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 2bte_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEKYNPHAIE AKWQRFWEEK GFMKAKDLPG GRGKQYVLVM FPYPSGDLHM DATA SEQUENCE GHLKNYTMGD VLARFRRMQG YEVLHPMGWD AFGLPAENAA LKFGVHPKDW DATA SEQUENCE TYANIRQAKE SLRLMGILYD WDREVTTCEP EYYRWNQWIF LKMWEKGLAY DATA SEQUENCE RAKGLVNWCP KCQTVLANEQ VVEGRCWRHE DTPVEKRELE QWYLRITAYA DATA SEQUENCE ERLLKDLEGL NWPEKVKAMQ RAWIGRSEGA EILFPVEGKE VRIPVFTTRP DATA SEQUENCE DTLFGATFLV LAPEHPLTLE LAAPEKREEV LAYVEAAKRK TEIERQAEGR DATA SEQUENCE EKTGVFLGAY ALNPATGERI PIWTADYVLF GYGTGAIMAV PAHDQRDYEF DATA SEQUENCE ARKFGLPIKK VIERPGEPLP EPLERAYEEP GIMVNSGPFD GTESEEGKRK DATA SEQUENCE VIAWLEEKGL GKGRVTYRLR DWLISRQRYW GTPIPMVHCE ACGVVPVPEE DATA SEQUENCE ELPVLLPDLK DVEDIRPKGK SPLEAHPEFY ETTCPKCGGP AKRDTDTMDT DATA SEQUENCE FFDSSWYYLR YTDPHNDRLP FDPEKANAWM PVDQYIGGVE HAVLHLLYSR DATA SEQUENCE FFTKFLHDLG MVKVEEPFQG LFTQGMVLAW TDFGPVEVEG SVVRLPEPTR DATA SEQUENCE IRLEIPESAL SLEDVRKMGA ELRPHEDGTL HLWKPAVMSK SKGNGVMVGP DATA SEQUENCE FVKEQGADIA RITILFAAPP ENEMVWTEEG VQGAWRFLNR IYRRVAEDRE DATA SEQUENCE ALLETSGVFQ AEALEGKDRE LYGKLHETLK KVTEDLEALR FNTAIAALME DATA SEQUENCE FLNALYEYRK DRPVTPVYRT AIRYYLQMLF PFAPHLAEEL WHWFWPDSLF DATA SEQUENCE EAGWPELDEK ALEKDVVEVA VQVNGRVRGT IHIPKDAPLE VARAEALKVR DATA SEQUENCE NVRAHLEGKE VVKEIYVPGK ILNLVV 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.372 176.300 0.120 0.000 1.140 1 M CA 0.000 55.346 55.300 0.076 0.000 0.988 1 M CB 0.000 32.656 32.600 0.093 0.000 1.302 2 E N 4.224 124.514 120.200 0.151 0.000 2.416 2 E HA 0.369 4.718 4.350 -0.001 0.000 0.254 2 E C -1.089 175.730 176.600 0.365 0.000 1.241 2 E CA -0.489 56.045 56.400 0.222 0.000 0.969 2 E CB 1.056 30.899 29.700 0.239 0.000 0.999 2 E HN 0.610 nan 8.360 nan 0.000 0.481 3 K N -0.464 120.130 120.400 0.324 0.000 2.346 3 K HA 0.227 4.546 4.320 -0.001 0.000 0.238 3 K C -1.223 175.377 176.600 -0.000 0.000 1.039 3 K CA -1.046 55.417 56.287 0.293 0.000 0.861 3 K CB 1.046 33.644 32.500 0.165 0.000 1.278 3 K HN 0.428 nan 8.250 nan 0.000 0.460 4 Y N 1.944 122.073 120.300 -0.285 0.000 2.402 4 Y HA 0.116 4.665 4.550 -0.001 0.000 0.333 4 Y C -0.523 175.311 175.900 -0.110 0.000 1.076 4 Y CA -0.118 57.621 58.100 -0.601 0.000 1.299 4 Y CB 0.412 38.715 38.460 -0.262 0.000 1.197 4 Y HN 0.476 nan 8.280 nan 0.000 0.517 5 N N 8.218 126.511 118.700 -0.678 0.000 2.558 5 N HA 0.239 4.979 4.740 -0.001 0.000 0.285 5 N C -2.595 172.609 175.510 -0.510 0.000 1.112 5 N CA -1.665 51.138 53.050 -0.412 0.000 0.857 5 N CB 2.137 40.564 38.487 -0.100 0.000 1.376 5 N HN 0.357 nan 8.380 nan 0.000 0.526 6 P HA -0.140 nan 4.420 nan 0.000 0.210 6 P C 0.661 177.790 177.300 -0.284 0.000 1.185 6 P CA 1.665 64.466 63.100 -0.497 0.000 0.924 6 P CB 0.111 31.457 31.700 -0.590 0.000 0.786 7 H N -0.138 118.870 119.070 -0.104 0.000 2.362 7 H HA -0.172 4.383 4.556 -0.002 0.000 0.294 7 H C 1.905 177.193 175.328 -0.068 0.000 1.113 7 H CA 1.774 57.781 56.048 -0.069 0.000 1.253 7 H CB -1.483 28.250 29.762 -0.049 0.000 1.363 7 H HN 0.115 nan 8.280 nan 0.000 0.494 8 A N 0.691 123.558 122.820 0.077 0.000 2.019 8 A HA -0.080 4.240 4.320 -0.001 0.000 0.219 8 A C 2.224 179.811 177.584 0.005 0.000 1.164 8 A CA 1.822 53.875 52.037 0.026 0.000 0.644 8 A CB -0.628 18.388 19.000 0.027 0.000 0.805 8 A HN 0.657 nan 8.150 nan 0.000 0.449 9 I N -5.198 115.386 120.570 0.024 0.000 4.244 9 I HA 0.263 4.432 4.170 -0.001 0.000 0.318 9 I C 1.791 177.981 176.117 0.120 0.000 1.282 9 I CA 0.354 61.718 61.300 0.106 0.000 1.276 9 I CB -0.163 38.043 38.000 0.343 0.000 1.183 9 I HN 0.082 nan 8.210 nan 0.000 0.431 10 E N 2.427 122.611 120.200 -0.027 0.000 1.997 10 E HA -0.199 4.151 4.350 -0.001 0.000 0.201 10 E C 2.386 178.884 176.600 -0.171 0.000 1.011 10 E CA 2.225 58.469 56.400 -0.259 0.000 0.847 10 E CB -0.236 29.255 29.700 -0.348 0.000 0.787 10 E HN 0.522 nan 8.360 nan 0.000 0.472 11 A N 1.307 124.063 122.820 -0.107 0.000 1.958 11 A HA -0.337 3.982 4.320 -0.001 0.000 0.221 11 A C 2.012 179.549 177.584 -0.079 0.000 1.178 11 A CA 2.196 54.200 52.037 -0.055 0.000 0.642 11 A CB -0.724 18.255 19.000 -0.035 0.000 0.816 11 A HN 0.257 nan 8.150 nan 0.000 0.453 12 K N -1.178 119.139 120.400 -0.138 0.000 1.988 12 K HA -0.256 4.063 4.320 -0.001 0.000 0.221 12 K C 1.878 178.298 176.600 -0.300 0.000 1.053 12 K CA 2.156 58.282 56.287 -0.268 0.000 0.959 12 K CB -0.485 31.762 32.500 -0.421 0.000 0.728 12 K HN 0.629 nan 8.250 nan 0.000 0.447 13 W N 1.386 122.555 121.300 -0.219 0.000 2.338 13 W HA -0.162 4.497 4.660 -0.002 0.000 0.304 13 W C 2.625 178.672 176.519 -0.786 0.000 1.212 13 W CA 1.099 58.166 57.345 -0.464 0.000 1.264 13 W CB -0.148 29.062 29.460 -0.416 0.000 1.142 13 W HN 0.375 nan 8.180 nan 0.000 0.512 14 Q N 0.249 119.957 119.800 -0.153 0.000 2.029 14 Q HA -0.272 4.068 4.340 -0.001 0.000 0.209 14 Q C 2.127 178.184 176.000 0.095 0.000 0.999 14 Q CA 2.195 58.063 55.803 0.109 0.000 0.857 14 Q CB -0.506 28.361 28.738 0.215 0.000 0.926 14 Q HN 0.325 nan 8.270 nan 0.000 0.415 15 R N -0.146 120.375 120.500 0.035 0.000 2.094 15 R HA -0.203 4.136 4.340 -0.001 0.000 0.239 15 R C 2.172 178.509 176.300 0.062 0.000 1.137 15 R CA 1.733 57.857 56.100 0.040 0.000 0.943 15 R CB -0.717 29.580 30.300 -0.004 0.000 0.850 15 R HN 0.221 nan 8.270 nan 0.000 0.433 16 F N 0.857 120.719 119.950 -0.147 0.000 2.085 16 F HA -0.303 4.223 4.527 -0.001 0.000 0.299 16 F C 1.737 177.544 175.800 0.010 0.000 1.096 16 F CA 1.398 59.335 58.000 -0.105 0.000 1.227 16 F CB -0.376 38.559 39.000 -0.109 0.000 0.983 16 F HN 0.095 nan 8.300 nan 0.000 0.482 17 W N 0.554 121.866 121.300 0.020 0.000 2.378 17 W HA -0.133 4.526 4.660 -0.002 0.000 0.313 17 W C 2.593 178.967 176.519 -0.241 0.000 1.197 17 W CA 1.345 58.585 57.345 -0.175 0.000 1.304 17 W CB -1.590 27.972 29.460 0.169 0.000 1.148 17 W HN 0.141 nan 8.180 nan 0.000 0.494 18 E N 0.992 121.297 120.200 0.176 0.000 2.065 18 E HA -0.264 4.085 4.350 -0.001 