A HN 0.562 nan 8.150 nan 0.000 0.444 415 Q N -0.814 119.087 119.800 0.169 0.000 2.439 415 Q HA -0.026 4.319 4.340 0.007 0.000 0.211 415 Q C 1.660 177.681 176.000 0.035 0.000 0.978 415 Q CA 1.526 57.398 55.803 0.115 0.000 0.897 415 Q CB -0.369 28.441 28.738 0.120 0.000 0.956 415 Q HN 0.504 nan 8.270 nan 0.000 0.483 416 L N -0.742 120.471 121.223 -0.016 0.000 2.145 416 L HA 0.154 4.498 4.340 0.007 0.000 0.201 416 L C 1.951 178.788 176.870 -0.055 0.000 1.075 416 L CA 1.036 55.758 54.840 -0.197 0.000 0.773 416 L CB -0.317 41.415 42.059 -0.545 0.000 0.936 416 L HN 0.210 nan 8.230 nan 0.000 0.451 417 F N 0.504 120.446 119.950 -0.015 0.000 2.134 417 F HA -0.225 4.306 4.527 0.007 0.000 0.299 417 F C 2.355 178.192 175.800 0.061 0.000 1.097 417 F CA 1.679 59.710 58.000 0.051 0.000 1.264 417 F CB -0.088 39.009 39.000 0.160 0.000 1.001 417 F HN -0.022 nan 8.300 nan 0.000 0.479 418 K N -0.447 120.115 120.400 0.270 0.000 2.000 418 K HA -0.235 4.089 4.320 0.007 0.000 0.218 418 K C 1.899 178.546 176.600 0.079 0.000 1.053 418 K CA 2.508 58.906 56.287 0.184 0.000 0.946 418 K CB -0.977 31.604 32.500 0.135 0.000 0.723 418 K HN 0.259 nan 8.250 nan 0.000 0.446 419 T N 2.129 116.685 114.554 0.004 0.000 2.720 419 T HA -0.149 4.205 4.350 0.007 0.000 0.268 419 T C 1.981 176.616 174.700 -0.110 0.000 1.037 419 T CA 1.243 63.307 62.100 -0.060 0.000 1.144 419 T CB -0.213 68.599 68.868 -0.093 0.000 0.864 419 T HN 0.127 nan 8.240 nan 0.000 0.444 420 L N -0.594 120.530 121.223 -0.165 0.000 2.109 420 L HA 0.065 4.409 4.340 0.007 0.000 0.207 420 L C 2.277 179.010 176.870 -0.229 0.000 1.086 420 L CA 0.917 55.610 54.840 -0.245 0.000 0.760 420 L CB -0.404 41.440 42.059 -0.359 0.000 0.910 420 L HN 0.169 nan 8.230 nan 0.000 0.437 421 F N 0.980 120.695 119.950 -0.391 0.000 2.186 421 F HA -0.148 4.383 4.527 0.007 0.000 0.299 421 F C 2.147 177.829 175.800 -0.195 0.000 1.090 421 F CA 1.437 59.248 58.000 -0.315 0.000 1.307 421 F CB -0.105 38.791 39.000 -0.174 0.000 1.019 421 F HN -0.148 nan 8.300 nan 0.000 0.489 422 K N 0.082 120.383 120.400 -0.165 0.000 2.522 422 K HA -0.061 4.263 4.320 0.007 0.000 0.194 422 K C 1.523 178.010 176.600 -0.190 0.000 1.026 422 K CA 0.151 56.307 56.287 -0.218 0.000 1.119 422 K CB 0.190 32.631 32.500 -0.099 0.000 0.856 422 K HN 0.135 nan 8.250 nan 0.000 0.513 423 K N 1.407 121.691 120.400 -0.193 0.000 2.242 423 K HA 0.000 4.325 4.320 0.007 0.000 0.200 423 K C 1.778 178.280 176.600 -0.164 0.000 1.050 423 K CA 0.490 56.682 56.287 -0.159 0.000 0.981 423 K CB 0.117 32.527 32.500 -0.150 0.000 0.795 423 K HN 0.187 nan 8.250 nan 0.000 0.477 424 L N -1.626 119.466 121.223 -0.219 0.000 2.446 424 L HA 0.230 4.574 4.340 0.007 0.000 0.219 424 L C 1.863 178.611 176.870 -0.203 0.000 1.116 424 L CA 1.016 55.739 54.840 -0.196 0.000 0.844 424 L CB -0.552 41.387 42.059 -0.200 0.000 0.970 424 L HN 0.011 nan 8.230 nan 0.000 0.457 425 T N 1.083 115.453 114.554 -0.305 0.000 2.951 425 T HA -0.123 4.231 4.350 0.007 0.000 0.268 425 T C 1.576 176.220 174.700 -0.094 0.000 1.073 425 T CA 1.737 63.689 62.100 -0.246 0.000 1.134 425 T CB -0.094 68.542 68.868 -0.387 0.000 0.884 425 T HN 0.660 nan 8.240 nan 0.000 0.479 426 K N -0.369 119.970 120.400 -0.102 0.000 2.410 426 K HA 0.182 4.506 4.320 0.007 0.000 0.200 426 K C 0.985 177.596 176.600 0.018 0.000 1.023 426 K CA 0.360 56.620 56.287 -0.045 0.000 1.149 426 K CB 0.372 32.817 32.500 -0.091 0.000 0.859 426 K HN 0.080 nan 8.250 nan 0.000 0.514 427 D N -0.059 120.345 120.400 0.007 0.000 2.454 427 D HA 0.087 4.731 4.640 0.007 0.000 0.219 427 D C 1.424 177.766 176.300 0.070 0.000 1.081 427 D CA 0.015 54.032 54.000 0.029 0.000 0.867 427 D CB 0.383 41.168 40.800 -0.025 0.000 1.054 427 D HN 0.091 nan 8.370 nan 0.000 0.500 428 I N 0.444 121.052 120.570 0.063 0.000 2.286 428 I HA -0.070 4.105 4.170 0.007 0.000 0.245 428 I C 1.912 178.127 176.117 0.163 0.000 1.104 428 I CA 0.725 62.076 61.300 0.085 0.000 1.397 428 I CB -1.032 37.015 38.000 0.079 0.000 1.072 428 I HN 0.046 nan 8.210 nan 0.000 0.417 429 F N 1.568 121.529 119.950 0.018 0.000 2.095 429 F HA -0.212 4.319 4.527 0.007 0.000 0.298 429 F C 2.811 178.635 175.800 0.039 0.000 1.104 429 F CA 1.789 59.803 58.000 0.022 0.000 1.232 429 F CB -0.292 38.710 39.000 0.003 0.000 0.987 429 F HN -0.035 nan 8.300 nan 0.000 0.475 430 R N -1.529 119.107 120.500 0.227 0.000 2.189 430 R HA -0.199 4.145 4.340 0.007 0.000 0.223 430 R C 2.005 178.365 176.300 0.101 0.000 1.092 430 R CA 1.165 57.347 56.100 0.137 0.000 0.989 430 R CB -0.450 29.921 30.300 0.118 0.000 0.876 430 R HN 0.469 nan 8.270 nan 0.000 0.457 431 Y N -0.546 119.749 120.300 -0.008 0.000 2.448 431 Y HA 0.017 4.571 4.550 0.007 0.000 0.289 431 Y C 1.992 177.861 175.900 -0.052 0.000 1.114 431 Y CA 0.809 58.894 58.100 -0.025 0.000 1.235 431 Y CB 0.194 38.643 38.460 -0.018 0.000 1.045 431 Y HN -0.050 nan 8.280 nan 0.000 0.554 432 M N -0.190 119.467 119.600 0.095 0.000 2.492 432 M HA -0.149 4.335 4.480 0.007 0.000 0.262 432 M C 1.687 177.912 176.300 -0.126 0.000 1.090 432 M CA 1.379 56.665 55.300 -0.024 0.000 1.110 432 M CB 0.158 32.696 32.600 -0.104 0.000 1.407 432 M HN 0.294 nan 8.290 nan 0.000 0.470 433 Q N -0.808 118.913 119.800 -0.133 0.000 2.163 433 Q HA -0.051 4.294 4.340 0.007 0.000 0.198 433 Q C 1.905 177.836 176.000 -0.115 0.000 0.954 433 Q CA 0.928 56.655 55.803 -0.127 0.000 0.851 433 Q CB 0.100 28.784 28.738 -0.089 0.000 0.928 433 Q HN 0.461 nan 8.270 nan 0.000 0.459 434 R N -0.058 120.355 120.500 -0.145 0.000 2.148 434 R HA -0.058 4.286 4.340 0.007 0.000 0.227 434 R C 2.191 178.383 176.300 -0.180 0.000 1.103 434 R CA 1.505 57.503 56.100 -0.171 0.000 0.983 434 R CB -0.124 30.030 30.300 -0.242 0.000 0.874 434 R HN 0.231 nan 8.270 nan 0.000 0.451 435 T N 0.964 115.402 114.554 -0.193 0.000 2.595 435 T HA -0.136 4.218 4.350 0.007 0.000 0.264 435 T C 1.183 175.825 174.700 -0.096 0.000 1.058 435 T CA 1.620 63.634 62.100 -0.143 0.000 1.166 435 T CB -0.665 68.145 68.868 -0.097 0.000 0.863 435 T HN 0.269 nan 8.240 nan 0.000 0.415 436 V N 0.481 120.343 119.914 -0.088 0.000 5.068 436 V HA -0.228 3.897 4.120 0.007 0.000 0.226 436 V C -0.177 175.885 176.094 -0.054 0.000 0.692 436 V CA 0.776 63.035 62.300 -0.068 0.000 0.667 436 V CB -2.374 29.411 31.823 -0.064 0.000 0.467 436 V HN 0.608 nan 8.190 nan 0.000 0.700 447 A N 4.034 126.606 122.820 -0.413 0.000 1.467 447 A HA -0.246 4.078 4.320 0.007 0.000 0.224 447 A C 0.584 177.844 177.584 -0.540 0.000 0.387 447 A CA 1.720 53.238 52.037 -0.866 0.000 1.098 447 A CB -2.141 16.498 19.000 -0.600 0.000 1.464 447 A HN 0.950 nan 8.150 nan 0.000 0.719 448 I N 1.491 121.889 120.570 -0.287 0.000 2.581 448 I HA 0.091 4.266 4.170 0.007 0.000 0.285 448 I C 0.431 176.430 176.117 -0.198 0.000 1.129 448 I CA 0.403 61.584 61.300 -0.198 0.000 1.397 448 I CB -0.495 37.423 38.000 -0.138 0.000 1.399 448 I HN 0.502 nan 8.210 nan 0.000 0.537 449 N N 5.780 124.374 118.700 -0.177 0.000 2.602 449 N HA 0.310 5.054 4.740 0.007 0.000 0.238 449 N C 0.785 176.195 175.510 -0.168 0.000 1.084 449 N CA -0.110 52.852 53.050 -0.146 0.000 0.952 449 N CB 1.214 39.639 38.487 -0.104 0.000 1.244 449 N HN 0.662 nan 8.380 nan 0.000 0.512 450 A N 3.986 126.671 122.820 -0.225 0.000 2.015 450 A HA -0.105 4.219 4.320 0.007 0.000 0.219 450 A C 2.063 179.539 177.584 -0.180 0.000 1.163 450 A CA 0.841 52.691 52.037 -0.312 0.000 0.646 450 A CB -0.354 18.253 19.000 -0.655 0.000 0.806 450 A HN 0.615 nan 8.150 nan 0.000 0.448 451 K N 0.202 120.540 120.400 -0.102 0.000 2.160 451 K HA -0.180 4.144 4.320 0.007 0.000 0.206 451 K C 1.771 178.339 176.600 -0.052 0.000 1.047 451 K CA 2.020 58.283 56.287 -0.040 0.000 0.930 451 K CB -0.706 31.787 32.500 -0.012 0.000 0.720 451 K HN 0.501 nan 8.250 nan 0.000 0.450 452 T N 2.009 116.512 114.554 -0.085 0.000 2.536 452 T HA -0.210 4.144 4.350 0.007 0.000 0.263 452 T C 2.001 176.632 174.700 -0.114 0.000 1.115 452 T CA 2.224 64.262 62.100 -0.103 0.000 1.180 452 T CB -0.316 68.472 68.868 -0.134 0.000 0.864 452 T HN 0.277 nan 8.240 nan 0.000 0.419 453 I N 1.113 121.600 120.570 -0.139 0.000 2.546 453 I HA -0.121 4.053 4.170 0.007 0.000 0.255 453 I C 2.620 178.699 176.117 -0.063 0.000 1.163 453 I CA 0.925 62.127 61.300 -0.163 0.000 1.457 453 I CB -0.703 37.168 38.000 -0.215 0.000 1.092 453 I HN 0.333 nan 8.210 nan 0.000 0.434 454 T N 0.332 114.872 114.554 -0.024 0.000 2.668 454 T HA -0.160 4.194 4.350 0.007 0.000 0.262 454 T C 2.088 176.817 174.700 0.049 0.000 1.045 454 T CA 1.920 64.045 62.100 0.042 0.000 1.152 454 T CB -0.450 68.457 68.868 0.065 0.000 0.864 454 T HN 0.491 nan 8.240 nan 0.000 0.419 455 S N 1.378 117.099 115.700 0.034 0.000 2.428 455 S HA 0.088 4.562 4.470 0.007 0.000 0.230 455 S C 2.397 177.035 174.600 0.064 0.000 1.014 455 S CA 0.921 59.157 58.200 0.060 0.000 0.957 455 S CB -0.991 62.244 63.200 0.057 0.000 0.784 455 S HN 0.526 nan 8.310 nan 0.000 0.499 456 G N 1.707 110.502 108.800 -0.007 0.000 2.422 456 G HA2 -0.005 3.959 3.960 0.007 0.000 0.218 456 G HA3 -0.005 3.959 3.960 0.007 0.000 0.218 456 G C 1.397 176.268 174.900 -0.048 0.000 1.146 456 G CA 0.710 45.772 45.100 -0.063 0.000 0.769 456 G HN 0.504 nan 8.290 nan 0.000 0.547 457 L N -0.384 120.826 121.223 -0.022 0.000 2.313 457 L HA 0.121 4.465 4.340 0.007 0.000 0.214 457 L C 2.844 179.762 176.870 0.081 0.000 1.119 457 L CA 0.528 55.372 54.840 0.006 0.000 0.809 457 L CB -0.047 42.054 42.059 0.068 0.000 0.933 457 L HN 0.133 nan 8.230 nan 0.000 0.449 458 K N -0.617 119.848 120.400 0.109 0.000 1.965 458 K HA -0.231 4.093 4.320 0.007 0.000 0.214 458 K C 2.009 178.703 176.600 0.157 0.000 1.042 458 K CA 1.797 58.163 56.287 0.131 0.000 0.950 458 K CB -0.648 31.923 32.500 0.118 0.000 0.733 458 K HN 0.088 nan 8.250 nan 0.000 0.441 459 Y N 1.471 121.787 120.300 0.027 0.000 2.073 459 Y HA -0.432 4.122 4.550 0.007 0.000 0.270 459 Y C 2.221 178.142 175.900 0.036 0.000 1.226 459 Y CA 2.009 60.123 58.100 0.023 0.000 1.117 459 Y CB -0.255 38.201 38.460 -0.007 0.000 0.939 459 Y HN 0.242 nan 8.280 nan 0.000 0.504 460 A N -0.411 122.595 122.820 0.311 0.000 1.845 460 A HA -0.198 4.126 4.320 0.007 0.000 0.215 460 A C 1.944 179.745 177.584 0.362 0.000 1.195 460 A CA 1.751 53.907 52.037 0.199 0.000 0.616 460 A CB -1.117 17.710 19.000 -0.289 0.000 0.832 460 A HN 0.456 nan 8.150 nan 0.000 0.443 461 L N -0.871 120.532 121.223 0.300 0.000 2.551 461 L HA 0.177 4.521 4.340 0.007 0.000 0.228 461 L C 2.257 179.244 176.870 0.195 0.000 1.153 461 L CA 1.233 56.268 54.840 0.324 0.000 0.851 461 L CB -0.575 41.604 42.059 0.200 0.000 0.959 461 L HN 0.400 nan 8.230 nan 0.000 0.451 462 A N -2.522 120.390 122.820 0.154 0.000 2.085 462 A HA 0.070 4.394 4.320 0.007 0.000 0.208 462 A C 2.024 179.635 177.584 0.044 0.000 1.191 462 A CA 1.030 53.117 52.037 0.084 0.000 0.799 462 A CB -0.225 18.803 19.000 0.046 0.000 0.877 462 A HN 0.391 nan 8.150 nan 0.000 0.473 463 T N -1.773 112.810 114.554 0.049 0.000 2.983 463 T HA 0.367 4.721 4.350 0.007 0.000 0.250 463 T C 1.607 176.357 174.700 0.082 0.000 1.037 463 T CA 1.133 63.245 62.100 0.019 0.000 1.142 463 T CB -0.062 68.788 68.868 -0.031 0.000 0.876 463 T HN 1.397 nan 8.240 nan 0.000 0.455 464 G N 2.014 110.908 108.800 0.156 0.000 2.175 464 G HA2 -0.213 3.751 3.960 0.007 0.000 0.244 464 G HA3 -0.213 3.751 3.960 0.007 0.000 0.244 464 G C -0.113 174.896 174.900 0.183 0.000 0.982 464 G CA -0.361 44.818 45.100 0.132 0.000 0.641 464 G HN 0.468 nan 8.290 nan 0.000 0.527 465 N N 0.790 119.636 118.700 0.242 0.000 2.602 465 N HA 0.171 4.915 4.740 0.007 0.000 0.238 465 N C -0.323 175.401 175.510 0.357 0.000 1.084 465 N CA -0.410 52.799 53.050 0.265 0.000 0.952 465 N CB 0.250 38.895 38.487 0.263 0.000 1.244 465 N HN 0.449 nan 8.380 nan 0.000 0.512 466 W N 3.058 124.390 121.300 0.054 0.000 2.598 466 W HA 0.292 4.956 4.660 0.007 0.000 0.396 466 W C 0.386 176.913 176.519 0.014 0.000 1.142 466 W CA -0.152 57.211 57.345 0.031 0.000 1.568 466 W CB 0.080 29.546 29.460 0.009 0.000 1.637 466 W HN 0.583 nan 8.180 nan 0.000 0.417 467 G N 2.493 111.217 108.800 -0.125 0.000 2.649 467 G HA2 0.002 3.966 3.960 0.007 0.000 0.078 467 G HA3 0.002 3.966 3.960 0.007 0.000 0.078 467 G C -0.611 174.119 174.900 -0.284 0.000 1.110 467 G CA 0.037 45.024 45.100 -0.188 0.000 1.269 467 G HN 0.376 nan 8.290 nan 0.000 0.581 468 E N -1.702 118.306 120.200 -0.320 0.000 3.554 468 E HA 0.114 4.468 4.350 0.007 0.000 0.211 468 E C 1.700 177.918 176.600 -0.636 0.000 1.225 468 E CA 0.567 56.685 56.400 -0.471 0.000 1.019 468 E CB -0.262 29.258 29.700 -0.301 0.000 3.139 468 E HN 0.402 nan 8.360 nan 0.000 0.650 469 Q N 0.534 120.122 119.800 -0.353 0.000 2.391 469 Q HA 0.166 4.510 4.340 0.007 0.000 0.211 469 Q C 1.505 177.429 176.000 -0.126 0.000 0.908 469 Q CA 0.344 56.002 55.803 -0.242 0.000 0.920 469 Q CB 0.463 29.113 28.738 -0.147 0.000 1.056 469 Q HN 0.042 nan 8.270 nan 0.000 0.523 470 K N 1.321 121.654 120.400 -0.112 0.000 2.029 470 K HA 0.015 4.339 4.320 0.007 0.000 0.205 470 K C 0.834 177.427 176.600 -0.012 0.000 1.042 470 K CA 0.758 57.015 56.287 -0.050 0.000 0.949 470 K CB 0.099 32.571 32.500 -0.048 0.000 0.740 470 K HN 0.052 nan 8.250 nan 0.000 0.442 471 K N -0.803 119.594 120.400 -0.005 0.000 3.274 471 K HA -0.280 4.044 4.320 0.007 0.000 0.305 471 K C 0.786 177.407 176.600 0.036 0.000 1.225 471 K CA 0.462 56.776 56.287 0.044 0.000 0.904 471 K CB -0.929 31.621 32.500 0.084 0.000 1.227 471 K HN 0.357 nan 8.250 nan 0.000 0.453 472 A N 0.153 122.983 122.820 0.017 0.000 1.903 472 A HA -0.011 4.313 4.320 0.007 0.000 0.213 472 A C 1.778 179.374 177.584 0.020 0.000 1.185 472 A CA 1.132 53.178 52.037 0.015 0.000 0.628 472 A CB -0.185 18.817 19.000 0.004 0.000 0.830 472 A HN 0.334 nan 8.150 nan 0.000 0.446 473 M N 0.654 120.264 119.600 0.017 0.000 2.260 473 M HA -0.180 4.304 4.480 0.007 0.000 0.261 473 M C 1.647 177.976 176.300 0.048 0.000 1.066 473 M CA 1.455 56.772 55.300 0.028 0.000 1.082 473 M CB -0.639 31.974 32.600 0.022 0.000 1.388 473 M HN 0.886 nan 8.290 nan 0.000 0.419 474 S N -2.303 113.430 115.700 0.055 0.000 4.158 474 S HA -0.385 4.089 4.470 0.007 0.000 0.553 474 S C 1.029 175.690 174.600 0.102 0.000 1.866 474 S CA 1.076 59.318 58.200 0.070 0.000 4.249 474 S CB -1.878 61.353 63.200 0.050 0.000 0.211 474 S HN 0.587 nan 8.310 nan 0.000 0.455 475 S N 1.573 117.325 115.700 0.088 0.000 3.477 475 S HA -0.308 4.166 4.470 0.007 0.000 0.357 475 S C 1.199 175.847 174.600 0.080 0.000 1.083 475 S CA 1.477 59.729 58.200 0.087 0.000 1.042 475 S CB -1.118 62.162 63.200 0.134 0.000 0.911 475 S HN 0.764 nan 8.310 nan 0.000 0.490 476 R N 1.344 121.886 120.500 0.070 0.000 2.159 476 R HA -0.193 4.151 4.340 0.007 0.000 0.252 476 R C 1.493 177.818 176.300 0.042 0.000 1.144 476 R CA 1.558 57.695 56.100 0.063 0.000 0.961 476 R CB -0.560 29.768 30.300 0.046 0.000 0.877 476 R HN 0.611 nan 8.270 nan 0.000 0.444 477 A N 2.088 124.920 122.820 0.020 0.000 2.858 477 A HA 0.084 4.408 4.320 0.007 0.000 0.290 477 A C 0.736 178.309 177.584 -0.018 0.000 1.683 477 A CA 0.612 52.647 52.037 -0.003 0.000 1.180 477 A CB -1.263 17.729 19.000 -0.014 0.000 0.954 477 A HN 0.472 nan 8.150 nan 0.000 0.592 478 G N 1.810 110.608 108.800 -0.004 0.000 2.844 478 G HA2 0.005 3.969 3.960 0.007 0.000 0.338 478 G HA3 0.005 3.969 3.960 0.007 0.000 0.338 478 G C 0.807 175.668 174.900 -0.065 0.000 0.196 478 G CA 0.237 45.331 45.100 -0.010 0.000 1.215 478 G HN 1.110 nan 8.290 nan 0.000 0.383 479 V N 1.973 121.816 119.914 -0.117 0.000 2.667 479 V HA -0.024 4.100 4.120 0.007 0.000 0.252 479 V C 1.849 177.790 176.094 -0.255 0.000 1.065 479 V CA 1.714 63.843 62.300 -0.286 0.000 1.083 479 V CB -0.537 30.923 31.823 -0.605 0.000 0.692 479 V HN 0.958 nan 8.190 nan 0.000 0.468 480 S N 0.997 116.624 115.700 -0.122 0.000 2.448 480 S HA 0.519 4.994 4.470 0.007 0.000 0.320 480 S C -0.502 174.111 174.600 0.021 0.000 1.071 480 S CA -0.663 57.514 58.200 -0.038 0.000 1.113 480 S CB 0.866 64.091 63.200 0.041 0.000 0.972 480 S HN 0.518 nan 8.310 nan 0.000 0.465 481 Q N 1.830 121.663 119.800 0.055 0.000 2.306 481 Q HA 0.393 4.737 4.340 0.007 0.000 0.265 481 Q C 0.393 176.424 176.000 0.052 0.000 1.022 481 Q CA -1.089 54.770 55.803 0.092 0.000 0.853 481 Q CB 2.088 30.952 28.738 0.210 0.000 1.327 481 Q HN 0.775 nan 8.270 nan 0.000 0.449 482 V N 0.741 120.658 119.914 0.005 0.000 3.299 482 V HA 0.123 4.247 4.120 0.007 0.000 0.369 482 V C 0.795 176.799 176.094 -0.150 0.000 1.245 482 V CA 0.121 62.397 62.300 -0.040 0.000 1.459 482 V CB -1.933 29.874 31.823 -0.026 0.000 1.203 482 V HN 0.827 nan 8.190 nan 0.000 0.451 483 L N 0.034 121.105 121.223 -0.253 0.000 7.103 483 L HA -0.300 4.044 4.340 0.007 0.000 0.158 483 L C 0.289 176.793 176.870 -0.611 0.000 1.238 483 L CA 1.751 56.285 54.840 -0.511 0.000 1.517 483 L CB -0.197 41.636 42.059 -0.376 0.000 2.647 483 L HN 0.914 nan 8.230 nan 0.000 1.080 484 N N -0.484 117.934 118.700 -0.470 0.000 2.699 484 N HA 0.364 5.108 4.740 0.007 0.000 0.271 484 N C -1.322 174.104 175.510 -0.140 0.000 1.216 484 N CA -0.557 52.331 53.050 -0.270 0.000 0.844 484 N CB 0.838 39.192 38.487 -0.222 0.000 1.462 484 N HN 0.399 nan 8.380 nan 0.000 0.555 485 R N 2.723 123.157 120.500 -0.111 0.000 3.752 485 R HA 0.347 4.692 4.340 0.007 0.000 0.291 485 R C -0.493 175.634 176.300 -0.288 0.000 1.433 485 R CA -0.245 55.798 56.100 -0.095 0.000 1.518 485 R CB -0.645 29.609 30.300 -0.076 0.000 1.413 485 R HN 0.652 nan 8.270 nan 0.000 0.676 486 Y N -1.493 118.665 120.300 -0.236 0.000 2.594 486 Y HA 0.348 4.902 4.550 0.007 0.000 0.283 486 Y C 0.238 176.067 175.900 -0.118 0.000 1.140 486 Y CA 0.643 58.587 58.100 -0.259 0.000 1.261 486 Y CB 1.169 39.525 38.460 -0.173 0.000 1.358 486 Y HN 0.012 nan 8.280 nan 0.000 0.513 487 T N -0.909 113.728 114.554 0.139 0.000 2.896 487 T HA 0.113 4.467 4.350 0.007 0.000 0.297 487 T C -0.324 174.472 174.700 0.160 0.000 1.108 487 T CA -0.534 61.652 62.100 0.143 0.000 1.004 487 T CB 1.515 70.460 68.868 0.129 0.000 1.159 487 T HN 0.132 nan 8.240 nan 0.000 0.499 488 Y N 2.569 122.879 120.300 0.016 0.000 2.128 488 Y HA -0.181 4.373 4.550 0.007 0.000 0.284 488 Y C 2.539 178.441 175.900 0.002 0.000 1.154 488 Y CA 2.468 60.553 58.100 -0.024 0.000 1.149 488 Y CB -0.386 37.986 38.460 -0.146 0.000 0.976 488 Y HN 0.663 nan 8.280 nan 0.000 0.505 489 S N -1.058 114.673 115.700 0.050 0.000 2.584 489 S HA -0.124 4.350 4.470 0.007 0.000 0.240 489 S C 1.671 176.282 174.600 0.019 0.000 0.975 489 S CA 0.926 59.161 58.200 0.058 0.000 0.949 489 S CB -0.826 62.541 63.200 0.278 0.000 0.761 489 S HN 0.594 nan 8.310 nan 0.000 0.536 490 S N -0.445 115.255 115.700 -0.000 0.000 2.613 490 S HA 0.086 4.560 4.470 0.007 0.000 0.235 490 S C 1.663 176.264 174.600 0.001 0.000 1.073 490 S CA 0.443 58.658 58.200 0.026 0.000 0.899 490 S CB -0.833 62.411 63.200 0.073 0.000 0.818 490 S HN 0.341 nan 8.310 nan 0.000 0.484 491 T N 3.579 118.105 114.554 -0.047 0.000 2.708 491 T HA 0.084 4.438 4.350 0.007 0.000 0.266 491 T C 1.668 176.330 174.700 -0.065 0.000 1.037 491 T CA 1.662 63.721 62.100 -0.069 0.000 1.146 491 T CB -0.658 68.151 68.868 -0.099 0.000 0.865 491 T HN 0.272 nan 8.240 nan 0.000 0.435 492 L N 0.665 121.793 121.223 -0.158 0.000 1.990 492 L HA -0.159 4.185 4.340 0.007 0.000 0.213 492 L C 2.727 179.576 176.870 -0.035 0.000 1.072 492 L CA 1.267 56.031 54.840 -0.126 0.000 0.755 492 L CB -0.515 41.426 42.059 -0.197 0.000 0.889 492 L HN 0.202 nan 8.230 nan 0.000 0.432 493 S N -2.152 113.536 115.700 -0.020 0.000 2.555 493 S HA -0.148 4.326 4.470 0.007 0.000 0.230 493 S C 1.735 176.342 174.600 0.010 0.000 0.978 493 S CA 0.402 58.598 58.200 -0.007 0.000 0.934 493 S CB -0.328 62.866 63.200 -0.011 0.000 0.766 493 S HN 0.437 nan 8.310 nan 0.000 0.533 494 H N 0.903 119.944 119.070 -0.049 0.000 2.486 494 H HA 0.248 4.809 4.556 0.007 0.000 0.287 494 H C 1.764 177.074 175.328 -0.030 0.000 1.010 494 H CA 0.609 56.631 56.048 -0.043 0.000 1.324 494 H CB -0.100 29.633 29.762 -0.048 0.000 1.446 494 H HN 0.325 nan 8.280 nan 0.000 0.537 495 L N 0.472 121.801 121.223 0.176 0.000 2.093 495 L HA -0.082 4.263 4.340 0.007 0.000 0.208 495 L C 1.527 178.432 176.870 0.058 0.000 1.085 495 L CA 1.100 56.023 54.840 0.138 0.000 0.755 495 L CB -0.161 41.956 42.059 0.097 0.000 0.904 495 L HN 0.095 nan 8.230 nan 0.000 0.435 496 R N -0.021 120.489 120.500 0.016 0.000 2.721 496 R HA 0.178 4.522 4.340 0.007 0.000 0.296 496 R C 0.263 176.537 176.300 -0.043 0.000 1.174 496 R CA -0.220 55.876 56.100 -0.008 0.000 1.129 496 R CB -0.039 30.257 30.300 -0.006 0.000 1.316 496 R HN 0.182 nan 8.270 nan 0.000 0.571 497 R N 0.386 120.838 120.500 -0.080 0.000 2.528 497 R HA 0.254 4.598 4.340 0.007 0.000 0.271 497 R C -0.594 175.655 176.300 -0.085 0.000 1.056 497 R CA 0.143 56.169 56.100 -0.123 0.000 1.117 497 R CB 1.149 31.299 30.300 -0.250 0.000 1.085 497 R HN -0.088 nan 8.270 nan 0.000 0.530 498 T N 2.525 117.036 114.554 -0.072 0.000 3.078 498 T HA 0.172 4.526 4.350 0.007 0.000 0.328 498 T C -1.157 173.523 174.700 -0.034 0.000 0.987 498 T CA -0.647 61.433 62.100 -0.033 0.000 1.049 498 T CB 0.662 69.542 68.868 0.020 0.000 1.011 498 T HN 0.609 nan 8.240 nan 0.000 0.463 499 N N 1.834 120.506 118.700 -0.047 0.000 2.509 499 N HA 0.549 5.293 4.740 0.007 0.000 0.287 499 N C -0.746 174.754 175.510 -0.017 0.000 1.121 499 N CA -0.180 52.844 53.050 -0.042 0.000 0.977 499 N CB 0.935 39.384 38.487 -0.062 0.000 1.167 499 N HN 0.337 nan 8.380 nan 0.000 0.476 500 T N 3.383 117.933 114.554 -0.005 0.000 2.812 500 T HA 0.443 4.797 4.350 0.007 0.000 0.282 500 T C -2.505 172.195 174.700 0.000 0.000 0.990 500 T CA -0.985 61.120 62.100 0.009 0.000 0.960 500 T CB 1.656 70.545 68.868 0.035 0.000 0.948 500 T HN 0.452 nan 8.240 nan 0.000 0.438 501 P HA 0.378 nan 4.420 nan 0.000 0.271 501 P C 0.320 177.621 177.300 0.002 0.000 1.238 501 P CA -0.246 62.855 63.100 0.000 0.000 0.794 501 P CB 0.146 31.848 31.700 0.004 0.000 0.959 510 K N 0.200 120.622 120.400 0.037 0.000 2.615 510 K HA 0.528 4.852 4.320 0.007 0.000 0.249 510 K C -2.628 174.000 176.600 0.047 0.000 0.977 510 K CA -1.135 55.176 56.287 0.040 0.000 0.833 510 K CB 3.365 35.895 32.500 0.051 0.000 1.208 510 K HN 0.174 nan 8.250 nan 0.000 0.443 511 P HA 0.099 nan 4.420 nan 0.000 0.220 511 P C 0.161 177.486 177.300 0.041 0.000 1.051 511 P CA 0.131 63.257 63.100 0.042 0.000 1.049 511 P CB 0.625 32.340 31.700 0.026 0.000 0.926 512 R N -0.137 120.374 120.500 0.018 0.000 2.319 512 R HA 0.168 4.512 4.340 0.007 0.000 0.204 512 R C 0.978 177.270 176.300 -0.014 0.000 0.954 512 R CA -0.065 56.031 56.100 -0.006 0.000 1.066 512 R CB -0.572 29.718 30.300 -0.018 0.000 0.991 512 R HN 0.180 nan 8.270 nan 0.000 0.486 513 Q N 1.448 121.262 119.800 0.023 0.000 2.432 513 Q HA 0.064 4.408 4.340 0.007 0.000 0.264 513 Q C -0.791 175.206 176.000 -0.005 0.000 1.035 513 Q CA 0.016 55.839 55.803 0.033 0.000 0.908 513 Q CB 0.683 29.480 28.738 0.097 0.000 1.280 513 Q HN 0.163 nan 8.270 nan 0.000 0.455 514 L N 4.241 125.443 121.223 -0.036 0.000 2.268 514 L HA 0.301 4.646 4.340 0.007 0.000 0.289 514 L C -1.117 175.806 176.870 0.090 0.000 1.064 514 L CA 0.051 54.836 54.840 -0.092 0.000 0.824 514 L CB 0.144 42.131 42.059 -0.120 0.000 1.202 514 L HN 0.760 nan 8.230 nan 0.000 0.433 515 H N 3.154 122.354 119.070 0.216 0.000 2.479 515 H HA 0.370 4.930 4.556 0.007 0.000 0.335 515 H C 0.982 176.397 175.328 0.145 0.000 1.142 515 H CA -0.329 55.828 56.048 0.181 0.000 1.234 515 H CB 1.093 30.947 29.762 0.153 0.000 1.503 515 H HN 0.647 nan 8.280 nan 0.000 0.510 516 N N 1.574 120.001 118.700 -0.454 0.000 2.184 516 N HA -0.171 4.573 4.740 0.007 0.000 0.190 516 N C 0.900 176.402 175.510 -0.013 0.000 1.011 516 N CA 1.887 54.802 53.050 -0.225 0.000 0.867 516 N CB -0.138 38.132 38.487 -0.362 0.000 0.993 516 N HN 0.719 nan 8.380 nan 0.000 0.433 517 T N -2.163 112.446 114.554 0.091 0.000 3.317 517 T HA 0.074 4.428 4.350 0.007 0.000 0.250 517 T C 1.018 175.693 174.700 -0.043 0.000 1.106 517 T CA 0.169 62.283 62.100 0.024 0.000 0.986 517 T CB -0.162 68.615 68.868 -0.151 0.000 1.010 517 T HN 0.270 nan 8.240 nan 0.000 0.560 518 H N -0.746 118.335 119.070 0.018 0.000 2.547 518 H HA 0.105 4.666 4.556 0.007 0.000 0.272 518 H C 0.713 176.024 175.328 -0.028 0.000 0.971 518 H CA -0.372 55.590 56.048 -0.144 0.000 1.245 518 H CB -0.043 29.608 29.762 -0.185 0.000 1.440 518 H HN 0.545 nan 8.280 nan 0.000 0.540 519 W N 2.826 124.129 121.300 0.003 0.000 2.639 519 W HA -0.059 4.605 4.660 0.007 0.000 0.361 519 W C 0.614 177.115 176.519 -0.031 0.000 1.204 519 W CA 1.798 59.128 57.345 -0.024 0.000 1.221 519 W CB -0.309 29.131 29.460 -0.034 0.000 1.261 519 W HN 0.534 nan 8.180 nan 0.000 0.586 520 G N 4.198 112.706 108.800 -0.486 0.000 2.148 520 G HA2 -0.331 3.634 3.960 0.007 0.000 0.254 520 G HA3 -0.331 3.634 3.960 0.007 0.000 0.254 520 G C 0.433 175.195 174.900 -0.231 0.000 0.981 520 G CA 0.475 45.289 45.100 -0.476 0.000 0.670 520 G HN 0.596 nan 8.290 nan 0.000 0.528 521 L N -1.751 119.388 121.223 -0.140 0.000 2.663 521 L HA 0.417 4.761 4.340 0.007 0.000 0.218 521 L C 1.170 177.987 176.870 -0.088 0.000 1.043 521 L CA 0.099 54.894 54.840 -0.076 0.000 0.876 521 L CB 0.269 42.355 42.059 0.045 0.000 1.263 521 L HN 0.103 nan 8.230 nan 0.000 0.486 522 V N -0.298 119.548 119.914 -0.112 0.000 2.850 522 V HA 0.222 4.346 4.120 0.007 0.000 0.315 522 V C -0.468 175.541 176.094 -0.143 0.000 1.064 522 V CA -0.991 61.238 62.300 -0.118 0.000 0.979 522 V CB 2.659 34.414 31.823 -0.113 0.000 1.039 522 V HN 0.265 nan 8.190 nan 0.000 0.452 523 C N 6.537 125.753 119.300 -0.140 0.000 2.499 523 C HA 0.380 4.845 4.460 0.007 0.000 0.386 523 C C -0.496 174.406 174.990 -0.146 0.000 1.293 523 C CA -1.336 57.601 59.018 -0.135 0.000 1.884 523 C CB 0.456 28.133 27.740 -0.106 0.000 2.509 523 C HN 0.811 nan 8.230 nan 0.000 0.566 524 P HA 0.028 nan 4.420 nan 0.000 0.230 524 P C 0.480 177.729 177.300 -0.086 0.000 1.158 524 P CA 1.383 64.420 63.100 -0.105 0.000 0.769 524 P CB 0.241 31.915 31.700 -0.044 0.000 0.807 525 A N -1.183 121.591 122.820 -0.077 0.000 2.548 525 A HA 0.159 4.483 4.320 0.007 0.000 0.236 525 A C 0.771 178.310 177.584 -0.074 0.000 1.246 525 A CA -0.129 51.873 52.037 -0.059 0.000 0.993 525 A CB -0.037 18.950 19.000 -0.023 0.000 1.209 525 A HN 0.048 nan 8.150 nan 0.000 0.570 526 E N 1.154 121.302 120.200 -0.087 0.000 2.194 526 E HA 0.476 4.830 4.350 0.007 0.000 0.284 526 E C -0.773 175.764 176.600 -0.106 0.000 1.035 526 E CA 0.158 56.506 56.400 -0.088 0.000 0.836 526 E CB 0.576 30.229 29.700 -0.079 0.000 1.070 526 E HN 0.232 nan 8.360 nan 0.000 0.401 527 T N 3.998 118.486 114.554 -0.109 0.000 3.247 527 T HA 0.179 4.533 4.350 0.007 0.000 0.395 527 T C -2.932 171.692 174.700 -0.127 0.000 1.772 527 T CA -1.245 60.785 62.100 -0.117 0.000 1.117 527 T CB 1.052 69.846 68.868 -0.124 0.000 1.626 527 T HN 0.261 nan 8.240 nan 0.000 0.481 528 P HA 0.305 nan 4.420 nan 0.000 0.271 528 P C -0.711 176.502 177.300 -0.145 0.000 1.218 528 P CA -0.165 62.861 63.100 -0.123 0.000 0.780 528 P CB 0.312 31.953 31.700 -0.097 0.000 0.901 529 E N 1.372 121.463 120.200 -0.181 0.000 2.089 529 E HA 0.505 4.859 4.350 0.007 0.000 0.284 529 E C 0.600 177.123 176.600 -0.128 0.000 1.023 529 E CA -0.898 55.373 56.400 -0.216 0.000 0.819 529 E CB 0.034 29.499 29.700 -0.392 0.000 1.076 529 E HN 0.754 nan 8.360 nan 0.000 0.396 530 G N 2.284 111.026 108.800 -0.097 0.000 2.728 530 G HA2 -0.339 3.625 3.960 0.007 0.000 0.294 530 G HA3 -0.339 3.625 3.960 0.007 0.000 0.294 530 G C 0.216 175.084 174.900 -0.053 0.000 1.342 530 G CA 0.055 45.118 45.100 -0.060 0.000 0.866 530 G HN 0.706 nan 8.290 nan 0.000 0.534 531 Q N -2.672 117.105 119.800 -0.039 0.000 1.920 531 Q HA -0.328 4.016 4.340 0.007 0.000 0.239 531 Q C 1.807 177.787 176.000 -0.034 0.000 2.739 531 Q CA 3.604 59.387 55.803 -0.033 0.000 0.504 531 Q CB -1.636 27.082 28.738 -0.034 0.000 0.891 531 Q HN 2.407 nan 8.270 nan 0.000 0.524 532 A N -0.329 122.466 122.820 -0.041 0.000 2.793 532 A HA 0.417 4.741 4.320 0.007 0.000 0.301 532 A C -0.090 177.463 177.584 -0.050 0.000 1.172 532 A CA 0.049 52.062 52.037 -0.040 0.000 0.973 532 A CB 0.213 19.190 19.000 -0.039 0.000 1.164 532 A HN 0.507 nan 8.150 nan 0.000 0.542 533 C N -0.331 118.935 119.300 -0.056 0.000 2.665 533 C HA 0.408 4.872 4.460 0.007 0.000 0.416 533 C C 2.089 177.042 174.990 -0.061 0.000 1.305 533 C CA 1.753 60.730 59.018 -0.069 0.000 1.903 533 C CB -0.869 26.827 27.740 -0.073 0.000 2.704 533 C HN 1.875 nan 8.230 nan 0.000 0.629 534 G N 3.922 112.677 108.800 -0.076 0.000 2.302 534 G HA2 -0.303 3.661 3.960 0.007 0.000 0.263 534 G HA3 -0.303 3.661 3.960 0.007 0.000 0.263 534 G C 0.627 175.493 174.900 -0.057 0.000 0.995 534 G CA 0.925 45.980 45.100 -0.075 0.000 0.622 534 G HN 0.776 nan 8.290 nan 0.000 0.538 535 L N 0.035 121.232 121.223 -0.042 0.000 2.062 535 L HA 0.218 4.562 4.340 0.007 0.000 0.202 535 L C 1.566 178.420 176.870 -0.027 0.000 1.079 535 L CA 0.803 55.631 54.840 -0.021 0.000 0.755 535 L CB -0.199 41.850 42.059 -0.017 0.000 0.913 535 L HN 0.101 nan 8.230 nan 0.000 0.445 536 V N 2.961 122.846 119.914 -0.047 0.000 2.381 536 V HA 0.057 4.181 4.120 0.007 0.000 0.257 536 V C 0.134 176.183 176.094 -0.075 0.000 1.057 536 V CA -0.174 62.091 62.300 -0.058 0.000 1.013 536 V CB -0.345 31.433 31.823 -0.074 0.000 1.069 536 V HN 0.237 nan 8.190 nan 0.000 0.484 537 K N 3.909 124.270 120.400 -0.064 0.000 2.211 537 K HA 0.574 4.899 4.320 0.007 0.000 0.237 537 K C -0.801 175.752 176.600 -0.078 0.000 1.002 537 K CA -0.985 55.249 56.287 -0.088 0.000 0.885 537 K CB 1.459 33.891 32.500 -0.112 0.000 1.136 537 K HN 0.341 nan 8.250 nan 0.000 0.448 538 N N 0.731 119.378 118.700 -0.089 0.000 2.361 538 N HA 0.350 5.094 4.740 0.007 0.000 0.302 538 N C -0.385 175.084 175.510 -0.069 0.000 1.074 538 N CA -0.639 52.366 53.050 -0.075 0.000 0.850 538 N CB 1.384 39.825 38.487 -0.077 0.000 1.228 538 N HN 0.403 nan 8.380 nan 0.000 0.491 539 L N 1.108 122.300 121.223 -0.052 0.000 2.461 539 L HA 0.123 4.467 4.340 0.007 0.000 0.272 539 L C 1.268 178.097 176.870 -0.069 0.000 1.197 539 L CA 0.127 54.936 54.840 -0.051 0.000 0.836 539 L CB 0.360 42.396 42.059 -0.039 0.000 1.105 539 L HN 0.393 nan 8.230 nan 0.000 0.477 540 S N 1.465 117.108 115.700 -0.095 0.000 2.598 540 S HA 0.119 4.593 4.470 0.007 0.000 0.256 540 S C 1.299 175.844 174.600 -0.091 0.000 1.350 540 S CA -0.567 57.561 58.200 -0.119 0.000 0.984 540 S CB 0.606 63.700 63.200 -0.177 0.000 0.930 540 S HN 0.457 nan 8.310 nan 0.000 0.577 541 L N 0.454 121.626 121.223 -0.085 0.000 2.044 541 L HA 0.037 4.381 4.340 0.007 0.000 0.205 541 L C 1.996 178.824 176.870 -0.070 0.000 1.075 541 L CA 1.282 56.123 54.840 0.003 0.000 0.747 541 L CB -0.182 41.911 42.059 0.057 0.000 0.903 541 L HN 0.608 nan 8.230 nan 0.000 0.435 542 M N -0.490 118.947 119.600 -0.273 0.000 2.493 542 M HA 0.068 4.552 4.480 0.007 0.000 0.244 542 M C 0.543 176.577 176.300 -0.443 0.000 1.182 542 M CA -0.181 54.789 55.300 -0.549 0.000 0.981 542 M CB 0.245 32.395 32.600 -0.750 0.000 1.551 542 M HN 0.156 nan 8.290 nan 0.000 0.476 543 S N -0.761 114.768 115.700 -0.285 0.000 2.537 543 S HA 0.470 4.945 4.470 0.007 0.000 0.275 543 S C -0.331 174.080 174.600 -0.315 0.000 1.272 543 S CA -0.875 57.158 58.200 -0.279 0.000 1.050 543 S CB 1.245 64.337 63.200 -0.181 0.000 0.961 543 S HN 0.311 nan 8.310 nan 0.000 0.496 544 C N 2.719 121.686 119.300 -0.556 0.000 2.802 544 C HA 0.674 5.138 4.460 0.007 0.000 0.307 544 C C -0.385 174.143 174.990 -0.771 0.000 1.222 544 C CA -0.800 57.825 59.018 -0.655 0.000 1.580 544 C CB 1.027 28.280 27.740 -0.812 0.000 2.119 544 C HN 0.940 nan 8.230 nan 0.000 0.479 545 I N 2.108 122.454 120.570 -0.372 0.000 2.412 545 I HA 0.347 4.521 4.170 0.007 0.000 0.296 545 I C 0.846 177.018 176.117 0.093 0.000 0.987 545 I CA 0.456 61.669 61.300 -0.145 0.000 1.180 545 I CB 1.691 39.665 38.000 -0.045 0.000 1.340 545 I HN 0.802 nan 8.210 nan 0.000 0.455 546 S N 4.210 120.095 115.700 0.308 0.000 2.580 546 S HA 0.113 4.587 4.470 0.007 0.000 0.261 546 S C 0.795 175.505 174.600 0.184 0.000 1.366 546 S CA -0.424 57.999 58.200 0.373 0.000 0.996 546 S CB 1.007 64.353 63.200 0.244 0.000 0.902 546 S HN 0.498 nan 8.310 nan 0.000 0.566 547 V N 1.065 121.061 119.914 0.137 0.000 2.521 547 V HA 0.485 4.609 4.120 0.007 0.000 0.239 547 V C 1.259 177.375 176.094 0.036 0.000 1.053 547 V CA 1.355 63.697 62.300 0.070 0.000 1.073 547 V CB -0.199 31.645 31.823 0.034 0.000 0.746 547 V HN 1.711 nan 8.190 nan 0.000 0.476 548 G N 1.111 109.926 108.800 0.024 0.000 2.867 548 G HA2 -0.103 3.861 3.960 0.007 0.000 0.182 548 G HA3 -0.103 3.861 3.960 0.007 0.000 0.182 548 G C -0.152 174.740 174.900 -0.014 0.000 1.029 548 G CA -0.040 45.070 45.100 0.016 0.000 1.093 548 G HN 0.509 nan 8.290 nan 0.000 0.585 549 T N 0.291 114.836 114.554 -0.015 0.000 2.689 549 T HA 0.385 4.739 4.350 0.007 0.000 0.308 549 T C 0.354 175.049 174.700 -0.009 0.000 1.021 549 T CA -0.215 61.864 62.100 -0.035 0.000 0.973 549 T CB 0.938 69.782 68.868 -0.040 0.000 1.113 549 T HN 0.319 nan 8.240 nan 0.000 0.522 550 D N 1.114 121.509 120.400 -0.008 0.000 2.264 550 D HA 0.232 4.876 4.640 0.007 0.000 0.250 550 D C -1.482 174.821 176.300 0.006 0.000 1.113 550 D CA -1.902 52.104 54.000 0.010 0.000 0.871 550 D CB 1.658 42.468 40.800 0.017 0.000 1.167 550 D HN 0.143 nan 8.370 nan 0.000 0.447 551 P HA 0.025 nan 4.420 nan 0.000 0.226 551 P C 1.591 178.887 177.300 -0.007 0.000 1.161 551 P CA 0.509 63.616 63.100 0.012 0.000 0.804 551 P CB 0.335 32.055 31.700 0.034 0.000 0.829 552 M N -0.589 119.011 119.600 0.000 0.000 2.099 552 M HA 0.012 4.497 4.480 0.007 0.000 0.262 552 M C -0.670 175.627 176.300 -0.006 0.000 1.067 552 M CA 1.733 57.031 55.300 -0.004 0.000 1.124 552 M CB -2.778 29.829 32.600 0.011 0.000 1.353 552 M HN -0.050 nan 8.290 nan 0.000 0.410 553 P HA -0.029 nan 4.420 nan 0.000 0.231 553 P C 1.326 178.625 177.300 -0.002 0.000 1.158 553 P CA 0.966 64.062 63.100 -0.007 0.000 0.763 553 P CB -0.182 31.500 31.700 -0.032 0.000 0.805 554 I N -1.458 119.107 120.570 -0.009 0.000 2.512 554 I HA -0.089 4.085 4.170 0.007 0.000 0.247 554 I C 2.088 178.216 176.117 0.018 0.000 1.094 554 I CA 0.666 61.975 61.300 0.016 0.000 1.427 554 I CB -0.603 37.384 38.000 -0.021 0.000 1.149 554 I HN -0.197 nan 8.210 nan 0.000 0.438 555 I N 0.263 120.791 120.570 -0.071 0.000 2.145 555 I HA -0.366 3.808 4.170 0.007 0.000 0.244 555 I C 2.546 178.622 176.117 -0.068 0.000 1.075 555 I CA 1.954 63.153 61.300 -0.168 0.000 1.332 555 I CB -1.876 35.992 38.000 -0.220 0.000 1.033 555 I HN 0.270 nan 8.210 nan 0.000 0.410 556 T N -0.077 114.479 114.554 0.003 0.000 2.995 556 T HA -0.123 4.231 4.350 0.007 0.000 0.269 556 T C 1.524 176.290 174.700 0.110 0.000 1.091 556 T CA 0.429 62.557 62.100 0.046 0.000 1.128 556 T CB -0.269 68.630 68.868 0.051 0.000 0.891 556 T HN 0.244 nan 8.240 nan 0.000 0.492 557 F N 0.483 120.409 119.950 -0.041 0.000 2.748 557 F HA 0.343 4.874 4.527 0.007 0.000 0.299 557 F C 1.303 177.116 175.800 0.023 0.000 1.154 557 F CA 0.369 58.337 58.000 -0.054 0.000 1.446 557 F CB -0.002 38.899 39.000 -0.164 0.000 1.112 557 F HN 0.146 nan 8.300 nan 0.000 0.584 558 L N -0.993 120.212 121.223 -0.031 0.000 2.327 558 L HA -0.021 4.324 4.340 0.007 0.000 0.192 558 L C 2.579 179.427 176.870 -0.036 0.000 1.158 558 L CA 0.921 55.715 54.840 -0.076 0.000 0.813 558 L CB -1.008 41.002 42.059 -0.082 0.000 1.021 558 L HN 0.060 nan 8.230 nan 0.000 0.481 559 S N -0.948 114.730 115.700 -0.037 0.000 2.537 559 S HA -0.121 4.353 4.470 0.007 0.000 0.240 559 S C 1.458 176.059 174.600 0.000 0.000 0.981 559 S CA 1.021 59.210 58.200 -0.018 0.000 0.948 559 S CB -0.267 62.921 63.200 -0.019 0.000 0.759 559 S HN 0.397 nan 8.310 nan 0.000 0.531 560 E N -0.910 119.303 120.200 0.022 0.000 2.244 560 E HA 0.115 4.469 4.350 0.007 0.000 0.196 560 E C -0.417 176.199 176.600 0.026 0.000 0.939 560 E CA 0.004 56.426 56.400 0.036 0.000 0.884 560 E CB 0.195 29.945 29.700 0.082 0.000 0.850 560 E HN 0.687 nan 8.360 nan 0.000 0.481 561 W N 0.969 122.145 121.300 -0.207 0.000 2.243 561 W HA 0.309 4.973 4.660 0.007 0.000 0.331 561 W C 0.749 177.115 176.519 -0.255 0.000 0.895 561 W CA 0.646 57.812 57.345 -0.299 0.000 1.580 561 W CB 0.538 29.619 29.460 -0.633 0.000 1.568 561 W HN 0.287 nan 8.180 nan 0.000 0.372 562 G N 3.078 111.807 108.800 -0.118 0.000 2.399 562 G HA2 -0.321 3.643 3.960 0.007 0.000 0.216 562 G HA3 -0.321 3.643 3.960 0.007 0.000 0.216 562 G C 0.444 175.492 174.900 0.246 0.000 1.096 562 G CA 0.098 45.215 45.100 0.028 0.000 0.650 562 G HN 0.521 nan 8.290 nan 0.000 0.512 563 M N 0.911 120.648 119.600 0.229 0.000 2.247 563 M HA 0.786 5.270 4.480 0.007 0.000 0.326 563 M C -0.172 176.165 176.300 0.061 0.000 1.134 563 M CA -0.186 55.283 55.300 0.282 0.000 1.136 563 M CB 0.899 33.581 32.600 0.137 0.000 1.454 563 M HN 0.181 nan 8.290 nan 0.000 0.467 564 E N 2.427 122.630 120.200 0.004 0.000 2.266 564 E HA 0.460 4.814 4.350 0.007 0.000 0.277 564 E C -2.378 174.156 176.600 -0.110 0.000 1.018 564 E CA -1.931 54.432 56.400 -0.061 0.000 0.840 564 E CB 1.111 30.768 29.700 -0.071 0.000 1.082 564 E HN 0.508 nan 8.360 nan 0.000 0.395 565 P HA 0.061 nan 4.420 nan 0.000 0.282 565 P C 0.147 177.267 177.300 -0.300 0.000 1.287 565 P CA -0.422 62.583 63.100 -0.158 0.000 0.792 565 P CB 0.999 32.648 31.700 -0.086 0.000 1.163 566 L N 0.157 121.154 121.223 -0.377 0.000 2.202 566 L HA -0.048 4.296 4.340 0.007 0.000 0.205 566 L C 2.329 178.906 176.870 -0.489 0.000 1.083 566 L CA 1.390 55.829 54.840 -0.667 0.000 0.790 566 L CB -1.092 40.536 42.059 -0.719 0.000 0.942 566 L HN 0.292 nan 8.230 nan 0.000 0.452 567 E N -0.491 119.578 120.200 -0.218 0.000 2.033 567 E HA -0.211 4.143 4.350 0.007 0.000 0.199 567 E C -0.052 176.514 176.600 -0.057 0.000 1.011 567 E CA 1.320 57.671 56.400 -0.081 0.000 0.815 567 E CB -1.125 28.549 29.700 -0.044 0.000 0.755 567 E HN 0.480 nan 8.360 nan 0.000 0.451 568 D N 0.754 121.111 120.400 -0.071 0.000 2.483 568 D HA 0.104 4.748 4.640 0.007 0.000 0.220 568 D C -0.948 175.348 176.300 -0.007 0.000 1.173 568 D CA -0.068 53.913 54.000 -0.031 0.000 0.964 568 D CB -0.205 40.575 40.800 -0.032 0.000 1.046 568 D HN 0.101 nan 8.370 nan 0.000 0.517 569 Y N 2.524 122.712 120.300 -0.187 0.000 2.363 569 Y HA 0.273 4.827 4.550 0.007 0.000 0.325 569 Y C -0.845 174.995 175.900 -0.099 0.000 0.984 569 Y CA -1.465 56.495 58.100 -0.234 0.000 1.248 569 Y CB 0.804 38.956 38.460 -0.514 0.000 1.116 569 Y HN 0.042 nan 8.280 nan 0.000 0.470 570 V N 5.837 125.653 119.914 -0.163 0.000 2.472 570 V HA 0.531 4.656 4.120 0.007 0.000 0.290 570 V C -2.271 173.532 176.094 -0.486 0.000 1.037 570 V CA -2.199 59.922 62.300 -0.299 0.000 0.908 570 V CB 1.798 33.613 31.823 -0.013 0.000 0.985 570 V HN 0.485 nan 8.190 nan 0.000 0.454 571 P HA -0.091 nan 4.420 nan 0.000 0.216 571 P C 0.891 178.145 177.300 -0.075 0.000 1.153 571 P CA 1.640 64.454 63.100 -0.477 0.000 0.848 571 P CB 0.237 31.590 31.700 -0.579 0.000 0.787 572 H N -2.584 116.433 119.070 -0.088 0.000 2.348 572 H HA 0.209 4.770 4.556 0.007 0.000 0.233 572 H C 1.022 176.327 175.328 -0.037 0.000 0.889 572 H CA 0.234 56.233 56.048 -0.082 0.000 1.034 572 H CB -0.283 29.414 29.762 -0.108 0.000 1.393 572 H HN -0.146 nan 8.280 nan 0.000 0.422 573 Q N 0.409 120.270 119.800 0.101 0.000 1.413 573 Q HA -0.223 4.121 4.340 0.007 0.000 0.468 573 Q C -0.162 175.873 176.000 0.058 0.000 0.972 573 Q CA 1.363 57.202 55.803 0.059 0.000 0.548 573 Q CB -0.346 28.418 28.738 0.044 0.000 4.952 573 Q HN 0.305 nan 8.270 nan 0.000 0.628 574 S N 2.167 117.887 115.700 0.033 0.000 2.503 574 S HA 0.131 4.606 4.470 0.007 0.000 0.317 574 S C -1.802 172.823 174.600 0.042 0.000 1.162 574 S CA -0.472 57.746 58.200 0.029 0.000 1.124 574 S CB 0.582 63.786 63.200 0.006 0.000 1.207 574 S HN 0.394 nan 8.310 nan 0.000 0.538 575 P HA 0.048 nan 4.420 nan 0.000 0.240 575 P C 0.347 177.683 177.300 0.059 0.000 1.190 575 P CA 0.315 63.451 63.100 0.059 0.000 0.781 575 P CB 0.183 31.933 31.700 0.084 0.000 0.931 576 D N 0.851 121.281 120.400 0.050 0.000 2.389 576 D HA -0.051 4.593 4.640 0.007 0.000 0.221 576 D C 0.953 177.281 176.300 0.046 0.000 0.974 576 D CA 0.513 54.541 54.000 0.046 0.000 0.923 576 D CB -0.269 40.553 40.800 0.036 0.000 0.892 576 D HN 0.173 nan 8.370 nan 0.000 0.518 577 A N 1.086 123.932 122.820 0.044 0.000 2.451 577 A HA 0.248 4.572 4.320 0.007 0.000 0.266 577 A C 0.469 178.090 177.584 0.062 0.000 1.119 577 A CA -0.110 51.954 52.037 0.045 0.000 0.786 577 A CB 0.263 19.288 19.000 0.041 0.000 1.061 577 A HN -0.081 nan 8.150 nan 0.000 0.503 578 T N 3.896 118.500 114.554 0.084 0.000 2.794 578 T HA 0.350 4.704 4.350 0.007 0.000 0.296 578 T C 0.702 175.463 174.700 0.102 0.000 0.949 578 T CA -0.154 61.997 62.100 0.085 0.000 1.101 578 T CB 0.113 69.035 68.868 0.090 0.000 0.905 578 T HN 0.764 nan 8.240 nan 0.000 0.516 579 R N 1.607 122.162 120.500 0.093 0.000 2.531 579 R HA 0.595 4.940 4.340 0.007 0.000 0.273 579 R C -1.040 175.360 176.300 0.167 0.000 1.070 579 R CA -0.819 55.384 56.100 0.172 0.000 1.112 579 R CB 0.401 30.833 30.300 0.220 0.000 1.049 579 R HN 0.278 nan 8.270 nan 0.000 0.508 580 V N 2.853 122.919 119.914 0.253 0.000 2.370 580 V HA 0.361 4.486 4.120 0.007 0.000 0.283 580 V C -0.792 175.382 176.094 0.134 0.000 1.023 580 V CA -0.500 61.905 62.300 0.176 0.000 0.857 580 V CB 0.583 32.487 31.823 0.134 0.000 0.985 580 V HN 0.548 nan 8.190 nan 0.000 0.443 581 F N 3.518 123.442 119.950 -0.044 0.000 2.495 581 F HA 0.747 5.278 4.527 0.007 0.000 0.327 581 F C -0.113 175.627 175.800 -0.099 0.000 1.103 581 F CA -0.584 57.364 58.000 -0.085 0.000 0.949 581 F CB 2.241 41.102 39.000 -0.232 0.000 1.142 581 F HN 0.196 nan 8.300 nan 0.000 0.457 582 V N 4.050 124.035 119.914 0.118 0.000 2.612 582 V HA 0.263 4.387 4.120 0.007 0.000 0.301 582 V C -0.242 175.868 176.094 0.027 0.000 1.059 582 V CA -1.230 61.083 62.300 0.021 0.000 0.886 582 V CB 1.565 33.436 31.823 0.081 0.000 1.007 582 V HN 0.820 nan 8.190 nan 0.000 0.426 583 N N 3.453 122.100 118.700 -0.088 0.000 2.681 583 N HA -0.214 4.530 4.740 0.007 0.000 0.250 583 N C 1.033 176.660 175.510 0.195 0.000 1.133 583 N CA 2.031 55.171 53.050 0.150 0.000 0.732 583 N CB -0.823 37.758 38.487 0.157 0.000 1.107 583 N HN 1.716 nan 8.380 nan 0.000 0.559 584 G N -2.546 106.380 108.800 0.211 0.000 2.165 584 G HA2 -0.208 3.756 3.960 0.007 0.000 0.226 584 G HA3 -0.208 3.756 3.960 0.007 0.000 0.226 584 G C -0.277 174.762 174.900 0.233 0.000 1.035 584 G CA 0.150 45.462 45.100 0.353 0.000 0.744 584 G HN 0.485 nan 8.290 nan 0.000 0.501 585 V N 0.096 120.048 119.914 0.064 0.000 2.735 585 V HA 0.708 4.832 4.120 0.007 0.000 0.310 585 V C -0.176 175.641 176.094 -0.462 0.000 1.061 585 V CA -1.237 60.918 62.300 -0.243 0.000 0.913 585 V CB 1.968 33.612 31.823 -0.299 0.000 1.005 585 V HN 0.320 nan 8.190 nan 0.000 0.428 586 W N 3.971 124.851 121.300 -0.701 0.000 2.335 586 W HA 0.440 5.104 4.660 0.007 0.000 0.306 586 W C 0.781 176.938 176.519 -0.604 0.000 1.216 586 W CA -0.409 56.508 57.345 -0.712 0.000 1.237 586 W CB 0.515 29.733 29.460 -0.403 0.000 1.243 586 W HN 0.671 nan 8.180 nan 0.000 0.493 587 H N 3.265 122.344 119.070 0.016 0.000 2.652 587 H HA 0.273 4.833 4.556 0.007 0.000 0.274 587 H C 1.172 176.345 175.328 -0.257 0.000 1.021 587 H CA 0.953 56.930 56.048 -0.118 0.000 1.187 587 H CB 0.729 30.454 29.762 -0.062 0.000 1.505 587 H HN 0.614 nan 8.280 nan 0.000 0.530 588 G N 0.353 108.910 108.800 -0.405 0.000 2.337 588 G HA2 -0.105 3.859 3.960 0.007 0.000 0.197 588 G HA3 -0.105 3.859 3.960 0.007 0.000 0.197 588 G C -1.152 173.590 174.900 -0.263 0.000 1.238 588 G CA -0.246 44.477 45.100 -0.629 0.000 1.119 588 G HN 0.122 nan 8.290 nan 0.000 0.514 589 V N -0.478 119.279 119.914 -0.261 0.000 3.164 589 V HA 0.916 5.040 4.120 0.007 0.000 0.313 589 V C -0.388 175.736 176.094 0.051 0.000 1.188 589 V CA -0.255 61.997 62.300 -0.080 0.000 1.058 589 V CB 2.093 33.795 31.823 -0.202 0.000 1.110 589 V HN 1.380 nan 8.190 nan 0.000 0.453 590 H N 0.286 119.345 119.070 -0.018 0.000 3.087 590 H HA 0.557 5.117 4.556 0.007 0.000 0.348 590 H C -0.745 174.588 175.328 0.008 0.000 1.092 590 H CA -0.574 55.469 56.048 -0.008 0.000 1.285 590 H CB 1.332 31.096 29.762 0.003 0.000 1.875 590 H HN 0.520 nan 8.280 nan 0.000 0.512 591 R N 3.597 123.825 120.500 -0.454 0.000 2.216 591 R HA 0.238 4.582 4.340 0.007 0.000 0.332 591 R C -0.457 175.714 176.300 -0.215 0.000 1.056 591 R CA -0.497 55.452 56.100 -0.251 0.000 0.901 591 R CB 0.142 30.312 30.300 -0.215 0.000 1.039 591 R HN 0.736 nan 8.270 nan 0.000 0.456 592 N N 2.717 121.429 118.700 0.019 0.000 2.422 592 N HA -0.091 4.653 4.740 0.007 0.000 0.289 592 N C -2.300 173.378 175.510 0.280 0.000 1.385 592 N CA 0.044 53.157 53.050 0.105 0.000 0.639 592 N CB 0.130 38.648 38.487 0.050 0.000 0.914 592 N HN 0.425 nan 8.380 nan 0.000 0.516 593 P HA 0.171 nan 4.420 nan 0.000 0.256 593 P C 0.802 178.158 177.300 0.094 0.000 1.384 593 P CA 0.476 63.667 63.100 0.153 0.000 0.879 593 P CB 0.090 31.852 31.700 0.103 0.000 1.403 594 A N 1.956 124.837 122.820 0.101 0.000 1.828 594 A HA -0.149 4.175 4.320 0.007 0.000 0.215 594 A C 2.255 179.885 177.584 0.078 0.000 1.203 594 A CA 1.216 53.299 52.037 0.076 0.000 0.614 594 A CB -0.970 18.071 19.000 0.068 0.000 0.844 594 A HN 0.096 nan 8.150 nan 0.000 0.445 595 R N -0.767 119.790 120.500 0.096 0.000 2.280 595 R HA 0.040 4.384 4.340 0.007 0.000 0.207 595 R C 1.900 178.280 176.300 0.134 0.000 1.043 595 R CA 0.794 56.960 56.100 0.110 0.000 1.006 595 R CB -0.386 29.985 30.300 0.118 0.000 0.885 595 R HN 0.530 nan 8.270 nan 0.000 0.467 596 L N 0.220 121.508 121.223 0.110 0.000 2.072 596 L HA -0.069 4.275 4.340 0.007 0.000 0.205 596 L C 2.151 179.047 176.870 0.044 0.000 1.079 596 L CA 1.614 56.490 54.840 0.059 0.000 0.752 596 L CB -0.250 41.735 42.059 -0.125 0.000 0.906 596 L HN 0.021 nan 8.230 nan 0.000 0.436 597 M N 0.038 119.662 119.600 0.040 0.000 2.077 597 M HA -0.186 4.298 4.480 0.007 0.000 0.261 597 M C 2.268 178.592 176.300 0.039 0.000 1.070 597 M CA 2.031 57.353 55.300 0.036 0.000 1.125 597 M CB -0.441 32.182 32.600 0.038 0.000 1.339 597 M HN 0.438 nan 8.290 nan 0.000 0.409 598 E N -1.498 118.732 120.200 0.049 0.000 2.204 598 E HA -0.154 4.200 4.350 0.007 0.000 0.195 598 E C 1.443 178.065 176.600 0.037 0.000 0.990 598 E CA 1.760 58.186 56.400 0.044 0.000 0.821 598 E CB -0.018 29.713 29.700 0.051 0.000 0.750 598 E HN 0.551 nan 8.360 nan 0.000 0.477 599 T N 0.379 114.966 114.554 0.055 0.000 2.857 599 T HA -0.054 4.300 4.350 0.007 0.000 0.266 599 T C 1.741 176.434 174.700 -0.012 0.000 1.048 599 T CA 0.799 62.918 62.100 0.032 0.000 1.139 599 T CB -0.079 68.818 68.868 0.048 0.000 0.874 599 T HN 0.128 nan 8.240 nan 0.000 0.455 600 L N 0.241 121.475 121.223 0.018 0.000 2.044 600 L HA 0.009 4.353 4.340 0.007 0.000 0.205 600 L C 2.943 179.777 176.870 -0.059 0.000 1.075 600 L CA 1.267 56.099 54.840 -0.014 0.000 0.747 600 L CB -0.301 41.774 42.059 0.026 0.000 0.903 600 L HN 0.103 nan 8.230 nan 0.000 0.435 601 R N -0.792 119.692 120.500 -0.027 0.000 2.081 601 R HA -0.121 4.223 4.340 0.007 0.000 0.235 601 R C 2.177 178.445 176.300 -0.053 0.000 1.131 601 R CA 1.926 58.009 56.100 -0.028 0.000 0.960 601 R CB -0.605 29.700 30.300 0.007 0.000 0.856 601 R HN 0.362 nan 8.270 nan 0.000 0.436 602 T N 1.394 115.918 114.554 -0.049 0.000 2.915 602 T HA -0.021 4.333 4.350 0.007 0.000 0.269 602 T C 1.826 176.465 174.700 -0.103 0.000 1.071 602 T CA 0.730 62.794 62.100 -0.060 0.000 1.132 602 T CB 0.007 68.854 68.868 -0.036 0.000 0.878 602 T HN 0.130 nan 8.240 nan 0.000 0.479 603 L N 0.220 121.357 121.223 -0.143 0.000 2.179 603 L HA 0.073 4.417 4.340 0.007 0.000 0.208 603 L C 2.990 179.739 176.870 -0.201 0.000 1.096 603 L CA 0.862 55.576 54.840 -0.209 0.000 0.779 603 L CB -0.411 41.444 42.059 -0.339 0.000 0.922 603 L HN 0.151 nan 8.230 nan 0.000 0.443 604 R N 0.889 121.287 120.500 -0.171 0.000 2.075 604 R HA -0.094 4.251 4.340 0.007 0.000 0.232 604 R C 1.631 177.832 176.300 -0.165 0.000 1.126 604 R CA 0.984 56.984 56.100 -0.165 0.000 0.963 604 R CB 0.020 30.240 30.300 -0.133 0.000 0.858 604 R HN 0.269 nan 8.270 nan 0.000 0.435 605 R N 0.157 120.576 120.500 -0.136 0.000 2.535 605 R HA 0.006 4.350 4.340 0.007 0.000 0.233 605 R C 1.375 177.594 176.300 -0.134 0.000 1.202 605 R CA 0.391 56.412 56.100 -0.132 0.000 1.205 605 R CB 0.203 30.449 30.300 -0.090 0.000 1.153 605 R HN 0.111 nan 8.270 nan 0.000 0.512 606 K N -1.786 118.526 120.400 -0.147 0.000 2.631 606 K HA 0.088 4.412 4.320 0.007 0.000 0.200 606 K C 0.778 177.287 176.600 -0.151 0.000 1.481 606 K CA 0.804 57.009 56.287 -0.137 0.000 1.087 606 K CB 1.185 33.611 32.500 -0.122 0.000 1.502 606 K HN 0.204 nan 8.250 nan 0.000 0.560 607 G N 1.203 109.901 108.800 -0.169 0.000 2.227 607 G HA2 -0.154 3.811 3.960 0.007 0.000 0.168 607 G HA3 -0.154 3.811 3.960 0.007 0.000 0.168 607 G C 0.261 175.060 174.900 -0.168 0.000 1.006 607 G CA 0.299 45.298 45.100 -0.169 0.000 0.684 607 G HN 0.252 nan 8.290 nan 0.000 0.489 608 D N 0.397 120.684 120.400 -0.188 0.000 2.224 608 D HA 0.083 4.727 4.640 0.007 0.000 0.205 608 D C 1.476 177.620 176.300 -0.261 0.000 0.965 608 D CA 0.768 54.635 54.000 -0.222 0.000 0.852 608 D CB 0.313 40.957 40.800 -0.260 0.000 0.947 608 D HN 0.451 nan 8.370 nan 0.000 0.494 609 I N 0.404 120.823 120.570 -0.252 0.000 2.676 609 I HA 0.150 4.324 4.170 0.007 0.000 0.309 609 I C 0.709 176.718 176.117 -0.181 0.000 0.990 609 I CA -0.867 60.298 61.300 -0.225 0.000 1.168 609 I CB 0.496 38.365 38.000 -0.218 0.000 1.343 609 I HN -0.189 nan 8.210 nan 0.000 0.482 610 N N 4.587 123.196 118.700 -0.152 0.000 2.475 610 N HA 0.100 4.844 4.740 0.007 0.000 0.267 610 N C -1.815 173.591 175.510 -0.173 0.000 1.169 610 N CA -1.139 51.825 53.050 -0.143 0.000 0.947 610 N CB 1.638 40.060 38.487 -0.108 0.000 1.061 610 N HN 0.244 nan 8.380 nan 0.000 0.466 611 P HA -0.182 nan 4.420 nan 0.000 0.218 611 P C 0.724 177.843 177.300 -0.302 0.000 1.150 611 P CA 1.397 64.296 63.100 -0.333 0.000 0.841 611 P CB 0.362 31.785 31.700 -0.462 0.000 0.784 612 E N -0.616 119.451 120.200 -0.221 0.000 2.031 612 E HA -0.079 4.275 4.350 0.007 0.000 0.193 612 E C 0.586 177.074 176.600 -0.187 0.000 0.994 612 E CA 0.587 56.837 56.400 -0.249 0.000 0.800 612 E CB -0.606 29.010 29.700 -0.141 0.000 0.752 612 E HN 0.014 nan 8.360 nan 0.000 0.447 613 V N 2.840 122.690 119.914 -0.107 0.000 2.752 613 V HA -0.109 4.015 4.120 0.007 0.000 0.306 613 V C 0.504 176.585 176.094 -0.022 0.000 1.099 613 V CA 0.434 62.709 62.300 -0.041 0.000 1.240 613 V CB 0.653 32.453 31.823 -0.039 0.000 0.887 613 V HN 0.247 nan 8.190 nan 0.000 0.499 614 S N 5.890 121.618 115.700 0.047 0.000 2.525 614 S HA 0.795 5.269 4.470 0.007 0.000 0.290 614 S C -0.687 173.957 174.600 0.072 0.000 1.152 614 S CA -0.921 57.323 58.200 0.074 0.000 1.072 614 S CB 1.415 64.697 63.200 0.137 0.000 1.027 614 S HN 0.576 nan 8.310 nan 0.000 0.500 615 M N 3.042 122.674 119.600 0.054 0.000 2.022 615 M HA 0.398 4.882 4.480 0.007 0.000 0.298 615 M C -1.667 174.665 176.300 0.054 0.000 0.909 615 M CA -0.363 54.959 55.300 0.038 0.000 0.914 615 M CB 1.118 33.729 32.600 0.018 0.000 1.486 615 M HN 0.565 nan 8.290 nan 0.000 0.415 616 I N 3.152 123.752 120.570 0.052 0.000 2.337 616 I HA 0.369 4.543 4.170 0.007 0.000 0.285 616 I C 0.094 176.230 176.117 0.032 0.000 1.041 616 I CA -0.155 61.180 61.300 0.057 0.000 1.199 616 I CB 0.891 38.938 38.000 0.078 0.000 1.370 616 I HN 0.549 nan 8.210 nan 0.000 0.470 617 R N 4.005 124.526 120.500 0.037 0.000 2.229 617 R HA 0.341 4.685 4.340 0.007 0.000 0.328 617 R C -0.937 175.380 176.300 0.027 0.000 1.009 617 R CA -0.513 55.604 56.100 0.029 0.000 0.864 617 R CB 0.660 30.980 30.300 0.033 0.000 1.085 617 R HN 0.495 nan 8.270 nan 0.000 0.453 618 D N 4.894 125.305 120.400 0.018 0.000 2.467 618 D HA 0.129 4.773 4.640 0.007 0.000 0.220 618 D C 1.426 177.739 176.300 0.021 0.000 1.103 618 D CA -0.391 53.619 54.000 0.016 0.000 0.886 618 D CB 0.787 41.589 40.800 0.004 0.000 1.025 618 D HN 0.452 nan 8.370 nan 0.000 0.514 619 I N 3.235 123.819 120.570 0.023 0.000 2.194 619 I HA -0.269 3.905 4.170 0.007 0.000 0.246 619 I C 2.280 178.413 176.117 0.027 0.000 1.093 619 I CA 1.532 62.848 61.300 0.026 0.000 1.355 619 I CB -0.598 37.415 38.000 0.021 0.000 1.046 619 I HN 0.578 nan 8.210 nan 0.000 0.413 620 R N 0.468 120.981 120.500 0.022 0.000 2.236 620 R HA -0.063 4.281 4.340 0.007 0.000 0.208 620 R C 1.660 177.979 176.300 0.031 0.000 1.036 620 R CA 0.837 56.951 56.100 0.024 0.000 1.001 620 R CB -0.190 30.120 30.300 0.016 0.000 0.896 620 R HN 0.144 nan 8.270 nan 0.000 0.464 621 E N 1.327 121.546 120.200 0.031 0.000 2.489 621 E HA 0.108 4.462 4.350 0.007 0.000 0.204 621 E C -0.583 176.049 176.600 0.053 0.000 1.006 621 E CA -0.023 56.403 56.400 0.042 0.000 0.936 621 E CB 0.361 30.078 29.700 0.029 0.000 1.002 621 E HN 0.212 nan 8.360 