0.000 0.201 18 E C 1.801 178.388 176.600 -0.022 0.000 1.016 18 E CA 2.404 58.865 56.400 0.101 0.000 0.818 18 E CB -0.381 29.395 29.700 0.126 0.000 0.749 18 E HN 0.280 nan 8.360 nan 0.000 0.453 19 E N -0.384 119.785 120.200 -0.053 0.000 2.072 19 E HA -0.106 4.243 4.350 -0.001 0.000 0.191 19 E C 2.011 178.498 176.600 -0.188 0.000 0.985 19 E CA 0.984 57.337 56.400 -0.078 0.000 0.801 19 E CB -0.009 29.677 29.700 -0.023 0.000 0.750 19 E HN 0.022 nan 8.360 nan 0.000 0.452 20 K N -0.153 120.011 120.400 -0.393 0.000 2.283 20 K HA -0.041 4.278 4.320 -0.001 0.000 0.202 20 K C 0.762 176.955 176.600 -0.677 0.000 1.048 20 K CA 0.885 56.768 56.287 -0.672 0.000 0.948 20 K CB -0.230 31.440 32.500 -1.384 0.000 0.742 20 K HN 0.307 nan 8.250 nan 0.000 0.458 21 G N 1.665 110.169 108.800 -0.494 0.000 2.351 21 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.297 21 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.297 21 G C 0.381 175.093 174.900 -0.314 0.000 1.054 21 G CA 0.105 45.028 45.100 -0.296 0.000 1.123 21 G HN 0.140 nan 8.290 nan 0.000 0.512 22 F N -0.173 119.611 119.950 -0.277 0.000 2.147 22 F HA 0.271 4.797 4.527 -0.001 0.000 0.291 22 F C 2.385 178.005 175.800 -0.300 0.000 1.093 22 F CA 0.787 58.523 58.000 -0.439 0.000 1.263 22 F CB -0.160 38.126 39.000 -1.189 0.000 1.036 22 F HN 0.269 nan 8.300 nan 0.000 0.481 23 M N 1.596 121.150 119.600 -0.076 0.000 3.435 23 M HA 0.062 4.542 4.480 -0.001 0.000 0.205 23 M C 0.002 176.278 176.300 -0.040 0.000 1.324 23 M CA 0.239 55.520 55.300 -0.032 0.000 1.455 23 M CB -1.388 31.192 32.600 -0.034 0.000 1.240 23 M HN -0.038 nan 8.290 nan 0.000 0.477 24 K N 1.104 121.492 120.400 -0.021 0.000 2.281 24 K HA 0.545 4.864 4.320 -0.001 0.000 0.272 24 K C -0.509 176.079 176.600 -0.021 0.000 1.048 24 K CA -0.206 56.064 56.287 -0.027 0.000 0.898 24 K CB 1.128 33.623 32.500 -0.008 0.000 1.128 24 K HN 0.329 nan 8.250 nan 0.000 0.460 25 A N 4.672 127.433 122.820 -0.098 0.000 2.488 25 A HA 0.091 4.411 4.320 -0.001 0.000 0.249 25 A C 0.245 177.836 177.584 0.011 0.000 1.083 25 A CA -0.128 51.834 52.037 -0.124 0.000 0.768 25 A CB 0.253 18.965 19.000 -0.480 0.000 1.017 25 A HN 0.906 nan 8.150 nan 0.000 0.496 26 K N 0.689 121.214 120.400 0.208 0.000 2.143 26 K HA 0.035 4.354 4.320 -0.001 0.000 0.239 26 K C -0.051 176.739 176.600 0.317 0.000 1.048 26 K CA -0.027 56.408 56.287 0.247 0.000 0.867 26 K CB 0.235 32.898 32.500 0.271 0.000 1.088 26 K HN 0.756 nan 8.250 nan 0.000 0.510 27 D N -0.034 120.524 120.400 0.264 0.000 2.269 27 D HA 0.069 4.709 4.640 -0.001 0.000 0.220 27 D C -0.058 176.468 176.300 0.376 0.000 0.962 27 D CA 0.946 55.117 54.000 0.284 0.000 0.884 27 D CB 0.323 41.225 40.800 0.170 0.000 1.023 27 D HN 0.274 nan 8.370 nan 0.000 0.484 28 L N 2.150 123.500 121.223 0.213 0.000 2.442 28 L HA 0.338 4.677 4.340 -0.001 0.000 0.261 28 L C -2.564 174.279 176.870 -0.046 0.000 1.000 28 L CA -1.701 53.178 54.840 0.065 0.000 0.882 28 L CB 2.177 44.265 42.059 0.048 0.000 1.207 28 L HN -0.329 nan 8.230 nan 0.000 0.443 29 P HA -0.043 nan 4.420 nan 0.000 0.260 29 P C 0.550 177.757 177.300 -0.155 0.000 1.172 29 P CA 0.381 63.320 63.100 -0.268 0.000 0.760 29 P CB 0.781 32.094 31.700 -0.646 0.000 0.773 30 G N 2.478 111.234 108.800 -0.074 0.000 2.481 30 G HA2 0.269 4.228 3.960 -0.001 0.000 0.251 30 G HA3 0.269 4.228 3.960 -0.001 0.000 0.251 30 G C 1.173 176.041 174.900 -0.053 0.000 1.492 30 G CA -0.030 45.043 45.100 -0.046 0.000 1.060 30 G HN 0.546 nan 8.290 nan 0.000 0.553 31 G N -1.089 107.692 108.800 -0.032 0.000 3.061 31 G HA2 0.072 4.032 3.960 -0.001 0.000 0.208 31 G HA3 0.072 4.032 3.960 -0.001 0.000 0.208 31 G C 1.451 176.337 174.900 -0.023 0.000 1.175 31 G CA -0.040 45.043 45.100 -0.028 0.000 0.812 31 G HN 0.388 nan 8.290 nan 0.000 0.523 32 R N 0.911 121.397 120.500 -0.023 0.000 2.313 32 R HA 0.266 4.606 4.340 -0.001 0.000 0.199 32 R C 1.207 177.522 176.300 0.026 0.000 0.958 32 R CA 0.263 56.352 56.100 -0.018 0.000 1.047 32 R CB -0.702 29.589 30.300 -0.016 0.000 0.955 32 R HN 0.378 nan 8.270 nan 0.000 0.481 33 G N 1.548 110.363 108.800 0.024 0.000 2.892 33 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.686 33 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.686 33 G C -1.054 173.901 174.900 0.092 0.000 1.244 33 G CA -0.033 45.115 45.100 0.081 0.000 0.947 33 G HN 0.474 nan 8.290 nan 0.000 0.584 34 K N 0.872 121.228 120.400 -0.073 0.000 2.258 34 K HA 0.930 5.250 4.320 -0.001 0.000 0.236 34 K C -0.252 176.276 176.600 -0.120 0.000 1.008 34 K CA -0.904 55.303 56.287 -0.134 0.000 0.869 34 K CB 1.590 33.800 32.500 -0.483 0.000 1.171 34 K HN 0.494 nan 8.250 nan 0.000 0.447 35 Q N 0.802 120.624 119.800 0.037 0.000 2.268 35 Q HA 0.229 4.568 4.340 -0.001 0.000 0.266 35 Q C -1.879 174.290 176.000 0.281 0.000 1.006 35 Q CA -0.526 55.286 55.803 0.016 0.000 0.824 35 Q CB 1.727 30.381 28.738 -0.141 0.000 1.306 35 Q HN 0.759 nan 8.270 nan 0.000 0.424 36 Y N 3.016 123.389 120.300 0.123 0.000 2.575 36 Y HA 0.445 4.994 4.550 -0.001 0.000 0.326 36 Y C -1.137 174.790 175.900 0.046 0.000 0.979 36 Y CA -0.986 57.208 58.100 0.156 0.000 1.286 36 Y CB 0.747 39.349 38.460 0.236 0.000 1.093 36 Y HN 0.288 nan 8.280 nan 0.000 0.501 37 V N 7.614 127.709 119.914 0.302 0.000 2.439 37 V HA 0.530 4.649 4.120 -0.001 0.000 0.282 37 V C -0.746 175.512 176.094 0.274 0.000 1.039 37 V CA -0.695 61.693 62.300 0.148 0.000 0.913 37 V CB 1.372 33.138 31.823 -0.095 0.000 0.983 37 V HN 0.588 nan 8.190 nan 0.000 0.460 38 L N 6.630 127.989 121.223 0.227 0.000 2.526 38 L HA 0.810 5.150 4.340 -0.001 0.000 0.263 38 L C -0.776 176.112 176.870 0.030 0.000 0.943 38 L CA -0.430 54.560 54.840 0.249 0.000 0.859 38 L CB 2.100 44.426 42.059 0.445 0.000 1.313 38 L HN 0.560 nan 8.230 nan 0.000 0.406 39 V N 3.086 122.983 119.914 -0.029 0.000 2.630 39 V HA 0.595 4.715 4.120 -0.001 0.000 0.305 39 V C 0.454 176.396 176.094 -0.254 0.000 1.046 39 V CA -0.837 61.303 62.300 -0.267 0.000 0.934 39 V CB 1.775 33.430 31.823 -0.280 0.000 1.003 39 V HN 0.953 nan 8.190 nan 0.000 0.451 40 M N 5.985 125.321 119.600 -0.440 0.000 2.286 40 M HA 0.164 4.644 4.480 -0.001 0.000 0.365 40 M C -0.125 176.125 176.300 -0.083 0.000 1.443 40 M CA 0.333 55.487 55.300 -0.244 0.000 0.951 40 M CB -0.239 32.201 32.600 -0.266 0.000 1.961 40 M HN 0.818 nan 8.290 nan 0.000 0.468 41 F N 4.611 124.412 119.950 -0.248 0.000 2.471 41 F HA 0.590 5.116 4.527 -0.001 0.000 0.353 41 F C -2.402 173.174 175.800 -0.372 0.000 1.113 41 F CA -3.498 54.263 58.000 -0.399 0.000 1.262 41 F CB -1.275 37.334 39.000 -0.652 0.000 1.146 41 F HN 0.338 nan 8.300 nan 0.000 0.578 42 P HA 0.140 nan 4.420 nan 0.000 0.276 42 P C -1.572 175.617 177.300 -0.186 0.000 1.261 42 P CA -0.134 62.901 63.100 -0.109 0.000 0.800 42 P CB 0.585 32.306 31.700 0.034 0.000 1.066 43 Y N 1.019 121.311 120.300 -0.012 0.000 2.404 43 Y HA 0.229 4.777 4.550 -0.002 0.000 0.344 43 Y C -1.422 174.480 175.900 0.004 0.000 0.970 43 Y CA -2.861 55.228 58.100 -0.020 0.000 1.180 43 Y CB 0.209 38.674 38.460 0.009 0.000 1.138 43 Y HN 0.221 nan 8.280 nan 0.000 0.510 44 P HA 0.016 nan 4.420 nan 0.000 0.262 44 P C -0.764 176.637 177.300 0.168 0.000 1.455 44 P CA 0.369 63.514 63.100 0.074 0.000 1.217 44 P CB 0.003 31.690 31.700 -0.022 0.000 1.625 45 S N 1.777 117.564 115.700 0.146 0.000 2.461 45 S HA 0.617 5.086 4.470 -0.001 0.000 0.245 45 S C -0.244 174.430 174.600 0.123 0.000 1.039 45 S CA -0.100 58.280 58.200 0.300 0.000 1.077 45 S CB 0.646 63.984 63.200 0.229 0.000 1.171 45 S HN 0.734 nan 8.310 nan 0.000 0.433 46 G N 1.933 110.764 108.800 0.052 0.000 2.555 46 G HA2 0.177 4.137 3.960 -0.001 0.000 0.686 46 G HA3 0.177 4.137 3.960 -0.001 0.000 0.686 46 G C -1.626 173.200 174.900 -0.124 0.000 1.275 46 G CA -0.791 44.288 45.100 -0.035 0.000 0.871 46 G HN 0.746 nan 8.290 nan 0.000 0.603 47 D N -0.342 120.000 120.400 -0.096 0.000 2.225 47 D HA 0.539 5.178 4.640 -0.001 0.000 0.249 47 D C 0.729 177.001 176.300 -0.048 0.000 1.052 47 D CA -0.303 53.642 54.000 -0.092 0.000 0.909 47 D CB 1.371 42.129 40.800 -0.070 0.000 1.186 47 D HN 0.418 nan 8.370 nan 0.000 0.431 48 L N 3.783 124.995 121.223 -0.018 0.000 2.313 48 L HA 0.139 4.478 4.340 -0.001 0.000 0.282 48 L C 0.379 177.277 176.870 0.046 0.000 1.092 48 L CA -0.353 54.539 54.840 0.087 0.000 0.831 48 L CB 0.180 42.269 42.059 0.051 0.000 1.159 48 L HN 0.478 nan 8.230 nan 0.000 0.442 49 H N 1.675 120.767 119.070 0.036 0.000 3.065 49 H HA 0.436 4.988 4.556 -0.007 0.000 0.279 49 H C 0.623 175.810 175.328 -0.235 0.000 1.594 49 H CA -1.059 54.886 56.048 -0.171 0.000 1.547 49 H CB 0.382 29.989 29.762 -0.257 0.000 1.771 49 H HN 0.281 nan 8.280 nan 0.000 0.871 50 M N 0.092 119.585 119.600 -0.179 0.000 2.086 50 M HA -0.003 4.476 4.480 -0.001 0.000 0.261 50 M C 2.352 178.580 176.300 -0.120 0.000 1.067 50 M CA 1.800 56.890 55.300 -0.351 0.000 1.116 50 M CB -1.680 30.308 32.600 -1.020 0.000 1.348 50 M HN 0.935 nan 8.290 nan 0.000 0.407 51 G N -0.596 108.071 108.800 -0.222 0.000 2.503 51 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.221 51 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.221 51 G C 1.308 176.302 174.900 0.157 0.000 1.131 51 G CA 1.410 46.457 45.100 -0.089 0.000 0.756 51 G HN 0.613 nan 8.290 nan 0.000 0.572 52 H N -0.793 118.495 119.070 0.363 0.000 2.462 52 H HA 0.178 4.733 4.556 -0.002 0.000 0.292 52 H C 2.361 177.893 175.328 0.339 0.000 1.049 52 H CA 0.032 56.245 56.048 0.274 0.000 1.334 52 H CB 0.152 30.008 29.762 0.157 0.000 1.404 52 H HN 0.143 nan 8.280 nan 0.000 0.544 53 L N 1.134 122.569 121.223 0.354 0.000 2.291 53 L HA -0.112 4.228 4.340 -0.001 0.000 0.214 53 L C 2.291 179.317 176.870 0.261 0.000 1.120 53 L CA 1.141 56.190 54.840 0.349 0.000 0.799 53 L CB -0.595 41.575 42.059 0.184 0.000 0.925 53 L HN 0.295 nan 8.230 nan 0.000 0.446 54 K N 0.610 121.114 120.400 0.172 0.000 2.089 54 K HA -0.232 4.088 4.320 -0.001 0.000 0.210 54 K C 1.711 178.317 176.600 0.011 0.000 1.048 54 K CA 1.959 58.304 56.287 0.096 0.000 0.926 54 K CB 0.033 32.588 32.500 0.091 0.000 0.714 54 K HN 0.472 nan 8.250 nan 0.000 0.448 55 N N -1.035 117.630 118.700 -0.057 0.000 2.171 55 N HA -0.138 4.602 4.740 -0.001 0.000 0.184 55 N C 1.661 177.014 175.510 -0.262 0.000 1.021 55 N CA 1.226 54.133 53.050 -0.237 0.000 0.854 55 N CB -0.104 38.129 38.487 -0.423 0.000 0.994 55 N HN 0.251 nan 8.380 nan 0.000 0.426 56 Y N 1.394 121.710 120.300 0.026 0.000 2.314 56 Y HA -0.041 4.507 4.550 -0.002 0.000 0.293 56 Y C 2.733 178.622 175.900 -0.019 0.000 1.129 56 Y CA 0.751 58.882 58.100 0.051 0.000 1.201 56 Y CB -0.817 37.711 38.460 0.113 0.000 0.999 56 Y HN 0.007 nan 8.280 nan 0.000 0.541 57 T N 0.714 115.322 114.554 0.090 0.000 2.622 57 T HA -0.241 4.109 4.350 -0.001 0.000 0.266 57 T C 1.972 176.546 174.700 -0.209 0.000 1.047 57 T CA 1.886 63.955 62.100 -0.053 0.000 1.159 57 T CB -0.433 68.408 68.868 -0.046 0.000 0.863 57 T HN 0.268 nan 8.240 nan 0.000 0.422 58 M N 1.156 120.621 119.600 -0.225 0.000 2.089 58 M HA -0.096 4.384 4.480 -0.001 0.000 0.257 58 M C 2.822 178.975 176.300 -0.246 0.000 1.071 58 M CA 2.058 57.173 55.300 -0.308 0.000 1.096 58 M CB -1.482 31.047 32.600 -0.119 0.000 1.330 58 M HN 0.444 nan 8.290 nan 0.000 0.403 59 G N 0.096 108.798 108.800 -0.164 0.000 2.422 59 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.218 59 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.218 59 G C 1.107 175.756 174.900 -0.418 0.000 1.146 59 G CA 1.515 46.498 45.100 -0.195 0.000 0.769 59 G HN 0.493 nan 8.290 nan 0.000 0.547 60 D N -0.044 120.201 120.400 -0.258 0.000 2.097 60 D HA -0.097 4.542 4.640 -0.001 0.000 0.197 60 D C 2.659 178.685 176.300 -0.456 0.000 0.984 60 D CA 0.985 54.797 54.000 -0.313 0.000 0.826 60 D CB -0.174 40.485 40.800 -0.236 0.000 0.973 60 D HN 0.127 nan 8.370 nan 0.000 0.460 61 V N 0.606 120.211 119.914 -0.515 0.000 2.252 61 V HA -0.249 3.871 4.120 -0.001 0.000 0.249 61 V C 2.720 178.533 176.094 -0.468 0.000 1.056 61 V CA 1.623 63.526 62.300 -0.661 0.000 1.022 61 V CB -0.660 30.582 31.823 -0.969 0.000 0.641 61 V HN 0.294 nan 8.190 nan 0.000 0.445 62 L N -0.288 120.739 121.223 -0.326 0.000 1.994 62 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 62 L C 2.632 179.375 176.870 -0.213 0.000 1.071 62 L CA 1.929 56.683 54.840 -0.143 0.000 0.745 62 L CB -0.616 41.387 42.059 -0.093 0.000 0.892 62 L HN 0.334 nan 8.230 nan 0.000 0.431 63 A N -0.330 122.262 122.820 -0.381 0.000 1.883 63 A HA -0.278 4.042 4.320 -0.001 0.000 0.217 63 A C 2.298 179.718 177.584 -0.273 0.000 1.186 63 A CA 2.020 53.831 52.037 -0.376 0.000 0.624 63 A CB -0.620 17.994 19.000 -0.644 0.000 0.822 63 A HN 0.391 nan 8.150 nan 0.000 0.444 64 R N -1.883 118.406 120.500 -0.351 0.000 2.083 64 R HA -0.154 4.186 4.340 -0.001 0.000 0.237 64 R C 2.019 178.114 176.300 -0.341 0.000 1.137 64 R CA 1.748 57.587 56.100 -0.434 0.000 0.951 64 R CB -0.604 29.243 30.300 -0.756 0.000 0.851 64 R HN 0.597 nan 8.270 nan 0.000 0.434 65 F N 1.880 121.553 119.950 -0.461 0.000 2.043 65 F HA -0.246 4.281 4.527 -0.001 0.000 0.297 65 F C 2.154 177.737 175.800 -0.362 0.000 1.121 65 F CA 1.616 59.334 58.000 -0.469 0.000 1.199 65 F CB -0.253 38.426 39.000 -0.534 0.000 0.968 65 F HN -0.170 nan 8.300 nan 0.000 0.478 66 R N 0.410 120.546 120.500 -0.607 0.000 2.117 66 R HA -0.196 4.143 4.340 -0.001 0.000 0.243 66 R C 2.324 178.468 176.300 -0.260 0.000 1.143 66 R CA 1.571 57.378 56.100 -0.488 0.000 0.968 66 R CB -1.002 29.165 30.300 -0.221 0.000 0.863 66 R HN 0.298 nan 8.270 nan 0.000 0.444 67 R N 0.748 121.132 120.500 -0.194 0.000 2.073 67 R HA 0.003 4.342 4.340 -0.001 0.000 0.234 67 R C 2.337 178.569 176.300 -0.114 0.000 1.134 67 R CA 1.592 57.651 56.100 -0.069 0.000 0.952 67 R CB -0.388 29.938 30.300 0.043 0.000 0.850 67 R HN 0.146 nan 8.270 nan 0.000 0.433 68 M N 0.102 119.589 119.600 -0.188 0.000 2.108 68 M HA -0.219 4.260 4.480 -0.001 0.000 0.261 68 M C 2.161 178.374 176.300 -0.145 0.000 1.066 68 M CA 1.814 57.036 55.300 -0.130 0.000 1.107 68 M CB -0.299 32.305 32.600 0.006 0.000 1.356 68 M HN 0.237 nan 8.290 nan 0.000 0.406 69 Q N -0.370 119.242 119.800 -0.313 0.000 2.439 69 Q HA -0.067 4.272 4.340 -0.001 0.000 0.211 69 Q C 1.473 177.247 176.000 -0.377 0.000 0.978 69 Q CA 0.933 56.510 55.803 -0.376 0.000 0.897 69 Q CB -0.007 28.344 28.738 -0.645 0.000 0.956 69 Q HN 0.819 nan 8.270 nan 0.000 0.483 70 G N -0.847 107.794 108.800 -0.265 0.000 2.238 70 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.217 70 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.217 70 G C -0.242 174.556 174.900 -0.170 0.000 0.996 70 G CA -0.323 44.651 45.100 -0.211 0.000 0.632 70 G HN 0.232 nan 8.290 nan 0.000 0.503 71 Y N 1.389 121.617 120.300 -0.120 0.000 2.683 71 Y HA 0.422 4.971 4.550 -0.001 0.000 0.340 71 Y C 1.024 176.906 175.900 -0.030 0.000 1.245 71 Y CA 0.210 58.255 58.100 -0.093 0.000 1.485 71 Y CB 0.434 38.816 38.460 -0.130 0.000 1.328 71 Y HN 0.202 nan 8.280 nan 0.000 0.603 72 E N 1.805 122.118 120.200 0.189 0.000 2.070 72 E HA 0.309 4.659 4.350 -0.001 0.000 0.282 72 E C -1.192 175.596 176.600 0.314 0.000 1.104 72 E CA -0.114 56.406 56.400 0.200 0.000 0.876 72 E CB 0.188 29.961 29.700 0.122 0.000 1.055 72 E HN 0.361 nan 8.360 nan 0.000 0.401 73 V N 4.781 124.848 119.914 0.255 0.000 2.644 73 V HA 0.365 4.484 4.120 -0.001 0.000 0.295 73 V C -0.443 175.709 176.094 0.096 0.000 1.053 73 V CA -0.909 61.508 62.300 0.195 0.000 0.987 73 V CB 1.373 33.234 31.823 0.064 0.000 1.006 73 V HN 0.522 nan 8.190 nan 0.000 0.472 74 L N 3.651 124.827 121.223 -0.078 0.000 2.415 74 L HA 0.490 4.830 4.340 -0.001 0.000 0.268 74 L C -0.590 176.082 176.870 -0.331 0.000 0.984 74 L CA 0.049 54.565 54.840 -0.539 0.000 0.853 74 L CB 1.057 42.306 42.059 -1.350 0.000 1.215 74 L HN 0.804 nan 8.230 nan 0.000 0.419 75 H N 6.254 125.105 119.070 -0.364 0.000 2.336 75 H HA 0.426 4.982 4.556 -0.001 0.000 0.230 75 H C -2.665 172.493 175.328 -0.283 0.000 1.426 75 H CA -2.131 53.773 56.048 -0.240 0.000 1.359 75 H CB 1.070 30.739 29.762 -0.155 0.000 1.555 75 H HN 0.543 nan 8.280 nan 0.000 0.512 76 P HA 0.090 nan 4.420 nan 0.000 0.273 76 P C -0.391 176.200 177.300 -1.182 0.000 1.250 76 P CA -0.426 62.078 63.100 -0.992 0.000 0.793 76 P CB 1.659 32.473 31.700 -1.476 0.000 1.011 77 M N 0.192 118.950 119.600 -1.403 0.000 2.490 77 M HA 0.660 5.139 4.480 -0.001 0.000 0.286 77 M C -1.214 174.526 176.300 -0.933 0.000 1.185 77 M CA -0.025 54.437 55.300 -1.396 0.000 0.912 77 M CB 1.567 32.676 32.600 -2.484 0.000 1.744 77 M HN 0.674 nan 8.290 nan 0.000 0.494 78 G N 1.373 109.680 108.800 -0.822 0.000 2.650 78 G HA2 0.701 4.661 3.960 -0.001 0.000 0.310 78 G HA3 0.701 4.661 3.960 -0.001 0.000 0.310 78 G C -2.568 171.364 174.900 -1.613 0.000 1.270 78 G CA -0.633 43.929 45.100 -0.897 0.000 0.810 78 G HN 0.736 nan 8.290 nan 0.000 0.493 79 W N -0.230 120.792 121.300 -0.463 0.000 2.839 79 W HA 0.555 5.213 4.660 -0.002 0.000 0.334 79 W C -1.145 174.703 176.519 -1.119 0.000 1.064 79 W CA -0.725 56.205 57.345 -0.692 0.000 1.236 79 W CB 2.027 31.246 29.460 -0.402 0.000 1.405 79 W HN 0.396 nan 8.180 nan 0.000 0.478 80 D N 1.965 121.661 120.400 -1.173 0.000 2.741 80 D HA 0.353 4.993 4.640 -0.001 0.000 0.233 80 D C 1.169 177.376 176.300 -0.155 0.000 1.160 80 D CA 0.165 53.622 54.000 -0.905 0.000 1.003 80 D CB 0.495 40.850 40.800 -0.742 0.000 1.064 80 D HN 0.431 nan 8.370 nan 0.000 0.503 81 A N 2.669 125.404 122.820 -0.141 0.000 1.968 81 A HA -0.002 4.317 4.320 -0.001 0.000 0.217 81 A C 0.925 178.621 177.584 0.187 0.000 1.169 81 A CA 0.450 52.496 52.037 0.014 0.000 0.638 81 A CB -0.212 18.718 19.000 -0.116 0.000 0.812 81 A HN 0.368 nan 8.150 nan 0.000 0.446 82 F N -0.579 119.351 119.950 -0.034 0.000 2.375 82 F HA 0.495 5.020 4.527 -0.002 0.000 0.313 82 F C 1.208 176.974 175.800 -0.056 0.000 1.176 82 F CA 0.003 