nan 0.000 0.488 622 K N 1.261 121.688 120.400 0.044 0.000 3.393 622 K HA -0.156 4.169 4.320 0.007 0.000 0.272 622 K C -0.876 175.744 176.600 0.034 0.000 1.004 622 K CA 0.664 56.979 56.287 0.047 0.000 0.764 622 K CB -0.873 31.663 32.500 0.060 0.000 1.373 622 K HN 0.122 nan 8.250 nan 0.000 0.458 623 E N 0.322 120.532 120.200 0.016 0.000 2.244 623 E HA 0.559 4.913 4.350 0.007 0.000 0.266 623 E C -0.849 175.753 176.600 0.004 0.000 0.914 623 E CA -1.025 55.367 56.400 -0.013 0.000 0.794 623 E CB 1.845 31.509 29.700 -0.059 0.000 1.210 623 E HN 0.153 nan 8.360 nan 0.000 0.414 624 L N 1.847 123.076 121.223 0.011 0.000 2.573 624 L HA 0.275 4.620 4.340 0.007 0.000 0.260 624 L C -1.185 175.687 176.870 0.003 0.000 0.997 624 L CA -0.119 54.728 54.840 0.013 0.000 0.890 624 L CB 0.866 42.942 42.059 0.028 0.000 1.179 624 L HN 0.268 nan 8.230 nan 0.000 0.439 625 K N 5.204 125.568 120.400 -0.060 0.000 2.234 625 K HA 0.621 4.945 4.320 0.007 0.000 0.277 625 K C -1.039 175.433 176.600 -0.213 0.000 1.038 625 K CA -0.504 55.675 56.287 -0.181 0.000 0.888 625 K CB 1.661 34.009 32.500 -0.254 0.000 1.091 625 K HN 0.369 nan 8.250 nan 0.000 0.467 626 I N 3.794 124.198 120.570 -0.276 0.000 2.389 626 I HA 0.318 4.492 4.170 0.007 0.000 0.288 626 I C -0.716 175.215 176.117 -0.310 0.000 0.999 626 I CA -0.348 60.840 61.300 -0.185 0.000 1.129 626 I CB 0.781 38.738 38.000 -0.072 0.000 1.288 626 I HN 0.403 nan 8.210 nan 0.000 0.444 627 F N 3.624 123.595 119.950 0.034 0.000 2.469 627 F HA 0.474 5.006 4.527 0.007 0.000 0.332 627 F C 0.603 176.409 175.800 0.010 0.000 1.103 627 F CA -0.455 57.562 58.000 0.028 0.000 0.979 627 F CB 2.040 41.050 39.000 0.017 0.000 1.137 627 F HN 0.306 nan 8.300 nan 0.000 0.463 628 T N 0.659 115.348 114.554 0.226 0.000 3.483 628 T HA 0.111 4.465 4.350 0.007 0.000 0.258 628 T C -0.773 173.994 174.700 0.112 0.000 1.013 628 T CA -0.427 61.743 62.100 0.117 0.000 1.078 628 T CB -0.386 68.520 68.868 0.063 0.000 1.111 628 T HN 0.351 nan 8.240 nan 0.000 0.538 629 D N 1.853 122.330 120.400 0.129 0.000 2.229 629 D HA 0.590 5.234 4.640 0.007 0.000 0.249 629 D C -0.376 175.951 176.300 0.045 0.000 1.027 629 D CA -0.587 53.459 54.000 0.076 0.000 0.923 629 D CB 1.668 42.495 40.800 0.043 0.000 1.174 629 D HN 0.309 nan 8.370 nan 0.000 0.443 630 A N 1.259 124.101 122.820 0.036 0.000 2.650 630 A HA 0.578 4.903 4.320 0.007 0.000 0.320 630 A C 0.793 178.389 177.584 0.020 0.000 1.466 630 A CA 0.308 52.369 52.037 0.040 0.000 1.099 630 A CB -0.187 18.840 19.000 0.045 0.000 1.136 630 A HN 0.631 nan 8.150 nan 0.000 0.532 631 G N 1.930 110.741 108.800 0.017 0.000 2.834 631 G HA2 -0.077 3.887 3.960 0.007 0.000 0.217 631 G HA3 -0.077 3.887 3.960 0.007 0.000 0.217 631 G C 0.173 175.039 174.900 -0.056 0.000 0.974 631 G CA -0.781 44.306 45.100 -0.021 0.000 0.826 631 G HN 0.666 nan 8.290 nan 0.000 0.584 632 R N 0.261 120.755 120.500 -0.011 0.000 2.539 632 R HA 0.510 4.854 4.340 0.007 0.000 0.275 632 R C -0.186 176.153 176.300 0.064 0.000 1.077 632 R CA -0.183 55.911 56.100 -0.009 0.000 1.097 632 R CB 1.582 31.905 30.300 0.039 0.000 1.018 632 R HN 0.043 nan 8.270 nan 0.000 0.483 633 V N 4.445 124.369 119.914 0.017 0.000 2.370 633 V HA 0.353 4.477 4.120 0.007 0.000 0.283 633 V C -0.649 175.513 176.094 0.114 0.000 1.023 633 V CA -0.679 61.635 62.300 0.024 0.000 0.857 633 V CB 0.462 32.337 31.823 0.086 0.000 0.985 633 V HN 0.728 nan 8.190 nan 0.000 0.443 634 Y N 4.003 124.296 120.300 -0.012 0.000 2.669 634 Y HA 0.936 5.491 4.550 0.007 0.000 0.335 634 Y C -0.147 175.669 175.900 -0.140 0.000 1.116 634 Y CA -1.462 56.611 58.100 -0.044 0.000 1.081 634 Y CB 1.539 39.986 38.460 -0.023 0.000 1.297 634 Y HN 0.633 nan 8.280 nan 0.000 0.484 635 R N -0.769 119.747 120.500 0.027 0.000 3.404 635 R HA 0.670 5.014 4.340 0.007 0.000 0.243 635 R C -2.810 173.384 176.300 -0.177 0.000 1.474 635 R CA -1.821 54.173 56.100 -0.176 0.000 1.018 635 R CB 0.128 30.329 30.300 -0.164 0.000 1.568 635 R HN 0.420 nan 8.270 nan 0.000 0.498 636 P HA -0.051 nan 4.420 nan 0.000 0.296 636 P C -0.448 176.866 177.300 0.024 0.000 1.358 636 P CA 0.307 63.365 63.100 -0.071 0.000 0.876 636 P CB 0.138 31.710 31.700 -0.213 0.000 1.471 637 L N -4.814 116.400 121.223 -0.015 0.000 2.305 637 L HA 0.519 4.863 4.340 0.007 0.000 0.239 637 L C 0.189 177.030 176.870 -0.049 0.000 1.146 637 L CA -0.912 53.878 54.840 -0.082 0.000 1.038 637 L CB -0.797 41.243 42.059 -0.031 0.000 1.591 637 L HN 0.054 nan 8.230 nan 0.000 0.438 638 F N 0.350 120.337 119.950 0.061 0.000 2.532 638 F HA 0.432 4.963 4.527 0.007 0.000 0.323 638 F C 0.413 176.261 175.800 0.080 0.000 1.234 638 F CA 0.153 58.187 58.000 0.056 0.000 1.323 638 F CB 0.361 39.393 39.000 0.054 0.000 1.183 638 F HN 0.167 nan 8.300 nan 0.000 0.589 639 I N 0.795 121.556 120.570 0.318 0.000 2.646 639 I HA 0.468 4.642 4.170 0.007 0.000 0.299 639 I C -1.158 175.059 176.117 0.167 0.000 1.036 639 I CA -1.017 60.429 61.300 0.243 0.000 1.074 639 I CB 1.947 40.045 38.000 0.163 0.000 1.258 639 I HN 0.072 nan 8.210 nan 0.000 0.430 640 V N 3.571 123.580 119.914 0.158 0.000 2.628 640 V HA 0.555 4.679 4.120 0.007 0.000 0.306 640 V C -0.569 175.570 176.094 0.075 0.000 1.045 640 V CA -0.489 61.865 62.300 0.089 0.000 0.905 640 V CB 1.958 33.835 31.823 0.091 0.000 0.997 640 V HN 0.814 nan 8.190 nan 0.000 0.436 641 E N 1.731 121.959 120.200 0.047 0.000 2.335 641 E HA 0.292 4.646 4.350 0.007 0.000 0.280 641 E C -1.369 175.241 176.600 0.018 0.000 0.918 641 E CA -0.640 55.782 56.400 0.037 0.000 0.765 641 E CB 1.635 31.356 29.700 0.036 0.000 1.218 641 E HN 0.861 nan 8.360 nan 0.000 0.425 642 D N 3.122 123.536 120.400 0.022 0.000 2.885 642 D HA 0.049 4.693 4.640 0.007 0.000 0.234 642 D C -0.618 175.683 176.300 0.001 0.000 1.129 642 D CA -0.018 53.989 54.000 0.013 0.000 0.991 642 D CB -0.027 40.793 40.800 0.034 0.000 1.137 642 D HN 0.245 nan 8.370 nan 0.000 0.459 643 D N 0.579 120.970 120.400 -0.014 0.000 2.443 643 D HA 0.105 4.749 4.640 0.007 0.000 0.281 643 D C -0.873 175.413 176.300 -0.024 0.000 1.210 643 D CA -0.412 53.583 54.000 -0.009 0.000 0.875 643 D CB 0.461 41.264 40.800 0.004 0.000 1.125 643 D HN -0.021 nan 8.370 nan 0.000 0.503 644 E N 0.767 120.943 120.200 -0.039 0.000 2.166 644 E HA 0.153 4.507 4.350 0.007 0.000 0.275 644 E C 0.671 177.264 176.600 -0.010 0.000 0.941 644 E CA -0.314 56.064 56.400 -0.037 0.000 0.784 644 E CB 2.103 31.760 29.700 -0.072 0.000 1.115 644 E HN 0.172 nan 8.360 nan 0.000 0.399 645 S N 2.378 118.075 115.700 -0.004 0.000 2.377 645 S HA -0.143 4.331 4.470 0.007 0.000 0.224 645 S C 0.880 175.486 174.600 0.010 0.000 1.042 645 S CA 1.296 59.499 58.200 0.005 0.000 1.086 645 S CB 0.035 63.238 63.200 0.004 0.000 0.995 645 S HN 0.364 nan 8.310 nan 0.000 0.428 646 L N 0.730 121.959 121.223 0.011 0.000 2.276 646 L HA 0.653 4.998 4.340 0.007 0.000 0.286 646 L C 0.163 177.049 176.870 0.026 0.000 1.024 646 L CA 0.099 54.952 54.840 0.021 0.000 0.826 646 L CB 1.342 43.414 42.059 0.022 0.000 1.211 646 L HN 0.449 nan 8.230 nan 0.000 0.422 647 G N 0.941 109.768 108.800 0.046 0.000 2.317 647 G HA2 0.014 3.978 3.960 0.007 0.000 0.445 647 G HA3 0.014 3.978 3.960 0.007 0.000 0.445 647 G C -0.081 174.848 174.900 0.048 0.000 1.486 647 G CA -0.313 44.830 45.100 0.071 0.000 0.991 647 G HN 0.613 nan 8.290 nan 0.000 0.660 648 H N 0.294 119.375 119.070 0.020 0.000 2.343 648 H HA 0.277 4.837 4.556 0.007 0.000 0.307 648 H C 0.712 176.057 175.328 0.029 0.000 1.045 648 H CA 1.325 57.388 56.048 0.024 0.000 1.281 648 H CB 0.137 29.916 29.762 0.027 0.000 1.425 648 H HN 0.646 nan 8.280 nan 0.000 0.540 649 K N 0.103 120.321 120.400 -0.304 0.000 2.670 649 K HA 0.261 4.585 4.320 0.007 0.000 0.274 649 K C -1.572 174.945 176.600 -0.139 0.000 1.068 649 K CA -0.078 56.157 56.287 -0.085 0.000 0.967 649 K CB 2.111 34.679 32.500 0.114 0.000 1.297 649 K HN 0.424 nan 8.250 nan 0.000 0.477 650 E N 2.529 122.643 120.200 -0.143 0.000 2.446 650 E HA 0.455 4.809 4.350 0.007 0.000 0.269 650 E C -1.100 175.460 176.600 -0.066 0.000 0.977 650 E CA -0.868 55.457 56.400 -0.124 0.000 0.854 650 E CB 1.327 30.908 29.700 -0.199 0.000 1.545 650 E HN 0.404 nan 8.360 nan 0.000 0.448 651 L N 2.044 123.220 121.223 -0.078 0.000 2.416 651 L HA 0.200 4.544 4.340 0.007 0.000 0.272 651 L C 1.130 177.973 176.870 -0.045 0.000 1.161 651 L CA 0.291 55.083 54.840 -0.080 0.000 0.845 651 L CB 0.562 42.519 42.059 -0.171 0.000 1.119 651 L HN 0.545 nan 8.230 nan 0.000 0.464 652 K N 1.737 122.132 120.400 -0.007 0.000 2.486 652 K HA 0.073 4.397 4.320 0.007 0.000 0.194 652 K C -0.338 176.297 176.600 0.058 0.000 1.033 652 K CA 0.229 56.533 56.287 0.027 0.000 1.004 652 K CB 0.211 32.734 32.500 0.039 0.000 0.798 652 K HN 0.364 nan 8.250 nan 0.000 0.495 653 V N 2.249 122.179 119.914 0.026 0.000 2.427 653 V HA 0.314 4.438 4.120 0.007 0.000 0.286 653 V C 0.205 176.345 176.094 0.076 0.000 1.034 653 V CA -0.932 61.425 62.300 0.095 0.000 0.893 653 V CB 1.587 33.435 31.823 0.042 0.000 0.982 653 V HN 0.078 nan 8.190 nan 0.000 0.452 654 R N 2.191 122.804 120.500 0.189 0.000 2.873 654 R HA 0.457 4.801 4.340 0.007 0.000 0.264 654 R C 0.899 177.207 176.300 0.014 0.000 1.026 654 R CA -0.945 55.174 56.100 0.033 0.000 1.002 654 R CB 1.548 31.811 30.300 -0.062 0.000 1.174 654 R HN 0.608 nan 8.270 nan 0.000 0.488 655 K N 0.694 121.082 120.400 -0.019 0.000 2.211 655 K HA -0.127 4.197 4.320 0.007 0.000 0.204 655 K C 1.774 178.352 176.600 -0.036 0.000 1.047 655 K CA 1.797 58.080 56.287 -0.007 0.000 0.935 655 K CB -0.333 32.161 32.500 -0.011 0.000 0.728 655 K HN 0.784 nan 8.250 nan 0.000 0.452 656 G N -0.254 108.473 108.800 -0.122 0.000 2.422 656 G HA2 -0.223 3.741 3.960 0.007 0.000 0.218 656 G HA3 -0.223 3.741 3.960 0.007 0.000 0.218 656 G C 1.098 175.867 174.900 -0.217 0.000 1.146 656 G CA 0.660 45.635 45.100 -0.208 0.000 0.769 656 G HN 0.357 nan 8.290 nan 0.000 0.547 657 H N -0.201 118.863 119.070 -0.011 0.000 2.535 657 H HA 0.193 4.753 4.556 0.007 0.000 0.273 657 H C 2.474 177.850 175.328 0.080 0.000 0.983 657 H CA 0.281 56.334 56.048 0.009 0.000 1.238 657 H CB 0.250 30.080 29.762 0.114 0.000 1.412 657 H HN 0.360 nan 8.280 nan 0.000 0.562 658 I N 0.500 121.171 120.570 0.170 0.000 2.277 658 I HA -0.141 4.034 4.170 0.007 0.000 0.243 658 I C 2.645 178.835 176.117 0.122 0.000 1.094 658 I CA 0.900 62.304 61.300 0.174 0.000 1.393 658 I CB -0.147 37.940 38.000 0.146 0.000 1.078 658 I HN 0.106 nan 8.210 nan 0.000 0.417 659 A N 0.477 123.328 122.820 0.051 0.000 2.024 659 A HA -0.225 4.099 4.320 0.007 0.000 0.220 659 A C 2.253 179.840 177.584 0.004 0.000 1.164 659 A CA 1.591 53.639 52.037 0.019 0.000 0.643 659 A CB -0.456 18.531 19.000 -0.021 0.000 0.806 659 A HN 0.327 nan 8.150 nan 0.000 0.451 660 K N -0.633 119.739 120.400 -0.046 0.000 2.097 660 K HA 0.036 4.360 4.320 0.007 0.000 0.205 660 K C 1.731 178.369 176.600 0.063 0.000 1.050 660 K CA 1.129 57.342 56.287 -0.124 0.000 0.938 660 K CB -0.274 31.915 32.500 -0.517 0.000 0.718 660 K HN 0.464 nan 8.250 nan 0.000 0.442 661 L N 0.376 121.722 121.223 0.204 0.000 2.109 661 L HA -0.077 4.267 4.340 0.007 0.000 0.207 661 L C 2.286 179.293 176.870 0.227 0.000 1.086 661 L CA 0.969 56.002 54.840 0.321 0.000 0.760 661 L CB -0.160 42.114 42.059 0.359 0.000 0.910 661 L HN 0.201 nan 8.230 nan 0.000 0.437 662 M N -1.032 118.673 119.600 0.174 0.000 2.619 662 M HA -0.039 4.445 4.480 0.007 0.000 0.251 662 M C 2.219 178.605 176.300 0.142 0.000 1.106 662 M CA 0.718 56.110 55.300 0.153 0.000 1.086 662 M CB -0.239 32.434 32.600 0.122 0.000 1.465 662 M HN 0.293 nan 8.290 nan 0.000 0.506 663 A N 0.340 123.235 122.820 0.126 0.000 1.897 663 A HA -0.093 4.231 4.320 0.007 0.000 0.215 663 A C 2.142 179.836 177.584 0.183 0.000 1.181 663 A CA 1.859 53.974 52.037 0.128 0.000 0.620 663 A CB -0.843 18.206 19.000 0.081 0.000 0.821 663 A HN 0.411 nan 8.150 nan 0.000 0.443 664 T N 0.120 114.776 114.554 0.170 0.000 2.904 664 T HA -0.084 4.270 4.350 0.007 0.000 0.267 664 T C 1.604 176.388 174.700 0.140 0.000 1.059 664 T CA 1.467 63.659 62.100 0.153 0.000 1.137 664 T CB -0.191 68.770 68.868 0.156 0.000 0.879 664 T HN 0.649 nan 8.240 nan 0.000 0.467 665 E N 0.160 120.456 120.200 0.159 0.000 2.152 665 E HA -0.082 4.272 4.350 0.007 0.000 0.192 665 E C 1.778 178.465 176.600 0.145 0.000 0.983 665 E CA 0.653 57.135 56.400 0.137 0.000 0.818 665 E CB -0.205 29.582 29.700 0.146 0.000 0.758 665 E HN 0.594 nan 8.360 nan 0.000 0.467 666 Y N 1.484 121.813 120.300 0.049 0.000 2.352 666 Y HA -0.109 4.446 4.550 0.007 0.000 0.292 666 Y C 1.367 177.284 175.900 0.029 0.000 1.136 666 Y CA 1.113 59.235 58.100 0.036 0.000 1.227 666 Y CB 0.267 38.748 38.460 0.035 0.000 0.991 666 Y HN -0.134 nan 8.280 nan 0.000 0.545 667 Q N 1.846 121.650 119.800 0.008 0.000 3.041 667 Q HA 0.185 4.529 4.340 0.007 0.000 0.372 667 Q C -1.352 174.621 176.000 -0.046 0.000 1.241 667 Q CA -0.311 55.449 55.803 -0.072 0.000 1.010 667 Q CB -0.095 28.663 28.738 0.033 0.000 1.467 667 Q HN 0.343 nan 8.270 nan 0.000 0.462 679 Y N 2.339 122.678 120.300 0.065 0.000 2.535 679 Y HA 0.485 5.039 4.550 0.007 0.000 0.341 679 Y C -0.689 175.266 175.900 0.092 0.000 1.041 679 Y CA -0.213 57.928 58.100 0.069 0.000 1.307 679 Y CB 1.309 39.816 38.460 0.078 0.000 1.095 679 Y HN 0.206 nan 8.280 nan 0.000 0.534 680 T N 0.376 114.854 114.554 -0.125 0.000 2.762 680 T HA 0.090 4.444 4.350 0.007 0.000 0.272 680 T C 0.802 175.477 174.700 -0.041 0.000 0.982 680 T CA -0.674 61.424 62.100 -0.003 0.000 1.013 680 T CB 0.800 69.701 68.868 0.056 0.000 1.309 680 T HN 0.723 nan 8.240 nan 0.000 0.572 681 W N 0.687 121.942 121.300 -0.075 0.000 2.335 681 W HA -0.215 4.449 4.660 0.007 0.000 0.311 681 W C 2.361 178.830 176.519 -0.083 0.000 1.213 681 W CA 2.173 59.492 57.345 -0.044 0.000 1.274 681 W CB -0.594 28.853 29.460 -0.023 0.000 1.148 681 W HN 0.720 nan 8.180 nan 0.000 0.498 682 S N 0.776 116.439 115.700 -0.061 0.000 2.374 682 S HA -0.261 4.213 4.470 0.007 0.000 0.227 682 S C 2.159 176.569 174.600 -0.316 0.000 1.037 682 S CA 2.899 60.990 58.200 -0.182 0.000 1.024 682 S CB -0.787 62.368 63.200 -0.075 0.000 0.861 682 S HN 0.429 nan 8.310 nan 0.000 0.456 683 S N 1.270 116.771 115.700 -0.332 0.000 2.402 683 S HA 0.011 4.486 4.470 0.007 0.000 0.229 683 S C 1.863 176.190 174.600 -0.456 0.000 1.021 683 S CA 1.151 59.111 58.200 -0.400 0.000 0.974 683 S CB -0.801 62.080 63.200 -0.533 0.000 0.800 683 S HN 0.523 nan 8.310 nan 0.000 0.484 684 L N 0.532 121.440 121.223 -0.525 0.000 1.970 684 L HA -0.067 4.278 4.340 0.007 0.000 0.212 684 L C 2.625 179.229 176.870 -0.443 0.000 1.071 684 L CA 1.172 55.738 54.840 -0.457 0.000 0.751 684 L CB -0.813 40.950 42.059 -0.493 0.000 0.889 684 L HN 0.283 nan 8.230 nan 0.000 0.432 685 L N 0.193 121.065 121.223 -0.585 0.000 2.051 685 L HA -0.281 4.063 4.340 0.007 0.000 0.214 685 L C 2.244 178.913 176.870 -0.335 0.000 1.076 685 L CA 1.901 56.449 54.840 -0.487 0.000 0.758 685 L CB -0.939 40.780 42.059 -0.567 0.000 0.890 685 L HN 0.324 nan 8.230 nan 0.000 0.433 686 N N -0.195 118.324 118.700 -0.302 0.000 2.250 686 N HA -0.096 4.648 4.740 0.007 0.000 0.181 686 N C 1.205 176.610 175.510 -0.175 0.000 1.017 686 N CA 1.004 53.923 53.050 -0.219 0.000 0.866 686 N CB -0.072 38.300 38.487 -0.191 0.000 0.985 686 N HN 0.546 nan 8.380 nan 0.000 0.429 687 E N 0.197 120.287 120.200 -0.183 0.000 2.359 687 E HA 0.176 4.530 4.350 0.007 0.000 0.187 687 E C 0.234 176.758 176.600 -0.127 0.000 1.081 687 E CA -0.262 56.058 56.400 -0.134 0.000 0.929 687 E CB -0.219 29.406 29.700 -0.124 0.000 1.086 687 E HN 0.274 nan 8.360 nan 0.000 0.462 688 G N 1.272 109.991 108.800 -0.135 0.000 2.338 688 G HA2 -0.277 3.687 3.960 0.007 0.000 0.296 688 G HA3 -0.277 3.687 3.960 0.007 0.000 0.296 688 G C 0.466 175.313 174.900 -0.087 0.000 1.040 688 G CA 0.340 45.379 45.100 -0.103 0.000 1.004 688 G HN 0.351 nan 8.290 nan 0.000 0.509 689 L N -1.934 119.215 121.223 -0.124 0.000 2.577 689 L HA 0.365 4.709 4.340 0.007 0.000 0.225 689 L C 0.816 177.664 176.870 -0.036 0.000 1.053 689 L CA 0.281 55.075 54.840 -0.077 0.000 0.866 689 L CB 0.538 42.523 42.059 -0.125 0.000 1.132 689 L HN 0.168 nan 8.230 nan 0.000 0.486 690 V N -0.353 119.472 119.914 -0.149 0.000 2.789 690 V HA 0.374 4.498 4.120 0.007 0.000 0.311 690 V C -0.722 175.289 176.094 -0.139 0.000 1.073 690 V CA -0.813 61.400 62.300 -0.145 0.000 0.921 690 V CB 2.504 34.111 31.823 -0.361 0.000 1.009 690 V HN 0.048 nan 8.190 nan 0.000 0.426 691 E N 1.601 121.763 120.200 -0.063 0.000 2.244 691 E HA 0.507 4.861 4.350 0.007 0.000 0.266 691 E C -1.568 175.120 176.600 0.147 0.000 0.914 691 E CA -0.736 55.629 56.400 -0.057 0.000 0.794 691 E CB 2.535 32.168 29.700 -0.111 0.000 1.210 691 E HN 0.647 nan 8.360 nan 0.000 0.414 692 Y N 1.803 122.056 120.300 -0.080 0.000 2.308 692 Y HA 0.318 4.872 4.550 0.007 0.000 0.329 692 Y C 0.116 175.978 175.900 -0.063 0.000 1.111 692 Y CA -0.965 57.117 58.100 -0.031 0.000 1.179 692 Y CB 0.963 39.338 38.460 -0.142 0.000 1.201 692 Y HN 0.156 nan 8.280 nan 0.000 0.483 693 I N 4.353 125.011 120.570 0.146 0.000 2.466 693 I HA 0.134 4.308 4.170 0.007 0.000 0.289 693 I C -0.452 175.761 176.117 0.159 0.000 1.026 693 I CA -0.843 60.515 61.300 0.096 0.000 1.078 693 I CB 1.605 39.627 38.000 0.036 0.000 1.249 693 I HN 0.678 nan 8.210 nan 0.000 0.429 694 D N 4.934 125.428 120.400 0.157 0.000 2.440 694 D HA 0.415 5.059 4.640 0.007 0.000 0.258 694 D C 0.745 177.140 176.300 0.158 0.000 1.092 694 D CA -0.564 53.543 54.000 0.178 0.000 1.016 694 D CB 1.849 42.752 40.800 0.171 0.000 1.141 694 D HN 0.436 nan 8.370 nan 0.000 0.552 695 A N -0.003 122.915 122.820 0.163 0.000 1.972 695 A HA -0.203 4.122 4.320 0.007 0.000 0.219 695 A C 1.964 179.688 177.584 0.232 0.000 1.169 695 A CA 1.898 54.054 52.037 0.199 0.000 0.635 695 A CB -0.769 18.364 19.000 0.222 0.000 0.810 695 A HN 0.664 nan 8.150 nan 0.000 0.446 696 E N 0.218 120.513 120.200 0.159 0.000 2.051 696 E HA -0.187 4.168 4.350 0.007 0.000 0.192 696 E C 1.942 178.621 176.600 0.132 0.000 0.991 696 E CA 1.708 58.177 56.400 0.114 0.000 0.799 696 E CB -0.284 29.446 29.700 0.049 0.000 0.748 696 E HN 0.675 nan 8.360 nan 0.000 0.449 697 E N -0.098 120.185 120.200 0.139 0.000 2.208 697 E HA -0.191 4.163 4.350 0.007 0.000 0.193 697 E C 1.811 178.499 176.600 0.148 0.000 0.988 697 E CA 0.608 57.088 56.400 0.134 0.000 0.828 697 E CB -0.020 29.754 29.700 0.123 0.000 0.763 697 E HN 0.345 nan 8.360 nan 0.000 0.478 698 E N 0.507 120.805 120.200 0.162 0.000 2.171 698 E HA -0.235 4.119 4.350 0.007 0.000 0.197 698 E C 1.827 178.515 176.600 0.148 0.000 0.997 698 E CA 0.940 57.442 56.400 0.170 0.000 0.810 698 E CB 0.148 29.952 29.700 0.173 0.000 0.738 698 E HN 0.194 nan 8.360 nan 0.000 0.467 699 E N -0.000 120.287 120.200 0.144 0.000 2.147 699 E HA -0.174 4.180 4.350 0.007 0.000 0.199 699 E C 1.683 178.332 176.600 0.081 0.000 1.005 699 E CA 1.536 58.008 56.400 0.119 0.000 0.810 699 E CB -0.133 29.636 29.700 0.115 0.000 0.736 699 E HN 0.251 nan 8.360 nan 0.000 0.460 700 S N 0.280 116.029 115.700 0.081 0.000 2.573 700 S HA 0.214 4.688 4.470 0.007 0.000 0.244 700 S C 0.607 175.235 174.600 0.047 0.000 0.984 700 S CA -0.656 57.578 58.200 0.056 0.000 1.001 700 S CB -0.237 62.994 63.200 0.051 0.000 0.788 700 S HN 0.199 nan 8.310 nan 0.000 0.456 701 I N -0.952 119.654 120.570 0.059 0.000 2.892 701 I HA 0.760 4.934 4.170 0.007 0.000 0.306 701 I C -1.808 174.313 176.117 0.007 0.000 1.078 701 I CA -1.521 59.794 61.300 0.025 0.000 1.032 701 I CB 1.956 40.042 38.000 0.142 0.000 1.229 701 I HN 0.193 nan 8.210 nan 0.000 0.435 702 L N 5.418 126.622 121.223 -0.031 0.000 2.365 702 L HA 0.670 5.014 4.340 0.007 0.000 0.273 702 L C -1.023 175.962 176.870 0.192 0.000 1.000 702 L CA -0.316 54.547 54.840 0.039 0.000 0.819 702 L CB 1.527 43.543 42.059 -0.072 0.000 1.284 702 L HN 0.583 nan 8.230 nan 0.000 0.418 703 I N 3.375 124.103 120.570 0.264 0.000 2.785 703 I HA 0.801 4.975 4.170 0.007 0.000 0.302 703 I C -0.432 175.803 176.117 0.198 0.000 1.069 703 I CA -0.808 60.638 61.300 0.244 0.000 1.045 703 I CB 2.126 40.239 38.000 0.189 0.000 1.236 703 I HN 0.718 nan 8.210 nan 0.000 0.429 704 A N 4.026 126.818 122.820 -0.047 0.000 2.356 704 A HA 0.726 5.050 4.320 0.007 0.000 0.323 704 A C -0.036 177.496 177.584 -0.087 0.000 1.119 704 A CA -0.549 51.339 52.037 -0.247 0.000 0.790 704 A CB 1.589 20.131 19.000 -0.763 0.000 1.273 704 A HN 0.683 nan 8.150 nan 0.000 0.452 705 M N 0.533 120.086 119.600 -0.078 0.000 3.145 705 M HA 0.108 4.592 4.480 0.007 0.000 0.255 705 M C 0.348 176.639 176.300 -0.015 0.000 1.341 705 M CA 1.333 56.612 55.300 -0.034 0.000 1.129 705 M CB -0.706 31.861 32.600 -0.056 0.000 0.885 705 M HN 0.705 nan 8.290 nan 0.000 0.630 706 Q N 1.341 121.128 119.800 -0.022 0.000 2.655 706 Q HA -0.161 4.183 4.340 0.007 0.000 0.153 706 Q C -2.151 173.836 176.000 -0.022 0.000 1.393 706 Q CA 0.581 56.388 55.803 0.006 0.000 0.622 706 Q CB -1.116 27.618 28.738 -0.006 0.000 0.750 706 Q HN 0.385 nan 8.270 nan 0.000 0.315 707 P HA 0.153 nan 4.420 nan 0.000 0.221 707 P C 0.193 177.443 177.300 -0.082 0.000 1.854 707 P CA 0.345 63.414 63.100 -0.052 0.000 0.985 707 P CB 0.352 32.037 31.700 -0.024 0.000 1.711 708 E N -0.183 119.976 120.200 -0.067 0.000 1.916 708 E HA -0.037 4.317 4.350 0.007 0.000 0.163 708 E C -0.506 176.086 176.600 -0.013 0.000 0.816 708 E CA 0.192 56.574 56.400 -0.030 0.000 1.258 708 E CB -0.388 29.314 29.700 0.003 0.000 2.604 708 E HN -0.036 nan 8.360 nan 0.000 0.627 709 D N 0.363 120.744 120.400 -0.032 0.000 2.433 709 D HA 0.351 4.995 4.640 0.007 0.000 0.211 709 D C 0.793 177.094 176.300 0.002 0.000 1.114 709 D CA 0.394 54.392 54.000 -0.004 0.000 0.837 709 D CB 0.652 41.452 40.800 -0.001 0.000 0.984 709 D HN 0.238 nan 8.370 nan 0.000 0.505 710 L N -0.173 121.045 121.223 -0.009 0.000 1.258 710 L HA -0.090 4.255 4.340 0.007 0.000 0.498 710 L C 0.423 177.206 176.870 -0.145 0.000 0.792 710 L CA 0.527 55.309 54.840 -0.097 0.000 1.947 710 L CB -0.798 41.177 42.059 -0.140 0.000 1.294 710 L HN 0.227 nan 8.230 nan 0.000 0.409 711 E N -1.738 118.447 120.200 -0.025 0.000 2.447 711 E HA 0.164 4.519 4.350 0.007 0.000 0.244 711 E C -1.990 174.681 176.600 0.117 0.000 1.098 711 E CA 0.028 56.454 56.400 0.043 0.000 1.724 711 E CB -0.030 29.675 29.700 0.009 0.000 3.247 711 E HN 0.256 nan 8.360 nan 0.000 1.055 712 P HA 0.297 nan 4.420 nan 0.000 0.323 712 P C -0.257 177.052 177.300 0.016 0.000 1.319 712 P CA 0.035 63.194 63.100 0.097 0.000 0.741 712 P CB 0.129 31.870 31.700 0.069 0.000 1.545 713 A N -0.896 121.918 122.820 -0.010 0.000 2.271 713 A HA 0.449 4.773 4.320 0.007 0.000 0.288 713 A C 0.359 177.934 177.584 -0.016 0.000 1.094 713 A CA -0.425 51.585 52.037 -0.046 0.000 0.828 713 A CB 0.084 19.053 19.000 -0.052 0.000 1.091 713 A HN 0.469 nan 8.150 nan 0.000 0.493 723 V N -0.956 118.974 119.914 0.026 0.000 3.049 723 V HA 0.550 4.674 4.120 0.007 0.000 0.309 723 V C -0.635 175.479 176.094 0.033 0.000 1.148 723 V CA -0.998 61.321 62.300 0.031 0.000 0.990 723 V CB 2.421 34.263 31.823 0.032 0.000 1.039 723 V HN 0.018 nan 8.190 nan 0.000 0.430 724 D N 3.684 124.107 120.400 0.038 0.000 2.417 724 D HA 0.233 4.877 4.640 0.007 0.000 0.250 724 D C -1.296 175.028 176.300 0.040 0.000 1.166 724 D CA -0.810 53.215 54.000 0.041 0.000 0.881 724 D CB 2.201 43.029 40.800 0.048 0.000 1.164 724 D HN 0.572 nan 8.370 nan 0.000 0.467 725 P HA -0.003 nan 4.420 nan 0.000 0.224 725 P C 0.851 178.175 177.300 0.040 0.000 1.157 725 P CA 0.353 63.474 63.100 0.035 0.000 0.799 725 P CB 0.295 32.013 31.700 0.029 0.000 0.809 726 A N 0.053 122.898 122.820 0.043 0.000 2.067 726 A HA -0.018 4.306 4.320 0.007 0.000 0.217 726 A C 1.375 178.996 177.584 0.061 0.000 1.156 726 A CA 0.556 52.622 52.037 0.048 0.000 0.683 726 A CB -0.647 18.381 19.000 0.045 0.000 0.808 726 A HN 0.157 nan 8.150 nan 0.000 0.455 727 K N 0.653 121.092 120.400 0.065 0.000 2.230 727 K HA 0.225 4.549 4.320 0.007 0.000 0.253 727 K C 0.343 176.990 176.600 0.078 0.000 1.008 727 K CA -0.373 55.962 56.287 0.081 0.000 0.910 727 K CB 0.454 33.001 32.500 0.079 0.000 0.994 727 K HN 0.567 nan 8.250 nan 0.000 0.495 728 R N 0.724 121.279 120.500 0.092 0.000 2.738 728 R HA 0.247 4.592 4.340 0.007 0.000 0.275 728 R C -0.057 176.281 176.300 0.063 0.000 1.121 728 R CA -0.511 55.637 56.100 0.080 0.000 1.207 728 R CB 0.132 30.487 30.300 0.092 0.000 1.141 728 R HN 0.291 nan 8.270 nan 0.000 0.571 729 I N 1.006 121.607 120.570 0.051 0.000 2.354 729 I HA 0.336 4.511 4.170 0.007 0.000 0.286 729 I C 0.126 176.264 176.117 0.034 0.000 1.007 729 I CA -0.677 60.647 61.300 0.040 0.000 1.167 729 I CB 1.080 39.098 38.000 0.030 0.000 1.320 729 I HN 0.635 nan 8.210 nan 0.000 0.458 730 R N 3.851 124.371 120.500 0.034 0.000 2.536 730 R HA 0.580 4.924 4.340 0.007 0.000 0.279 730 R C 0.553 176.864 176.300 0.018 0.000 1.001 730 R CA -0.494 55.622 56.100 0.026 0.000 1.027 730 R CB 1.871 32.190 30.300 0.032 0.000 1.096 730 R HN 0.415 nan 8.270 nan 0.000 0.502 731 V N 0.511 120.431 119.914 0.010 0.000 2.267 731 V HA 0.024 4.149 4.120 0.007 0.000 0.228 731 V C 0.566 176.670 176.094 0.018 0.000 1.040 731 V CA 0.986 63.291 62.300 0.008 0.000 1.010 731 V CB -0.305 31.516 31.823 -0.003 0.000 0.649 731 V HN 0.699 nan 8.190 nan 0.000 0.464 736 T N -1.863 112.584 114.554 -0.178 0.000 3.935 736 T HA -0.230 4.124 4.350 0.007 0.000 0.346 736 T C 0.538 175.192 174.700 -0.076 0.000 0.758 736 T CA 2.164 64.258 62.100 -0.009 0.000 1.874 736 T CB -2.675 66.222 68.868 0.047 0.000 1.875 736 T HN 1.775 nan 8.240 nan 0.000 0.802 737 T N -0.611 113.777 114.554 -0.277 0.000 3.399 737 T HA 0.502 4.856 4.350 0.007 0.000 0.305 737 T C 0.103 174.694 174.700 -0.182 0.000 0.983 737 T CA -0.757 61.234 62.100 -0.182 0.000 0.967 737 T CB -0.233 68.531 68.868 -0.173 0.000 1.186 737 T HN 0.446 nan 8.240 nan 0.000 0.504 738 F N 2.036 121.971 119.950 -0.026 0.000 2.589 738 F HA 0.214 4.745 4.527 0.007 0.000 0.352 738 F C 2.267 178.011 175.800 -0.093 0.000 1.168 738 F CA 0.822 58.791 58.000 -0.051 0.000 1.353 738 F CB 0.903 39.891 39.000 -0.021 0.000 1.116 738 F HN 0.221 nan 8.300 nan 0.000 0.608 739 T N -1.922 112.636 114.554 0.007 0.000 3.053 739 T HA 0.186 4.540 4.350 0.007 0.000 0.236 739 T C -0.391 174.174 174.700 -0.225 0.000 0.996 739 T CA 0.395 62.342 62.100 -0.256 0.000 1.185 739 T CB -0.160 68.309 68.868 -0.664 0.000 0.892 739 T HN 0.614 nan 8.240 nan 0.000 0.432 740 H N -1.195 117.973 119.070 0.163 0.000 3.029 740 H