57.894 58.000 -0.182 0.000 1.142 82 F CB 0.423 39.258 39.000 -0.274 0.000 1.275 82 F HN 0.603 nan 8.300 nan 0.000 0.544 83 G N 1.508 110.404 108.800 0.161 0.000 2.610 83 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.304 83 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.304 83 G C 0.296 175.255 174.900 0.100 0.000 1.309 83 G CA -0.362 44.769 45.100 0.052 0.000 0.906 83 G HN 0.673 nan 8.290 nan 0.000 0.521 84 L N 1.011 122.258 121.223 0.040 0.000 2.017 84 L HA 0.006 4.345 4.340 -0.001 0.000 0.208 84 L C 0.266 177.060 176.870 -0.126 0.000 1.073 84 L CA 2.263 57.109 54.840 0.009 0.000 0.745 84 L CB -1.134 40.976 42.059 0.085 0.000 0.894 84 L HN 0.472 nan 8.230 nan 0.000 0.432 85 P HA -0.267 nan 4.420 nan 0.000 0.214 85 P C 1.403 178.550 177.300 -0.255 0.000 1.169 85 P CA 2.172 64.985 63.100 -0.477 0.000 0.908 85 P CB -0.042 30.983 31.700 -1.124 0.000 0.791 86 A N -0.293 122.454 122.820 -0.123 0.000 1.828 86 A HA -0.259 4.060 4.320 -0.001 0.000 0.215 86 A C 2.359 179.851 177.584 -0.153 0.000 1.203 86 A CA 1.995 54.029 52.037 -0.006 0.000 0.614 86 A CB -1.634 17.478 19.000 0.187 0.000 0.844 86 A HN 0.211 nan 8.150 nan 0.000 0.445 87 E N -0.226 119.955 120.200 -0.032 0.000 2.169 87 E HA -0.306 4.044 4.350 -0.001 0.000 0.202 87 E C 1.726 178.202 176.600 -0.207 0.000 1.016 87 E CA 1.819 58.139 56.400 -0.133 0.000 0.817 87 E CB -0.230 29.531 29.700 0.102 0.000 0.736 87 E HN 0.648 nan 8.360 nan 0.000 0.462 88 N N -0.363 118.235 118.700 -0.171 0.000 2.270 88 N HA -0.071 4.669 4.740 -0.001 0.000 0.181 88 N C 1.411 176.752 175.510 -0.281 0.000 1.016 88 N CA 1.120 54.070 53.050 -0.167 0.000 0.870 88 N CB -0.119 38.302 38.487 -0.109 0.000 0.979 88 N HN 0.277 nan 8.380 nan 0.000 0.431 89 A N 0.763 123.332 122.820 -0.420 0.000 1.841 89 A HA 0.069 4.388 4.320 -0.001 0.000 0.214 89 A C 2.282 179.189 177.584 -1.128 0.000 1.195 89 A CA 1.694 53.337 52.037 -0.658 0.000 0.611 89 A CB -1.210 17.449 19.000 -0.568 0.000 0.835 89 A HN 0.286 nan 8.150 nan 0.000 0.443 90 A N -0.465 121.517 122.820 -1.397 0.000 1.859 90 A HA -0.134 4.185 4.320 -0.001 0.000 0.217 90 A C 1.998 179.279 177.584 -0.505 0.000 1.198 90 A CA 1.965 53.313 52.037 -1.149 0.000 0.629 90 A CB -0.842 17.708 19.000 -0.750 0.000 0.830 90 A HN 0.427 nan 8.150 nan 0.000 0.446 91 L N -0.028 120.987 121.223 -0.347 0.000 2.129 91 L HA -0.193 4.147 4.340 -0.001 0.000 0.212 91 L C 2.378 179.175 176.870 -0.122 0.000 1.087 91 L CA 2.353 57.090 54.840 -0.172 0.000 0.757 91 L CB -0.796 41.193 42.059 -0.118 0.000 0.896 91 L HN 0.595 nan 8.230 nan 0.000 0.434 92 K N -1.372 118.938 120.400 -0.150 0.000 2.057 92 K HA -0.164 4.156 4.320 -0.001 0.000 0.206 92 K C 1.250 177.913 176.600 0.106 0.000 1.050 92 K CA 1.223 57.498 56.287 -0.019 0.000 0.935 92 K CB -0.092 32.406 32.500 -0.004 0.000 0.715 92 K HN 0.136 nan 8.250 nan 0.000 0.439 93 F N 1.036 120.853 119.950 -0.221 0.000 2.713 93 F HA 0.286 4.801 4.527 -0.020 0.000 0.294 93 F C 1.028 176.795 175.800 -0.054 0.000 1.152 93 F CA -0.051 57.895 58.000 -0.091 0.000 1.385 93 F CB 0.273 39.277 39.000 0.006 0.000 0.981 93 F HN 0.291 nan 8.300 nan 0.000 0.514 94 G N 1.005 109.812 108.800 0.012 0.000 2.337 94 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.290 94 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.290 94 G C 0.227 175.149 174.900 0.038 0.000 1.003 94 G CA 0.569 45.668 45.100 -0.002 0.000 0.825 94 G HN 0.225 nan 8.290 nan 0.000 0.509 95 V N -0.698 119.252 119.914 0.061 0.000 2.837 95 V HA 0.524 4.643 4.120 -0.001 0.000 0.310 95 V C 0.660 176.789 176.094 0.057 0.000 1.059 95 V CA -1.078 61.291 62.300 0.115 0.000 1.004 95 V CB 1.739 33.724 31.823 0.271 0.000 1.045 95 V HN 0.477 nan 8.190 nan 0.000 0.465 96 H N 5.869 124.931 119.070 -0.014 0.000 2.722 96 H HA 0.241 4.796 4.556 -0.001 0.000 0.328 96 H C -1.563 173.668 175.328 -0.161 0.000 1.067 96 H CA -1.478 54.522 56.048 -0.080 0.000 1.447 96 H CB 1.368 31.099 29.762 -0.052 0.000 1.469 96 H HN 0.322 nan 8.280 nan 0.000 0.544 97 P HA -0.310 nan 4.420 nan 0.000 0.217 97 P C 1.206 177.928 177.300 -0.963 0.000 1.162 97 P CA 1.923 64.379 63.100 -1.073 0.000 0.901 97 P CB 0.295 30.925 31.700 -1.782 0.000 0.793 98 K N -0.383 119.348 120.400 -1.115 0.000 2.152 98 K HA -0.173 4.147 4.320 -0.001 0.000 0.206 98 K C 1.781 178.414 176.600 0.055 0.000 1.048 98 K CA 1.796 57.897 56.287 -0.310 0.000 0.933 98 K CB -0.343 32.213 32.500 0.094 0.000 0.721 98 K HN 0.027 nan 8.250 nan 0.000 0.447 99 D N -0.050 120.394 120.400 0.074 0.000 2.120 99 D HA -0.189 4.450 4.640 -0.001 0.000 0.202 99 D C 1.632 177.975 176.300 0.072 0.000 0.972 99 D CA 0.756 54.829 54.000 0.122 0.000 0.837 99 D CB -0.473 40.413 40.800 0.142 0.000 0.989 99 D HN 0.427 nan 8.370 nan 0.000 0.469 100 W N 2.429 123.646 121.300 -0.139 0.000 2.342 100 W HA -0.200 4.454 4.660 -0.010 0.000 0.297 100 W C 1.651 178.049 176.519 -0.201 0.000 1.213 100 W CA 1.558 58.805 57.345 -0.164 0.000 1.251 100 W CB -0.476 28.865 29.460 -0.198 0.000 1.136 100 W HN -0.076 nan 8.180 nan 0.000 0.526 101 T N 0.731 115.266 114.554 -0.032 0.000 2.614 101 T HA -0.268 4.081 4.350 -0.001 0.000 0.263 101 T C 1.480 175.953 174.700 -0.379 0.000 1.055 101 T CA 2.263 64.239 62.100 -0.205 0.000 1.162 101 T CB -1.027 67.689 68.868 -0.254 0.000 0.863 101 T HN 0.086 nan 8.240 nan 0.000 0.414 102 Y N 1.395 121.568 120.300 -0.211 0.000 2.465 102 Y HA 0.043 4.593 4.550 -0.001 0.000 0.289 102 Y C 2.394 178.101 175.900 -0.321 0.000 1.150 102 Y CA 0.315 58.255 58.100 -0.267 0.000 1.293 102 Y CB -0.708 37.642 38.460 -0.182 0.000 0.977 102 Y HN 0.229 nan 8.280 nan 0.000 0.556 103 A N 0.386 123.075 122.820 -0.219 0.000 1.832 103 A HA -0.178 4.142 4.320 -0.001 0.000 0.214 103 A C 2.065 179.398 177.584 -0.419 0.000 1.204 103 A CA 1.765 53.619 52.037 -0.304 0.000 0.606 103 A CB -0.850 17.930 19.000 -0.366 0.000 0.849 103 A HN 0.395 nan 8.150 nan 0.000 0.445 104 N N 0.372 118.730 118.700 -0.570 0.000 2.018 104 N HA -0.166 4.574 4.740 -0.001 0.000 0.196 104 N C 1.539 176.733 175.510 -0.527 0.000 1.043 104 N CA 1.991 54.720 53.050 -0.535 0.000 0.856 104 N CB -0.576 37.592 38.487 -0.533 0.000 1.042 104 N HN 0.522 nan 8.380 nan 0.000 0.423 105 I N 0.430 120.594 120.570 -0.677 0.000 2.229 105 I HA -0.362 3.807 4.170 -0.001 0.000 0.250 105 I C 2.543 178.177 176.117 -0.805 0.000 1.096 105 I CA 1.213 61.840 61.300 -1.123 0.000 1.358 105 I CB -0.324 36.931 38.000 -1.242 0.000 1.047 105 I HN 0.225 nan 8.210 nan 0.000 0.422 106 R N 0.878 121.082 120.500 -0.494 0.000 2.062 106 R HA -0.174 4.166 4.340 -0.001 0.000 0.231 106 R C 2.367 178.496 176.300 -0.284 0.000 1.136 106 R CA 1.665 57.559 56.100 -0.343 0.000 0.948 106 R CB -0.145 30.007 30.300 -0.247 0.000 0.845 106 R HN 0.449 nan 8.270 nan 0.000 0.430 107 Q N 0.083 119.721 119.800 -0.271 0.000 1.948 107 Q HA -0.157 4.183 4.340 -0.001 0.000 0.205 107 Q C 2.238 178.144 176.000 -0.157 0.000 0.992 107 Q CA 1.858 57.543 55.803 -0.198 0.000 0.849 107 Q CB -0.415 28.195 28.738 -0.213 0.000 0.918 107 Q HN 0.405 nan 8.270 nan 0.000 0.421 108 A N 1.664 124.376 122.820 -0.180 0.000 1.909 108 A HA -0.352 3.968 4.320 -0.001 0.000 0.221 108 A C 2.065 179.670 177.584 0.035 0.000 1.223 108 A CA 2.299 54.295 52.037 -0.068 0.000 0.658 108 A CB -0.769 18.215 19.000 -0.026 0.000 0.831 108 A HN 0.327 nan 8.150 nan 0.000 0.462 109 K N -0.529 119.857 120.400 -0.023 0.000 2.281 109 K HA -0.190 4.130 4.320 -0.001 0.000 0.203 109 K C 2.043 178.663 176.600 0.033 0.000 1.046 109 K CA 1.620 57.961 56.287 0.088 0.000 0.938 109 K CB -0.098 32.297 32.500 -0.175 0.000 0.737 109 K HN 0.727 nan 8.250 nan 0.000 0.458 110 E N -0.430 119.753 120.200 -0.029 0.000 2.051 110 E HA -0.110 4.240 4.350 -0.001 0.000 0.189 110 E C 1.677 178.304 176.600 0.045 0.000 0.979 110 E CA 1.016 57.410 56.400 -0.010 0.000 0.803 110 E CB 0.102 29.776 29.700 -0.043 0.000 0.761 110 E HN 0.221 nan 8.360 nan 0.000 0.451 111 S N 1.469 117.191 115.700 0.038 0.000 2.359 111 S HA -0.208 4.262 4.470 -0.001 0.000 0.222 111 S C 2.051 176.708 174.600 0.094 0.000 1.038 111 S CA 1.455 59.689 58.200 0.058 0.000 1.051 111 S CB -0.502 62.718 63.200 0.032 0.000 0.944 111 S HN 0.284 nan 8.310 nan 0.000 0.433 112 L N 1.013 122.302 121.223 0.109 0.000 2.043 112 L HA -0.197 4.142 4.340 -0.001 0.000 0.212 112 L C 2.802 179.791 176.870 0.199 0.000 1.075 112 L CA 1.574 56.507 54.840 0.154 0.000 0.752 112 L CB -0.594 41.629 42.059 0.274 0.000 0.891 112 L HN 0.279 nan 8.230 nan 0.000 0.432 113 R N 0.736 121.364 120.500 0.213 0.000 2.081 113 R HA -0.135 4.204 4.340 -0.001 0.000 0.235 113 R C 2.228 178.647 176.300 0.199 0.000 1.131 113 R CA 1.225 57.456 56.100 0.217 0.000 0.960 113 R CB -0.197 30.197 30.300 0.157 0.000 0.856 113 R HN 0.365 nan 8.270 nan 0.000 0.436 114 L N 0.383 121.699 121.223 0.154 0.000 2.549 114 L HA -0.087 4.252 4.340 -0.001 0.000 0.229 114 L C 1.779 178.765 176.870 0.193 0.000 1.158 114 L CA 0.396 55.324 54.840 0.147 0.000 0.842 114 L CB -0.036 42.091 42.059 0.112 0.000 0.952 114 L HN 0.264 nan 8.230 nan 0.000 0.452 115 M N -1.332 118.394 119.600 0.210 0.000 2.371 115 M HA 0.209 4.688 4.480 -0.001 0.000 0.246 115 M C 1.496 177.960 176.300 0.273 0.000 1.103 115 M CA 0.683 56.118 55.300 0.224 0.000 1.010 115 M CB 0.221 32.916 32.600 0.158 0.000 1.457 115 M HN 0.319 nan 8.290 nan 0.000 0.486 116 G N 1.510 110.523 108.800 0.354 0.000 2.175 116 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.244 116 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.244 116 G C 0.238 175.221 174.900 0.138 0.000 0.982 116 G CA -0.258 45.083 45.100 0.403 0.000 0.641 116 G HN 0.448 nan 8.290 nan 0.000 0.527 117 I N 1.542 122.156 120.570 0.073 0.000 2.556 117 I HA 0.367 4.537 4.170 -0.001 0.000 0.284 117 I C 0.711 176.731 176.117 -0.161 0.000 1.114 117 I CA -0.042 61.186 61.300 -0.121 0.000 1.418 117 I CB 0.768 38.675 38.000 -0.155 0.000 1.394 117 I HN -0.008 nan 8.210 nan 0.000 0.552 118 L N 7.326 128.364 121.223 -0.308 0.000 2.325 118 L HA 0.488 4.827 4.340 -0.001 0.000 0.281 118 L C -0.851 175.722 176.870 -0.495 0.000 1.004 118 L CA -0.691 54.020 54.840 -0.215 0.000 0.823 118 L CB 0.955 42.981 42.059 -0.054 0.000 1.236 118 L HN 0.455 nan 8.230 nan 0.000 0.415 119 Y N 0.385 120.476 120.300 -0.348 0.000 2.772 119 Y HA 0.348 4.897 4.550 -0.002 0.000 0.324 119 Y C 0.240 175.831 175.900 -0.515 0.000 1.169 119 Y CA -0.897 56.763 58.100 -0.734 0.000 1.198 119 Y CB 0.938 38.553 38.460 -1.407 0.000 1.402 119 Y HN 0.418 nan 8.280 nan 0.000 0.577 120 D N -0.214 119.974 120.400 -0.354 0.000 2.483 120 D HA 0.086 4.726 4.640 -0.001 0.000 0.281 120 D C -0.422 175.778 176.300 -0.167 0.000 1.174 120 D CA -0.458 53.430 54.000 -0.187 0.000 0.938 120 D CB -0.212 40.460 40.800 -0.214 0.000 1.002 120 D HN 0.555 nan 8.370 nan 0.000 0.501 121 W N 1.344 122.633 121.300 -0.019 0.000 2.632 121 W HA -0.058 4.601 4.660 -0.002 0.000 0.248 121 W C 1.197 177.727 176.519 0.019 0.000 1.259 121 W CA -0.102 57.239 57.345 -0.006 0.000 1.288 121 W CB 0.192 29.678 29.460 0.044 0.000 1.136 121 W HN 0.279 nan 8.180 nan 0.000 0.640 122 D N -0.226 120.298 120.400 0.207 0.000 2.392 122 D HA -0.080 4.560 4.640 -0.001 0.000 0.228 122 D C 1.441 177.822 176.300 0.135 0.000 1.003 122 D CA 0.949 55.066 54.000 0.196 0.000 0.917 122 D CB -0.206 40.678 40.800 0.140 0.000 0.890 122 D HN 0.290 nan 8.370 nan 0.000 0.532 123 R N -0.024 120.501 120.500 0.041 0.000 2.535 123 R HA 0.137 4.476 4.340 -0.001 0.000 0.323 123 R C 0.364 176.708 176.300 0.075 0.000 0.979 123 R CA -0.327 55.748 56.100 -0.042 0.000 1.120 123 R CB 0.891 31.100 30.300 -0.152 0.000 1.306 123 R HN 0.143 nan 8.270 nan 0.000 0.540 124 E N 1.871 122.171 120.200 0.167 0.000 2.467 124 E HA 0.058 4.407 4.350 -0.001 0.000 0.264 124 E C -0.643 176.076 176.600 0.199 0.000 1.020 124 E CA 0.093 56.637 56.400 0.241 0.000 0.945 124 E CB 0.810 