HA 0.675 5.235 4.556 0.007 0.000 0.358 740 H C -1.202 174.205 175.328 0.130 0.000 1.129 740 H CA -1.417 54.715 56.048 0.140 0.000 1.230 740 H CB 0.272 30.113 29.762 0.132 0.000 1.827 740 H HN 0.228 nan 8.280 nan 0.000 0.530 741 C N 1.808 121.259 119.300 0.252 0.000 2.605 741 C HA 0.302 4.766 4.460 0.007 0.000 0.404 741 C C 0.921 176.066 174.990 0.259 0.000 1.284 741 C CA 0.050 59.178 59.018 0.182 0.000 2.199 741 C CB -0.034 27.805 27.740 0.166 0.000 2.647 741 C HN 0.915 nan 8.230 nan 0.000 0.604 742 E N 1.648 121.955 120.200 0.179 0.000 2.373 742 E HA 0.200 4.554 4.350 0.007 0.000 0.263 742 E C 0.838 177.526 176.600 0.146 0.000 1.073 742 E CA -0.285 56.191 56.400 0.127 0.000 0.894 742 E CB 0.393 30.162 29.700 0.114 0.000 1.008 742 E HN 0.401 nan 8.360 nan 0.000 0.420 743 I N 1.765 122.298 120.570 -0.061 0.000 2.060 743 I HA -0.106 4.068 4.170 0.007 0.000 0.233 743 I C 0.788 176.916 176.117 0.018 0.000 1.054 743 I CA 1.539 62.726 61.300 -0.187 0.000 1.318 743 I CB -1.239 36.492 38.000 -0.447 0.000 1.054 743 I HN 0.657 nan 8.210 nan 0.000 0.395 744 H N 1.377 120.309 119.070 -0.230 0.000 3.042 744 H HA 0.250 4.810 4.556 0.007 0.000 0.345 744 H C -2.092 173.161 175.328 -0.125 0.000 1.052 744 H CA -1.245 54.684 56.048 -0.198 0.000 1.311 744 H CB 2.143 31.625 29.762 -0.468 0.000 1.810 744 H HN -0.215 nan 8.280 nan 0.000 0.505 745 P HA -0.266 nan 4.420 nan 0.000 0.218 745 P C 1.135 178.341 177.300 -0.156 0.000 1.154 745 P CA 2.098 65.005 63.100 -0.321 0.000 0.872 745 P CB 0.057 31.488 31.700 -0.448 0.000 0.790 746 S N -2.426 113.282 115.700 0.014 0.000 2.595 746 S HA -0.011 4.463 4.470 0.007 0.000 0.235 746 S C 1.604 176.264 174.600 0.099 0.000 0.974 746 S CA 0.468 58.845 58.200 0.296 0.000 0.942 746 S CB -0.935 62.573 63.200 0.513 0.000 0.766 746 S HN -0.062 nan 8.310 nan 0.000 0.536 747 M N 1.414 120.979 119.600 -0.059 0.000 2.495 747 M HA 0.312 4.796 4.480 0.007 0.000 0.237 747 M C 1.678 177.831 176.300 -0.244 0.000 1.131 747 M CA -0.049 55.159 55.300 -0.153 0.000 1.032 747 M CB -0.949 31.509 32.600 -0.236 0.000 1.513 747 M HN 0.624 nan 8.290 nan 0.000 0.488 748 I N -1.388 118.983 120.570 -0.332 0.000 2.454 748 I HA -0.115 4.059 4.170 0.007 0.000 0.254 748 I C 0.778 176.737 176.117 -0.263 0.000 1.156 748 I CA 0.580 61.603 61.300 -0.462 0.000 1.433 748 I CB -0.639 36.909 38.000 -0.754 0.000 1.082 748 I HN -0.023 nan 8.210 nan 0.000 0.432 749 L N 1.569 122.702 121.223 -0.151 0.000 2.473 749 L HA 0.337 4.682 4.340 0.007 0.000 0.268 749 L C 1.335 178.153 176.870 -0.087 0.000 1.215 749 L CA 0.046 54.831 54.840 -0.091 0.000 0.823 749 L CB -0.261 41.773 42.059 -0.041 0.000 1.099 749 L HN 0.239 nan 8.230 nan 0.000 0.483 750 G N 0.764 109.521 108.800 -0.071 0.000 2.975 750 G HA2 0.362 4.327 3.960 0.007 0.000 0.159 750 G HA3 0.362 4.327 3.960 0.007 0.000 0.159 750 G C 0.896 175.777 174.900 -0.032 0.000 1.525 750 G CA -0.195 44.871 45.100 -0.056 0.000 1.075 750 G HN 0.369 nan 8.290 nan 0.000 0.574 751 V N 0.885 120.784 119.914 -0.024 0.000 2.284 751 V HA 0.091 4.215 4.120 0.007 0.000 0.236 751 V C 3.308 179.396 176.094 -0.009 0.000 1.044 751 V CA 1.886 64.181 62.300 -0.008 0.000 1.019 751 V CB -1.094 30.726 31.823 -0.005 0.000 0.657 751 V HN 0.671 nan 8.190 nan 0.000 0.465 752 A N 0.017 122.831 122.820 -0.010 0.000 2.084 752 A HA -0.114 4.210 4.320 0.007 0.000 0.221 752 A C 2.238 179.801 177.584 -0.035 0.000 1.161 752 A CA 2.144 54.176 52.037 -0.007 0.000 0.653 752 A CB -0.678 18.318 19.000 -0.007 0.000 0.802 752 A HN 0.630 nan 8.150 nan 0.000 0.457 753 A N -1.462 121.332 122.820 -0.042 0.000 1.970 753 A HA 0.083 4.407 4.320 0.007 0.000 0.216 753 A C 2.245 179.789 177.584 -0.067 0.000 1.170 753 A CA 1.488 53.494 52.037 -0.052 0.000 0.645 753 A CB -0.511 18.462 19.000 -0.046 0.000 0.816 753 A HN 0.382 nan 8.150 nan 0.000 0.447 754 S N -0.024 115.640 115.700 -0.060 0.000 2.607 754 S HA 0.063 4.537 4.470 0.007 0.000 0.224 754 S C 1.365 175.887 174.600 -0.129 0.000 0.969 754 S CA 0.291 58.449 58.200 -0.070 0.000 0.927 754 S CB -0.332 62.850 63.200 -0.029 0.000 0.772 754 S HN 0.463 nan 8.310 nan 0.000 0.533 755 I N 0.983 121.460 120.570 -0.155 0.000 3.059 755 I HA 0.130 4.304 4.170 0.007 0.000 0.270 755 I C 0.600 176.547 176.117 -0.283 0.000 1.238 755 I CA 0.512 61.638 61.300 -0.289 0.000 1.478 755 I CB -0.859 36.986 38.000 -0.259 0.000 1.097 755 I HN 0.200 nan 8.210 nan 0.000 0.455 756 I N 5.093 125.542 120.570 -0.202 0.000 2.436 756 I HA 0.091 4.265 4.170 0.007 0.000 0.289 756 I C -1.967 174.047 176.117 -0.171 0.000 1.083 756 I CA -1.432 59.747 61.300 -0.202 0.000 1.372 756 I CB 0.403 38.326 38.000 -0.128 0.000 1.408 756 I HN -0.128 nan 8.210 nan 0.000 0.516 757 P HA 0.113 nan 4.420 nan 0.000 0.280 757 P C -0.323 177.087 177.300 0.183 0.000 1.244 757 P CA -0.186 62.864 63.100 -0.083 0.000 0.784 757 P CB 0.396 32.129 31.700 0.056 0.000 0.913 758 F N 1.605 121.590 119.950 0.057 0.000 2.943 758 F HA -0.166 4.365 4.527 0.007 0.000 0.258 758 F C -0.974 174.905 175.800 0.132 0.000 0.995 758 F CA 0.015 58.097 58.000 0.137 0.000 0.896 758 F CB -1.961 37.123 39.000 0.139 0.000 0.821 758 F HN 0.367 nan 8.300 nan 0.000 0.828 759 P HA -0.159 nan 4.420 nan 0.000 0.223 759 P C 1.333 178.660 177.300 0.044 0.000 1.151 759 P CA 1.879 65.019 63.100 0.067 0.000 0.787 759 P CB 0.077 31.750 31.700 -0.045 0.000 0.788 760 D N -0.938 119.429 120.400 -0.056 0.000 2.219 760 D HA -0.193 4.451 4.640 0.007 0.000 0.205 760 D C 1.170 177.421 176.300 -0.082 0.000 0.970 760 D CA 1.059 55.007 54.000 -0.087 0.000 0.851 760 D CB -1.333 39.328 40.800 -0.230 0.000 0.943 760 D HN 0.318 nan 8.370 nan 0.000 0.488 761 H N -0.211 118.926 119.070 0.112 0.000 2.567 761 H HA 0.325 4.885 4.556 0.007 0.000 0.294 761 H C -0.257 175.101 175.328 0.050 0.000 1.050 761 H CA -0.200 55.894 56.048 0.078 0.000 1.168 761 H CB -0.076 29.717 29.762 0.053 0.000 1.422 761 H HN 0.108 nan 8.280 nan 0.000 0.562 762 N N 0.667 119.453 118.700 0.144 0.000 2.242 762 N HA 0.050 4.794 4.740 0.007 0.000 0.292 762 N C -0.937 174.629 175.510 0.094 0.000 1.125 762 N CA -0.574 52.550 53.050 0.124 0.000 0.783 762 N CB 2.262 40.868 38.487 0.199 0.000 1.558 762 N HN 0.080 nan 8.380 nan 0.000 0.472 763 Q N 1.562 121.408 119.800 0.075 0.000 2.286 763 Q HA 0.164 4.509 4.340 0.007 0.000 0.265 763 Q C 0.471 176.516 176.000 0.076 0.000 1.080 763 Q CA 0.163 56.004 55.803 0.062 0.000 0.906 763 Q CB 0.463 29.226 28.738 0.042 0.000 1.227 763 Q HN 0.702 nan 8.270 nan 0.000 0.409 764 S N 5.611 121.354 115.700 0.072 0.000 2.389 764 S HA -0.144 4.330 4.470 0.007 0.000 0.231 764 S C -0.998 173.653 174.600 0.086 0.000 1.052 764 S CA 1.720 59.964 58.200 0.074 0.000 1.053 764 S CB -0.585 62.652 63.200 0.062 0.000 0.886 764 S HN 0.751 nan 8.310 nan 0.000 0.456 765 P HA -0.137 nan 4.420 nan 0.000 0.220 765 P C 1.058 178.511 177.300 0.255 0.000 1.144 765 P CA 1.094 64.285 63.100 0.152 0.000 0.800 765 P CB -0.074 31.711 31.700 0.142 0.000 0.772 766 R N -0.616 119.988 120.500 0.173 0.000 2.066 766 R HA 0.032 4.376 4.340 0.007 0.000 0.224 766 R C 2.079 178.482 176.300 0.172 0.000 1.122 766 R CA 0.577 56.783 56.100 0.178 0.000 0.974 766 R CB -1.103 29.265 30.300 0.113 0.000 0.871 766 R HN 0.197 nan 8.270 nan 0.000 0.435 767 N N 0.619 119.393 118.700 0.124 0.000 2.091 767 N HA -0.154 4.590 4.740 0.007 0.000 0.193 767 N C 1.681 177.224 175.510 0.054 0.000 1.021 767 N CA 1.962 55.059 53.050 0.077 0.000 0.862 767 N CB -0.557 37.967 38.487 0.060 0.000 1.018 767 N HN 0.179 nan 8.380 nan 0.000 0.429 768 T N 0.095 114.684 114.554 0.057 0.000 2.674 768 T HA -0.114 4.240 4.350 0.007 0.000 0.265 768 T C 1.707 176.398 174.700 -0.015 0.000 1.039 768 T CA 0.984 63.081 62.100 -0.004 0.000 1.150 768 T CB -0.511 68.335 68.868 -0.037 0.000 0.864 768 T HN 0.272 nan 8.240 nan 0.000 0.427 769 Y N 1.395 121.691 120.300 -0.007 0.000 2.256 769 Y HA -0.201 4.353 4.550 0.007 0.000 0.288 769 Y C 2.786 178.681 175.900 -0.009 0.000 1.155 769 Y CA 1.518 59.614 58.100 -0.005 0.000 1.203 769 Y CB -0.204 38.259 38.460 0.005 0.000 0.980 769 Y HN 0.195 nan 8.280 nan 0.000 0.530 770 Q N -0.191 119.688 119.800 0.132 0.000 2.172 770 Q HA -0.106 4.238 4.340 0.007 0.000 0.200 770 Q C 2.038 178.047 176.000 0.015 0.000 0.964 770 Q CA 1.943 57.778 55.803 0.053 0.000 0.855 770 Q CB -0.345 28.395 28.738 0.002 0.000 0.918 770 Q HN 0.265 nan 8.270 nan 0.000 0.444 771 S N 0.436 116.135 115.700 -0.002 0.000 2.356 771 S HA -0.095 4.379 4.470 0.007 0.000 0.223 771 S C 1.948 176.532 174.600 -0.026 0.000 1.032 771 S CA 1.087 59.274 58.200 -0.022 0.000 1.005 771 S CB -0.626 62.550 63.200 -0.041 0.000 0.867 771 S HN 0.615 nan 8.310 nan 0.000 0.449 772 A N 0.922 123.717 122.820 -0.043 0.000 2.067 772 A HA 0.094 4.418 4.320 0.007 0.000 0.219 772 A C 2.019 179.590 177.584 -0.023 0.000 1.158 772 A CA 1.007 53.012 52.037 -0.052 0.000 0.661 772 A CB -0.487 18.456 19.000 -0.095 0.000 0.801 772 A HN 0.481 nan 8.150 nan 0.000 0.452 773 M N -1.443 118.160 119.600 0.004 0.000 2.486 773 M HA 0.062 4.547 4.480 0.007 0.000 0.264 773 M C 2.238 178.548 176.300 0.017 0.000 1.125 773 M CA 0.819 56.128 55.300 0.015 0.000 1.144 773 M CB -0.236 32.389 32.600 0.041 0.000 1.353 773 M HN 0.468 nan 8.290 nan 0.000 0.466 774 G N 1.812 110.629 108.800 0.028 0.000 2.450 774 G HA2 -0.208 3.756 3.960 0.007 0.000 0.220 774 G HA3 -0.208 3.756 3.960 0.007 0.000 0.220 774 G C 1.304 176.249 174.900 0.076 0.000 1.130 774 G CA 0.755 45.895 45.100 0.067 0.000 0.760 774 G HN 0.453 nan 8.290 nan 0.000 0.557 775 K N 0.009 120.428 120.400 0.031 0.000 2.520 775 K HA 0.214 4.538 4.320 0.007 0.000 0.205 775 K C 1.185 177.754 176.600 -0.052 0.000 1.035 775 K CA 0.112 56.411 56.287 0.019 0.000 1.188 775 K CB 0.434 32.934 32.500 -0.001 0.000 0.894 775 K HN 0.348 nan 8.250 nan 0.000 0.497 776 Q N -0.101 119.667 119.800 -0.054 0.000 2.140 776 Q HA 0.238 4.582 4.340 0.007 0.000 0.227 776 Q C 0.136 176.135 176.000 -0.002 0.000 0.798 776 Q CA -0.359 55.332 55.803 -0.186 0.000 0.987 776 Q CB 1.059 29.682 28.738 -0.191 0.000 1.161 776 Q HN 0.272 nan 8.270 nan 0.000 0.480 777 A N 1.322 124.195 122.820 0.089 0.000 2.504 777 A HA 0.245 4.569 4.320 0.007 0.000 0.242 777 A C -0.139 177.559 177.584 0.191 0.000 1.100 777 A CA 0.461 52.571 52.037 0.122 0.000 0.786 777 A CB 0.248 19.332 19.000 0.141 0.000 1.050 777 A HN 0.345 nan 8.150 nan 0.000 0.512 778 M N 0.572 120.231 119.600 0.098 0.000 2.259 778 M HA 0.554 5.038 4.480 0.007 0.000 0.304 778 M C 0.253 176.559 176.300 0.011 0.000 1.019 778 M CA 0.343 55.654 55.300 0.019 0.000 0.922 778 M CB 1.907 34.503 32.600 -0.007 0.000 1.600 778 M HN 1.029 nan 8.290 nan 0.000 0.433 779 G N 2.118 110.895 108.800 -0.038 0.000 3.046 779 G HA2 0.452 4.416 3.960 0.007 0.000 0.137 779 G HA3 0.452 4.416 3.960 0.007 0.000 0.137 779 G C -1.699 173.187 174.900 -0.023 0.000 1.207 779 G CA -0.343 44.743 45.100 -0.023 0.000 1.218 779 G HN 0.420 nan 8.290 nan 0.000 0.625 780 V N 2.699 122.598 119.914 -0.026 0.000 2.266 780 V HA 0.271 4.395 4.120 0.007 0.000 0.266 780 V C 0.792 176.869 176.094 -0.029 0.000 1.036 780 V CA -0.378 61.902 62.300 -0.033 0.000 0.828 780 V CB -0.079 31.679 31.823 -0.109 0.000 1.081 780 V HN 0.661 nan 8.190 nan 0.000 0.449 781 F N 2.870 122.754 119.950 -0.110 0.000 2.186 781 F HA 0.301 4.832 4.527 0.007 0.000 0.299 781 F C 0.473 176.292 175.800 0.030 0.000 1.090 781 F CA 0.713 58.689 58.000 -0.040 0.000 1.307 781 F CB -0.009 38.939 39.000 -0.086 0.000 1.019 781 F HN 0.188 nan 8.300 nan 0.000 0.489 782 L N -0.365 120.288 121.223 -0.951 0.000 2.359 782 L HA 0.334 4.678 4.340 0.007 0.000 0.256 782 L C 0.958 177.602 176.870 -0.376 0.000 1.026 782 L CA -0.747 53.778 54.840 -0.524 0.000 0.828 782 L CB 2.107 43.878 42.059 -0.480 0.000 1.406 782 L HN -0.150 nan 8.230 nan 0.000 0.413 783 T N -1.473 112.965 114.554 -0.194 0.000 2.904 783 T HA -0.088 4.267 4.350 0.007 0.000 0.267 783 T C 1.263 175.800 174.700 -0.271 0.000 1.059 783 T CA 1.253 63.266 62.100 -0.144 0.000 1.137 783 T CB -0.348 68.521 68.868 0.001 0.000 0.879 783 T HN 0.692 nan 8.240 nan 0.000 0.467 784 N N 1.960 120.516 118.700 -0.240 0.000 2.501 784 N HA -0.083 4.661 4.740 0.007 0.000 0.195 784 N C 1.336 176.675 175.510 -0.285 0.000 1.213 784 N CA 0.105 53.011 53.050 -0.239 0.000 0.864 784 N CB -0.880 37.521 38.487 -0.144 0.000 0.999 784 N HN 0.669 nan 8.380 nan 0.000 0.454 785 Y N -0.524 119.593 120.300 -0.306 0.000 2.256 785 Y HA -0.005 4.549 4.550 0.007 0.000 0.288 785 Y C 1.717 177.494 175.900 -0.204 0.000 1.155 785 Y CA 1.083 59.016 58.100 -0.279 0.000 1.203 785 Y CB -1.191 37.070 38.460 -0.332 0.000 0.980 785 Y HN 0.012 nan 8.280 nan 0.000 0.530 786 N N 0.551 118.919 118.700 -0.553 0.000 2.573 786 N HA -0.067 4.677 4.740 0.007 0.000 0.187 786 N C 0.480 175.926 175.510 -0.106 0.000 1.107 786 N CA 1.176 54.054 53.050 -0.286 0.000 0.918 786 N CB 0.021 38.275 38.487 -0.389 0.000 0.966 786 N HN 0.434 nan 8.380 nan 0.000 0.448 787 V N -2.988 116.867 119.914 -0.098 0.000 3.111 787 V HA 0.428 4.553 4.120 0.007 0.000 0.343 787 V C 0.169 176.263 176.094 0.000 0.000 1.417 787 V CA -0.546 61.736 62.300 -0.031 0.000 1.142 787 V CB -0.175 31.627 31.823 -0.034 0.000 1.114 787 V HN -0.048 nan 8.190 nan 0.000 0.520 788 R N 1.036 121.542 120.500 0.010 0.000 2.346 788 R HA 0.630 4.974 4.340 0.007 0.000 0.311 788 R C -0.226 176.111 176.300 0.062 0.000 0.983 788 R CA -0.612 55.516 56.100 0.046 0.000 0.880 788 R CB 1.608 31.946 30.300 0.064 0.000 1.100 788 R HN 0.139 nan 8.270 nan 0.000 0.453 789 M N 3.891 123.532 119.600 0.069 0.000 3.346 789 M HA 0.102 4.587 4.480 0.007 0.000 0.240 789 M C -0.828 175.504 176.300 0.053 0.000 1.190 789 M CA -0.528 54.812 55.300 0.067 0.000 1.192 789 M CB -0.355 32.292 32.600 0.079 0.000 1.182 789 M HN 0.534 nan 8.290 nan 0.000 0.570 790 D N 0.424 120.850 120.400 0.043 0.000 2.304 790 D HA 0.176 4.820 4.640 0.007 0.000 0.247 790 D C -0.191 176.092 176.300 -0.027 0.000 1.089 790 D CA -0.232 53.776 54.000 0.014 0.000 0.910 790 D CB 0.588 41.398 40.800 0.017 0.000 1.199 790 D HN 0.094 nan 8.370 nan 0.000 0.426 791 T N 1.832 116.356 114.554 -0.051 0.000 2.738 791 T HA 0.328 4.682 4.350 0.007 0.000 0.293 791 T C 0.556 175.208 174.700 -0.081 0.000 0.913 791 T CA -0.478 61.566 62.100 -0.093 0.000 1.103 791 T CB -0.505 68.300 68.868 -0.104 0.000 0.880 791 T HN 0.422 nan 8.240 nan 0.000 0.526 792 M N 1.153 120.702 119.600 -0.084 0.000 4.046 792 M HA -0.091 4.393 4.480 0.007 0.000 0.157 792 M C -0.493 175.734 176.300 -0.122 0.000 1.532 792 M CA 0.113 55.394 55.300 -0.031 0.000 1.097 792 M CB -1.351 31.288 32.600 0.065 0.000 1.346 792 M HN 0.883 nan 8.290 nan 0.000 0.191 793 A N 4.476 127.207 122.820 -0.148 0.000 2.465 793 A HA 0.752 5.077 4.320 0.007 0.000 0.292 793 A C -0.922 176.499 177.584 -0.272 0.000 1.041 793 A CA -0.871 50.896 52.037 -0.449 0.000 0.718 793 A CB 1.408 20.093 19.000 -0.524 0.000 1.266 793 A HN 0.759 nan 8.150 nan 0.000 0.403 794 N N 1.342 119.774 118.700 -0.447 0.000 2.399 794 N HA 0.642 5.386 4.740 0.007 0.000 0.295 794 N C -1.237 174.126 175.510 -0.245 0.000 1.048 794 N CA -0.235 52.678 53.050 -0.228 0.000 0.886 794 N CB 1.989 40.312 38.487 -0.273 0.000 1.185 794 N HN 0.522 nan 8.380 nan 0.000 0.487 795 I N 1.595 122.098 120.570 -0.111 0.000 2.465 795 I HA 0.268 4.443 4.170 0.007 0.000 0.291 795 I C -0.179 175.937 176.117 -0.002 0.000 1.014 795 I CA -0.678 60.552 61.300 -0.117 0.000 1.093 795 I CB 2.063 39.904 38.000 -0.265 0.000 1.267 795 I HN 0.292 nan 8.210 nan 0.000 0.431 796 L N 5.951 127.175 121.223 0.002 0.000 2.361 796 L HA 0.152 4.496 4.340 0.007 0.000 0.278 796 L C 0.740 177.662 176.870 0.088 0.000 1.113 796 L CA 0.305 55.187 54.840 0.070 0.000 0.849 796 L CB 0.204 42.301 42.059 0.063 0.000 1.155 796 L HN 0.503 nan 8.230 nan 0.000 0.452 797 Y N 4.647 124.895 120.300 -0.087 0.000 2.062 797 Y HA -0.263 4.291 4.550 0.006 0.000 0.276 797 Y C 0.167 175.707 175.900 -0.599 0.000 1.189 797 Y CA 1.623 59.543 58.100 -0.300 0.000 1.130 797 Y CB -0.337 38.034 38.460 -0.149 0.000 0.959 797 Y HN 0.494 nan 8.280 nan 0.000 0.499 798 Y N -0.704 119.681 120.300 0.141 0.000 2.535 798 Y HA 0.375 4.929 4.550 0.006 0.000 0.341 798 Y C -2.405 173.502 175.900 0.012 0.000 1.041 798 Y CA -3.131 54.998 58.100 0.049 0.000 1.307 798 Y CB 0.806 39.289 38.460 0.038 0.000 1.095 798 Y HN -0.126 nan 8.280 nan 0.000 0.534 799 P HA 0.293 nan 4.420 nan 0.000 0.274 799 P C -0.934 176.425 177.300 0.098 0.000 1.246 799 P CA -0.402 62.745 63.100 0.079 0.000 0.795 799 P CB 0.893 32.605 31.700 0.021 0.000 1.006 800 Q N -0.150 119.733 119.800 0.140 0.000 2.313 800 Q HA 0.189 4.533 4.340 0.007 0.000 0.260 800 Q C -0.639 175.475 176.000 0.189 0.000 0.972 800 Q CA -1.050 54.839 55.803 0.143 0.000 0.886 800 Q CB 2.331 31.154 28.738 0.142 0.000 1.373 800 Q HN 0.414 nan 8.270 nan 0.000 0.416 801 K N 1.527 121.970 120.400 0.072 0.000 2.494 801 K HA 0.218 4.542 4.320 0.007 0.000 0.273 801 K C -2.252 174.264 176.600 -0.140 0.000 0.970 801 K CA -0.825 55.467 56.287 0.007 0.000 0.963 801 K CB 0.051 32.546 32.500 -0.008 0.000 0.913 801 K HN 0.168 nan 8.250 nan 0.000 0.502 802 P HA 0.014 nan 4.420 nan 0.000 0.277 802 P C 0.382 177.540 177.300 -0.237 0.000 1.276 802 P CA -0.338 62.365 63.100 -0.663 0.000 0.788 802 P CB 0.618 31.839 31.700 -0.798 0.000 1.114 803 L N -1.282 119.858 121.223 -0.138 0.000 2.316 803 L HA 0.243 4.588 4.340 0.007 0.000 0.207 803 L C 1.483 178.319 176.870 -0.056 0.000 1.070 803 L CA 0.720 55.525 54.840 -0.057 0.000 0.820 803 L CB -0.540 41.518 42.059 -0.003 0.000 0.992 803 L HN 0.444 nan 8.230 nan 0.000 0.466 804 G N -0.040 108.724 108.800 -0.060 0.000 2.343 804 G HA2 0.462 4.426 3.960 0.007 0.000 0.319 804 G HA3 0.462 4.426 3.960 0.007 0.000 0.319 804 G C -0.607 174.195 174.900 -0.163 0.000 1.126 804 G CA -0.059 45.003 45.100 -0.063 0.000 0.889 804 G HN 0.057 nan 8.290 nan 0.000 0.457 805 T N -0.869 113.576 114.554 -0.182 0.000 2.840 805 T HA 0.548 4.902 4.350 0.007 0.000 0.287 805 T C 0.291 174.846 174.700 -0.241 0.000 0.991 805 T CA -0.662 61.307 62.100 -0.217 0.000 0.964 805 T CB 1.108 69.873 68.868 -0.170 0.000 0.954 805 T HN 0.651 nan 8.240 nan 0.000 0.438 806 T N 2.244 116.645 114.554 -0.255 0.000 2.902 806 T HA 0.200 4.554 4.350 0.007 0.000 0.301 806 T C 1.562 176.134 174.700 -0.215 0.000 1.012 806 T CA -0.887 61.072 62.100 -0.234 0.000 1.151 806 T CB 0.807 69.564 68.868 -0.185 0.000 0.946 806 T HN 0.580 nan 8.240 nan 0.000 0.542 807 R N 2.339 122.651 120.500 -0.313 0.000 2.153 807 R HA -0.217 4.127 4.340 0.007 0.000 0.252 807 R C 2.481 178.669 176.300 -0.187 0.000 1.158 807 R CA 1.797 57.609 56.100 -0.479 0.000 0.975 807 R CB -1.242 28.269 30.300 -1.316 0.000 0.871 807 R HN 0.926 nan 8.270 nan 0.000 0.450 808 A N 0.129 122.921 122.820 -0.048 0.000 2.225 808 A HA -0.097 4.227 4.320 0.007 0.000 0.215 808 A C 2.061 179.702 177.584 0.094 0.000 1.164 808 A CA 0.923 53.005 52.037 0.075 0.000 0.710 808 A CB -0.370 18.681 19.000 0.085 0.000 0.780 808 A HN 0.263 nan 8.150 nan 0.000 0.473 809 M N -1.297 118.324 119.600 0.035 0.000 2.394 809 M HA -0.099 4.385 4.480 0.007 0.000 0.264 809 M C 1.995 178.371 176.300 0.126 0.000 1.073 809 M CA 1.364 56.699 55.300 0.058 0.000 1.111 809 M CB -0.180 32.397 32.600 -0.038 0.000 1.401 809 M HN 0.602 nan 8.290 nan 0.000 0.448 810 E N 0.099 120.384 120.200 0.142 0.000 2.150 810 E HA -0.186 4.168 4.350 0.007 0.000 0.193 810 E C 1.288 177.829 176.600 -0.099 0.000 0.985 810 E CA 1.318 57.718 56.400 0.000 0.000 0.814 810 E CB 0.191 29.817 29.700 -0.123 0.000 0.752 810 E HN 0.549 nan 8.360 nan 0.000 0.466 811 Y N -0.792 119.450 120.300 -0.097 0.000 2.476 811 Y HA 0.042 4.597 4.550 0.007 0.000 0.283 811 Y C 1.771 177.556 175.900 -0.192 0.000 1.109 811 Y CA -0.027 57.919 58.100 -0.256 0.000 1.246 811 Y CB 0.033 38.099 38.460 -0.656 0.000 1.068 811 Y HN 0.077 nan 8.280 nan 0.000 0.552 812 L N 0.663 121.948 121.223 0.103 0.000 2.552 812 L HA -0.025 4.319 4.340 0.007 0.000 0.227 812 L C 0.574 177.610 176.870 0.278 0.000 1.146 812 L CA 1.044 55.971 54.840 0.145 0.000 0.858 812 L CB -0.986 41.163 42.059 0.149 0.000 0.969 812 L HN 0.236 nan 8.230 nan 0.000 0.451 813 K N -1.642 118.878 120.400 0.200 0.000 3.071 813 K HA -0.281 4.043 4.320 0.007 0.000 0.265 813 K C 1.080 177.725 176.600 0.075 0.000 1.060 813 K CA 0.583 56.957 56.287 0.145 0.000 0.767 813 K CB -2.340 30.274 32.500 0.190 0.000 1.241 813 K HN 0.208 nan 8.250 nan 0.000 0.486 814 F N 1.147 121.105 119.950 0.014 0.000 2.098 814 F HA -0.055 4.476 4.527 0.007 0.000 0.294 814 F C 2.439 178.187 175.800 -0.086 0.000 1.107 814 F CA 1.282 59.273 58.000 -0.015 0.000 1.234 814 F CB 0.016 39.007 39.000 -0.015 0.000 1.002 814 F HN 0.085 nan 8.300 nan 0.000 0.472 815 R N 0.045 120.639 120.500 0.156 0.000 2.226 815 R HA -0.226 4.119 4.340 0.007 0.000 0.246 815 R C 1.409 177.675 176.300 -0.056 0.000 1.161 815 R CA 1.883 58.014 56.100 0.051 0.000 0.997 815 R CB -0.359 29.951 30.300 0.017 0.000 0.870 815 R HN 0.399 nan 8.270 nan 0.000 0.465 816 E N -0.837 119.277 120.200 -0.142 0.000 2.431 816 E HA 0.133 4.488 4.350 0.007 0.000 0.200 816 E C 0.075 176.422 176.600 -0.421 0.000 0.995 816 E CA 0.381 56.649 56.400 -0.220 0.000 0.915 816 E CB 0.697 30.312 29.700 -0.143 0.000 0.930 816 E HN 0.112 nan 8.360 nan 0.000 0.496 817 L N 1.975 122.884 121.223 -0.524 0.000 2.625 817 L HA 0.343 4.687 4.340 0.007 0.000 0.255 817 L C -2.409 174.123 176.870 -0.562 0.000 1.493 817 L CA -1.691 52.806 54.840 -0.571 0.000 0.796 817 L CB 0.978 42.537 42.059 -0.835 0.000 1.064 817 L HN -0.072 nan 8.230 nan 0.000 0.516 818 P HA 0.032 nan 4.420 nan 0.000 0.272 818 P C -0.124 177.025 177.300 -0.252 0.000 1.248 818 P CA -0.147 62.685 63.100 -0.445 0.000 0.799 818 P CB 1.083 32.784 31.700 0.001 0.000 0.997 819 A N -0.261 122.574 122.820 0.026 0.000 3.234 819 A HA 0.637 4.961 4.320 0.007 0.000 0.247 819 A C 0.134 177.839 177.584 0.201 0.000 0.938 819 A CA 0.283 52.391 52.037 0.118 0.000 1.039 819 A CB -0.186 18.885 19.000 0.117 0.000 1.197 819 A HN 0.813 nan 8.150 nan 0.000 0.498 820 G N -0.403 108.500 108.800 0.173 0.000 2.327 820 G HA2 0.484 4.448 3.960 0.007 0.000 0.291 820 G HA3 0.484 4.448 3.960 0.007 0.000 0.291 820 G C -1.867 172.970 174.900 -0.104 0.000 1.290 820 G CA -0.645 44.409 45.100 -0.076 0.000 0.857 820 G HN 0.392 nan 8.290 nan 0.000 0.520 821 Q N 0.012 119.630 119.800 -0.304 0.000 2.305 821 Q HA 0.378 4.722 4.340 0.007 0.000 0.271 821 Q C -0.803 175.195 176.000 -0.004 0.000 1.046 821 Q CA -0.992 54.714 55.803 -0.161 0.000 0.798 821 Q CB 2.282 30.716 28.738 -0.507 0.000 1.286 821 Q HN 0.404 nan 8.270 nan 0.000 0.435 822 N N 1.833 120.665 118.700 0.220 0.000 2.670 822 N HA 0.133 4.877 4.740 0.007 0.000 0.296 822 N C -1.094 174.458 175.510 0.070 0.000 1.216 822 N CA 0.195 53.377 53.050 0.219 0.000 1.123 822 N CB 0.354 38.954 38.487 0.188 0.000 1.459 822 N HN 0.572 nan 8.380 nan 0.000 0.509 823 A N 2.605 125.464 122.820 0.065 0.000 2.304 823 A HA 0.413 4.737 4.320 0.007 0.000 0.301 823 A C 0.499 178.059 177.584 -0.041 0.000 1.132 823 A CA -0.631 51.401 52.037 -0.007 0.000 0.819 823 A CB 0.804 19.819 19.000 0.025 0.000 1.094 823 A HN 0.396 nan 8.150 nan 0.000 0.492 824 I N 2.719 123.219 120.570 -0.118 0.000 2.517 824 I HA 0.098 4.272 4.170 0.007 0.000 0.285 824 I C -0.065 175.852 176.117 -0.333 0.000 1.106 824 I CA 0.447 61.602 61.300 -0.242 0.000 1.402 824 I CB 0.328 38.172 38.000 -0.259 0.000 1.399 824 I HN 0.227 nan 8.210 nan 0.000 0.535 825 V N 6.529 126.224 119.914 -0.366 0.000 2.435 825 V HA 0.604 4.728 4.120 0.007 0.000 0.290 825 V C 0.413 176.257 176.094 -0.417 0.000 1.030 825 V CA -0.717 61.414 62.300 -0.281 0.000 0.881 825 V CB 1.665 33.477 31.823 -0.018 0.000 0.983 825 V HN 0.852 nan 8.190 nan 0.000 0.445 826 A N 6.222 128.870 122.820 -0.286 0.000 2.328 826 A HA 0.644 4.968 4.320 0.007 0.000 0.318 826 A C -0.216 177.354 177.584 -0.024 0.000 1.347 826 A CA -0.490 51.439 52.037 -0.179 0.000 0.842 826 A CB 0.111 19.037 19.000 -0.124 0.000 1.148 826 A HN 0.801 nan 8.150 nan 0.000 0.499 827 I N 2.701 123.314 120.570 0.072 0.000 2.455 827 I HA 0.284 4.458 4.170 0.007 0.000 0.303 827 I C 0.684 176.862 176.117 0.101 0.000 1.180 827 I CA 0.525 61.888 61.300 0.104 0.000 1.469 827 I CB -0.313 37.795 38.000 0.179 0.000 1.480 827 I HN 0.630 nan 8.210 nan 0.000 0.669 828 A N 5.357 128.213 122.820 0.061 0.000 2.515 828 A HA 0.561 4.885 4.320 0.007 0.000 0.298 828 A C -0.790 176.836 177.584 0.069 0.000 1.059 828 A CA -0.447 51.634 52.037 0.073 0.000 0.698 828 A CB 1.369 20.404 19.000 0.060 0.000 1.289 828 A HN 0.579 nan 8.150 nan 0.000 0.404 829 C N 1.389 120.735 119.300 0.077 0.000 2.536 829 C HA 0.624 5.088 4.460 0.007 0.000 0.396 829 C C 0.544 175.671 174.990 0.228 0.000 1.279 829 C CA 0.492 59.557 59.018 0.078 0.000 2.148 829 C CB -0.290 27.457 27.740 0.011 0.000 2.584 829 C HN 0.908 nan 8.230 nan 0.000 0.579 830 Y N 1.032 121.357 120.300 0.042 0.000 2.457 830 Y HA 0.151 4.705 4.550 0.007 0.000 0.092 830 Y C 2.238 178.218 175.900 0.133 0.000 0.946 830 Y CA 0.929 59.082 58.100 0.088 0.000 1.804 830 Y CB -0.512 38.027 38.460 0.132 0.000 1.119 830 Y HN 0.558 nan 8.280 nan 0.000 0.206 831 S N -0.343 115.513 115.700 0.260 0.000 2.425 831 S HA 0.285 4.759 4.470 0.007 0.000 0.225 831 S C 1.518 176.234 174.600 0.193 0.000 1.024 831 S CA 0.934 59.277 58.200 0.239 0.000 0.951 831 S CB 0.222 63.784 63.200 0.602 0.000 0.796 831 S HN 1.463 nan 8.310 nan 0.000 0.498 832 G N -0.219 108.680 108.800 0.165 0.000 2.163 832 G HA2 -0.242 3.723 3.960 0.007 0.000 0.213 832 G HA3 -0.242 3.723 3.960 0.007 0.000 0.213 832 G C 0.304 175.159 174.900 -0.075 0.000 0.991 832 G CA 0.238 45.344 45.100 0.011 0.000 0.653 832 G HN 0.510 nan 8.290 nan 0.000 0.518 833 Y N 1.330 121.660 120.300 0.050 0.000 2.448 833 Y HA 0.080 4.634 4.550 0.007 0.000 0.289 833 Y C 2.371 178.257 175.900 -0.022 0.000 1.114 833 Y CA 1.257 59.360 58.100 0.005 0.000 1.235 833 Y CB 0.133 38.578 38.460 -0.025 0.000 1.045 833 Y HN 0.490 nan 8.280 nan 0.000 0.554 834 N N 0.337 119.108 118.700 0.118 0.000 2.434 834 N HA -0.067 4.677 4.740 0.007 0.000 0.196 834 N C 0.203 175.724 175.510 0.018 0.000 1.183 834 N CA 0.128 53.206 53.050 0.046 0.000 0.849 834 N CB -0.105 38.408 38.487 0.045 0.000 0.992 834 N HN 0.402 nan 8.380 nan 0.000 0.460 835 Q N 0.773 120.575 119.800 0.003 0.000 2.382 835 Q HA 0.058 4.402 4.340 0.007 0.000 0.229 835 Q C -0.746 175.257 176.000 0.006 0.000 1.006 835 Q CA -0.373 55.422 55.803 -0.013 0.000 0.916 835 Q CB 0.637 29.353 28.738 -0.037 0.000 1.235 835 Q HN 0.228 nan 8.270 nan 0.000 0.512 836 E N 1.885 122.103 120.200 0.030 0.000 2.596 836 E HA -0.246 4.108 4.350 0.007 0.000 0.154 836 E C -1.310 175.303 176.600 0.021 0.000 1.849 836 E CA 1.022 57.441 56.400 0.031 0.000 0.629 836 E CB -1.266 28.443 29.700 0.015 0.000 1.066 836 E HN 0.689 nan 8.360 nan 0.000 0.334 837 D N 0.231 120.647 120.400 0.028 0.000 2.689 837 D HA -0.228 4.416 4.640 0.007 0.000 0.237 837 D C -0.433 175.880 176.300 0.022 0.000 1.148 837 D CA 1.461 55.474 54.000 0.021 0.000 0.656 837 D CB -1.761 39.043 40.800 0.007 0.000 1.050 837 D HN 0.475 nan 8.370 nan 0.000 0.426 838 S N -1.730 113.981 115.700 0.018 0.000 2.732 838 S HA 0.882 5.356 4.470 0.007 0.000 0.293 838 S C -0.078 174.517 174.600 -0.008 0.000 1.159 838 S CA -1.131 57.074 58.200 0.008 0.000 0.847 838 S CB 2.746 65.949 63.200 0.005 0.000 1.169 838 S HN 0.457 nan 8.310 nan 0.000 0.501 839 M N -0.359 119.211 119.600 -0.050 0.000 2.683 839 M HA 0.705 5.190 4.480 0.007 0.000 0.274 839 M C -2.038 174.175 176.300 -0.145 0.000 1.272 839 M CA -0.948 54.295 55.300 -0.094 0.000 0.833 839 M CB 1.289 33.805 32.600 -0.140 0.000 1.708 839 M HN 0.650 nan 8.290 nan 0.000 0.463 840 I N 1.055 121.526 120.570 -0.165 0.000 2.863 840 I HA 0.680 4.854 4.170 0.007 0.000 0.311 840 I C -0.674 175.297 176.117 -0.243 0.000 1.026 840 I CA -0.783 60.386 61.300 -0.219 0.000 1.077 840 I CB 2.175 40.056 38.000 -0.199 0.000 1.262 840 I HN 0.752 nan 8.210 nan 0.000 0.461 841 M N 2.708 122.163 119.600 -0.241 0.000 2.501 841 M HA 0.345 4.829 4.480 0.007 0.000 0.293 841 M C -1.041 175.187 176.300 -0.119 0.000 1.192 841 M CA -0.726 54.453 55.300 -0.202 0.000 0.886 841 M CB 2.227 34.676 32.600 -0.252 0.000 1.710 841 M HN 0.533 nan 8.290 nan 0.000 0.457 842 N N 2.488 121.144 118.700 -0.075 0.000 2.549 842 N HA 0.022 4.766 4.740 0.007 0.000 0.267 842 N C 0.570 176.073 175.510 -0.010 0.000 1.182 842 N CA 0.322 53.359 53.050 -0.022 0.000 1.019 842 N CB 0.689 39.168 38.487 -0.014 0.000 1.380 842 N HN 0.626 nan 8.380 nan 0.000 0.505 843 Q N 1.891 121.690 119.800 -0.002 0.000 2.197 843 Q HA -0.213 4.131 4.340 0.007 0.000 0.211 843 Q C 1.399 177.404 176.000 0.008 0.000 0.993 843 Q CA 1.935 57.739 55.803 0.001 0.000 0.883 843 Q CB -0.402 28.345 28.738 0.015 0.000 0.916 843 Q HN 0.619 nan 8.270 nan 0.000 0.418 844 S N -0.729 114.979 115.700 0.014 0.000 2.356 844 S HA -0.159 4.316 4.470 0.007 0.000 0.223 844 S C 1.816 176.416 174.600 0.000 0.000 1.032 844 S CA 1.356 59.561 58.200 0.008 0.000 1.005 844 S CB -0.411 62.795 63.200 0.010 0.000 0.867 844 S HN 0.753 nan 8.310 nan 0.000 0.449 845 S N 0.919 116.618 115.700 -0.003 0.000 2.453 845 S HA 0.070 4.544 4.470 0.007 0.000 0.231 845 S C 1.708 176.308 174.600 -0.001 0.000 1.005 845 S CA 0.568 58.761 58.200 -0.011 0.000 0.949 845 S CB -0.548 62.641 63.200 -0.018 0.000 0.774 845 S HN 0.463 nan 8.310 nan 0.000 0.510 846 I N 2.440 123.017 120.570 0.011 0.000 2.163 846 I HA -0.149 4.025 4.170 0.007 0.000 0.240 846 I C 2.108 178.238 176.117 0.022 0.000 1.081 846 I CA 1.484 62.801 61.300 0.028 0.000 1.353 846 I CB -0.398 37.615 38.000 0.021 0.000 1.054 846 I HN 0.178 nan 8.210 nan 0.000 0.407 847 D N 0.728 121.136 120.400 0.014 0.000 2.182 847 D HA -0.163 4.481 4.640 0.007 0.000 0.201 847 D C 2.299 178.612 176.300 0.022 0.000 0.986 847 D CA 1.101 55.111 54.000 0.018 0.000 0.847 847 D CB -0.282 40.526 40.800 0.014 0.000 0.942 847 D HN 0.316 nan 8.370 nan 0.000 0.467 848 R N -0.586 119.917 120.500 0.004 0.000 2.075 848 R HA 0.028 4.372 4.340 0.007 0.000 0.232 848 R C 1.703 177.990 176.300 -0.022 0.000 1.126 848 R CA 1.376 57.465 56.100 -0.017 0.000 0.963 848 R CB 0.126 30.400 30.300 -0.043 0.000 0.858 848 R HN 0.323 nan 8.270 nan 0.000 0.435 849 G N -0.559 108.241 108.800 -0.000 0.000 3.655 849 G HA2 -0.124 3.840 3.960 0.007 0.000 0.219 849 G HA3 -0.124 3.840 3.960 0.007 0.000 0.219 849 G C -0.277 174.663 174.900 0.067 0.000 0.933 849 G CA -0.708 44.427 45.100 0.057 0.000 0.856 849 G HN 0.099 nan 8.290 nan 0.000 0.523 850 L N 2.074 123.296 121.223 -0.002 0.000 2.737 850 L HA 0.335 4.679 4.340 0.007 0.000 0.279 850 L C 0.825 177.769 176.870 0.122 0.000 1.200 850 L CA 1.187 56.003 54.840 -0.041 0.000 0.952 850 L CB -0.639 41.418 42.059 -0.004 0.000 1.240 850 L HN 0.450 nan 8.230 nan 0.000 0.486 851 F N 2.216 122.236 119.950 0.117 0.000 3.091 851 F HA -0.305 4.226 4.527 0.006 0.000 0.288 851 F C 1.018 176.851 175.800 0.054 0.000 0.907 851 F CA 0.427 58.501 58.000 0.124 0.000 1.028 851 F CB -1.094 38.055 39.000 0.249 0.000 1.022 851 F HN 0.556 nan 8.300 nan 0.000 0.665 852 R N 0.485 121.059 120.500 0.123 0.000 2.500 852 R HA 0.702 5.046 4.340 0.007 0.000 0.275 852 R C 0.177 176.379 176.300 -0.162 0.000 1.051 852 R CA 0.238 56.246 56.100 -0.153 0.000 1.088 852 R CB 1.569 31.601 30.300 -0.448 0.000 1.063 852 R HN 0.235 nan 8.270 nan 0.000 0.511 853 S N 1.069 116.613 115.700 -0.261 0.000 2.556 853 S HA 0.482 4.956 4.470 0.007 0.000 0.271 853 S C -0.809 173.865 174.600 0.123 0.000 1.135 853 S CA -1.038 57.177 58.200 0.026 0.000 0.858 853 S CB 1.152 64.365 63.200 0.022 0.000 1.114 853 S HN 0.323 nan 8.310 nan 0.000 0.468 854 L N 1.506 122.897 121.223 0.280 0.000 2.416 854 L HA 0.754 5.098 4.340 0.007 0.000 0.262 854 L C -0.994 176.069 176.870 0.323 0.000 1.093 854 L CA -0.750 54.270 54.840 0.300 0.000 0.801 854 L CB 1.131 43.407 42.059 0.363 0.000 1.191 854 L HN 0.786 nan 8.230 nan 0.000 0.459 855 F N 2.023 122.012 119.950 0.064 0.000 2.915 855 F HA 0.455 4.985 4.527 0.006 0.000 0.350 855 F C -1.751 174.055 175.800 0.009 0.000 1.248 855 F CA -0.864 57.176 58.000 0.068 0.000 1.084 855 F CB 0.766 39.765 39.000 -0.002 0.000 1.391 855 F HN 0.026 nan 8.300 nan 0.000 0.548 856 F N 5.493 125.166 119.950 -0.463 0.000 2.411 856 F HA 0.626 5.159 4.527 0.009 0.000 0.352 856 F C 0.158 175.611 175.800 -0.579 0.000 1.123 856 F CA -0.681 57.057 58.000 -0.436 0.000 1.044 856 F CB 1.659 40.553 39.000 -0.177 0.000 1.135 856 F HN 0.444 nan 8.300 nan 0.000 0.461 857 R N 1.198 121.435 120.500 -0.437 0.000 2.589 857 R HA 0.720 5.064 4.340 0.007 0.000 0.293 857 R C -1.005 175.176 176.300 -0.198 0.000 0.963 857 R CA -0.360 55.529 56.100 -0.350 0.000 0.905 857 R CB 1.346 31.415 30.300 -0.385 0.000 1.144 857 R HN 0.680 nan 8.270 nan 0.000 0.459 858 S N 2.494 118.023 115.700 -0.285 0.000 2.501 858 S HA 0.520 4.995 4.470 0.007 0.000 0.301 858 S C -1.415 172.931 174.600 -0.424 0.000 1.096 858 S CA -0.530 57.560 58.200 -0.183 0.000 1.063 858 S CB 0.865 64.011 63.200 -0.090 0.000 1.042 858 S HN 0.414 nan 8.310 nan 0.000 0.494 859 Y N 1.102 121.364 120.300 -0.064 0.000 2.598 859 Y HA 0.731 5.286 4.550 0.009 0.000 0.340 859 Y C 0.065 175.901 175.900 -0.107 0.000 1.038 859 Y CA -1.102 56.956 58.100 -0.070 0.000 1.100 859 Y CB 1.537 39.956 38.460 -0.069 0.000 1.281 859 Y HN 0.473 nan 8.280 nan 0.000 0.488 860 M N 1.690 121.316 119.600 0.043 0.000 2.365 860 M HA 0.361 4.845 4.480 0.007 0.000 0.288 860 M C -2.436 173.833 176.300 -0.051 0.000 1.152 860 M CA -0.245 54.995 55.300 -0.101 0.000 0.948 860 M CB 2.309 34.842 32.600 -0.112 0.000 1.729 860 M HN 0.806 nan 8.290 nan 0.000 0.487 861 D N 1.505 121.839 120.400 -0.109 0.000 2.626 861 D HA 0.589 5.233 4.640 0.007 0.000 0.278 861 D C -1.528 174.856 176.300 0.141 0.000 1.211 861 D CA -0.074 53.968 54.000 0.070 0.000 0.903 861 D CB 2.635 43.567 40.800 0.220 0.000 1.408 861 D HN 0.696 nan 8.370 nan 0.000 0.454 862 Q N -0.252 119.710 119.800 0.269 0.000 2.943 862 Q HA 0.394 4.738 4.340 0.007 0.000 0.341 862 Q C -1.169 174.924 176.000 0.155 0.000 0.858 862 Q CA -0.738 55.246 55.803 0.302 0.000 0.804 862 Q CB 2.322 31.214 28.738 0.257 0.000 1.399 862 Q HN 0.237 nan 8.270 nan 0.000 0.511 863 E N 1.570 121.823 120.200 0.087 0.000 2.210 863 E HA 0.393 4.747 4.350 0.007 0.000 0.266 863 E C -1.368 175.228 176.600 -0.007 0.000 0.883 863 E CA -0.588 55.778 56.400 -0.057 0.000 0.761 863 E CB 2.344 32.002 29.700 -0.070 0.000 1.156 863 E HN 0.618 nan 8.360 nan 0.000 0.412 864 K N 2.189 122.570 120.400 -0.032 0.000 1.814 864 K HA -0.285 4.039 4.320 0.007 0.000 0.820 864 K C -0.963 175.648 176.600 0.019 0.000 2.437 864 K CA 1.413 57.687 56.287 -0.022 0.000 1.524 864 K CB -0.408 32.069 32.500 -0.039 0.000 2.773 864 K HN 0.745 nan 8.250 nan 0.000 0.164 865 K N -1.175 119.240 120.400 0.024 0.000 1.636 865 K HA 0.187 4.511 4.320 0.007 0.000 0.293 865 K C -0.568 176.066 176.600 0.057 0.000 0.829 865 K CA -0.436 55.890 56.287 0.065 0.000 0.384 865 K CB -0.176 32.386 32.500 0.103 0.000 3.022 865 K HN 0.807 nan 8.250 nan 0.000 1.074 866 Y N 2.433 122.739 120.300 0.010 0.000 2.457 866 Y HA 0.435 4.989 4.550 0.007 0.000 0.341 866 Y C 0.569 176.474 175.900 0.009 0.000 1.240 866 Y CA 0.027 58.135 58.100 0.012 0.000 1.437 866 Y CB 0.414 38.882 38.460 0.013 0.000 1.328 866 Y HN 0.594 nan 8.280 nan 0.000 0.588 867 G N 4.318 112.895 108.800 -0.371 0.000 2.464 867 G HA2 0.200 4.165 3.960 0.007 0.000 0.231 867 G HA3 0.200 4.165 3.960 0.007 0.000 0.231 867 G C -0.170 174.440 174.900 -0.482 0.000 1.267 867 G CA 0.047 44.967 45.100 -0.301 0.000 0.863 867 G HN 0.974 nan 8.290 nan 0.000 0.559 868 M N 0.323 119.771 119.600 -0.253 0.000 1.788 868 M HA 0.253 4.737 4.480 0.007 0.000 0.181 868 M C 0.769 177.019 176.300 -0.083 0.000 1.472 868 M CA 0.546 55.769 55.300 -0.128 0.000 0.866 868 M CB 0.187 32.731 32.600 -0.094 0.000 1.577 868 M HN 0.888 nan 8.290 nan 0.000 0.593 869 S N 0.761 116.413 115.700 -0.080 0.000 3.400 869 S HA -0.145 4.329 4.470 0.007 0.000 0.854 869 S C -0.235 174.279 174.600 -0.143 0.000 1.167 869 S CA 0.513 58.647 58.200 -0.111 0.000 0.985 869 S CB -0.594 62.522 63.200 -0.140 0.000 0.666 869 S HN 0.563 nan 8.310 nan 0.000 0.276 870 I N 1.719 122.212 120.570 -0.128 0.000 8.342 870 I HA -0.203 3.971 4.170 0.007 0.000 0.126 870 I C -0.048 176.015 176.117 -0.089 0.000 1.849 870 I CA 1.186 62.412 61.300 -0.124 0.000 2.049 870 I CB -1.449 36.425 38.000 -0.209 0.000 3.803 870 I HN 0.823 nan 8.210 nan 0.000 0.173 871 T N 5.413 119.927 114.554 -0.068 0.000 2.993 871 T HA 0.398 4.752 4.350 0.007 0.000 0.312 871 T C -0.377 174.279 174.700 -0.074 0.000 1.115 871 T CA -1.038 61.024 62.100 -0.063 0.000 1.027 871 T CB 2.262 71.098 68.868 -0.054 0.000 1.116 871 T HN 0.465 nan 8.240 nan 0.000 0.464 872 E N 1.235 121.377 120.200 -0.097 0.000 2.391 872 E HA 0.602 4.956 4.350 0.007 0.000 0.255 872 E C -0.389 176.094 176.600 -0.196 0.000 1.187 872 E CA -0.574 55.736 56.400 -0.150 0.000 0.941 872 E CB 0.657 30.239 29.700 -0.196 0.000 1.010 872 E HN 0.550 nan 8.360 nan 0.000 0.458 873 T N 0.824 115.232 114.554 -0.244 0.000 3.097 873 T HA 0.251 4.605 4.350 0.007 0.000 0.332 873 T C -1.006 173.551 174.700 -0.237 0.000 1.269 873 T CA -0.787 61.170 62.100 -0.237 0.000 1.076 873 T CB 0.349 69.169 68.868 -0.080 0.000 1.209 873 T HN 0.234 nan 8.240 nan 0.000 0.474 874 F N 3.330 123.294 119.950 0.023 0.000 2.471 874 F HA 0.449 4.980 4.527 0.006 0.000 0.365 874 F C 1.262 177.075 175.800 0.022 0.000 1.095 874 F CA -0.105 57.909 58.000 0.024 0.000 1.174 874 F CB 0.443 39.455 39.000 0.020 0.000 1.105 874 F HN 0.627 nan 8.300 nan 0.000 0.535 875 E N 0.918 121.231 120.200 0.188 0.000 2.449 875 E HA 0.346 4.700 4.350 0.007 0.000 0.278 875 E C -1.636 175.029 176.600 0.107 0.000 1.059 875 E CA -1.541 54.929 56.400 0.117 0.000 0.854 875 E CB 1.132 30.870 29.700 0.064 0.000 1.465 875 E HN 0.274 nan 8.360 nan 0.000 0.462 876 K N 1.968 122.413 120.400 0.074 0.000 2.310 876 K HA 0.259 4.584 4.320 0.007 0.000 0.290 876 K C -2.222 174.382 176.600 0.007 0.000 1.077 876 K CA -1.517 54.809 56.287 0.064 0.000 0.922 876 K CB 0.463 32.993 32.500 0.049 0.000 1.057 876 K HN 0.240 nan 8.250 nan 0.000 0.479 877 P HA 0.087 nan 4.420 nan 0.000 0.275 877 P C -1.163 176.017 177.300 -0.200 0.000 1.227 877 P CA 0.071 63.082 63.100 -0.150 0.000 0.781 877 P CB 1.237 32.784 31.700 -0.255 0.000 0.906 878 Q N -0.120 119.586 119.800 -0.157 0.000 2.371 878 Q HA -0.130 4.214 4.340 0.007 0.000 0.280 878 Q C -0.749 175.158 176.000 -0.155 0.000 1.229 878 Q CA 0.313 56.043 55.803 -0.121 0.000 0.751 878 Q CB -1.836 26.848 28.738 -0.089 0.000 1.143 878 Q HN 0.523 nan 8.270 nan 0.000 0.423 879 R N -0.214 120.183 120.500 -0.172 0.000 2.738 879 R HA 0.356 4.700 4.340 0.007 0.000 0.268 879 R C 0.489 176.732 176.300 -0.095 0.000 1.062 879 R CA 1.237 57.246 56.100 -0.152 0.000 1.158 879 R CB 0.463 30.681 30.300 -0.136 0.000 1.046 879 R HN 0.471 nan 8.270 nan 0.000 0.493 880 T N 1.296 115.803 114.554 -0.079 0.000 5.383 880 T HA -0.213 4.141 4.350 0.007 0.000 0.279 880 T C -1.176 173.491 174.700 -0.055 0.000 1.930 880 T CA 1.633 63.698 62.100 -0.057 0.000 3.248 880 T CB -1.369 67.472 68.868 -0.045 0.000 1.367 880 T HN 0.882 nan 8.240 nan 0.000 1.030 881 N N -0.010 118.649 118.700 -0.069 0.000 2.653 881 N HA 0.495 5.239 4.740 0.007 0.000 0.261 881 N C 0.234 175.705 175.510 -0.065 0.000 1.216 881 N CA 0.191 53.204 53.050 -0.061 0.000 0.784 881 N CB 1.459 39.910 38.487 -0.061 0.000 1.327 881 N HN 0.197 nan 8.380 nan 0.000 0.539 882 T N -0.895 113.630 114.554 -0.049 0.000 13.888 882 T HA -0.193 4.162 4.350 0.007 0.000 0.416 882 T C 0.650 175.324 174.700 -0.042 0.000 1.463 882 T CA 0.766 62.842 62.100 -0.041 0.000 2.377 882 T CB -0.835 68.009 68.868 -0.038 0.000 2.738 882 T HN 0.308 nan 8.240 nan 0.000 0.343 883 L N -0.180 121.008 121.223 -0.059 0.000 2.664 883 L HA 0.517 4.861 4.340 0.007 0.000 0.233 883 L C 0.704 177.537 176.870 -0.061 0.000 1.113 883 L CA 0.618 55.411 54.840 -0.079 0.000 0.896 883 L CB -0.963 41.023 42.059 -0.122 0.000 1.163 883 L HN 0.467 nan 8.230 nan 0.000 0.497 884 R N 1.040 121.511 120.500 -0.048 0.000 3.266 884 R HA -0.150 4.194 4.340 0.007 0.000 0.245 884 R C 0.034 176.334 176.300 -0.001 0.000 0.941 884 R CA 0.727 56.812 56.100 -0.025 0.000 0.638 884 R CB -1.905 28.394 30.300 -0.000 0.000 1.019 884 R HN 0.545 nan 8.270 nan 0.000 0.462 885 M N 0.053 119.636 119.600 -0.029 0.000 2.291 885 M HA 0.133 4.617 4.480 0.007 0.000 0.324 885 M C 1.242 177.593 176.300 0.086 0.000 1.148 885 M CA -0.319 55.028 55.300 0.078 0.000 1.104 885 M CB 0.710 33.319 32.600 0.014 0.000 1.483 885 M HN -0.261 nan 8.290 nan 0.000 0.467 886 K N 0.841 121.374 120.400 0.220 0.000 2.836 886 K HA 0.005 4.329 4.320 0.007 0.000 0.236 886 K C 0.354 177.067 176.600 0.187 0.000 1.015 886 K CA 0.500 56.871 56.287 0.141 0.000 1.194 886 K CB -1.013 31.512 32.500 0.040 0.000 1.002 886 K HN 0.573 nan 8.250 nan 0.000 0.479 887 H N -3.101 116.031 119.070 0.103 0.000 5.117 887 H HA -0.247 4.311 4.556 0.004 0.000 0.093 887 H C 0.928 176.300 175.328 0.072 0.000 0.582 887 H CA 1.838 57.929 56.048 0.072 0.000 1.162 887 H CB -1.123 28.666 29.762 0.045 0.000 0.636 887 H HN 0.510 nan 8.280 nan 0.000 0.609 888 G N 0.039 108.943 108.800 0.174 0.000 2.525 888 G HA2 0.433 4.397 3.960 0.007 0.000 0.287 888 G HA3 0.433 4.397 3.960 0.007 0.000 0.287 888 G C 0.057 175.029 174.900 0.121 0.000 1.350 888 G CA 0.270 45.431 45.100 0.102 0.000 1.039 888 G HN 0.381 nan 8.290 nan 0.000 0.513 889 T N -2.747 111.851 114.554 0.072 0.000 2.837 889 T HA 0.359 4.713 4.350 0.007 0.000 0.285 889 T C -0.179 174.575 174.700 0.090 0.000 0.984 889 T CA -0.484 61.688 62.100 0.120 0.000 1.049 889 T CB 1.338 70.249 68.868 0.071 0.000 0.947 889 T HN 0.326 nan 8.240 nan 0.000 0.472 890 Y N 0.375 120.672 120.300 -0.006 0.000 2.493 890 Y HA 0.196 4.748 4.550 0.002 0.000 0.275 890 Y C 1.704 177.599 175.900 -0.010 0.000 1.183 890 Y CA -0.872 57.223 58.100 -0.009 0.000 1.258 890 Y CB -0.244 38.212 38.460 -0.006 0.000 1.108 890 Y HN 0.692 nan 8.280 nan 0.000 0.521 891 D N 0.648 121.120 120.400 0.120 0.000 2.149 891 D HA -0.166 4.478 4.640 0.007 0.000 0.198 891 D C 1.044 177.367 176.300 0.039 0.000 0.990 891 D CA 1.299 55.340 54.000 0.068 0.000 0.839 891 D CB 0.032 40.859 40.800 0.045 0.000 0.948 891 D HN 0.356 nan 8.370 nan 0.000 0.460 892 K N 0.386 120.796 120.400 0.016 0.000 2.630 892 K HA 0.139 4.463 4.320 0.007 0.000 0.204 892 K C 0.162 176.758 176.600 -0.007 0.000 1.024 892 K CA 0.065 56.348 56.287 -0.006 0.000 1.157 892 K CB 0.069 32.551 32.500 -0.029 0.000 0.899 892 K HN 0.135 nan 8.250 nan 0.000 0.501 893 L N 0.155 121.389 121.223 0.019 0.000 2.334 893 L HA 0.296 4.640 4.340 0.007 0.000 0.276 893 L C 0.510 177.397 176.870 0.028 0.000 1.014 893 L CA -0.947 53.907 54.840 0.025 0.000 0.815 893 L CB 1.361 43.457 42.059 0.063 0.000 1.268 893 L HN -0.004 nan 8.230 nan 0.000 0.428 894 D N 0.597 121.008 120.400 0.018 0.000 2.197 894 D HA 0.024 4.669 4.640 0.007 0.000 0.290 894 D C 0.151 176.467 176.300 0.026 0.000 1.145 894 D CA 0.044 54.054 54.000 0.017 0.000 1.061 894 D CB 0.602 41.406 40.800 0.008 0.000 1.151 894 D HN 0.554 nan 8.370 nan 0.000 0.504 895 D N -0.515 119.899 120.400 0.023 0.000 2.367 895 D HA -0.038 4.607 4.640 0.007 0.000 0.207 895 D C 0.793 177.116 176.300 0.038 0.000 1.034 895 D CA 0.402 54.418 54.000 0.028 0.000 0.861 895 D CB 0.172 40.984 40.800 0.021 0.000 0.943 895 D HN 0.325 nan 8.370 nan 0.000 0.515 896 D N -1.071 119.352 120.400 0.038 0.000 2.379 896 D HA 0.172 4.816 4.640 0.007 0.000 0.208 896 D C 1.575 177.921 176.300 0.077 0.000 1.065 896 D CA 0.653 54.685 54.000 0.052 0.000 0.848 896 D CB 0.525 41.343 40.800 0.030 0.000 0.949 896 D HN 0.149 nan 8.370 nan 0.000 0.509 897 G N 0.034 108.875 108.800 0.068 0.000 2.397 897 G HA2 -0.229 3.735 3.960 0.007 0.000 0.211 897 G HA3 -0.229 3.735 3.960 0.007 0.000 0.211 897 G C 0.178 175.097 174.900 0.032 0.000 1.077 897 G CA -0.018 45.138 45.100 0.092 0.000 0.649 897 G HN 0.350 nan 8.290 nan 0.000 0.511 898 L N 1.786 122.993 121.223 -0.027 0.000 2.470 898 L HA 0.641 4.985 4.340 0.007 0.000 0.243 898 L C 1.122 177.961 176.870 -0.052 0.000 1.227 898 L CA -0.783 54.013 54.840 -0.073 0.000 0.824 898 L CB 0.143 42.133 42.059 -0.114 0.000 1.175 898 L HN 0.229 nan 8.230 nan 0.000 0.503 899 I N 0.044 120.572 120.570 -0.070 0.000 2.488 899 I HA 0.523 4.697 4.170 0.007 0.000 0.299 899 I C 0.172 176.260 176.117 -0.049 0.000 0.984 899 I CA -0.709 60.556 61.300 -0.058 0.000 1.250 899 I CB 1.498 39.454 38.000 -0.074 0.000 1.389 899 I HN 0.608 nan 8.210 nan 0.000 0.488 900 A N 5.793 128.592 122.820 -0.035 0.000 2.309 900 A HA 0.626 4.950 4.320 0.007 0.000 0.298 900 A C -2.447 175.119 177.584 -0.029 0.000 1.165 900 A CA -1.547 50.473 52.037 -0.028 0.000 0.821 900 A CB -0.177 18.811 19.000 -0.019 0.000 1.102 900 A HN 0.444 nan 8.150 nan 0.000 0.500 901 P HA 0.318 nan 4.420 nan 0.000 0.264 901 P C 1.036 178.323 177.300 -0.021 0.000 1.193 901 P CA 1.637 64.723 63.100 -0.023 0.000 0.763 901 P CB 0.849 32.541 31.700 -0.013 0.000 0.810 902 G N 1.333 110.117 108.800 -0.027 0.000 2.436 902 G HA2 -0.196 3.768 3.960 0.007 0.000 0.204 902 G HA3 -0.196 3.768 3.960 0.007 0.000 0.204 902 G C -0.019 174.866 174.900 -0.026 0.000 1.026 902 G CA -0.246 44.840 45.100 -0.023 0.000 0.658 902 G HN 0.511 nan 8.290 nan 0.000 0.499 903 V N 3.274 123.171 119.914 -0.028 0.000 2.599 903 V HA 0.279 4.403 4.120 0.007 0.000 0.300 903 V C 1.189 177.262 176.094 -0.035 0.000 1.034 903 V CA 0.189 62.472 62.300 -0.028 0.000 1.115 903 V CB 0.714 32.519 31.823 -0.031 0.000 0.934 903 V HN 0.433 nan 8.190 nan 0.000 0.485 904 R N 3.108 123.591 120.500 -0.028 0.000 2.441 904 R HA 0.618 4.962 4.340 0.007 0.000 0.284 904 R C -0.571 175.708 176.300 -0.035 0.000 1.070 904 R CA -0.382 55.700 56.100 -0.029 0.000 1.047 904 R CB 1.383 31.672 30.300 -0.018 0.000 1.016 904 R HN 0.704 nan 8.270 nan 0.000 0.477 905 V N -1.378 118.512 119.914 -0.040 0.000 3.007 905 V HA 0.823 4.947 4.120 0.007 0.000 0.311 905 V C -0.601 175.472 176.094 -0.035 0.000 1.120 905 V CA -0.889 61.381 62.300 -0.049 0.000 0.980 905 V CB 2.079 33.855 31.823 -0.078 0.000 1.033 905 V HN 0.950 nan 8.190 nan 0.000 0.429 906 S N 0.561 116.240 115.700 -0.035 0.000 2.543 906 S HA 0.862 5.336 4.470 0.007 0.000 0.274 906 S C 0.285 174.873 174.600 -0.019 0.000 1.149 906 S CA 0.296 58.486 58.200 -0.017 0.000 0.866 906 S CB 1.003 64.199 63.200 -0.006 0.000 1.111 906 S HN 2.830 nan 8.310 nan 0.000 0.457 907 G N 2.370 111.166 108.800 -0.006 0.000 2.614 907 G HA2 -0.308 3.656 3.960 0.007 0.000 0.303 907 G HA3 -0.308 3.656 3.960 0.007 0.000 0.303 907 G C 0.210 175.098 174.900 -0.020 0.000 1.270 907 G CA 0.576 45.674 45.100 -0.003 0.000 0.988 907 G HN 1.066 nan 8.290 nan 0.000 0.551 908 E N 1.694 121.884 120.200 -0.017 0.000 2.405 908 E HA 0.157 4.512 4.350 0.007 0.000 0.194 908 E C -0.226 176.328 176.600 -0.077 0.000 1.149 908 E CA 0.173 56.556 56.400 -0.030 0.000 0.933 908 E CB -0.168 29.534 29.700 0.005 0.000 1.028 908 E HN 0.385 nan 8.360 nan 0.000 0.487 909 D N 1.006 121.352 120.400 -0.089 0.000 2.493 909 D HA -0.019 4.625 4.640 0.007 0.000 0.240 909 D C -0.053 176.123 176.300 -0.207 0.000 1.142 909 D CA 0.149 54.072 54.000 -0.129 0.000 0.872 909 D CB 0.938 41.675 40.800 -0.105 0.000 1.173 909 D HN -0.166 nan 8.370 nan 0.000 0.467 910 V N 3.403 123.142 119.914 -0.292 0.000 2.775 910 V HA 0.147 4.271 4.120 0.007 0.000 0.299 910 V C 1.477 177.409 176.094 -0.270 0.000 1.062 910 V CA -0.030 62.037 62.300 -0.388 0.000 1.063 910 V CB 1.204 32.586 31.823 -0.734 0.000 0.994 910 V HN 0.471 nan 8.190 nan 0.000 0.483 911 I N 2.327 122.744 120.570 -0.256 0.000 3.812 911 I HA 0.340 4.514 4.170 0.007 0.000 0.292 911 I C 0.091 176.115 176.117 -0.155 0.000 1.206 911 I CA 0.623 61.787 61.300 -0.228 0.000 1.370 911 I CB 0.570 38.365 38.000 -0.342 0.000 1.328 911 I HN 0.384 nan 8.210 nan 0.000 0.453 912 I N 0.979 121.480 120.570 -0.116 0.000 2.500 912 I HA 0.441 4.615 4.170 0.007 0.000 0.286 912 I C -0.379 175.785 176.117 0.078 0.000 1.063 912 I CA -0.484 60.800 61.300 -0.027 0.000 1.062 912 I CB 1.903 39.880 38.000 -0.038 0.000 1.223 912 I HN -0.033 nan 8.210 nan 0.000 0.435 913 G N 5.655 114.551 108.800 0.160 0.000 2.379 913 G HA2 0.759 4.723 3.960 0.007 0.000 0.327 913 G HA3 0.759 4.723 3.960 0.007 0.000 0.327 913 G C -1.075 173.982 174.900 0.262 0.000 1.145 913 G CA -0.473 44.773 45.100 0.243 0.000 0.905 913 G HN 0.637 nan 8.290 nan 0.000 0.466 914 K N 0.010 120.519 120.400 0.182 0.000 2.527 914 K HA 0.727 5.051 4.320 0.007 0.000 0.260 914 K C -0.936 175.671 176.600 0.011 0.000 0.937 914 K CA -0.862 55.460 56.287 0.057 0.000 0.826 914 K CB 1.972 34.419 32.500 -0.089 0.000 1.359 914 K HN 0.489 nan 8.250 nan 0.000 0.434 915 T N -1.188 113.346 114.554 -0.033 0.000 2.855 915 T HA 0.404 4.758 4.350 0.007 0.000 0.281 915 T C -0.359 174.308 174.700 -0.055 0.000 1.007 915 T CA -0.790 61.290 62.100 -0.034 0.000 1.009 915 T CB 1.583 70.433 68.868 -0.030 0.000 0.983 915 T HN 0.639 nan 8.240 nan 0.000 0.455 916 T N 2.387 116.918 114.554 -0.039 0.000 2.934 916 T HA 0.489 4.843 4.350 0.007 0.000 0.328 916 T C -2.955 171.730 174.700 -0.025 0.000 1.068 916 T CA -1.836 60.242 62.100 -0.038 0.000 1.018 916 T CB 0.700 69.550 68.868 -0.031 0.000 1.009 916 T HN 0.489 nan 8.240 nan 0.000 0.471 917 P HA 0.448 nan 4.420 nan 0.000 0.281 917 P C -0.926 176.365 177.300 -0.014 0.000 1.252 917 P CA -0.610 62.477 63.100 -0.022 0.000 0.778 917 P CB 0.707 32.392 31.700 -0.026 0.000 0.895 918 I N 2.325 122.890 120.570 -0.007 0.000 2.569 918 I HA 0.269 4.444 4.170 0.007 0.000 0.290 918 I C 0.493 176.611 176.117 0.002 0.000 1.088 918 I CA -0.413 60.888 61.300 0.001 0.000 1.047 918 I CB 2.105 40.111 38.000 0.010 0.000 1.237 918 I HN 0.465 nan 8.210 nan 0.000 0.421 936 D N 1.268 121.673 120.400 0.007 0.000 2.225 936 D HA 0.544 5.189 4.640 0.007 0.000 0.248 936 D C -0.554 175.774 176.300 0.047 0.000 1.096 936 D CA 0.208 54.228 54.000 0.033 0.000 0.863 936 D CB 1.816 42.644 40.800 0.046 0.000 1.156 936 D HN 0.580 nan 8.370 nan 0.000 0.450 937 A N 2.612 125.467 122.820 0.059 0.000 2.573 937 A HA 0.287 4.611 4.320 0.007 0.000 0.269 937 A C 0.129 177.761 177.584 0.081 0.000 0.901 937 A CA -0.404 51.669 52.037 0.060 0.000 1.066 937 A CB -0.452 18.571 19.000 0.039 0.000 1.221 937 A HN 0.466 nan 8.150 nan 0.000 0.483 938 S N 0.247 116.012 115.700 0.109 0.000 2.562 938 S HA 0.437 4.911 4.470 0.007 0.000 0.281 938 S C 0.129 174.754 174.600 0.041 0.000 1.333 938 S CA 0.100 58.362 58.200 0.103 0.000 1.052 938 S CB 0.559 63.859 63.200 0.167 0.000 0.884 938 S HN 0.323 nan 8.310 nan 0.000 0.506 939 T N 4.982 119.542 114.554 0.010 0.000 2.753 939 T HA 0.503 4.857 4.350 0.007 0.000 0.297 939 T C -2.261 172.376 174.700 -0.106 0.000 0.981 939 T CA -1.102 60.990 62.100 -0.012 0.000 0.956 939 T CB 1.015 69.903 68.868 0.033 0.000 0.936 939 T HN 0.569 nan 8.240 nan 0.000 0.463 940 P HA 0.399 nan 4.420 nan 0.000 0.293 940 P C -0.023 177.174 177.300 -0.172 0.000 1.304 940 P CA -0.825 62.177 63.100 -0.163 0.000 0.767 940 P CB 1.111 32.742 31.700 -0.114 0.000 1.247 941 L N 0.039 121.153 121.223 -0.181 0.000 2.479 941 L HA 0.234 4.578 4.340 0.007 0.000 0.249 941 L C 1.166 178.047 176.870 0.017 0.000 1.178 941 L CA -0.718 54.036 54.840 -0.143 0.000 0.811 941 L CB 0.346 42.324 42.059 -0.135 0.000 1.187 941 L HN 0.205 nan 8.230 nan 0.000 0.480 942 R N 0.851 121.418 120.500 0.111 0.000 2.351 942 R HA 0.034 4.378 4.340 0.007 0.000 0.318 942 R C 1.288 177.626 176.300 0.064 0.000 1.055 942 R CA 0.341 56.505 56.100 0.106 0.000 0.968 942 R CB 0.393 30.778 30.300 0.140 0.000 0.974 942 R HN 0.804 nan 8.270 nan 0.000 0.439 943 S N 1.628 117.355 115.700 0.045 0.000 2.432 943 S HA -0.241 4.233 4.470 0.007 0.000 0.243 943 S C 1.359 175.983 174.600 0.039 0.000 1.069 943 S CA 2.253 60.474 58.200 0.035 0.000 1.047 943 S CB -0.381 62.840 63.200 0.035 0.000 0.854 943 S HN 0.763 nan 8.310 nan 0.000 0.474 944 T N -1.827 112.757 114.554 0.049 0.000 3.132 944 T HA 0.406 4.760 4.350 0.007 0.000 0.274 944 T C 0.061 174.797 174.700 0.061 0.000 1.011 944 T CA -0.522 61.608 62.100 0.049 0.000 0.899 944 T CB 0.282 69.179 68.868 0.048 0.000 1.089 944 T HN 0.376 nan 8.240 nan 0.000 0.543 945 E N 2.530 122.778 120.200 0.080 0.000 2.254 945 E HA 0.570 4.925 4.350 0.007 0.000 0.261 945 E C -0.520 176.125 176.600 0.074 0.000 1.051 945 E CA -0.896 55.571 56.400 0.111 0.000 0.902 945 E CB 0.728 30.531 29.700 0.171 0.000 1.168 945 E HN 0.501 nan 8.360 nan 0.000 0.423 946 N N -0.233 118.514 118.700 0.079 0.000 3.997 946 N HA 0.306 5.050 4.740 0.007 0.000 0.209 946 N C -0.782 