30.804 29.700 0.490 0.000 0.942 124 E HN -0.004 nan 8.360 nan 0.000 0.449 125 V N 0.995 120.982 119.914 0.121 0.000 2.733 125 V HA 0.506 4.625 4.120 -0.001 0.000 0.306 125 V C -0.813 175.209 176.094 -0.120 0.000 1.084 125 V CA -0.670 61.613 62.300 -0.029 0.000 0.905 125 V CB 2.012 33.700 31.823 -0.224 0.000 1.010 125 V HN 0.617 nan 8.190 nan 0.000 0.424 126 T N 3.440 117.930 114.554 -0.106 0.000 2.772 126 T HA 0.369 4.718 4.350 -0.001 0.000 0.288 126 T C 1.409 175.910 174.700 -0.332 0.000 0.994 126 T CA 0.313 62.325 62.100 -0.146 0.000 0.951 126 T CB 1.276 70.111 68.868 -0.056 0.000 0.933 126 T HN 1.127 nan 8.240 nan 0.000 0.447 127 T N -0.984 113.305 114.554 -0.442 0.000 2.759 127 T HA -0.189 4.160 4.350 -0.001 0.000 0.269 127 T C 2.331 177.026 174.700 -0.008 0.000 1.042 127 T CA 1.601 63.514 62.100 -0.313 0.000 1.140 127 T CB -0.988 67.806 68.868 -0.123 0.000 0.864 127 T HN 0.855 nan 8.240 nan 0.000 0.455 128 C N 1.309 120.375 119.300 -0.390 0.000 2.491 128 C HA 0.294 4.753 4.460 -0.001 0.000 0.277 128 C C 0.918 175.524 174.990 -0.639 0.000 1.455 128 C CA -1.323 56.996 59.018 -1.165 0.000 1.758 128 C CB -1.630 25.007 27.740 -1.838 0.000 1.745 128 C HN 0.498 nan 8.230 nan 0.000 0.558 129 E N 2.172 122.178 120.200 -0.323 0.000 2.289 129 E HA 0.162 4.512 4.350 -0.001 0.000 0.278 129 E C -1.576 174.653 176.600 -0.619 0.000 1.032 129 E CA -1.551 54.673 56.400 -0.294 0.000 0.854 129 E CB 0.911 30.555 29.700 -0.094 0.000 1.046 129 E HN 0.150 nan 8.360 nan 0.000 0.409 130 P HA -0.225 nan 4.420 nan 0.000 0.217 130 P C 0.571 177.521 177.300 -0.583 0.000 1.151 130 P CA 1.268 63.695 63.100 -1.122 0.000 0.849 130 P CB 0.270 31.700 31.700 -0.451 0.000 0.787 131 E N -2.722 117.313 120.200 -0.276 0.000 2.267 131 E HA -0.190 4.159 4.350 -0.001 0.000 0.197 131 E C 1.697 178.326 176.600 0.049 0.000 0.998 131 E CA 1.066 57.416 56.400 -0.082 0.000 0.830 131 E CB -0.625 29.099 29.700 0.041 0.000 0.751 131 E HN 0.450 nan 8.360 nan 0.000 0.491 132 Y N -0.920 119.323 120.300 -0.095 0.000 2.331 132 Y HA -0.069 4.481 4.550 -0.000 0.000 0.282 132 Y C 1.937 178.000 175.900 0.272 0.000 1.140 132 Y CA 0.691 58.877 58.100 0.143 0.000 1.198 132 Y CB -0.377 38.131 38.460 0.080 0.000 1.159 132 Y HN 0.152 nan 8.280 nan 0.000 0.512 133 Y N 0.489 120.924 120.300 0.224 0.000 2.556 133 Y HA -0.156 4.393 4.550 -0.001 0.000 0.290 133 Y C 2.321 178.202 175.900 -0.032 0.000 1.149 133 Y CA 0.873 59.040 58.100 0.111 0.000 1.329 133 Y CB -0.697 37.874 38.460 0.185 0.000 0.975 133 Y HN 0.118 nan 8.280 nan 0.000 0.561 134 R N 0.833 121.403 120.500 0.116 0.000 2.112 134 R HA -0.237 4.103 4.340 -0.001 0.000 0.242 134 R C 1.629 177.839 176.300 -0.150 0.000 1.137 134 R CA 2.760 58.761 56.100 -0.166 0.000 0.944 134 R CB -0.843 29.050 30.300 -0.678 0.000 0.857 134 R HN 0.607 nan 8.270 nan 0.000 0.435 135 W N 0.712 122.071 121.300 0.099 0.000 2.402 135 W HA -0.007 4.652 4.660 -0.001 0.000 0.286 135 W C 2.101 178.682 176.519 0.105 0.000 1.221 135 W CA 0.681 58.060 57.345 0.056 0.000 1.257 135 W CB -0.345 29.114 29.460 -0.001 0.000 1.120 135 W HN 0.325 nan 8.180 nan 0.000 0.551 136 N N 0.471 119.381 118.700 0.350 0.000 2.094 136 N HA -0.249 4.491 4.740 -0.001 0.000 0.191 136 N C 1.655 177.229 175.510 0.107 0.000 1.023 136 N CA 1.572 54.769 53.050 0.245 0.000 0.857 136 N CB -0.334 38.175 38.487 0.037 0.000 1.013 136 N HN 0.415 nan 8.380 nan 0.000 0.426 137 Q N -0.478 119.351 119.800 0.049 0.000 2.119 137 Q HA -0.167 4.173 4.340 -0.001 0.000 0.201 137 Q C 1.711 177.828 176.000 0.195 0.000 0.972 137 Q CA 1.081 56.872 55.803 -0.021 0.000 0.847 137 Q CB -0.207 28.454 28.738 -0.129 0.000 0.903 137 Q HN 0.553 nan 8.270 nan 0.000 0.433 138 W N 1.228 122.586 121.300 0.097 0.000 2.402 138 W HA -0.112 4.547 4.660 -0.001 0.000 0.286 138 W C 1.494 178.111 176.519 0.164 0.000 1.221 138 W CA 0.942 58.390 57.345 0.172 0.000 1.257 138 W CB 0.079 29.781 29.460 0.403 0.000 1.120 138 W HN -0.001 nan 8.180 nan 0.000 0.551 139 I N -0.499 120.443 120.570 0.620 0.000 2.162 139 I HA -0.260 3.909 4.170 -0.001 0.000 0.238 139 I C 2.340 178.593 176.117 0.227 0.000 1.076 139 I CA 1.245 62.800 61.300 0.425 0.000 1.353 139 I CB -0.943 37.263 38.000 0.344 0.000 1.063 139 I HN -0.071 nan 8.210 nan 0.000 0.408 140 F N 1.775 121.822 119.950 0.162 0.000 2.111 140 F HA -0.297 4.230 4.527 -0.001 0.000 0.300 140 F C 2.202 177.995 175.800 -0.010 0.000 1.088 140 F CA 1.756 59.800 58.000 0.074 0.000 1.243 140 F CB -0.384 38.573 39.000 -0.072 0.000 0.996 140 F HN -0.063 nan 8.300 nan 0.000 0.483 141 L N -0.269 121.130 121.223 0.292 0.000 2.005 141 L HA -0.228 4.112 4.340 -0.001 0.000 0.207 141 L C 2.585 179.502 176.870 0.078 0.000 1.072 141 L CA 1.357 56.293 54.840 0.160 0.000 0.744 141 L CB -0.783 41.262 42.059 -0.024 0.000 0.895 141 L HN -0.026 nan 8.230 nan 0.000 0.433 142 K N -0.082 120.251 120.400 -0.112 0.000 2.211 142 K HA -0.146 4.174 4.320 -0.001 0.000 0.204 142 K C 1.999 178.655 176.600 0.093 0.000 1.047 142 K CA 1.438 57.669 56.287 -0.093 0.000 0.935 142 K CB -0.233 32.114 32.500 -0.254 0.000 0.728 142 K HN 0.404 nan 8.250 nan 0.000 0.452 143 M N -0.895 118.654 119.600 -0.086 0.000 2.156 143 M HA -0.144 4.335 4.480 -0.001 0.000 0.264 143 M C 2.118 178.381 176.300 -0.062 0.000 1.067 143 M CA 1.213 56.313 55.300 -0.334 0.000 1.131 143 M CB -0.421 31.767 32.600 -0.686 0.000 1.368 143 M HN 0.293 nan 8.290 nan 0.000 0.416 144 W N 2.436 123.650 121.300 -0.144 0.000 2.358 144 W HA -0.187 4.472 4.660 -0.001 0.000 0.303 144 W C 1.444 177.986 176.519 0.039 0.000 1.208 144 W CA 1.696 59.041 57.345 0.000 0.000 1.274 144 W CB -0.428 29.100 29.460 0.114 0.000 1.138 144 W HN 0.307 nan 8.180 nan 0.000 0.515 145 E N 0.119 120.452 120.200 0.221 0.000 2.265 145 E HA -0.215 4.134 4.350 -0.001 0.000 0.196 145 E C 1.630 178.220 176.600 -0.016 0.000 0.996 145 E CA 0.859 57.317 56.400 0.096 0.000 0.832 145 E CB -0.273 29.494 29.700 0.112 