174.748 175.510 0.034 0.000 1.108 946 N CA -0.170 52.902 53.050 0.037 0.000 1.020 946 N CB 0.953 39.454 38.487 0.024 0.000 1.628 946 N HN 0.650 nan 8.380 nan 0.000 0.588 947 G N 0.246 109.046 108.800 -0.000 0.000 2.539 947 G HA2 0.462 4.427 3.960 0.007 0.000 0.138 947 G HA3 0.462 4.427 3.960 0.007 0.000 0.138 947 G C -1.930 172.945 174.900 -0.042 0.000 1.148 947 G CA -0.384 44.706 45.100 -0.016 0.000 1.057 947 G HN 0.559 nan 8.290 nan 0.000 0.511 948 I N 0.731 121.261 120.570 -0.067 0.000 2.545 948 I HA 0.537 4.712 4.170 0.007 0.000 0.292 948 I C 0.187 176.250 176.117 -0.091 0.000 1.040 948 I CA -0.957 60.301 61.300 -0.069 0.000 1.068 948 I CB 2.095 40.056 38.000 -0.064 0.000 1.251 948 I HN 0.310 nan 8.210 nan 0.000 0.424 949 V N 4.033 123.903 119.914 -0.072 0.000 2.686 949 V HA 0.140 4.264 4.120 0.007 0.000 0.295 949 V C 0.598 176.658 176.094 -0.056 0.000 1.055 949 V CA -0.032 62.228 62.300 -0.067 0.000 1.050 949 V CB 1.200 32.989 31.823 -0.058 0.000 0.984 949 V HN 0.889 nan 8.190 nan 0.000 0.482 950 D N 1.524 121.900 120.400 -0.040 0.000 2.725 950 D HA 0.134 4.778 4.640 0.007 0.000 0.269 950 D C 0.404 176.720 176.300 0.027 0.000 1.018 950 D CA 0.643 54.641 54.000 -0.004 0.000 0.956 950 D CB 1.052 41.870 40.800 0.029 0.000 1.141 950 D HN 0.709 nan 8.370 nan 0.000 0.478 951 Q N -0.270 119.549 119.800 0.032 0.000 2.435 951 Q HA 0.484 4.828 4.340 0.007 0.000 0.282 951 Q C -1.656 174.349 176.000 0.009 0.000 1.020 951 Q CA -0.699 55.121 55.803 0.028 0.000 0.820 951 Q CB 3.596 32.366 28.738 0.053 0.000 1.436 951 Q HN -0.162 nan 8.270 nan 0.000 0.395 952 V N 2.473 122.383 119.914 -0.007 0.000 2.380 952 V HA 0.365 4.489 4.120 0.007 0.000 0.286 952 V C -0.982 175.097 176.094 -0.026 0.000 1.015 952 V CA -0.522 61.759 62.300 -0.030 0.000 0.834 952 V CB 1.520 33.310 31.823 -0.056 0.000 1.009 952 V HN 0.615 nan 8.190 nan 0.000 0.428 953 L N 6.526 127.737 121.223 -0.019 0.000 2.257 953 L HA 0.627 4.971 4.340 0.007 0.000 0.290 953 L C -0.619 176.250 176.870 -0.002 0.000 1.044 953 L CA -0.075 54.770 54.840 0.009 0.000 0.810 953 L CB 1.197 43.282 42.059 0.044 0.000 1.193 953 L HN 0.472 nan 8.230 nan 0.000 0.425 954 V N 4.583 124.505 119.914 0.013 0.000 2.350 954 V HA 0.590 4.714 4.120 0.007 0.000 0.285 954 V C 0.066 176.209 176.094 0.082 0.000 1.014 954 V CA -0.318 61.991 62.300 0.014 0.000 0.831 954 V CB 1.166 32.972 31.823 -0.028 0.000 1.000 954 V HN 0.902 nan 8.190 nan 0.000 0.433 955 T N 2.006 116.665 114.554 0.175 0.000 2.604 955 T HA 0.606 4.960 4.350 0.007 0.000 0.267 955 T C -0.225 174.587 174.700 0.187 0.000 0.923 955 T CA -0.508 61.694 62.100 0.169 0.000 1.077 955 T CB 2.078 71.046 68.868 0.167 0.000 1.392 955 T HN 0.650 nan 8.240 nan 0.000 0.531 956 T N 0.386 115.000 114.554 0.099 0.000 2.916 956 T HA 0.600 4.954 4.350 0.007 0.000 0.292 956 T C -1.104 173.573 174.700 -0.040 0.000 1.064 956 T CA -0.690 61.455 62.100 0.075 0.000 1.011 956 T CB 1.631 70.528 68.868 0.047 0.000 1.152 956 T HN 0.502 nan 8.240 nan 0.000 0.510 957 N N 0.947 119.629 118.700 -0.030 0.000 2.459 957 N HA 0.363 5.107 4.740 0.007 0.000 0.288 957 N C 1.164 176.644 175.510 -0.049 0.000 1.186 957 N CA -0.483 52.503 53.050 -0.106 0.000 0.917 957 N CB 1.526 39.979 38.487 -0.057 0.000 1.219 957 N HN 0.747 nan 8.380 nan 0.000 0.525 958 Q N 0.057 119.825 119.800 -0.054 0.000 2.065 958 Q HA -0.241 4.103 4.340 0.007 0.000 0.213 958 Q C 0.236 176.240 176.000 0.006 0.000 1.012 958 Q CA 2.203 57.997 55.803 -0.015 0.000 0.876 958 Q CB -0.119 28.619 28.738 -0.000 0.000 0.954 958 Q HN 0.639 nan 8.270 nan 0.000 0.413 959 D N -1.499 118.911 120.400 0.017 0.000 2.221 959 D HA -0.066 4.578 4.640 0.007 0.000 0.204 959 D C 0.659 176.977 176.300 0.030 0.000 0.982 959 D CA 1.452 55.470 54.000 0.030 0.000 0.857 959 D CB -0.024 40.801 40.800 0.042 0.000 0.934 959 D HN 0.545 nan 8.370 nan 0.000 0.475 960 G N -0.077 108.740 108.800 0.028 0.000 2.618 960 G HA2 -0.139 3.825 3.960 0.007 0.000 0.180 960 G HA3 -0.139 3.825 3.960 0.007 0.000 0.180 960 G C -0.467 174.466 174.900 0.054 0.000 1.092 960 G CA -0.402 44.718 45.100 0.034 0.000 0.856 960 G HN 0.214 nan 8.290 nan 0.000 0.496 961 L N -0.132 121.136 121.223 0.074 0.000 2.365 961 L HA 0.601 4.946 4.340 0.007 0.000 0.273 961 L C 0.581 177.560 176.870 0.183 0.000 1.000 961 L CA -1.096 53.816 54.840 0.119 0.000 0.819 961 L CB 2.121 44.259 42.059 0.132 0.000 1.284 961 L HN 0.158 nan 8.230 nan 0.000 0.418 962 K N 2.307 122.842 120.400 0.225 0.000 2.368 962 K HA 0.310 4.634 4.320 0.007 0.000 0.282 962 K C -1.441 175.429 176.600 0.449 0.000 1.035 962 K CA -0.072 56.403 56.287 0.313 0.000 0.973 962 K CB 0.596 33.301 32.500 0.342 0.000 0.957 962 K HN 0.493 nan 8.250 nan 0.000 0.474 963 F N 5.313 125.352 119.950 0.150 0.000 2.745 963 F HA 0.291 4.823 4.527 0.008 0.000 0.343 963 F C -1.618 174.185 175.800 0.004 0.000 1.196 963 F CA -0.770 57.294 58.000 0.107 0.000 1.021 963 F CB 1.021 40.072 39.000 0.085 0.000 1.297 963 F HN 0.109 nan 8.300 nan 0.000 0.486 964 V N 5.657 125.299 119.914 -0.453 0.000 2.435 964 V HA 0.500 4.624 4.120 0.007 0.000 0.290 964 V C -0.510 175.287 176.094 -0.496 0.000 1.030 964 V CA -0.869 61.163 62.300 -0.448 0.000 0.881 964 V CB 1.746 33.254 31.823 -0.524 0.000 0.983 964 V HN 0.642 nan 8.190 nan 0.000 0.445 965 K N 3.104 123.314 120.400 -0.316 0.000 2.376 965 K HA 0.738 5.062 4.320 0.007 0.000 0.257 965 K C -1.533 175.019 176.600 -0.080 0.000 0.939 965 K CA -0.583 55.590 56.287 -0.191 0.000 0.809 965 K CB 2.384 34.811 32.500 -0.121 0.000 1.121 965 K HN 0.479 nan 8.250 nan 0.000 0.425 966 V N 3.432 123.335 119.914 -0.019 0.000 2.487 966 V HA 0.424 4.548 4.120 0.007 0.000 0.298 966 V C -0.408 175.747 176.094 0.102 0.000 1.028 966 V CA -0.862 61.448 62.300 0.016 0.000 0.860 966 V CB 1.662 33.470 31.823 -0.025 0.000 0.991 966 V HN 0.645 nan 8.190 nan 0.000 0.427 967 R N 3.255 123.798 120.500 0.072 0.000 2.343 967 R HA 0.743 5.088 4.340 0.007 0.000 0.320 967 R C -1.398 174.923 176.300 0.035 0.000 0.956 967 R CA -0.341 55.814 56.100 0.092 0.000 0.836 967 R CB 1.789 32.171 30.300 0.137 0.000 1.151 967 R HN 0.574 nan 8.270 nan 0.000 0.450 968 V N 4.511 124.429 119.914 0.006 0.000 2.547 968 V HA 0.520 4.644 4.120 0.007 0.000 0.299 968 V C -0.010 175.920 176.094 -0.272 0.000 1.040 968 V CA -0.747 61.501 62.300 -0.087 0.000 0.913 968 V CB 1.776 33.595 31.823 -0.007 0.000 0.992 968 V HN 0.664 nan 8.190 nan 0.000 0.449 969 R N 1.962 122.276 120.500 -0.309 0.000 2.513 969 R HA 0.678 5.023 4.340 0.007 0.000 0.301 969 R C -1.207 174.943 176.300 -0.249 0.000 0.968 969 R CA -0.230 55.582 56.100 -0.481 0.000 0.872 969 R CB 2.005 31.970 30.300 -0.558 0.000 1.177 969 R HN 0.884 nan 8.270 nan 0.000 0.444 970 T N 1.286 115.737 114.554 -0.172 0.000 2.907 970 T HA 0.347 4.701 4.350 0.007 0.000 0.292 970 T C -0.489 174.251 174.700 0.068 0.000 1.043 970 T CA -0.544 61.568 62.100 0.018 0.000 1.003 970 T CB 2.062 71.041 68.868 0.185 0.000 1.084 970 T HN 0.327 nan 8.240 nan 0.000 0.483 971 T N 2.524 117.121 114.554 0.071 0.000 2.829 971 T HA 0.459 4.813 4.350 0.007 0.000 0.282 971 T C -0.362 174.352 174.700 0.024 0.000 0.990 971 T CA -0.646 61.496 62.100 0.069 0.000 1.028 971 T CB 0.637 69.554 68.868 0.080 0.000 0.951 971 T HN 0.347 nan 8.240 nan 0.000 0.460 972 K N 3.434 123.823 120.400 -0.018 0.000 2.394 972 K HA 0.506 4.830 4.320 0.007 0.000 0.260 972 K C -0.541 176.010 176.600 -0.082 0.000 0.967 972 K CA -0.485 55.773 56.287 -0.048 0.000 0.855 972 K CB 1.330 33.784 32.500 -0.076 0.000 1.101 972 K HN 0.525 nan 8.250 nan 0.000 0.433 973 I N 3.938 124.473 120.570 -0.058 0.000 2.428 973 I HA 0.236 4.410 4.170 0.007 0.000 0.296 973 I C -1.839 174.285 176.117 0.012 0.000 0.985 973 I CA -2.643 58.630 61.300 -0.044 0.000 1.260 973 I CB 0.933 38.911 38.000 -0.036 0.000 1.389 973 I HN 0.338 nan 8.210 nan 0.000 0.484 974 P HA -0.035 nan 4.420 nan 0.000 0.250 974 P C -0.311 177.027 177.300 0.063 0.000 1.198 974 P CA 0.500 63.685 63.100 0.142 0.000 1.118 974 P CB 0.233 32.053 31.700 0.199 0.000 1.208 975 Q N 1.604 121.435 119.800 0.052 0.000 2.319 975 Q HA 0.205 4.549 4.340 0.007 0.000 0.173 975 Q C 1.685 177.688 176.000 0.006 0.000 1.112 975 Q CA -0.559 55.255 55.803 0.018 0.000 1.144 975 Q CB 0.512 29.260 28.738 0.016 0.000 1.765 975 Q HN 0.272 nan 8.270 nan 0.000 0.594 976 I N -0.456 120.110 120.570 -0.005 0.000 2.206 976 I HA -0.081 4.093 4.170 0.007 0.000 0.239 976 I C 1.505 177.626 176.117 0.006 0.000 1.078 976 I CA 1.066 62.353 61.300 -0.022 0.000 1.367 976 I CB -0.449 37.536 38.000 -0.024 0.000 1.078 976 I HN 0.677 nan 8.210 nan 0.000 0.413 977 G N 1.415 110.232 108.800 0.028 0.000 3.414 977 G HA2 0.010 3.974 3.960 0.007 0.000 0.258 977 G HA3 0.010 3.974 3.960 0.007 0.000 0.258 977 G C -0.402 174.546 174.900 0.080 0.000 1.348 977 G CA -0.173 44.953 45.100 0.044 0.000 1.319 977 G HN 0.216 nan 8.290 nan 0.000 0.555 978 D N 0.219 120.704 120.400 0.142 0.000 2.210 978 D HA 0.290 4.935 4.640 0.007 0.000 0.249 978 D C 0.115 176.633 176.300 0.363 0.000 1.062 978 D CA -0.099 54.041 54.000 0.234 0.000 0.891 978 D CB 1.847 42.862 40.800 0.358 0.000 1.186 978 D HN 0.110 nan 8.370 nan 0.000 0.432 979 K N 1.883 122.405 120.400 0.204 0.000 2.213 979 K HA 0.412 4.736 4.320 0.007 0.000 0.270 979 K C -1.332 175.350 176.600 0.138 0.000 1.002 979 K CA -0.386 56.029 56.287 0.212 0.000 0.868 979 K CB 0.444 33.010 32.500 0.110 0.000 1.093 979 K HN 0.142 nan 8.250 nan 0.000 0.454 980 F N 1.497 121.428 119.950 -0.033 0.000 2.631 980 F HA 0.759 5.290 4.527 0.006 0.000 0.328 980 F C -0.274 175.549 175.800 0.039 0.000 1.067 980 F CA -0.800 57.172 58.000 -0.047 0.000 0.969 980 F CB 2.314 41.240 39.000 -0.124 0.000 1.332 980 F HN 0.607 nan 8.300 nan 0.000 0.490 981 A N 0.336 123.286 122.820 0.217 0.000 2.594 981 A HA 0.612 4.937 4.320 0.007 0.000 0.296 981 A C -0.547 176.873 177.584 -0.273 0.000 1.056 981 A CA -0.195 51.862 52.037 0.034 0.000 0.693 981 A CB 1.125 20.137 19.000 0.021 0.000 1.278 981 A HN 0.933 nan 8.150 nan 0.000 0.408 982 S N 0.892 116.191 115.700 -0.669 0.000 2.546 982 S HA 0.432 4.906 4.470 0.007 0.000 0.265 982 S C 0.615 175.035 174.600 -0.301 0.000 1.190 982 S CA -0.066 57.683 58.200 -0.752 0.000 1.014 982 S CB 0.347 62.977 63.200 -0.951 0.000 1.087 982 S HN 0.669 nan 8.310 nan 0.000 0.525 983 R N -0.401 119.931 120.500 -0.280 0.000 2.449 983 R HA 0.275 4.619 4.340 0.007 0.000 0.262 983 R C -0.191 175.755 176.300 -0.590 0.000 1.006 983 R CA 0.194 56.086 56.100 -0.348 0.000 1.104 983 R CB -0.262 29.827 30.300 -0.352 0.000 1.206 983 R HN 0.678 nan 8.270 nan 0.000 0.538 984 H N -1.891 117.158 119.070 -0.034 0.000 2.865 984 H HA 0.243 4.803 4.556 0.007 0.000 0.247 984 H C 0.681 176.038 175.328 0.048 0.000 1.181 984 H CA 0.225 56.293 56.048 0.033 0.000 0.975 984 H CB 1.615 31.424 29.762 0.078 0.000 1.899 984 H HN 0.254 nan 8.280 nan 0.000 0.651 985 G N 1.404 110.264 108.800 0.101 0.000 2.149 985 G HA2 -0.322 3.643 3.960 0.007 0.000 0.235 985 G HA3 -0.322 3.643 3.960 0.007 0.000 0.235 985 G C 0.252 175.176 174.900 0.041 0.000 1.018 985 G CA -0.059 45.091 45.100 0.082 0.000 0.728 985 G HN 0.338 nan 8.290 nan 0.000 0.508 986 Q N 1.062 120.902 119.800 0.067 0.000 2.963 986 Q HA 0.396 4.741 4.340 0.007 0.000 0.262 986 Q C 0.887 176.930 176.000 0.070 0.000 1.318 986 Q CA -0.259 55.588 55.803 0.075 0.000 1.089 986 Q CB -0.128 28.707 28.738 0.162 0.000 1.424 986 Q HN 0.683 nan 8.270 nan 0.000 0.560 987 K N -0.111 120.318 120.400 0.047 0.000 2.298 987 K HA 0.705 5.029 4.320 0.007 0.000 0.280 987 K C -0.004 176.641 176.600 0.076 0.000 1.032 987 K CA -0.479 55.850 56.287 0.070 0.000 0.958 987 K CB 1.076 33.606 32.500 0.051 0.000 0.978 987 K HN 0.363 nan 8.250 nan 0.000 0.472 988 G N 1.256 110.122 108.800 0.110 0.000 2.733 988 G HA2 0.306 4.271 3.960 0.007 0.000 0.297 988 G HA3 0.306 4.271 3.960 0.007 0.000 0.297 988 G C -1.037 173.917 174.900 0.089 0.000 1.452 988 G CA -0.819 44.329 45.100 0.080 0.000 0.940 988 G HN 0.660 nan 8.290 nan 0.000 0.547 989 T N -0.514 114.072 114.554 0.054 0.000 2.928 989 T HA 0.663 5.017 4.350 0.007 0.000 0.284 989 T C 0.664 175.337 174.700 -0.045 0.000 1.008 989 T CA -0.699 61.429 62.100 0.048 0.000 1.057 989 T CB 1.139 70.044 68.868 0.061 0.000 1.018 989 T HN 0.522 nan 8.240 nan 0.000 0.493 990 I N 2.527 123.019 120.570 -0.131 0.000 2.741 990 I HA 0.174 4.348 4.170 0.007 0.000 0.288 990 I C 1.586 177.650 176.117 -0.089 0.000 1.192 990 I CA 0.231 61.418 61.300 -0.188 0.000 1.426 990 I CB 0.285 38.128 38.000 -0.261 0.000 1.367 990 I HN 1.024 nan 8.210 nan 0.000 0.563 991 G N 6.527 115.283 108.800 -0.074 0.000 2.656 991 G HA2 0.284 4.248 3.960 0.007 0.000 0.211 991 G HA3 0.284 4.248 3.960 0.007 0.000 0.211 991 G C 0.095 174.982 174.900 -0.022 0.000 1.137 991 G CA 0.369 45.475 45.100 0.010 0.000 0.802 991 G HN 0.465 nan 8.290 nan 0.000 0.527 992 I N -0.031 120.431 120.570 -0.179 0.000 3.021 992 I HA 0.446 4.620 4.170 0.007 0.000 0.305 992 I C -1.335 174.537 176.117 -0.408 0.000 1.434 992 I CA -0.673 60.413 61.300 -0.357 0.000 0.969 992 I CB 2.254 39.834 38.000 -0.701 0.000 1.328 992 I HN 0.006 nan 8.210 nan 0.000 0.486 993 T N 1.793 116.133 114.554 -0.357 0.000 2.833 993 T HA 0.613 4.967 4.350 0.007 0.000 0.297 993 T C -1.050 173.569 174.700 -0.135 0.000 1.015 993 T CA -0.373 61.580 62.100 -0.245 0.000 0.963 993 T CB 0.210 69.004 68.868 -0.123 0.000 0.955 993 T HN 0.372 nan 8.240 nan 0.000 0.449 994 Y N 1.765 122.050 120.300 -0.024 0.000 2.330 994 Y HA 0.516 5.070 4.550 0.007 0.000 0.336 994 Y C 1.309 177.218 175.900 0.015 0.000 1.036 994 Y CA -1.648 56.462 58.100 0.017 0.000 1.125 994 Y CB 1.504 40.020 38.460 0.093 0.000 1.194 994 Y HN 0.445 nan 8.280 nan 0.000 0.469 995 R N 0.875 121.485 120.500 0.184 0.000 2.822 995 R HA 0.062 4.407 4.340 0.007 0.000 0.277 995 R C 1.439 177.797 176.300 0.096 0.000 1.102 995 R CA -0.183 55.976 56.100 0.098 0.000 1.207 995 R CB 0.325 30.663 30.300 0.064 0.000 1.139 995 R HN 0.693 nan 8.270 nan 0.000 0.557 996 R N 0.741 121.272 120.500 0.053 0.000 2.303 996 R HA -0.204 4.140 4.340 0.007 0.000 0.225 996 R C 0.769 177.087 176.300 0.030 0.000 1.114 996 R CA 1.723 57.846 56.100 0.039 0.000 1.007 996 R CB 0.117 30.422 30.300 0.009 0.000 0.861 996 R HN 0.579 nan 8.270 nan 0.000 0.471 997 E N -0.040 120.181 120.200 0.036 0.000 2.022 997 E HA -0.106 4.248 4.350 0.007 0.000 0.190 997 E C 1.414 178.068 176.600 0.090 0.000 0.973 997 E CA 1.295 57.709 56.400 0.025 0.000 0.816 997 E CB -0.120 29.590 29.700 0.017 0.000 0.781 997 E HN 0.281 nan 8.360 nan 0.000 0.456 998 D N 0.375 120.851 120.400 0.127 0.000 2.263 998 D HA -0.093 4.551 4.640 0.007 0.000 0.208 998 D C 0.607 177.026 176.300 0.198 0.000 0.971 998 D CA 0.543 54.665 54.000 0.203 0.000 0.867 998 D CB -0.285 40.589 40.800 0.124 0.000 0.929 998 D HN 0.106 nan 8.370 nan 0.000 0.492 999 M N 2.018 121.736 119.600 0.197 0.000 2.249 999 M HA 0.119 4.603 4.480 0.007 0.000 0.340 999 M C -2.272 174.120 176.300 0.153 0.000 1.166 999 M CA -1.237 54.150 55.300 0.145 0.000 1.115 999 M CB 0.729 33.400 32.600 0.118 0.000 1.606 999 M HN -0.197 nan 8.290 nan 0.000 0.448 1000 P HA 0.287 nan 4.420 nan 0.000 0.273 1000 P C -1.419 176.039 177.300 0.264 0.000 1.250 1000 P CA -0.046 63.119 63.100 0.108 0.000 0.793 1000 P CB 0.334 31.949 31.700 -0.142 0.000 1.011 1001 F N -3.637 116.352 119.950 0.066 0.000 2.741 1001 F HA 0.662 5.193 4.527 0.007 0.000 0.313 1001 F C -0.940 174.912 175.800 0.086 0.000 1.153 1001 F CA -0.986 57.054 58.000 0.066 0.000 0.931 1001 F CB 1.042 40.080 39.000 0.063 0.000 1.335 1001 F HN 0.231 nan 8.300 nan 0.000 0.460 1002 T N 0.026 114.617 114.554 0.062 0.000 2.952 1002 T HA 0.598 4.952 4.350 0.007 0.000 0.286 1002 T C 0.993 175.804 174.700 0.185 0.000 1.024 1002 T CA 0.009 62.079 62.100 -0.051 0.000 1.029 1002 T CB 1.545 70.248 68.868 -0.275 0.000 1.094 1002 T HN 1.015 nan 8.240 nan 0.000 0.515 1003 A N 1.397 124.354 122.820 0.228 0.000 2.125 1003 A HA -0.025 4.299 4.320 0.007 0.000 0.219 1003 A C 1.766 179.432 177.584 0.137 0.000 1.156 1003 A CA 1.626 53.808 52.037 0.241 0.000 0.671 1003 A CB -0.547 18.595 19.000 0.237 0.000 0.794 1003 A HN 0.922 nan 8.150 nan 0.000 0.459 1004 E N -1.920 118.352 120.200 0.120 0.000 2.318 1004 E HA 0.279 4.633 4.350 0.007 0.000 0.193 1004 E C 1.176 177.842 176.600 0.111 0.000 0.998 1004 E CA 0.362 56.823 56.400 0.103 0.000 0.859 1004 E CB 0.009 29.775 29.700 0.110 0.000 0.812 1004 E HN 0.707 nan 8.360 nan 0.000 0.492 1005 G N 1.338 110.237 108.800 0.165 0.000 2.134 1005 G HA2 -0.184 3.780 3.960 0.007 0.000 0.209 1005 G HA3 -0.184 3.780 3.960 0.007 0.000 0.209 1005 G C 0.061 175.052 174.900 0.151 0.000 0.993 1005 G CA -0.429 44.783 45.100 0.187 0.000 0.669 1005 G HN 0.075 nan 8.290 nan 0.000 0.519 1006 I N 1.261 121.910 120.570 0.132 0.000 2.533 1006 I HA 0.273 4.447 4.170 0.007 0.000 0.284 1006 I C 0.844 177.110 176.117 0.248 0.000 1.109 1006 I CA -0.369 61.029 61.300 0.164 0.000 1.412 1006 I CB 0.897 39.002 38.000 0.175 0.000 1.396 1006 I HN -0.090 nan 8.210 nan 0.000 0.543 1007 V N 9.104 129.154 119.914 0.227 0.000 2.398 1007 V HA 0.339 4.463 4.120 0.007 0.000 0.286 1007 V C -1.973 174.234 176.094 0.188 0.000 1.026 1007 V CA -1.522 60.910 62.300 0.221 0.000 0.868 1007 V CB 1.696 33.594 31.823 0.124 0.000 0.982 1007 V HN 0.633 nan 8.190 nan 0.000 0.443 1008 P HA 0.254 nan 4.420 nan 0.000 0.279 1008 P C -0.119 177.129 177.300 -0.087 0.000 1.239 1008 P CA -0.237 62.823 63.100 -0.067 0.000 0.789 1008 P CB 1.254 32.847 31.700 -0.179 0.000 0.933 1009 D N 0.980 121.299 120.400 -0.134 0.000 2.312 1009 D HA 0.019 4.663 4.640 0.007 0.000 0.211 1009 D C 0.292 176.503 176.300 -0.148 0.000 0.964 1009 D CA 1.275 55.212 54.000 -0.105 0.000 0.877 1009 D CB 0.216 40.963 40.800 -0.088 0.000 0.924 1009 D HN 0.154 nan 8.370 nan 0.000 0.515 1010 L N 0.656 121.757 121.223 -0.204 0.000 2.639 1010 L HA 0.285 4.629 4.340 0.007 0.000 0.264 1010 L C -1.724 175.012 176.870 -0.223 0.000 0.948 1010 L CA -0.403 54.282 54.840 -0.259 0.000 0.912 1010 L CB 1.834 43.666 42.059 -0.377 0.000 1.294 1010 L HN -0.286 nan 8.230 nan 0.000 0.412 1011 I N 6.190 126.652 120.570 -0.180 0.000 2.337 1011 I HA 0.435 4.609 4.170 0.007 0.000 0.285 1011 I C -0.121 175.950 176.117 -0.077 0.000 1.041 1011 I CA -0.248 60.981 61.300 -0.118 0.000 1.199 1011 I CB 0.869 38.810 38.000 -0.098 0.000 1.370 1011 I HN 0.408 nan 8.210 nan 0.000 0.470 1012 I N 2.558 123.104 120.570 -0.040 0.000 2.499 1012 I HA 0.462 4.637 4.170 0.007 0.000 0.296 1012 I C 0.423 176.544 176.117 0.007 0.000 0.992 1012 I CA -0.460 60.840 61.300 0.000 0.000 1.297 1012 I CB 0.481 38.511 38.000 0.050 0.000 1.410 1012 I HN 0.372 nan 8.210 nan 0.000 0.507 1013 N N 6.002 124.707 118.700 0.007 0.000 2.497 1013 N HA 0.160 4.905 4.740 0.007 0.000 0.268 1013 N C -1.699 173.822 175.510 0.018 0.000 1.171 1013 N CA -1.457 51.591 53.050 -0.003 0.000 0.948 1013 N CB 1.111 39.586 38.487 -0.021 0.000 1.069 1013 N HN 0.491 nan 8.380 nan 0.000 0.460 1014 P HA -0.068 nan 4.420 nan 0.000 0.251 1014 P C 0.428 177.820 177.300 0.154 0.000 1.251 1014 P CA 1.018 64.152 63.100 0.056 0.000 0.763 1014 P CB -0.086 31.654 31.700 0.067 0.000 1.067 1015 H N -0.186 118.871 119.070 -0.021 0.000 2.465 1015 H HA 0.240 4.800 4.556 0.007 0.000 0.289 1015 H C 1.004 176.309 175.328 -0.038 0.000 1.022 1015 H CA 0.143 56.176 56.048 -0.024 0.000 1.340 1015 H CB 0.450 30.205 29.762 -0.013 0.000 1.437 1015 H HN 0.087 nan 8.280 nan 0.000 0.539 1016 A N 1.347 124.214 122.820 0.078 0.000 3.135 1016 A HA 0.144 4.468 4.320 0.007 0.000 0.253 1016 A C 0.866 178.421 177.584 -0.048 0.000 1.638 1016 A CA 0.116 52.154 52.037 0.001 0.000 1.295 1016 A CB -0.574 18.426 19.000 0.000 0.000 1.106 1016 A HN 0.284 nan 8.150 nan 0.000 0.648 1017 I N 0.075 120.614 120.570 -0.052 0.000 3.739 1017 I HA 0.117 4.291 4.170 0.007 0.000 0.272 1017 I C -1.297 174.773 176.117 -0.078 0.000 1.167 1017 I CA 0.350 61.596 61.300 -0.091 0.000 1.386 1017 I CB -0.499 37.444 38.000 -0.097 0.000 1.490 1017 I HN 0.185 nan 8.210 nan 0.000 0.452 1018 P HA 0.227 nan 4.420 nan 0.000 0.263 1018 P C 0.839 178.105 177.300 -0.058 0.000 1.448 1018 P CA 0.625 63.688 63.100 -0.062 0.000 0.983 1018 P CB 0.727 32.390 31.700 -0.062 0.000 1.481 1019 S N -0.309 115.355 115.700 -0.059 0.000 2.524 1019 S HA 0.204 4.679 4.470 0.007 0.000 0.222 1019 S C 1.098 175.664 174.600 -0.055 0.000 1.040 1019 S CA 0.029 58.192 58.200 -0.062 0.000 0.915 1019 S CB 0.232 63.393 63.200 -0.066 0.000 0.831 1019 S HN 0.034 nan 8.310 nan 0.000 0.492 1020 R N -0.473 119.995 120.500 -0.053 0.000 1.700 1020 R HA 0.034 4.378 4.340 0.007 0.000 0.377 1020 R C -0.660 175.612 176.300 -0.046 0.000 0.204 1020 R CA 0.228 56.293 56.100 -0.058 0.000 1.425 1020 R CB -1.858 28.406 30.300 -0.061 0.000 1.852 1020 R HN 0.294 nan 8.270 nan 0.000 0.192 1021 M N 0.943 120.521 119.600 -0.037 0.000 2.330 1021 M HA -0.098 4.386 4.480 0.007 0.000 0.436 1021 M C 0.214 176.503 176.300 -0.018 0.000 1.536 1021 M CA 2.116 57.399 55.300 -0.029 0.000 0.842 1021 M CB 0.177 32.768 32.600 -0.015 0.000 2.060 1021 M HN 0.254 nan 8.290 nan 0.000 0.511 1022 T N 2.741 117.273 114.554 -0.036 0.000 4.314 1022 T HA 0.280 4.634 4.350 0.007 0.000 0.234 1022 T C 0.549 175.194 174.700 -0.092 0.000 0.954 1022 T CA -0.551 61.528 62.100 -0.036 0.000 1.329 1022 T CB -0.040 68.819 68.868 -0.015 0.000 0.883 1022 T HN 0.386 nan 8.240 nan 0.000 0.577 1023 V N 1.095 120.967 119.914 -0.071 0.000 2.720 1023 V HA -0.017 4.108 4.120 0.007 0.000 0.256 1023 V C 2.978 178.975 176.094 -0.161 0.000 1.082 1023 V CA 1.960 64.198 62.300 -0.102 0.000 1.101 1023 V CB -1.133 30.661 31.823 -0.049 0.000 0.693 1023 V HN 0.766 nan 8.190 nan 0.000 0.479 1024 A N -0.362 122.354 122.820 -0.172 0.000 1.898 1024 A HA -0.269 4.055 4.320 0.007 0.000 0.216 1024 A C 2.235 179.572 177.584 -0.411 0.000 1.181 1024 A CA 1.779 53.664 52.037 -0.253 0.000 0.620 1024 A CB -0.858 18.111 19.000 -0.052 0.000 0.819 1024 A HN 0.626 nan 8.150 nan 0.000 0.442 1025 H N 0.428 119.027 119.070 -0.785 0.000 2.325 1025 H HA -0.184 4.376 4.556 0.007 0.000 0.293 1025 H C 1.901 177.128 175.328 -0.168 0.000 1.106 1025 H CA 2.287 58.054 56.048 -0.470 0.000 1.247 1025 H CB -0.472 29.121 29.762 -0.282 0.000 1.359 1025 H HN 0.425 nan 8.280 nan 0.000 0.488 1026 L N -0.078 121.147 121.223 0.004 0.000 2.012 1026 L HA -0.233 4.112 4.340 0.007 0.000 0.210 1026 L C 2.957 179.782 176.870 -0.074 0.000 1.073 1026 L CA 1.563 56.347 54.840 -0.094 0.000 0.748 1026 L CB -0.419 41.450 42.059 -0.317 0.000 0.891 1026 L HN 0.239 nan 8.230 nan 0.000 0.431 1027 I N -0.678 119.746 120.570 -0.244 0.000 2.142 1027 I HA -0.297 3.877 4.170 0.007 0.000 0.240 1027 I C 2.607 178.568 176.117 -0.260 0.000 1.078 1027 I CA 1.381 62.434 61.300 -0.411 0.000 1.343 1027 I CB -0.536 36.916 38.000 -0.913 0.000 1.046 1027 I HN 0.322 nan 8.210 nan 0.000 0.405 1028 E N 0.646 120.778 120.200 -0.112 0.000 2.086 1028 E HA -0.359 3.995 4.350 0.007 0.000 0.205 1028 E C 2.363 179.016 176.600 0.088 0.000 1.027 1028 E CA 2.315 58.790 56.400 0.125 0.000 0.830 1028 E CB -0.208 29.620 29.700 0.214 0.000 0.751 1028 E HN 0.597 nan 8.360 nan 0.000 0.456 1029 C N 0.046 119.407 119.300 0.102 0.000 2.425 1029 C HA -0.119 4.345 4.460 0.007 0.000 0.277 1029 C C 2.683 177.709 174.990 0.059 0.000 1.280 1029 C CA 0.815 59.903 59.018 0.116 0.000 1.744 1029 C CB -1.072 26.834 27.740 0.277 0.000 1.989 1029 C HN 0.529 nan 8.230 nan 0.000 0.491 1030 L N 0.182 121.471 121.223 0.110 0.000 2.044 1030 L HA 0.031 4.375 4.340 0.007 0.000 0.205 1030 L C 2.270 179.148 176.870 0.013 0.000 1.075 1030 L CA 1.572 56.447 54.840 0.059 0.000 0.747 1030 L CB -0.847 41.263 42.059 0.085 0.000 0.903 1030 L HN 0.347 nan 8.230 nan 0.000 0.435 1031 L N -1.077 120.156 121.223 0.016 0.000 2.012 1031 L HA -0.227 4.117 4.340 0.007 0.000 0.210 1031 L C 2.508 179.402 176.870 0.040 0.000 1.073 1031 L CA 2.106 56.978 54.840 0.053 0.000 0.748 1031 L CB -0.953 41.193 42.059 0.144 0.000 0.891 1031 L HN 0.266 nan 8.230 nan 0.000 0.431 1032 S N -0.580 115.141 115.700 0.036 0.000 2.383 1032 S HA -0.247 4.227 4.470 0.007 0.000 0.229 1032 S C 1.942 176.525 174.600 -0.027 0.000 1.030 1032 S CA 1.579 59.787 58.200 0.013 0.000 1.002 1032 S CB -0.333 62.882 63.200 0.025 0.000 0.829 1032 S HN 0.435 nan 8.310 nan 0.000 0.467 1033 K N 0.746 121.113 120.400 -0.055 0.000 2.001 1033 K HA -0.121 4.203 4.320 0.007 0.000 0.214 1033 K C 2.069 178.610 176.600 -0.098 0.000 1.050 1033 K CA 1.609 57.833 56.287 -0.106 0.000 0.934 1033 K CB -0.527 31.884 32.500 -0.148 0.000 0.718 1033 K HN 0.125 nan 8.250 nan 0.000 0.443 1034 V N 1.138 121.019 119.914 -0.055 0.000 2.252 1034 V HA -0.342 3.782 4.120 0.007 0.000 0.249 1034 V C 2.326 178.386 176.094 -0.056 0.000 1.056 1034 V CA 2.197 64.472 62.300 -0.042 0.000 1.022 1034 V CB -0.798 31.049 31.823 0.041 0.000 0.641 1034 V HN 0.522 nan 8.190 nan 0.000 0.445 1035 A N -0.378 122.429 122.820 -0.021 0.000 1.948 1035 A HA -0.205 4.119 4.320 0.007 0.000 0.220 1035 A C 2.354 179.916 177.584 -0.036 0.000 1.177 1035 A CA 2.473 54.502 52.037 -0.015 0.000 0.636 1035 A CB -0.749 18.249 19.000 -0.004 0.000 0.815 1035 A HN 0.653 nan 8.150 nan 0.000 0.449 1036 A N -0.886 121.901 122.820 -0.055 0.000 1.970 1036 A HA 0.185 4.509 4.320 0.007 0.000 0.216 1036 A C 2.109 179.649 177.584 -0.074 0.000 1.170 1036 A CA 1.264 53.269 52.037 -0.054 0.000 0.645 1036 A CB -0.399 18.570 19.000 -0.053 0.000 0.816 1036 A HN 0.451 nan 8.150 nan 0.000 0.447 1037 L N 0.007 121.143 121.223 -0.145 0.000 2.102 1037 L HA -0.077 4.267 4.340 0.007 0.000 0.202 1037 L C 2.845 179.609 176.870 -0.176 0.000 1.076 1037 L CA 1.487 56.201 54.840 -0.210 0.000 0.761 1037 L CB -0.410 41.383 42.059 -0.444 0.000 0.921 1037 L HN 0.487 nan 8.230 nan 0.000 0.444 1038 S N -0.716 114.878 115.700 -0.175 0.000 2.489 1038 S HA 0.105 4.579 4.470 0.007 0.000 0.228 1038 S C 1.748 176.370 174.600 0.038 0.000 0.995 1038 S CA 0.629 58.850 58.200 0.036 0.000 0.934 1038 S CB 0.165 63.447 63.200 0.136 0.000 0.771 1038 S HN 0.578 nan 8.310 nan 0.000 0.522 1039 G N 1.752 110.553 108.800 0.001 0.000 2.383 1039 G HA2 -0.280 3.684 3.960 0.007 0.000 0.229 1039 G HA3 -0.280 3.684 3.960 0.007 0.000 0.229 1039 G C 0.083 174.987 174.900 0.007 0.000 1.089 1039 G CA 0.029 45.133 45.100 0.007 0.000 0.640 1039 G HN 0.547 nan 8.290 nan 0.000 0.510 1040 N N 2.065 120.776 118.700 0.017 0.000 2.412 1040 N HA 0.193 4.937 4.740 0.007 0.000 0.254 1040 N C 0.209 175.720 175.510 0.002 0.000 1.232 1040 N CA 0.465 53.523 53.050 0.014 0.000 0.880 1040 N CB 0.686 39.189 38.487 0.028 0.000 1.076 1040 N HN 0.703 nan 8.380 nan 0.000 0.458 1041 E N 1.215 121.410 120.200 -0.009 0.000 2.180 1041 E HA 0.185 4.539 4.350 0.007 0.000 0.283 1041 E C 0.193 176.780 176.600 -0.023 0.000 1.061 1041 E CA -0.693 55.694 56.400 -0.022 0.000 0.861 1041 E CB 0.435 30.114 29.700 -0.036 0.000 1.056 1041 E HN 0.556 nan 8.360 nan 0.000 0.407 1042 G N 3.600 112.392 108.800 -0.013 0.000 2.554 1042 G HA2 -0.059 3.905 3.960 0.007 0.000 0.238 1042 G HA3 -0.059 3.905 3.960 0.007 0.000 0.238 1042 G C -0.331 174.548 174.900 -0.035 0.000 1.259 1042 G CA -0.381 44.721 45.100 0.004 0.000 0.843 1042 G HN 0.612 nan 8.290 nan 0.000 0.582 1043 D N 0.737 121.120 120.400 -0.029 0.000 2.412 1043 D HA 0.460 5.104 4.640 0.007 0.000 0.224 1043 D C 0.771 176.954 176.300 -0.194 0.000 1.093 1043 D CA -0.269 53.668 54.000 -0.105 0.000 0.850 1043 D CB 1.163 41.915 40.800 -0.080 0.000 1.046 1043 D HN 0.302 nan 8.370 nan 0.000 0.507 1044 A N 2.820 125.423 122.820 -0.361 0.000 2.387 1044 A HA 0.195 4.519 4.320 0.007 0.000 0.234 1044 A C 0.925 177.986 177.584 -0.872 0.000 1.253 1044 A CA -0.291 51.237 52.037 -0.849 0.000 0.894 1044 A CB 0.013 18.693 19.000 -0.535 0.000 0.963 1044 A HN 0.433 nan 8.150 nan 0.000 0.508 1045 S N 1.896 117.315 115.700 -0.468 0.000 2.558 1045 S HA 0.136 4.610 4.470 0.007 0.000 0.287 1045 S C -1.460 172.977 174.600 -0.273 0.000 1.321 1045 S CA -0.446 57.582 58.200 -0.286 0.000 1.048 1045 S CB 0.615 63.724 63.200 -0.152 0.000 0.844 1045 S HN 0.282 nan 8.310 nan 0.000 0.512 1046 P HA -0.023 nan 4.420 nan 0.000 0.205 1046 P C -0.065 176.985 177.300 -0.416 0.000 1.203 1046 P CA 1.086 63.901 63.100 -0.475 0.000 0.926 1046 P CB 0.062 31.299 31.700 -0.771 0.000 0.767 1047 F N 0.247 120.299 119.950 0.170 0.000 2.359 1047 F HA 0.348 4.879 4.527 0.007 0.000 0.355 1047 F C 0.616 176.540 175.800 0.207 0.000 1.132 1047 F CA -0.457 57.627 58.000 0.140 0.000 1.246 1047 F CB -0.535 38.492 39.000 0.043 0.000 1.569 1047 F HN -0.089 nan 8.300 nan 0.000 0.561 1048 T N -3.026 111.709 114.554 0.301 0.000 2.883 1048 T HA 0.318 4.672 4.350 0.007 0.000 0.301 1048 T C -0.806 174.031 174.700 0.227 0.000 1.158 1048 T CA -1.083 61.175 62.100 0.263 0.000 1.007 1048 T CB 2.045 71.033 68.868 0.199 0.000 1.186 1048 T HN -0.020 nan 8.240 nan 0.000 0.499 1049 D N 1.369 121.884 120.400 0.192 0.000 2.470 1049 D HA 0.441 5.085 4.640 0.007 0.000 0.226 1049 D C -0.668 175.728 176.300 0.160 0.000 1.196 1049 D CA 0.185 54.284 54.000 0.166 0.000 0.979 1049 D CB -0.373 40.509 40.800 0.136 0.000 1.059 1049 D HN 0.460 nan 8.370 nan 0.000 0.515 1050 I N 1.270 121.958 120.570 0.196 0.000 2.512 1050 I HA 0.152 4.326 4.170 0.007 0.000 0.287 1050 I C -0.086 176.136 176.117 0.174 0.000 1.069 1050 I CA -0.433 60.983 61.300 0.194 0.000 1.056 1050 I CB 2.205 40.367 38.000 0.270 0.000 1.229 1050 I HN -0.076 nan 8.210 nan 0.000 0.429 1051 T N 4.584 119.202 114.554 0.108 0.000 2.895 1051 T HA 0.283 4.637 4.350 0.007 0.000 0.283 1051 T C 1.340 176.042 174.700 0.004 0.000 1.014 1051 T CA -0.740 61.400 62.100 0.066 0.000 1.037 1051 T CB 2.275 71.183 68.868 0.066 0.000 1.006 1051 T HN 0.265 nan 8.240 nan 0.000 0.468 1052 V N 1.477 121.364 119.914 -0.046 0.000 2.255 1052 V HA -0.160 3.964 4.120 0.007 0.000 0.247 1052 V C 2.479 178.569 176.094 -0.007 0.000 1.051 1052 V CA 1.556 63.814 62.300 -0.071 0.000 1.018 1052 V CB -0.707 31.061 31.823 -0.090 0.000 0.641 1052 V HN 0.898 nan 8.190 nan 0.000 0.445 1053 E N 0.496 120.705 120.200 0.014 0.000 2.396 1053 E HA -0.165 4.190 4.350 0.007 0.000 0.200 1053 E C 2.131 178.755 176.600 0.040 0.000 1.023 1053 E CA 1.213 57.633 56.400 0.032 0.000 0.857 1053 E CB -0.225 29.496 29.700 0.036 0.000 0.775 1053 E HN 0.718 nan 8.360 nan 0.000 0.525 1054 G N 0.222 109.046 108.800 0.041 0.000 2.656 1054 G HA2 -0.059 3.905 3.960 0.007 0.000 0.211 1054 G HA3 -0.059 3.905 3.960 0.007 0.000 0.211 1054 G C 1.471 176.404 174.900 0.055 0.000 1.137 1054 G CA -0.230 44.901 45.100 0.052 0.000 0.802 1054 G HN 0.047 nan 8.290 nan 0.000 0.527 1055 I N 1.719 122.315 120.570 0.043 0.000 2.233 1055 I HA -0.037 4.137 4.170 0.007 0.000 0.243 1055 I C 2.786 178.941 176.117 0.064 0.000 1.093 1055 I CA 0.851 62.181 61.300 0.049 0.000 1.380 1055 I CB -1.137 36.873 38.000 0.016 0.000 1.067 1055 I HN 0.051 nan 8.210 nan 0.000 0.413 1056 S N 0.695 116.428 115.700 0.056 0.000 2.387 1056 S HA -0.229 4.246 4.470 0.007 0.000 0.230 1056 S C 1.988 176.634 174.600 0.076 0.000 1.035 1056 S CA 1.440 59.683 58.200 0.071 0.000 1.014 1056 S CB -0.184 63.054 63.200 0.063 0.000 0.836 1056 S HN 0.409 nan 8.310 nan 0.000 0.466 1057 K N 0.287 120.726 120.400 0.065 0.000 2.097 1057 K HA 0.041 4.365 4.320 0.007 0.000 0.205 1057 K C 1.915 178.554 176.600 0.066 0.000 1.050 1057 K CA 0.889 57.211 56.287 0.058 0.000 0.938 1057 K CB -0.180 32.348 32.500 0.047 0.000 0.718 1057 K HN 0.305 nan 8.250 nan 0.000 0.442 1058 L N 0.243 121.517 121.223 0.084 0.000 2.209 1058 L HA -0.106 4.238 4.340 0.007 0.000 0.207 1058 L C 2.180 179.159 176.870 0.182 0.000 1.094 1058 L CA 0.312 55.219 54.840 0.112 0.000 0.790 1058 L CB -0.100 42.030 42.059 0.119 0.000 0.932 1058 L HN 0.108 nan 8.230 nan 0.000 0.447 1059 L N -0.193 121.132 121.223 0.170 0.000 2.131 1059 L HA -0.115 4.229 4.340 0.007 0.000 0.206 1059 L C 2.683 179.682 176.870 0.215 0.000 1.087 1059 L CA 1.249 56.219 54.840 0.218 0.000 0.767 1059 L CB -0.362 41.793 42.059 0.160 0.000 0.917 1059 L HN 0.097 nan 8.230 nan 0.000 0.441 1060 R N 0.507 121.092 120.500 0.142 0.000 2.094 1060 R HA -0.257 4.087 4.340 0.007 0.000 0.239 1060 R C 2.198 178.542 176.300 0.073 0.000 1.137 1060 R CA 2.261 58.424 56.100 0.105 0.000 0.943 1060 R CB -0.761 29.582 30.300 0.072 0.000 0.850 1060 R HN 0.546 nan 8.270 nan 0.000 0.433 1061 E N -1.089 119.135 120.200 0.041 0.000 2.409 1061 E HA -0.172 4.182 4.350 0.007 0.000 0.198 1061 E C 0.606 177.150 176.600 -0.093 0.000 1.024 1061 E CA 0.565 56.940 56.400 -0.043 0.000 0.861 1061 E CB -0.010 29.636 29.700 -0.091 0.000 0.788 1061 E HN 0.497 nan 8.360 nan 0.000 0.521 1062 H N -1.353 117.752 119.070 0.059 0.000 2.538 1062 H HA 0.156 4.716 4.556 0.007 0.000 0.286 1062 H C 1.102 176.391 175.328 -0.065 0.000 1.035 1062 H CA 0.794 56.883 56.048 0.069 0.000 1.169 1062 H CB 0.962 30.831 29.762 0.178 0.000 1.417 1062 H HN 0.390 nan 8.280 nan 0.000 0.567 1063 G N 0.201 108.962 108.800 -0.065 0.000 2.194 1063 G HA2 -0.256 3.708 3.960 0.007 0.000 0.236 1063 G HA3 -0.256 3.708 3.960 0.007 0.000 0.236 1063 G C -0.356 174.245 174.900 -0.499 0.000 0.987 1063 G CA 0.033 44.934 45.100 -0.331 0.000 0.635 1063 G HN 0.363 nan 8.290 nan 0.000 0.520 1064 Y N 0.386 120.732 120.300 0.076 0.000 2.549 1064 Y HA 0.664 5.219 4.550 0.007 0.000 0.339 1064 Y C 0.460 176.406 175.900 0.076 0.000 1.053 1064 Y CA -0.858 57.280 58.100 0.063 0.000 1.105 1064 Y CB 0.946 39.436 38.460 0.051 0.000 1.258 1064 Y HN 0.328 nan 8.280 nan 0.000 0.478 1065 Q N -0.232 119.717 119.800 0.249 0.000 2.368 1065 Q HA 0.292 4.636 4.340 0.007 0.000 0.237 1065 Q C 0.625 176.752 176.000 0.212 0.000 0.987 1065 Q CA 0.111 56.029 55.803 0.192 0.000 0.896 1065 Q CB 1.286 30.133 28.738 0.181 0.000 1.241 1065 Q HN 0.708 nan 8.270 nan 0.000 0.485 1066 S N 1.164 116.970 115.700 0.178 0.000 2.522 1066 S HA 0.064 4.538 4.470 0.007 0.000 0.227 1066 S C 0.538 175.235 174.600 0.162 0.000 0.986 1066 S CA 0.015 58.305 58.200 0.150 0.000 0.929 1066 S CB 0.038 63.305 63.200 0.112 0.000 0.769 1066 S HN 0.624 nan 8.310 nan 0.000 0.529 1067 R N 0.555 121.194 120.500 0.232 0.000 2.700 1067 R HA 0.424 4.768 4.340 0.007 0.000 0.399 1067 R C 1.208 177.634 176.300 0.208 0.000 1.115 1067 R CA 0.329 56.568 56.100 0.232 0.000 1.058 1067 R CB -0.084 30.391 30.300 0.292 0.000 1.389 1067 R HN 0.514 nan 8.270 nan 0.000 0.582 1068 G N 0.478 109.385 108.800 0.179 0.000 2.349 1068 G HA2 -0.281 3.683 3.960 0.007 0.000 0.213 1068 G HA3 -0.281 3.683 3.960 0.007 0.000 0.213 1068 G C 0.215 175.069 174.900 -0.077 0.000 1.044 1068 G CA -0.510 44.593 45.100 0.005 0.000 0.633 1068 G HN 0.223 nan 8.290 nan 0.000 0.506 1069 F N 1.277 121.310 119.950 0.138 0.000 2.456 1069 F HA 0.626 5.157 4.527 0.007 0.000 0.306 1069 F C 1.084 176.889 175.800 0.009 0.000 1.278 1069 F CA 0.680 58.742 58.000 0.104 0.000 1.264 1069 F CB 0.435 39.499 39.000 0.107 0.000 1.253 1069 F HN 0.132 nan 8.300 nan 0.000 0.554 1070 E N -0.733 119.584 120.200 0.196 0.000 2.422 1070 E HA 0.264 4.618 4.350 0.007 0.000 0.289 1070 E C -1.706 174.847 176.600 -0.079 0.000 0.985 1070 E CA -0.647 55.751 56.400 -0.003 0.000 0.812 1070 E CB 2.110 31.678 29.700 -0.220 0.000 1.226 1070 E HN 0.222 nan 8.360 nan 0.000 0.419 1071 V N 3.140 122.976 119.914 -0.130 0.000 2.529 1071 V HA 0.171 4.296 4.120 0.007 0.000 0.292 1071 V C 0.403 176.237 176.094 -0.433 0.000 1.028 1071 V CA 0.459 62.602 62.300 -0.261 0.000 1.074 1071 V CB -0.195 31.459 31.823 -0.281 0.000 0.958 1071 V HN 0.598 nan 8.190 nan 0.000 0.481 1072 M N 4.582 123.900 119.600 -0.471 0.000 2.602 1072 M HA 0.550 5.034 4.480 0.007 0.000 0.312 1072 M C -1.499 174.390 176.300 -0.684 0.000 1.181 1072 M CA -0.537 54.453 55.300 -0.517 0.000 0.910 1072 M CB 2.646 35.087 32.600 -0.265 0.000 1.723 1072 M HN 0.574 nan 8.290 nan 0.000 0.459 1073 Y N 0.769 120.745 120.300 -0.541 0.000 2.334 1073 Y HA 0.273 4.827 4.550 0.007 0.000 0.336 1073 Y C 0.440 176.174 175.900 -0.276 0.000 0.960 1073 Y CA -1.088 56.723 58.100 -0.482 0.000 1.164 1073 Y CB 0.533 38.526 38.460 -0.778 0.000 1.155 1073 Y HN 0.596 nan 8.280 nan 0.000 0.478 1074 N N 1.707 120.445 118.700 0.062 0.000 2.293 1074 N HA -0.080 4.664 4.740 0.007 0.000 0.253 1074 N C 1.072 176.710 175.510 0.215 0.000 1.248 1074 N CA 1.025 54.158 53.050 0.138 0.000 0.845 1074 N CB 1.403 39.929 38.487 0.065 0.000 1.073 1074 N HN 1.031 nan 8.380 nan 0.000 0.464 1075 G N 2.641 111.565 108.800 0.205 0.000 2.551 1075 G HA2 -0.159 3.805 3.960 0.007 0.000 0.216 1075 G HA3 -0.159 3.805 3.960 0.007 0.000 0.216 1075 G C 1.036 176.046 174.900 0.183 0.000 1.137 1075 G CA 0.323 45.574 45.100 0.252 0.000 0.798 1075 G HN 0.718 nan 8.290 nan 0.000 0.536 1076 H N -0.202 118.933 119.070 0.109 0.000 2.428 1076 H HA 0.025 4.586 4.556 0.007 0.000 0.296 1076 H C 2.411 177.764 175.328 0.042 0.000 1.062 1076 H CA 1.590 57.653 56.048 0.025 0.000 1.350 1076 H CB -0.269 29.468 29.762 -0.043 0.000 1.403 1076 H HN 0.395 nan 8.280 nan 0.000 0.533 1077 T N -2.108 112.551 114.554 0.175 0.000 2.964 1077 T HA 0.281 4.636 4.350 0.007 0.000 0.249 1077 T C 1.536 176.316 174.700 0.133 0.000 1.000 1077 T CA 1.024 63.199 62.100 0.126 0.000 0.992 1077 T CB -0.080 68.845 68.868 0.096 0.000 1.087 1077 T HN 0.555 nan 8.240 nan 0.000 0.489 1078 G N 1.864 110.777 108.800 0.188 0.000 2.179 1078 G HA2 -0.243 3.721 3.960 0.007 0.000 0.260 1078 G HA3 -0.243 3.721 3.960 0.007 0.000 0.260 1078 G C 0.047 175.068 174.900 0.201 0.000 0.977 1078 G CA 0.573 45.811 45.100 0.230 0.000 0.641 1078 G HN 0.735 nan 8.290 nan 0.000 0.533 1079 K N 1.173 121.662 120.400 0.149 0.000 2.312 1079 K HA 0.420 4.744 4.320 0.007 0.000 0.287 1079 K C 0.824 177.483 176.600 0.097 0.000 1.062 1079 K CA -0.633 55.724 56.287 0.117 0.000 0.934 1079 K CB 0.272 32.814 32.500 0.069 0.000 1.027 1079 K HN 0.188 nan 8.250 nan 0.000 0.478 1080 K N 3.700 124.155 120.400 0.092 0.000 2.513 1080 K HA -0.118 4.206 4.320 0.007 0.000 0.275 1080 K C -0.206 176.331 176.600 -0.104 0.000 1.025 1080 K CA 0.320 56.544 56.287 -0.104 0.000 1.125 1080 K CB 0.183 32.608 32.500 -0.125 0.000 0.843 1080 K HN 0.542 nan 8.250 nan 0.000 0.486 1081 L N 4.807 125.933 121.223 -0.162 0.000 2.477 1081 L HA -0.047 4.297 4.340 0.007 0.000 0.272 1081 L C 1.726 178.540 176.870 -0.093 0.000 1.157 1081 L CA -0.185 54.602 54.840 -0.089 0.000 0.889 1081 L CB 0.455 42.472 42.059 -0.069 0.000 1.158 1081 L HN 0.685 nan 8.230 nan 0.000 0.473 1082 M N 2.620 122.189 119.600 -0.052 0.000 2.549 1082 M HA 0.008 4.492 4.480 0.007 0.000 0.260 1082 M C 0.602 176.872 176.300 -0.051 0.000 1.076 1082 M CA 0.657 55.928 55.300 -0.048 0.000 1.090 1082 M CB -0.644 31.940 32.600 -0.028 0.000 1.418 1082 M HN 0.689 nan 8.290 nan 0.000 0.486 1083 A N 0.025 122.821 122.820 -0.041 0.000 2.354 1083 A HA 0.618 4.942 4.320 0.007 0.000 0.321 1083 A C -0.616 176.948 177.584 -0.035 0.000 1.125 1083 A CA -0.653 51.364 52.037 -0.034 0.000 0.799 1083 A CB 0.937 19.940 19.000 0.005 0.000 1.293 1083 A HN 0.304 nan 8.150 nan 0.000 0.452 1084 Q N 0.188 119.964 119.800 -0.041 0.000 2.259 1084 Q HA 0.597 4.941 4.340 0.007 0.000 0.249 1084 Q C -0.916 175.229 176.000 0.242 0.000 0.914 1084 Q CA 0.125 55.939 55.803 0.018 0.000 0.904 1084 Q CB 1.303 29.972 28.738 -0.116 0.000 1.213 1084 Q HN 0.597 nan 8.270 nan 0.000 0.428 1085 I N 1.536 122.268 120.570 0.270 0.000 2.488 1085 I HA 0.305 4.480 4.170 0.007 0.000 0.299 1085 I C -0.784 175.566 176.117 0.388 0.000 0.984 1085 I CA -0.549 60.936 61.300 0.309 0.000 1.250 1085 I CB 0.764 38.870 38.000 0.176 0.000 1.389 1085 I HN 0.513 nan 8.210 nan 0.000 0.488 1086 F N 6.664 126.652 119.950 0.062 0.000 2.404 1086 F HA 0.577 5.108 4.527 0.007 0.000 0.345 1086 F C -1.087 174.731 175.800 0.030 0.000 1.110 1086 F CA -0.480 57.405 58.000 -0.192 0.000 1.130 1086 F CB 0.652 39.414 39.000 -0.396 0.000 1.129 1086 F HN 0.248 nan 8.300 nan 0.000 0.500 1087 F N 4.245 123.667 119.950 -0.880 0.000 2.615 1087 F HA 0.694 5.226 4.527 0.007 0.000 0.312 1087 F C -0.479 174.933 175.800 -0.647 0.000 1.119 1087 F CA -0.084 57.601 58.000 -0.525 0.000 0.979 1087 F CB 1.855 40.677 39.000 -0.298 0.000 1.266 1087 F HN 0.798 nan 8.300 nan 0.000 0.444 1088 G N 3.890 112.330 108.800 -0.600 0.000 2.324 1088 G HA2 0.398 4.362 3.960 0.007 0.000 0.293 1088 G HA3 0.398 4.362 3.960 0.007 0.000 0.293 1088 G C -3.596 171.134 174.900 -0.283 0.000 1.297 1088 G CA -0.894 43.978 45.100 -0.381 0.000 0.853 1088 G HN 0.309 nan 8.290 nan 0.000 0.535 1089 P HA 0.492 nan 4.420 nan 0.000 0.293 1089 P C -0.794 176.521 177.300 0.025 0.000 1.300 1089 P CA -0.172 62.893 63.100 -0.059 0.000 0.792 1089 P CB 1.455 33.136 31.700 -0.033 0.000 0.925 1090 T N 2.268 116.885 114.554 0.105 0.000 2.937 1090 T HA 0.199 4.554 4.350 0.007 0.000 0.297 1090 T C -0.861 174.008 174.700 0.281 0.000 0.991 1090 T CA -0.418 61.782 62.100 0.167 0.000 0.990 1090 T CB 0.422 69.390 68.868 0.167 0.000 0.991 1090 T HN 0.176 nan 8.240 nan 0.000 0.440 1091 Y N 3.544 123.898 120.300 0.090 0.000 2.713 1091 Y HA 0.243 4.797 4.550 0.007 0.000 0.341 1091 Y C -0.797 175.193 175.900 0.150 0.000 1.167 1091 Y CA -0.427 57.747 58.100 0.123 0.000 1.503 1091 Y CB -0.187 38.303 38.460 0.051 0.000 1.199 1091 Y HN 0.591 nan 8.280 nan 0.000 0.525 1092 Y N 4.590 124.832 120.300 -0.097 0.000 2.360 1092 Y HA 0.346 4.900 4.550 0.007 0.000 0.337 1092 Y C -0.048 175.833 175.900 -0.031 0.000 1.039 1092 Y CA -0.634 57.486 58.100 0.033 0.000 1.109 1092 Y CB 1.257 39.877 38.460 0.267 0.000 1.201 1092 Y HN 0.492 nan 8.280 nan 0.000 0.458 1093 Q N 2.995 122.822 119.800 0.046 0.000 2.226 1093 Q HA 0.481 4.825 4.340 0.007 0.000 0.256 1093 Q C -0.811 175.185 176.000 -0.007 0.000 0.962 1093 Q CA -1.165 54.664 55.803 0.042 0.000 0.887 1093 Q CB 2.172 30.911 28.738 0.002 0.000 1.282 1093 Q HN 0.500 nan 8.270 nan 0.000 0.449 1094 R N 2.178 122.642 120.500 -0.060 0.000 2.215 1094 R HA 0.354 4.699 4.340 0.007 0.000 0.336 1094 R C -0.905 175.223 176.300 -0.286 0.000 0.996 1094 R CA -0.229 55.602 56.100 -0.447 0.000 0.847 1094 R CB 0.323 30.404 30.300 -0.366 0.000 1.127 1094 R HN 0.558 nan 8.270 nan 0.000 0.465 1095 L N 4.064 125.092 121.223 -0.325 0.000 2.456 1095 L HA 0.454 4.798 4.340 0.007 0.000 0.257 1095 L C 1.159 177.903 176.870 -0.209 0.000 1.162 1095 L CA -0.799 53.938 54.840 -0.171 0.000 0.808 1095 L CB 0.699 42.703 42.059 -0.090 0.000 1.136 1095 L HN 0.676 nan 8.230 nan 0.000 0.466 1096 R N -0.493 119.890 120.500 -0.193 0.000 3.066 1096 R HA 0.260 4.605 4.340 0.007 0.000 0.220 1096 R C -0.771 175.371 176.300 -0.263 0.000 1.122 1096 R CA -0.632 55.316 56.100 -0.254 0.000 1.083 1096 R CB -0.047 30.063 30.300 -0.316 0.000 0.947 1096 R HN 0.623 nan 8.270 nan 0.000 0.495 1097 H N -0.782 118.219 119.070 -0.114 0.000 3.784 1097 H HA -0.116 4.444 4.556 0.007 0.000 0.307 1097 H C -1.086 174.190 175.328 -0.087 0.000 0.816 1097 H CA 1.032 57.025 56.048 -0.092 0.000 0.907 1097 H CB -1.094 28.626 29.762 -0.070 0.000 1.406 1097 H HN 0.532 nan 8.280 nan 0.000 0.331 1098 M N 2.469 122.076 119.600 0.012 0.000 2.393 1098 M HA 0.215 4.699 4.480 0.007 0.000 0.299 1098 M C 1.858 178.160 176.300 0.005 0.000 1.103 1098 M CA -0.824 54.472 55.300 -0.006 0.000 0.910 1098 M CB 2.643 35.204 32.600 -0.065 0.000 1.659 1098 M HN 0.227 nan 8.290 nan 0.000 0.445 1099 V N -0.981 118.945 119.914 0.021 0.000 2.311 1099 V HA -0.293 3.831 4.120 0.007 0.000 0.256 1099 V C 1.123 177.225 176.094 0.013 0.000 1.077 1099 V CA 2.193 64.506 62.300 0.021 0.000 1.067 1099 V CB -0.839 30.999 31.823 0.024 0.000 0.659 1099 V HN 0.893 nan 8.190 nan 0.000 0.451 1100 D N 0.174 120.574 120.400 -0.001 0.000 2.378 1100 D HA -0.052 4.592 4.640 0.007 0.000 0.227 1100 D C 0.972 177.265 176.300 -0.012 0.000 1.012 1100 D CA 1.106 55.104 54.000 -0.003 0.000 0.905 1100 D CB 0.059 40.854 40.800 -0.009 0.000 0.895 1100 D HN 0.589 nan 8.370 nan 0.000 0.532 1101 D N -0.329 120.057 120.400 -0.023 0.000 2.407 1101 D HA 0.054 4.699 4.640 0.007 0.000 0.208 1101 D C 1.731 178.034 176.300 0.004 0.000 1.083 1101 D CA 0.204 54.188 54.000 -0.027 0.000 0.844 1101 D CB 0.569 41.327 40.800 -0.071 0.000 0.967 1101 D HN 0.069 nan 8.370 nan 0.000 0.506 1102 K N -0.076 120.336 120.400 0.021 0.000 2.367 1102 K HA 0.174 4.498 4.320 0.007 0.000 0.198 1102 K C 0.768 177.404 176.600 0.060 0.000 1.132 1102 K CA -0.275 56.033 56.287 0.035 0.000 0.941 1102 K CB 1.323 33.843 32.500 0.034 0.000 1.052 1102 K HN 0.024 nan 8.250 nan 0.000 0.507 1103 I N 3.714 124.319 120.570 0.059 0.000 2.978 1103 I HA -0.190 3.985 4.170 0.007 0.000 0.293 1103 I C -0.162 176.042 176.117 0.145 0.000 1.218 1103 I CA 1.150 62.497 61.300 0.078 0.000 1.393 1103 I CB -0.764 37.268 38.000 0.054 0.000 1.394 1103 I HN 0.189 nan 8.210 nan 0.000 0.541 1104 H N 6.049 125.128 119.070 0.015 0.000 2.667 1104 H HA 0.726 5.286 4.556 0.006 0.000 0.353 1104 H C -1.128 174.210 175.328 0.017 0.000 1.072 1104 H CA -0.731 55.327 56.048 0.017 0.000 1.214 1104 H CB 1.714 31.487 29.762 0.018 0.000 1.600 1104 H HN 0.610 nan 8.280 nan 0.000 0.527 1105 A N 5.029 127.643 122.820 -0.343 0.000 2.374 1105 A HA 0.719 5.043 4.320 0.007 0.000 0.305 1105 A C -0.943 176.393 177.584 -0.414 0.000 1.053 1105 A CA -0.801 51.034 52.037 -0.335 0.000 0.726 1105 A CB 1.170 20.104 19.000 -0.110 0.000 1.229 1105 A HN 0.791 nan 8.150 nan 0.000 0.431 1106 R N 1.310 121.605 120.500 -0.341 0.000 2.651 1106 R HA 0.785 5.129 4.340 0.007 0.000 0.278 1106 R C -1.454 174.786 176.300 -0.099 0.000 1.010 1106 R CA -0.013 55.979 56.100 -0.179 0.000 0.896 1106 R CB 1.996 32.206 30.300 -0.149 0.000 1.211 1106 R HN 1.482 nan 8.270 nan 0.000 0.456 1107 A N 3.749 126.536 122.820 -0.055 0.000 2.429 1107 A HA 0.633 4.958 4.320 0.007 0.000 0.289 1107 A C -0.514 177.054 177.584 -0.026 0.000 1.043 1107 A CA -0.424 51.589 52.037 -0.040 0.000 0.722 1107 A CB 1.145 20.122 19.000 -0.037 0.000 1.243 1107 A HN 1.053 nan 8.150 nan 0.000 0.415 1108 R N 0.479 120.966 120.500 -0.022 0.000 3.773 1108 R HA -0.025 4.319 4.340 0.007 0.000 0.514 1108 R C 1.001 177.298 176.300 -0.006 0.000 0.241 1108 R CA 2.682 58.773 56.100 -0.014 0.000 1.604 1108 R CB -0.810 29.480 30.300 -0.016 0.000 1.012 1108 R HN 2.990 nan 8.270 nan 0.000 0.561 1109 G N -1.356 107.441 108.800 -0.005 0.000 2.659 1109 G HA2 -0.085 3.879 3.960 0.007 0.000 0.214 1109 G HA3 -0.085 3.879 3.960 0.007 0.000 0.214 1109 G C -2.621 172.283 174.900 0.006 0.000 1.191 1109 G CA -0.283 44.818 45.100 0.001 0.000 1.141 1109 G HN 0.728 nan 8.290 nan 0.000 0.581 1110 P HA 0.710 nan 4.420 nan 0.000 0.294 1110 P C -0.605 176.705 177.300 0.017 0.000 1.294 1110 P CA -0.247 62.864 63.100 0.018 0.000 0.827 1110 P CB 1.171 32.886 31.700 0.026 0.000 0.992 1111 M N 0.755 120.360 119.600 0.009 0.000 2.550 1111 M HA 0.336 4.820 4.480 0.007 0.000 0.292 1111 M C 0.248 176.549 176.300 0.001 0.000 1.221 1111 M CA -0.912 54.390 55.300 0.004 0.000 0.873 1111 M CB 2.548 35.142 32.600 -0.010 0.000 1.727 1111 M HN 0.306 nan 8.290 nan 0.000 0.459 1112 Q N 0.272 120.075 119.800 0.006 0.000 2.700 1112 Q HA 0.076 4.420 4.340 0.007 0.000 0.232 1112 Q C 0.949 176.946 176.000 -0.005 0.000 1.110 1112 Q CA 0.047 55.856 55.803 0.009 0.000 1.026 1112 Q CB 0.771 29.521 28.738 0.021 0.000 1.311 1112 Q HN 0.691 nan 8.270 nan 0.000 0.583 1113 V N -1.765 118.153 119.914 0.008 0.000 3.212 1113 V HA -0.023 4.101 4.120 0.007 0.000 0.244 1113 V C 1.616 177.737 176.094 0.044 0.000 1.151 1113 V CA 0.308 62.610 62.300 0.003 0.000 1.119 1113 V CB -0.349 31.482 31.823 0.013 0.000 0.838 1113 V HN 0.581 nan 8.190 nan 0.000 0.470 1114 L N 1.778 123.038 121.223 0.062 0.000 2.141 1114 L HA 0.015 4.359 4.340 0.007 0.000 0.209 1114 L C 2.022 178.999 176.870 0.177 0.000 1.094 1114 L CA 2.712 57.608 54.840 0.093 0.000 0.763 1114 L CB -0.558 41.531 42.059 0.051 0.000 0.908 1114 L HN 0.544 nan 8.230 nan 0.000 0.437 1115 T N -3.538 111.113 114.554 0.163 0.000 2.986 1115 T HA 0.199 4.554 4.350 0.007 0.000 0.264 1115 T C 0.869 175.689 174.700 0.200 0.000 0.964 1115 T CA -0.118 62.113 62.100 0.218 0.000 0.895 1115 T CB 0.412 69.340 68.868 0.099 0.000 1.163 1115 T HN 0.091 nan 8.240 nan 0.000 0.517 1116 R N 1.145 121.633 120.500 -0.021 0.000 3.847 1116 R HA -0.168 4.176 4.340 0.007 0.000 0.304 1116 R C -0.148 176.134 176.300 -0.029 0.000 1.203 1116 R CA 0.608 56.626 56.100 -0.137 0.000 0.835 1116 R CB -1.662 28.389 30.300 -0.414 0.000 1.253 1116 R HN 0.556 nan 8.270 nan 0.000 0.516 1117 Q N -0.012 119.799 119.800 0.018 0.000 2.221 1117 Q HA 0.334 4.678 4.340 0.007 0.000 0.242 1117 Q C -2.310 173.700 176.000 0.017 0.000 0.940 1117 Q CA -2.166 53.652 55.803 0.024 0.000 0.896 1117 Q CB 1.069 29.830 28.738 0.039 0.000 1.226 1117 Q HN -0.112 nan 8.270 nan 0.000 0.463 1118 P HA -0.052 nan 4.420 nan 0.000 0.271 1118 P C -0.651 176.670 177.300 0.035 0.000 1.220 1118 P CA -0.110 63.005 63.100 0.026 0.000 0.768 1118 P CB 0.387 32.105 31.700 0.028 0.000 0.848 1119 V N 0.889 120.823 119.914 0.034 0.000 3.484 1119 V HA 0.088 4.212 4.120 0.007 0.000 0.304 1119 V C 0.526 176.645 176.094 0.040 0.000 1.116 1119 V CA -0.216 62.104 62.300 0.034 0.000 1.187 1119 V CB -0.005 31.836 31.823 0.029 0.000 1.062 1119 V HN 0.507 nan 8.190 nan 0.000 0.489 1120 E N 0.728 120.946 120.200 0.031 0.000 2.266 1120 E HA 0.552 4.906 4.350 0.007 0.000 0.277 1120 E C 0.128 176.734 176.600 0.010 0.000 1.018 1120 E CA 0.259 56.676 56.400 0.028 0.000 0.840 1120 E CB 1.257 30.971 29.700 0.023 0.000 1.082 1120 E HN 1.615 nan 8.360 nan 0.000 0.395 1121 G N 2.809 111.607 108.800 -0.002 0.000 2.712 1121 G HA2 -0.221 3.743 3.960 0.007 0.000 0.686 1121 G HA3 -0.221 3.743 3.960 0.007 0.000 0.686 1121 G C 0.286 175.084 174.900 -0.170 0.000 1.181 1121 G CA -0.044 45.021 45.100 -0.058 0.000 0.762 1121 G HN 0.747 nan 8.290 nan 0.000 0.641 1122 R N 0.119 120.429 120.500 -0.317 0.000 2.235 1122 R HA 0.015 4.359 4.340 0.007 0.000 0.213 1122 R C 2.416 178.544 176.300 -0.288 0.000 1.059 1122 R CA 1.994 57.707 56.100 -0.645 0.000 0.997 1122 R CB -0.349 29.570 30.300 -0.635 0.000 0.884 1122 R HN 0.847 nan 8.270 nan 0.000 0.462 1123 S N 1.618 117.231 115.700 -0.145 0.000 2.370 1123 S HA -0.142 4.333 4.470 0.007 0.000 0.226 1123 S C 1.250 175.828 174.600 -0.037 0.000 1.033 1123 S CA 1.014 59.177 58.200 -0.062 0.000 1.011 1123 S CB -0.181 63.001 63.200 -0.030 0.000 0.852 1123 S HN 0.456 nan 8.310 nan 0.000 0.457 1124 R N 1.310 121.788 120.500 -0.036 0.000 2.694 1124 R HA 0.415 4.759 4.340 0.007 0.000 0.334 1124 R C -0.636 175.674 176.300 0.016 0.000 1.143 1124 R CA 0.150 56.250 56.100 -0.001 0.000 1.073 1124 R CB -0.804 29.504 30.300 0.013 0.000 1.366 1124 R HN 0.238 nan 8.270 nan 0.000 0.577 1125 D N 0.334 120.735 120.400 0.000 0.000 2.735 1125 D HA -0.157 4.487 4.640 0.007 0.000 0.235 1125 D C 0.150 176.562 176.300 0.186 0.000 1.175 1125 D CA 1.292 55.374 54.000 0.136 0.000 0.683 1125 D CB -0.645 40.230 40.800 0.126 0.000 1.008 1125 D HN 0.564 nan 8.370 nan 0.000 0.416 1126 G N -0.673 108.234 108.800 0.178 0.000 2.531 1126 G HA2 0.694 4.658 3.960 0.007 0.000 0.313 1126 G HA3 0.694 4.658 3.960 0.007 0.000 0.313 1126 G C 0.587 175.654 174.900 0.279 0.000 1.238 1126 G CA -0.303 44.901 45.100 0.173 0.000 0.994 1126 G HN 0.389 nan 8.290 nan 0.000 0.493 1127 G N -1.592 107.294 108.800 0.143 0.000 2.502 1127 G HA2 0.516 4.480 3.960 0.007 0.000 0.305 1127 G HA3 0.516 4.480 3.960 0.007 0.000 0.305 1127 G C -0.416 174.554 174.900 0.116 0.000 1.190 1127 G CA -0.754 44.407 45.100 0.102 0.000 0.933 1127 G HN 0.534 nan 8.290 nan 0.000 0.503 1128 L N -0.094 121.186 121.223 0.095 0.000 2.399 1128 L HA 0.437 4.782 4.340 0.007 0.000 0.266 1128 L C 1.040 177.977 176.870 0.113 0.000 1.114 1128 L CA -0.684 54.221 54.840 0.109 0.000 0.804 1128 L CB 1.201 43.327 42.059 0.111 0.000 1.146 1128 L HN 0.400 nan 8.230 nan 0.000 0.451 1129 R N 1.503 122.069 120.500 0.110 0.000 2.254 1129 R HA 0.176 4.521 4.340 0.007 0.000 0.318 1129 R C -0.979 175.423 176.300 0.169 0.000 1.031 1129 R CA -0.493 55.678 56.100 0.118 0.000 0.905 1129 R CB 0.528 30.872 30.300 0.074 0.000 1.050 1129 R HN 0.398 nan 8.270 nan 0.000 0.456 1130 F N 4.764 124.722 119.950 0.013 0.000 2.573 1130 F HA 0.311 4.843 4.527 0.007 0.000 0.349 1130 F C 0.716 176.527 175.800 0.018 0.000 1.213 1130 F CA -0.364 57.647 58.000 0.017 0.000 1.300 1130 F CB 0.153 39.154 39.000 0.003 0.000 1.661 1130 F HN 0.688 nan 8.300 nan 0.000 0.616 1131 G N 2.504 111.260 108.800 -0.074 0.000 2.690 1131 G HA2 -0.076 3.888 3.960 0.007 0.000 0.239 1131 G HA3 -0.076 3.888 3.960 0.007 0.000 0.239 1131 G C 0.947 175.787 174.900 -0.100 0.000 1.233 1131 G CA -0.291 44.773 45.100 -0.061 0.000 0.847 1131 G HN 0.649 nan 8.290 nan 0.000 0.588 1132 E N -0.137 120.036 120.200 -0.045 0.000 2.086 1132 E HA -0.292 4.062 4.350 0.007 0.000 0.205 1132 E C 2.387 178.944 176.600 -0.071 0.000 1.027 1132 E CA 1.753 58.132 56.400 -0.036 0.000 0.830 1132 E CB -0.132 29.557 29.700 -0.018 0.000 0.751 1132 E HN 0.572 nan 8.360 nan 0.000 0.456 1133 M N 0.427 119.977 119.600 -0.083 0.000 2.267 1133 M HA -0.202 4.282 4.480 0.007 0.000 0.263 1133 M C 1.592 177.805 176.300 -0.145 0.000 1.063 1133 M CA 1.295 56.543 55.300 -0.088 0.000 1.090 1133 M CB 0.197 32.754 32.600 -0.072 0.000 1.392 1133 M HN -0.053 nan 8.290 nan 0.000 0.422 1134 E N -0.237 119.799 120.200 -0.274 0.000 2.072 1134 E HA -0.152 4.202 4.350 0.007 0.000 0.190 1134 E C 1.864 178.215 176.600 -0.415 0.000 0.982 1134 E CA 0.960 57.039 56.400 -0.535 0.000 0.803 1134 E CB -0.394 28.626 29.700 -1.133 0.000 0.755 1134 E HN 0.411 nan 8.360 nan 0.000 0.453 1135 R N 0.948 121.312 120.500 -0.227 0.000 2.094 1135 R HA -0.209 4.135 4.340 0.007 0.000 0.239 1135 R C 1.285 177.625 176.300 0.066 0.000 1.137 1135 R CA 2.014 58.149 56.100 0.059 0.000 0.943 1135 R CB -0.334 30.014 30.300 0.080 0.000 0.850 1135 R HN 0.122 nan 8.270 nan 0.000 0.433 1136 D N 0.416 120.820 120.400 0.006 0.000 2.126 1136 D HA -0.210 4.435 4.640 0.007 0.000 0.190 1136 D C 2.029 178.345 176.300 0.026 0.000 1.001 1136 D CA 1.778 55.785 54.000 0.012 0.000 0.841 1136 D CB -0.721 40.070 40.800 -0.015 0.000 0.949 1136 D HN 0.389 nan 8.370 nan 0.000 0.446 1137 C N 0.423 119.737 119.300 0.023 0.000 2.425 1137 C HA -0.100 4.364 4.460 0.007 0.000 0.277 1137 C C 2.669 177.761 174.990 0.169 0.000 1.280 1137 C CA 0.322 59.373 59.018 0.055 0.000 1.744 1137 C CB -0.724 27.059 27.740 0.072 0.000 1.989 1137 C HN 0.324 nan 8.230 nan 0.000 0.491 1138 M N 0.853 120.603 119.600 0.250 0.000 2.175 1138 M HA -0.002 4.482 4.480 0.007 0.000 0.264 1138 M C 1.966 178.423 176.300 0.262 0.000 1.063 1138 M CA 1.366 56.885 55.300 0.365 0.000 1.119 1138 M CB -1.206 31.687 32.600 0.488 0.000 1.377 1138 M HN 0.372 nan 8.290 nan 0.000 0.415 1139 I N -0.125 120.545 120.570 0.166 0.000 2.286 1139 I HA -0.247 3.927 4.170 0.007 0.000 0.248 1139 I C 2.468 178.615 176.117 0.050 0.000 1.115 1139 I CA 1.136 62.499 61.300 0.105 0.000 1.392 1139 I CB -0.790 37.255 38.000 0.074 0.000 1.065 1139 I HN 0.198 nan 8.210 nan 0.000 0.418 1140 A N 0.540 123.352 122.820 -0.014 0.000 1.978 1140 A HA -0.243 4.081 4.320 0.007 0.000 0.220 1140 A C 2.005 179.475 177.584 -0.190 0.000 1.170 1140 A CA 1.888 53.847 52.037 -0.130 0.000 0.636 1140 A CB -1.016 17.850 19.000 -0.222 0.000 0.810 1140 A HN 0.512 nan 8.150 nan 0.000 0.448 1141 H N -1.550 117.530 119.070 0.018 0.000 2.482 1141 H HA 0.340 4.900 4.556 0.007 0.000 0.286 1141 H C 1.525 176.860 175.328 0.012 0.000 1.017 1141 H CA 0.643 56.693 56.048 0.003 0.000 1.322 1141 H CB 0.059 29.809 29.762 -0.021 0.000 1.426 1141 H HN 0.644 nan 8.280 nan 0.000 0.546 1142 G N 0.517 109.403 108.800 0.144 0.000 2.256 1142 G HA2 -0.225 3.739 3.960 0.007 0.000 0.272 1142 G HA3 -0.225 3.739 3.960 0.007 0.000 0.272 1142 G C 0.149 175.120 174.900 0.119 0.000 1.076 1142 G CA 0.086 45.251 45.100 0.109 0.000 0.882 1142 G HN 0.676 nan 8.290 nan 0.000 0.497 1143 A N -0.168 122.744 122.820 0.154 0.000 2.544 1143 A HA 0.796 5.120 4.320 0.007 0.000 0.301 1143 A C 1.551 179.258 177.584 0.205 0.000 1.368 1143 A CA 1.051 53.180 52.037 0.153 0.000 1.045 1143 A CB 0.017 19.090 19.000 0.122 0.000 1.129 1143 A HN 1.880 nan 8.150 nan 0.000 0.540 1144 A N 2.509 125.411 122.820 0.138 0.000 1.819 1144 A HA -0.011 4.313 4.320 0.007 0.000 0.215 1144 A C 2.384 180.036 177.584 0.114 0.000 1.226 1144 A CA 1.865 53.968 52.037 0.110 0.000 0.608 1144 A CB -1.129 17.915 19.000 0.073 0.000 0.877 1144 A HN 0.677 nan 8.150 nan 0.000 0.452 1145 S N -1.014 114.746 115.700 0.099 0.000 2.402 1145 S HA -0.176 4.298 4.470 0.007 0.000 0.233 1145 S C 1.605 176.262 174.600 0.096 0.000 1.030 1145 S CA 1.636 59.883 58.200 0.077 0.000 1.003 1145 S CB -0.582 62.656 63.200 0.064 0.000 0.813 1145 S HN 0.521 nan 8.310 nan 0.000 0.477 1146 F N 2.111 122.056 119.950 -0.008 0.000 2.069 1146 F HA -0.109 4.422 4.527 0.007 0.000 0.298 1146 F C 1.859 177.638 175.800 -0.035 0.000 1.113 1146 F CA 1.354 59.339 58.000 -0.025 0.000 1.214 1146 F CB -0.529 38.463 39.000 -0.013 0.000 0.978 1146 F HN 0.110 nan 8.300 nan 0.000 0.474 1147 L N 0.185 121.399 121.223 -0.015 0.000 2.042 1147 L HA -0.271 4.073 4.340 0.007 0.000 0.210 1147 L C 2.636 179.433 176.870 -0.121 0.000 1.076 1147 L CA 1.798 56.584 54.840 -0.091 0.000 0.749 1147 L CB -0.695 41.407 42.059 0.072 0.000 0.893 1147 L HN 0.162 nan 8.230 nan 0.000 0.432 1148 K N 0.073 120.438 120.400 -0.058 0.000 2.097 1148 K HA -0.250 4.074 4.320 0.007 0.000 0.206 1148 K C 1.999 178.539 176.600 -0.100 0.000 1.049 1148 K CA 1.657 57.915 56.287 -0.050 0.000 0.933 1148 K CB 0.058 32.549 32.500 -0.014 0.000 0.717 1148 K HN 0.283 nan 8.250 nan 0.000 0.442 1149 E N -0.140 119.966 120.200 -0.156 0.000 2.046 1149 E HA -0.091 4.263 4.350 0.007 0.000 0.190 1149 E C 1.635 178.068 176.600 -0.278 0.000 0.982 1149 E CA 0.634 56.923 56.400 -0.185 0.000 0.800 1149 E CB 0.261 29.856 29.700 -0.175 0.000 0.756 1149 E HN 0.062 nan 8.360 nan 0.000 0.449 1150 R N -0.024 120.188 120.500 -0.479 0.000 2.346 1150 R HA 0.012 4.356 4.340 0.007 0.000 0.199 1150 R C 0.533 176.629 176.300 -0.341 0.000 1.015 1150 R CA 0.464 56.219 56.100 -0.575 0.000 1.058 1150 R CB 0.096 29.760 30.300 -1.061 0.000 0.921 1150 R HN 0.188 nan 8.270 nan 0.000 0.475 1151 L N -1.519 119.585 121.223 -0.198 0.000 3.521 1151 L HA 0.217 4.561 4.340 0.007 0.000 0.323 1151 L C 0.970 177.813 176.870 -0.044 0.000 1.268 1151 L CA 0.102 54.887 54.840 -0.090 0.000 1.064 1151 L CB 0.491 42.524 42.059 -0.044 0.000 1.455 1151 L HN -0.086 nan 8.230 nan 0.000 0.622 1152 M N -1.401 118.166 119.600 -0.056 0.000 2.788 1152 M HA 0.231 4.715 4.480 0.007 0.000 0.182 1152 M C 1.004 177.299 176.300 -0.009 0.000 2.041 1152 M CA 0.453 55.751 55.300 -0.004 0.000 1.336 1152 M CB -0.125 32.486 32.600 0.019 0.000 1.280 1152 M HN -0.097 nan 8.290 nan 0.000 0.610 1153 E N 1.292 121.474 120.200 -0.030 0.000 2.515 1153 E HA 0.104 4.458 4.350 0.007 0.000 0.201 1153 E C 0.600 177.172 176.600 -0.046 0.000 1.071 1153 E CA 0.503 56.888 56.400 -0.025 0.000 0.880 1153 E CB -0.067 29.615 29.700 -0.030 0.000 0.828 1153 E HN 0.448 nan 8.360 nan 0.000 0.540 1154 A N -0.769 122.010 122.820 -0.069 0.000 2.594 1154 A HA 0.440 4.764 4.320 0.007 0.000 0.292 1154 A C 0.841 178.390 177.584 -0.059 0.000 1.026 1154 A CA 0.051 52.041 52.037 -0.078 0.000 0.983 1154 A CB 0.556 19.477 19.000 -0.132 0.000 1.233 1154 A HN 0.090 nan 8.150 nan 0.000 0.519 1155 S N -0.563 115.119 115.700 -0.031 0.000 6.155 1155 S HA 0.217 4.691 4.470 0.007 0.000 0.106 1155 S C -1.527 173.084 174.600 0.019 0.000 1.181 1155 S CA 0.223 58.419 58.200 -0.007 0.000 1.352 1155 S CB 0.294 63.488 63.200 -0.009 0.000 2.017 1155 S HN 0.240 nan 8.310 nan 0.000 0.611 1156 D N 1.503 121.929 120.400 0.043 0.000 2.502 1156 D HA 0.710 5.355 4.640 0.007 0.000 0.249 1156 D C -0.814 175.550 176.300 0.106 0.000 1.092 1156 D CA -0.076 53.978 54.000 0.090 0.000 0.839 1156 D CB 1.623 42.507 40.800 0.139 0.000 1.264 1156 D HN 0.484 nan 8.370 nan 0.000 0.511 1157 A N 2.524 125.416 122.820 0.119 0.000 3.297 1157 A HA 0.305 4.630 4.320 0.007 0.000 0.304 1157 A C -0.852 176.785 177.584 0.088 0.000 0.963 1157 A CA -0.655 51.452 52.037 0.116 0.000 0.935 1157 A CB -0.308 18.751 19.000 0.099 0.000 1.093 1157 A HN 0.396 nan 8.150 nan 0.000 0.480 1158 F N 1.013 120.957 119.950 -0.010 0.000 2.389 1158 F HA 0.579 5.110 4.527 0.007 0.000 0.337 1158 F C 0.788 176.503 175.800 -0.143 0.000 1.112 1158 F CA -0.212 57.777 58.000 -0.019 0.000 1.192 1158 F CB 0.794 39.876 39.000 0.136 0.000 1.185 1158 F HN 0.303 nan 8.300 nan 0.000 0.552 1159 R N 5.349 125.446 120.500 -0.671 0.000 2.422 1159 R HA 0.485 4.829 4.340 0.007 0.000 0.307 1159 R C -1.849 174.187 176.300 -0.440 0.000 1.004 1159 R CA -0.371 55.413 56.100 -0.526 0.000 0.882 1159 R CB 0.897 30.870 30.300 -0.546 0.000 1.164 1159 R HN 0.568 nan 8.270 nan 0.000 0.489 1160 V N 2.712 122.528 119.914 -0.163 0.000 3.096 1160 V HA 0.504 4.628 4.120 0.007 0.000 0.319 1160 V C 0.176 176.139 176.094 -0.219 0.000 1.082 1160 V CA -0.895 61.397 62.300 -0.014 0.000 1.022 1160 V CB 1.981 33.928 31.823 0.207 0.000 1.103 1160 V HN 0.619 nan 8.190 nan 0.000 0.455 1161 H N 2.023 121.137 119.070 0.073 0.000 2.587 1161 H HA 0.511 5.071 4.556 0.007 0.000 0.325 1161 H C -1.067 174.280 175.328 0.031 0.000 1.012 1161 H CA -0.484 55.589 56.048 0.043 0.000 1.213 1161 H CB 1.740 31.538 29.762 0.059 0.000 1.431 1161 H HN 0.302 nan 8.280 nan 0.000 0.492 1162 I N 2.090 122.714 120.570 0.090 0.000 2.460 1162 I HA 0.046 4.220 4.170 0.007 0.000 0.298 1162 I C 0.820 176.956 176.117 0.032 0.000 0.989 1162 I CA -0.537 60.783 61.300 0.034 0.000 1.173 1162 I CB 1.816 39.805 38.000 -0.019 0.000 1.338 1162 I HN 0.570 nan 8.210 nan 0.000 0.456 1163 C N 4.635 123.923 119.300 -0.020 0.000 2.593 1163 C HA 0.388 4.852 4.460 0.007 0.000 0.409 1163 C C 1.830 176.792 174.990 -0.046 0.000 1.304 1163 C CA -0.162 58.845 59.018 -0.019 0.000 2.007 1163 C CB 0.168 27.886 27.740 -0.036 0.000 2.614 1163 C HN 1.014 nan 8.230 nan 0.000 0.585 1164 G N 4.366 113.213 108.800 0.079 0.000 2.598 1164 G HA2 0.030 3.994 3.960 0.007 0.000 0.215 1164 G HA3 0.030 3.994 3.960 0.007 0.000 0.215 1164 G C 0.988 175.874 174.900 -0.024 0.000 1.131 1164 G CA 0.754 45.914 45.100 0.100 0.000 0.785 1164 G HN 0.720 nan 8.290 nan 0.000 0.539 1165 I N 0.060 120.611 120.570 -0.031 0.000 3.809 1165 I HA 0.072 4.247 4.170 0.007 0.000 0.245 1165 I C 2.518 178.625 176.117 -0.017 0.000 1.119 1165 I CA 0.526 61.835 61.300 0.015 0.000 1.597 1165 I CB -0.760 37.265 38.000 0.042 0.000 1.605 1165 I HN 0.231 nan 8.210 nan 0.000 0.441 1166 C N 1.863 121.149 119.300 -0.024 0.000 2.613 1166 C HA 0.449 4.913 4.460 0.007 0.000 0.273 1166 C C 1.582 176.525 174.990 -0.078 0.000 1.304 1166 C CA -0.331 58.674 59.018 -0.021 0.000 1.702 1166 C CB -1.615 26.124 27.740 -0.002 0.000 1.792 1166 C HN 0.731 nan 8.230 nan 0.000 0.588 1167 G N 1.504 110.203 108.800 -0.167 0.000 2.332 1167 G HA2 -0.176 3.788 3.960 0.007 0.000 0.277 1167 G HA3 -0.176 3.788 3.960 0.007 0.000 0.277 1167 G C -0.363 174.442 174.900 -0.158 0.000 0.884 1167 G CA 1.179 46.118 45.100 -0.268 0.000 1.251 1167 G HN 0.785 nan 8.290 nan 0.000 0.462 1168 L N -1.271 119.901 121.223 -0.085 0.000 2.503 1168 L HA 0.582 4.926 4.340 0.007 0.000 0.248 1168 L C 0.603 177.473 176.870 -0.001 0.000 1.126 1168 L CA -1.383 53.426 54.840 -0.052 0.000 0.929 1168 L CB 1.347 43.386 42.059 -0.033 0.000 1.544 1168 L HN 0.110 nan 8.230 nan 0.000 0.404 1169 M N 0.769 120.386 119.600 0.028 0.000 3.117 1169 M HA 0.248 4.732 4.480 0.007 0.000 0.292 1169 M C -0.477 175.868 176.300 0.074 0.000 1.357 1169 M CA 0.009 55.353 55.300 0.075 0.000 1.463 1169 M CB -0.005 32.655 32.600 0.100 0.000 1.105 1169 M HN 0.605 nan 8.290 nan 0.000 0.553 1170 T N -2.236 112.359 114.554 0.067 0.000 3.029 1170 T HA 0.127 4.481 4.350 0.007 0.000 0.256 1170 T C 0.581 175.322 174.700 0.068 0.000 0.914 1170 T CA -0.245 61.891 62.100 0.060 0.000 0.880 1170 T CB 0.360 69.252 68.868 0.039 0.000 1.246 1170 T HN 0.297 nan 8.240 nan 0.000 0.523 1171 V N 3.365 123.325 119.914 0.078 0.000 2.681 1171 V HA 0.035 4.159 4.120 0.007 0.000 0.306 1171 V C 0.410 176.560 176.094 0.093 0.000 1.077 1171 V CA 0.104 62.456 62.300 0.086 0.000 1.224 1171 V CB -0.325 31.553 31.823 0.092 0.000 0.879 1171 V HN 0.405 nan 8.190 nan 0.000 0.494 1172 I N 4.108 124.729 120.570 0.086 0.000 2.352 1172 I HA 0.407 4.581 4.170 0.007 0.000 0.290 1172 I C 0.706 176.874 176.117 0.084 0.000 1.036 1172 I CA 0.119 61.455 61.300 0.060 0.000 1.336 1172 I CB 1.022 39.039 38.000 0.030 0.000 1.407 1172 I HN 0.735 nan 8.210 nan 0.000 0.497 1173 A N 7.201 130.012 122.820 -0.015 0.000 2.582 1173 A HA 0.335 4.660 4.320 0.007 0.000 0.336 1173 A C 0.045 177.516 177.584 -0.187 0.000 1.445 1173 A CA -0.665 51.296 52.037 -0.127 0.000 0.997 1173 A CB -0.276 18.439 19.000 -0.475 0.000 1.148 1173 A HN 0.676 nan 8.150 nan 0.000 0.514 1174 K N 2.679 122.917 120.400 -0.270 0.000 2.228 1174 K HA 0.404 4.728 4.320 0.007 0.000 0.284 1174 K C -0.305 176.230 176.600 -0.107 0.000 1.088 1174 K CA 0.346 56.516 56.287 -0.196 0.000 0.941 1174 K CB -0.097 32.243 32.500 -0.267 0.000 1.158 1174 K HN 0.774 nan 8.250 nan 0.000 0.438 1175 L N -0.574 120.688 121.223 0.065 0.000 2.479 1175 L HA 0.612 4.956 4.340 0.007 0.000 0.255 1175 L C -1.170 175.605 176.870 -0.158 0.000 1.026 1175 L CA -1.352 53.546 54.840 0.096 0.000 0.842 1175 L CB 1.826 43.850 42.059 -0.058 0.000 1.444 1175 L HN 0.132 nan 8.230 nan 0.000 0.409 1176 N N 0.421 118.829 118.700 -0.487 0.000 2.472 1176 N HA 0.554 5.298 4.740 0.007 0.000 0.289 1176 N C -0.564 174.368 175.510 -0.963 0.000 1.156 1176 N CA 0.478 53.249 53.050 -0.464 0.000 0.940 1176 N CB 0.433 38.771 38.487 -0.248 0.000 1.200 1176 N HN 1.032 nan 8.380 nan 0.000 0.511 1177 H N -0.700 118.321 119.070 -0.082 0.000 1.452 1177 H HA -0.237 4.324 4.556 0.007 0.000 0.090 1177 H C -1.000 174.185 175.328 -0.238 0.000 1.233 1177 H CA 0.219 56.191 56.048 -0.128 0.000 1.901 1177 H CB -0.862 28.825 29.762 -0.126 0.000 2.257 1177 H HN 0.794 nan 8.280 nan 0.000 0.961 1178 N N 0.029 118.658 118.700 -0.119 0.000 3.794 1178 N HA -0.018 4.726 4.740 0.007 0.000 0.115 1178 N C -1.356 173.963 175.510 -0.318 0.000 0.863 1178 N CA 0.324 53.232 53.050 -0.237 0.000 3.271 1178 N CB 0.096 38.578 38.487 -0.009 0.000 1.197 1178 N HN 0.587 nan 8.380 nan 0.000 0.814 1179 Q N -0.693 118.810 119.800 -0.496 0.000 2.486 1179 Q HA 0.668 5.012 4.340 0.007 0.000 0.274 1179 Q C -0.466 175.112 176.000 -0.703 0.000 1.076 1179 Q CA -0.752 54.800 55.803 -0.419 0.000 0.872 1179 Q CB 1.674 30.254 28.738 -0.263 0.000 1.383 1179 Q HN 0.059 nan 8.270 nan 0.000 0.478 1180 F N -0.741 119.169 119.950 -0.066 0.000 1.892 1180 F HA 0.151 4.682 4.527 0.007 0.000 0.225 1180 F C -0.613 175.157 175.800 -0.050 0.000 1.263 1180 F CA -0.626 57.334 58.000 -0.067 0.000 1.272 1180 F CB 0.675 39.638 39.000 -0.062 0.000 1.967 1180 F HN 0.502 nan 8.300 nan 0.000 0.150 1181 E N 0.985 121.302 120.200 0.194 0.000 2.613 1181 E HA -0.232 4.123 4.350 0.007 0.000 0.161 1181 E C -0.871 175.770 176.600 0.068 0.000 1.664 1181 E CA -0.039 56.414 56.400 0.089 0.000 0.661 1181 E CB -1.248 28.479 29.700 0.045 0.000 1.098 1181 E HN 0.343 nan 8.360 nan 0.000 0.364 1182 C N 3.515 122.851 119.300 0.060 0.000 2.624 1182 C HA 0.203 4.667 4.460 0.007 0.000 0.397 1182 C C 0.651 175.659 174.990 0.031 0.000 1.331 1182 C CA -0.308 58.736 59.018 0.042 0.000 1.716 1182 C CB -0.877 26.882 27.740 0.031 0.000 2.452 1182 C HN 0.388 nan 8.230 nan 0.000 0.586 1183 K N 5.165 125.582 120.400 0.028 0.000 2.185 1183 K HA 0.644 4.968 4.320 0.007 0.000 0.271 1183 K C 1.139 177.750 176.600 0.019 0.000 1.013 1183 K CA 0.184 56.483 56.287 0.021 0.000 0.943 1183 K CB 0.454 32.964 32.500 0.018 0.000 0.998 1183 K HN 1.062 nan 8.250 nan 0.000 0.468 1184 G N 0.429 109.239 108.800 0.016 0.000 2.490 1184 G HA2 -0.348 3.616 3.960 0.007 0.000 0.214 1184 G HA3 -0.348 3.616 3.960 0.007 0.000 0.214 1184 G C 1.013 175.922 174.900 0.015 0.000 1.151 1184 G CA 0.037 45.146 45.100 0.015 0.000 0.684 1184 G HN 0.871 nan 8.290 nan 0.000 0.518 1185 C N 0.024 119.334 119.300 0.016 0.000 2.906 1185 C HA 0.572 5.036 4.460 0.007 0.000 0.274 1185 C C 0.969 175.970 174.990 0.017 0.000 1.257 1185 C CA -0.196 58.833 59.018 0.017 0.000 1.695 1185 C CB -0.261 27.489 27.740 0.017 0.000 1.958 1185 C HN 0.551 nan 8.230 nan 0.000 0.619 1186 D N 2.077 122.488 120.400 0.017 0.000 2.811 1186 D HA -0.163 4.481 4.640 0.007 0.000 0.231 1186 D C -0.153 176.158 176.300 0.019 0.000 1.157 1186 D CA 1.027 55.037 54.000 0.017 0.000 0.716 1186 D CB -1.305 39.504 40.800 0.015 0.000 1.077 1186 D HN 0.702 nan 8.370 nan 0.000 0.428 1187 N N 0.498 119.209 118.700 0.019 0.000 2.513 1187 N HA 0.078 4.822 4.740 0.007 0.000 0.268 1187 N C 1.040 176.563 175.510 0.022 0.000 1.180 1187 N CA 0.525 53.585 53.050 0.016 0.000 0.948 1187 N CB 0.905 39.398 38.487 0.009 0.000 1.083 1187 N HN 0.190 nan 8.380 nan 0.000 0.455 1188 K N 2.398 122.808 120.400 0.016 0.000 2.494 1188 K HA 0.240 4.564 4.320 0.007 0.000 0.201 1188 K C 1.257 177.869 176.600 0.020 0.000 1.338 1188 K CA 0.288 56.597 56.287 0.036 0.000 0.935 1188 K CB 0.282 32.801 32.500 0.032 0.000 1.514 1188 K HN 0.377 nan 8.250 nan 0.000 0.490 1189 I N 0.646 121.205 120.570 -0.018 0.000 3.339 1189 I HA 0.054 4.228 4.170 0.007 0.000 0.285 1189 I C -0.191 175.838 176.117 -0.147 0.000 1.201 1189 I CA 0.325 61.589 61.300 -0.059 0.000 1.434 1189 I CB 0.230 38.210 38.000 -0.034 0.000 1.152 1189 I HN -0.108 nan 8.210 nan 0.000 0.443 1190 D N 2.559 122.894 120.400 -0.109 0.000 2.508 1190 D HA 0.425 5.069 4.640 0.007 0.000 0.224 1190 D C -0.600 175.608 176.300 -0.153 0.000 1.171 1190 D CA 0.422 54.351 54.000 -0.119 0.000 1.006 1190 D CB 0.089 40.906 40.800 0.029 0.000 1.073 1190 D HN 0.075 nan 8.370 nan 0.000 0.513 1191 I N 1.728 122.076 120.570 -0.369 0.000 2.582 1191 I HA 0.340 4.514 4.170 0.007 0.000 0.292 1191 I C -0.650 175.197 176.117 -0.452 0.000 1.066 1191 I CA -0.870 60.242 61.300 -0.313 0.000 1.053 1191 I CB 1.459 39.180 38.000 -0.465 0.000 1.241 1191 I HN 0.021 nan 8.210 nan 0.000 0.421 1192 Y N 2.509 122.735 120.300 -0.122 0.000 2.587 1192 Y HA 0.685 5.239 4.550 0.007 0.000 0.337 1192 Y C -0.162 175.689 175.900 -0.082 0.000 1.065 1192 Y CA -0.765 57.282 58.100 -0.089 0.000 1.126 1192 Y CB 1.698 40.110 38.460 -0.081 0.000 1.279 1192 Y HN 0.470 nan 8.280 nan 0.000 0.489 1193 Q N 3.277 123.124 119.800 0.077 0.000 2.292 1193 Q HA 0.590 4.935 4.340 0.007 0.000 0.270 1193 Q C -1.667 174.338 176.000 0.008 0.000 1.024 1193 Q CA -0.842 54.931 55.803 -0.050 0.000 0.768 1193 Q CB 1.510 30.200 28.738 -0.080 0.000 1.250 1193 Q HN 0.681 nan 8.270 nan 0.000 0.447 1194 I N 0.321 120.874 120.570 -0.029 0.000 2.846 1194 I HA 0.536 4.710 4.170 0.007 0.000 0.307 1194 I C -1.400 174.729 176.117 0.018 0.000 1.053 1194 I CA -0.632 60.693 61.300 0.042 0.000 1.050 1194 I CB 2.135 40.167 38.000 0.053 0.000 1.239 1194 I HN 0.803 nan 8.210 nan 0.000 0.439 1195 H N 6.040 125.127 119.070 0.028 0.000 2.786 1195 H HA 0.560 5.120 4.556 0.007 0.000 0.284 1195 H C -0.706 174.661 175.328 0.064 0.000 1.104 1195 H CA -0.312 55.759 56.048 0.037 0.000 1.339 1195 H CB 1.688 31.461 29.762 0.019 0.000 1.427 1195 H HN 0.671 nan 8.280 nan 0.000 0.497 1196 I N 1.318 121.970 120.570 0.136 0.000 3.095 1196 I HA 0.578 4.752 4.170 0.007 0.000 0.310 1196 I C -3.187 173.008 176.117 0.129 0.000 1.196 1196 I CA -2.750 58.630 61.300 0.133 0.000 0.985 1196 I CB 2.449 40.532 38.000 0.139 0.000 1.250 1196 I HN 0.132 nan 8.210 nan 0.000 0.446 1197 P HA 0.119 nan 4.420 nan 0.000 0.269 1197 P C -0.149 177.199 177.300 0.079 0.000 1.215 1197 P CA 0.256 63.408 63.100 0.087 0.000 0.780 1197 P CB 0.289 32.007 31.700 0.031 0.000 0.898 1198 Y N 2.611 122.895 120.300 -0.026 0.000 2.439 1198 Y HA -0.038 4.517 4.550 0.008 0.000 0.292 1198 Y C 2.063 177.862 175.900 -0.168 0.000 1.130 1198 Y CA 1.448 59.467 58.100 -0.135 0.000 1.254 1198 Y CB -0.457 37.916 38.460 -0.146 0.000 1.000 1198 Y HN 0.397 nan 8.280 nan 0.000 0.554 1199 A N 0.029 122.798 122.820 -0.084 0.000 2.067 1199 A HA 0.028 4.352 4.320 0.007 0.000 0.219 1199 A C 2.282 179.688 177.584 -0.298 0.000 1.158 1199 A CA 1.331 53.264 52.037 -0.172 0.000 0.661 1199 A CB -1.024 17.934 19.000 -0.070 0.000 0.801 1199 A HN 0.548 nan 8.150 nan 0.000 0.452 1200 A N 0.018 122.641 122.820 -0.328 0.000 1.878 1200 A HA -0.013 4.311 4.320 0.007 0.000 0.213 1200 A C 2.123 179.260 177.584 -0.745 0.000 1.192 1200 A CA 1.515 53.206 52.037 -0.576 0.000 0.619 1200 A CB -0.425 18.307 19.000 -0.447 0.000 0.837 1200 A HN 0.355 nan 8.150 nan 0.000 0.446 1201 K N 0.131 120.278 120.400 -0.422 0.000 2.052 1201 K HA -0.201 4.123 4.320 0.007 0.000 0.215 1201 K C 1.895 178.283 176.600 -0.353 0.000 1.053 1201 K CA 1.824 57.940 56.287 -0.286 0.000 0.934 1201 K CB -0.615 31.659 32.500 -0.378 0.000 0.717 1201 K HN 0.382 nan 8.250 nan 0.000 0.450 1202 L N 1.351 122.255 121.223 -0.532 0.000 1.970 1202 L HA -0.222 4.122 4.340 0.007 0.000 0.212 1202 L C 2.729 179.441 176.870 -0.263 0.000 1.071 1202 L CA 1.632 56.221 54.840 -0.419 0.000 0.751 1202 L CB -1.019 40.765 42.059 -0.458 0.000 0.889 1202 L HN 0.327 nan 8.230 nan 0.000 0.432 1203 L N -0.170 120.858 121.223 -0.325 0.000 1.997 1203 L HA -0.311 4.033 4.340 0.007 0.000 0.216 1203 L C 2.406 179.221 176.870 -0.091 0.000 1.074 1203 L CA 2.182 56.868 54.840 -0.256 0.000 0.763 1203 L CB -0.755 41.059 42.059 -0.410 0.000 0.890 1203 L HN 0.163 nan 8.230 nan 0.000 0.434 1204 F N -0.826 119.078 119.950 -0.077 0.000 2.026 1204 F HA -0.297 4.234 4.527 0.007 0.000 0.296 1204 F C 2.695 178.460 175.800 -0.058 0.000 1.133 1204 F CA 1.312 59.279 58.000 -0.055 0.000 1.188 1204 F CB -0.708 38.263 39.000 -0.048 0.000 0.968 1204 F HN 0.133 nan 8.300 nan 0.000 0.476 1205 Q N 0.368 120.235 119.800 0.110 0.000 2.156 1205 Q HA -0.279 4.065 4.340 0.007 0.000 0.211 1205 Q C 2.052 178.060 176.000 0.013 0.000 0.995 1205 Q CA 2.035 57.855 55.803 0.028 0.000 0.877 1205 Q CB -0.373 28.339 28.738 -0.044 0.000 0.920 1205 Q HN 0.563 nan 8.270 nan 0.000 0.416 1206 E N 0.286 120.481 120.200 -0.009 0.000 2.031 1206 E HA -0.175 4.179 4.350 0.007 0.000 0.193 1206 E C 2.172 178.783 176.600 0.018 0.000 0.994 1206 E CA 0.922 57.316 56.400 -0.010 0.000 0.800 1206 E CB -0.155 29.524 29.700 -0.034 0.000 0.752 1206 E HN 0.347 nan 8.360 nan 0.000 0.447 1207 L N 0.346 121.596 121.223 0.046 0.000 2.042 1207 L HA -0.236 4.108 4.340 0.007 0.000 0.210 1207 L C 2.659 179.555 176.870 0.044 0.000 1.076 1207 L CA 1.145 56.019 54.840 0.056 0.000 0.749 1207 L CB -0.407 41.712 42.059 0.101 0.000 0.893 1207 L HN 0.221 nan 8.230 nan 0.000 0.432 1208 M N -0.670 118.960 119.600 0.050 0.000 2.149 1208 M HA -0.197 4.287 4.480 0.007 0.000 0.261 1208 M C 2.473 178.786 176.300 0.022 0.000 1.064 1208 M CA 1.913 57.232 55.300 0.033 0.000 1.102 1208 M CB -0.509 32.112 32.600 0.036 0.000 1.369 1208 M HN 0.322 nan 8.290 nan 0.000 0.408 1209 A N -0.358 122.473 122.820 0.018 0.000 1.969 1209 A HA -0.104 4.220 4.320 0.007 0.000 0.218 1209 A C 2.062 179.653 177.584 0.012 0.000 1.169 1209 A CA 1.229 53.273 52.037 0.012 0.000 0.635 1209 A CB -0.560 18.444 19.000 0.007 0.000 0.810 1209 A HN 0.501 nan 8.150 nan 0.000 0.445 1210 M N -0.589 119.019 119.600 0.014 0.000 2.659 1210 M HA 0.061 4.545 4.480 0.007 0.000 0.243 1210 M C 0.513 176.821 176.300 0.014 0.000 1.111 1210 M CA 0.503 55.811 55.300 0.013 0.000 1.070 1210 M CB -0.216 32.392 32.600 0.015 0.000 1.525 1210 M HN 0.600 nan 8.290 nan 0.000 0.517 1211 N N 0.858 119.567 118.700 0.014 0.000 2.920 1211 N HA -0.149 4.595 4.740 0.007 0.000 0.247 1211 N C -1.375 174.142 175.510 0.012 0.000 1.123 1211 N CA 0.248 53.305 53.050 0.012 0.000 0.711 1211 N CB -0.968 37.524 38.487 0.010 0.000 1.065 1211 N HN 0.358 nan 8.380 nan 0.000 0.554 1212 I N 1.689 122.269 120.570 0.016 0.000 2.468 1212 I HA 0.131 4.305 4.170 0.007 0.000 0.284 1212 I C 0.421 176.543 176.117 0.008 0.000 1.038 1212 I CA -0.541 60.768 61.300 0.014 0.000 1.083 1212 I CB 1.700 39.714 38.000 0.023 0.000 1.223 1212 I HN 0.095 nan 8.210 nan 0.000 0.443 1213 T N 3.472 118.025 114.554 -0.001 0.000 2.743 1213 T HA 0.360 4.714 4.350 0.007 0.000 0.290 1213 T C -2.261 172.415 174.700 -0.040 0.000 0.908 1213 T CA -1.340 60.751 62.100 -0.016 0.000 1.092 1213 T CB 0.014 68.877 68.868 -0.008 0.000 0.882 1213 T HN 0.272 nan 8.240 nan 0.000 0.531 1214 P HA 0.350 nan 4.420 nan 0.000 0.238 1214 P C 0.023 177.181 177.300 -0.236 0.000 1.758 1214 P CA -0.764 62.229 63.100 -0.177 0.000 1.142 1214 P CB 0.432 31.959 31.700 -0.288 0.000 1.722 1215 R N 2.213 122.653 120.500 -0.100 0.000 2.734 1215 R HA 0.352 4.696 4.340 0.007 0.000 0.266 1215 R C 0.148 176.406 176.300 -0.070 0.000 1.044 1215 R CA -0.141 55.938 56.100 -0.035 0.000 1.128 1215 R CB 0.181 30.599 30.300 0.197 0.000 1.010 1215 R HN 0.482 nan 8.270 nan 0.000 0.461 1216 L N 2.828 123.970 121.223 -0.136 0.000 2.409 1216 L HA 0.428 4.772 4.340 0.007 0.000 0.272 1216 L C -1.081 175.655 176.870 -0.224 0.000 0.980 1216 L CA -0.675 54.090 54.840 -0.124 0.000 0.826 1216 L CB 1.419 43.369 42.059 -0.181 0.000 1.268 1216 L HN 0.430 nan 8.230 nan 0.000 0.407 1217 Y N 0.560 120.791 120.300 -0.115 0.000 2.499 1217 Y HA 0.376 4.930 4.550 0.007 0.000 0.347 1217 Y C 1.042 176.848 175.900 -0.156 0.000 0.987 1217 Y CA -0.499 57.515 58.100 -0.143 0.000 1.044 1217 Y CB 2.536 40.926 38.460 -0.118 0.000 1.245 1217 Y HN 0.517 nan 8.280 nan 0.000 0.461 1218 T N -0.301 114.185 114.554 -0.114 0.000 2.866 1218 T HA -0.035 4.319 4.350 0.007 0.000 0.250 1218 T C -0.306 174.352 174.700 -0.070 0.000 1.033 1218 T CA 0.717 62.714 62.100 -0.171 0.000 1.145 1218 T CB -0.328 68.263 68.868 -0.460 0.000 0.866 1218 T HN 0.760 nan 8.240 nan 0.000 0.434 1219 D N 1.412 121.783 120.400 -0.048 0.000 2.449 1219 D HA 0.044 4.688 4.640 0.007 0.000 0.236 1219 D C 1.165 177.460 176.300 -0.008 0.000 1.149 1219 D CA -0.239 53.750 54.000 -0.018 0.000 0.878 1219 D CB 0.821 41.618 40.800 -0.006 0.000 1.198 1219 D HN -0.152 nan 8.370 nan 0.000 0.446 1220 R N 1.442 121.937 120.500 -0.008 0.000 2.064 1220 R HA -0.044 4.300 4.340 0.007 0.000 0.228 1220 R C 0.873 177.163 176.300 -0.017 0.000 1.144 1220 R CA 0.845 56.941 56.100 -0.007 0.000 0.932 1220 R CB -0.372 29.927 30.300 -0.002 0.000 0.833 1220 R HN 0.586 nan 8.270 nan 0.000 0.429 1221 S N 0.097 115.784 115.700 -0.021 0.000 2.393 1221 S HA 0.258 4.732 4.470 0.007 0.000 0.255 1221 S C 0.639 175.207 174.600 -0.054 0.000 1.210 1221 S CA -0.456 57.725 58.200 -0.031 0.000 1.013 1221 S CB 0.467 63.652 63.200 -0.025 0.000 1.055 1221 S HN 0.203 nan 8.310 nan 0.000 0.483 1222 R N 0.727 121.190 120.500 -0.061 0.000 2.705 1222 R HA 0.415 4.759 4.340 0.007 0.000 0.246 1222 R C -0.659 175.591 176.300 -0.084 0.000 1.142 1222 R CA -0.808 55.237 56.100 -0.091 0.000 1.114 1222 R CB 0.131 30.380 30.300 -0.084 0.000 1.256 1222 R HN 0.528 nan 8.270 nan 0.000 0.536 1223 D N 0.000 120.335 120.400 -0.109 0.000 6.856 1223 D HA 0.000 4.644 4.640 0.007 0.000 0.175 1223 D CA 0.000 53.951 54.000 -0.082 0.000 0.868 1223 D CB 0.000 40.740 40.800 -0.100 0.000 0.688 1223 D HN 0.000 nan 8.370 nan 0.000 0.683