0.000 0.756 145 E HN 0.158 nan 8.360 nan 0.000 0.491 146 K N -0.010 120.397 120.400 0.011 0.000 2.493 146 K HA 0.084 4.404 4.320 -0.001 0.000 0.207 146 K C 0.334 176.920 176.600 -0.023 0.000 1.033 146 K CA 0.256 56.559 56.287 0.028 0.000 1.161 146 K CB 0.334 32.927 32.500 0.156 0.000 0.873 146 K HN 0.164 nan 8.250 nan 0.000 0.491 147 G N 1.614 110.333 108.800 -0.135 0.000 2.379 147 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.297 147 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.297 147 G C 0.403 175.285 174.900 -0.029 0.000 1.004 147 G CA 0.396 45.397 45.100 -0.167 0.000 0.921 147 G HN 0.435 nan 8.290 nan 0.000 0.511 148 L N -1.017 120.208 121.223 0.004 0.000 2.554 148 L HA 0.488 4.828 4.340 -0.001 0.000 0.225 148 L C 1.612 178.532 176.870 0.083 0.000 1.104 148 L CA 0.730 55.612 54.840 0.070 0.000 0.866 148 L CB 0.193 42.261 42.059 0.016 0.000 1.047 148 L HN 0.491 nan 8.230 nan 0.000 0.468 149 A N -0.303 122.554 122.820 0.062 0.000 2.350 149 A HA 0.677 4.997 4.320 -0.001 0.000 0.324 149 A C -1.290 176.532 177.584 0.398 0.000 1.118 149 A CA -0.304 51.791 52.037 0.096 0.000 0.783 149 A CB 0.860 19.734 19.000 -0.209 0.000 1.236 149 A HN 0.226 nan 8.150 nan 0.000 0.457 150 Y N -0.747 119.773 120.300 0.367 0.000 2.713 150 Y HA 0.771 5.321 4.550 -0.000 0.000 0.335 150 Y C -0.804 175.029 175.900 -0.111 0.000 1.222 150 Y CA -1.318 56.871 58.100 0.149 0.000 1.061 150 Y CB 0.715 39.186 38.460 0.019 0.000 1.314 150 Y HN 0.670 nan 8.280 nan 0.000 0.453 151 R N 1.267 121.667 120.500 -0.166 0.000 2.720 151 R HA 0.965 5.304 4.340 -0.001 0.000 0.272 151 R C -1.363 175.039 176.300 0.171 0.000 0.991 151 R CA -0.846 55.041 56.100 -0.355 0.000 1.010 151 R CB 1.979 31.889 30.300 -0.650 0.000 1.141 151 R HN 1.055 nan 8.270 nan 0.000 0.494 152 A N 1.536 124.469 122.820 0.187 0.000 2.583 152 A HA 0.301 4.620 4.320 -0.001 0.000 0.298 152 A C -1.491 176.231 177.584 0.229 0.000 1.055 152 A CA -0.790 51.400 52.037 0.254 0.000 0.714 152 A CB 1.288 20.529 19.000 0.400 0.000 1.277 152 A HN 0.630 nan 8.150 nan 0.000 0.406 153 K N 0.437 120.916 120.400 0.132 0.000 2.090 153 K HA 0.728 5.047 4.320 -0.001 0.000 0.250 153 K C 0.364 177.043 176.600 0.132 0.000 1.004 153 K CA 0.683 57.034 56.287 0.107 0.000 0.919 153 K CB 1.364 33.890 32.500 0.043 0.000 1.045 153 K HN 2.083 nan 8.250 nan 0.000 0.471 154 G N 0.663 109.532 108.800 0.114 0.000 2.359 154 G HA2 0.049 4.009 3.960 -0.001 0.000 0.314 154 G HA3 0.049 4.009 3.960 -0.001 0.000 0.314 154 G C -1.485 173.492 174.900 0.128 0.000 1.364 154 G CA -1.065 44.104 45.100 0.114 0.000 0.978 154 G HN 0.502 nan 8.290 nan 0.000 0.615 155 L N 0.208 121.500 121.223 0.116 0.000 2.456 155 L HA 0.530 4.870 4.340 -0.001 0.000 0.272 155 L C 1.014 177.998 176.870 0.190 0.000 1.189 155 L CA -0.430 54.485 54.840 0.125 0.000 0.846 155 L CB 0.722 42.842 42.059 0.102 0.000 1.111 155 L HN 0.857 nan 8.230 nan 0.000 0.475 156 V N -0.237 119.799 119.914 0.203 0.000 3.130 156 V HA 0.497 4.617 4.120 -0.001 0.000 0.310 156 V C -0.615 175.641 176.094 0.271 0.000 1.158 156 V CA -1.266 61.189 62.300 0.258 0.000 1.029 156 V CB 2.046 34.037 31.823 0.281 0.000 1.057 156 V HN 0.721 nan 8.190 nan 0.000 0.436 157 N N 2.123 120.995 118.700 0.286 0.000 2.514 157 N HA 0.359 5.099 4.740 -0.001 0.000 0.277 157 N C -1.073 174.654 175.510 0.362 0.000 1.126 157 N CA -0.291 52.933 53.050 0.290 0.000 0.978 157 N CB 0.899 39.538 38.487 0.254 0.000 1.106 157 N HN 0.894 nan 8.380 nan 0.000 0.461 158 W N 3.913 125.298 121.300 0.142 0.000 2.683 158 W HA 0.447 5.107 4.660 0.001 0.000 0.329 158 W C -1.229 175.371 176.519 0.136 0.000 1.037 158 W CA -1.093 56.331 57.345 0.132 0.000 1.232 158 W CB 1.400 30.922 29.460 0.103 0.000 1.390 158 W HN 0.412 nan 8.180 nan 0.000 0.465 159 C N 10.681 129.722 119.300 -0.432 0.000 2.225 159 C HA 0.318 4.777 4.460 -0.001 0.000 0.328 159 C C -0.369 174.340 174.990 -0.468 0.000 1.187 159 C CA -2.277 56.586 59.018 -0.260 0.000 1.665 159 C CB 0.234 27.924 27.740 -0.084 0.000 2.253 159 C HN 0.558 nan 8.230 nan 0.000 0.497 160 P HA -0.203 nan 4.420 nan 0.000 0.214 160 P C 1.472 178.711 177.300 -0.102 0.000 1.163 160 P CA 1.777 64.888 63.100 0.019 0.000 0.889 160 P CB 0.158 31.931 31.700 0.122 0.000 0.790 161 K N -0.515 119.765 120.400 -0.199 0.000 1.978 161 K HA -0.150 4.170 4.320 -0.001 0.000 0.214 161 K C 2.312 178.748 176.600 -0.274 0.000 1.049 161 K CA 2.076 58.177 56.287 -0.311 0.000 0.939 161 K CB -0.796 31.307 32.500 -0.661 0.000 0.721 161 K HN 0.058 nan 8.250 nan 0.000 0.441 162 C N 0.813 119.953 119.300 -0.267 0.000 2.403 162 C HA -0.075 4.384 4.460 -0.001 0.000 0.282 162 C C 0.631 175.505 174.990 -0.194 0.000 1.297 162 C CA 0.436 59.395 59.018 -0.098 0.000 1.785 162 C CB -0.757 26.998 27.740 0.024 0.000 1.963 162 C HN 0.581 nan 8.230 nan 0.000 0.507 163 Q N -0.135 119.456 119.800 -0.349 0.000 2.475 163 Q HA -0.182 4.157 4.340 -0.001 0.000 0.280 163 Q C 0.047 175.650 176.000 -0.662 0.000 1.234 163 Q CA 1.688 57.287 55.803 -0.341 0.000 0.873 163 Q CB -1.768 26.984 28.738 0.024 0.000 1.256 163 Q HN 0.769 nan 8.270 nan 0.000 0.475 164 T N -2.536 111.336 114.554 -1.137 0.000 2.762 164 T HA 0.648 4.998 4.350 -0.001 0.000 0.301 164 T C -0.686 173.624 174.700 -0.650 0.000 1.299 164 T CA -0.083 61.575 62.100 -0.736 0.000 1.005 164 T CB 1.713 70.475 68.868 -0.177 0.000 1.377 164 T HN 0.300 nan 8.240 nan 0.000 0.504 165 V N 1.260 121.157 119.914 -0.028 0.000 2.785 165 V HA 0.774 4.894 4.120 -0.001 0.000 0.300 165 V C -0.532 175.644 176.094 0.136 0.000 1.062 165 V CA -0.551 61.852 62.300 0.171 0.000 1.029 165 V CB 0.591 32.589 31.823 0.292 0.000 1.024 165 V HN 0.787 nan 8.190 nan 0.000 0.477 166 L N 2.764 124.102 121.223 0.191 0.000 2.354 166 L HA 0.811 5.150 4.340 -0.001 0.000 0.269 166 L C 0.598 177.621 176.870 0.254 0.000 1.005 166 L CA -0.763 54.209 54.840 0.220 0.000 0.819 166 L CB 1.863 44.061 42.059 0.232 0.000 1.311 166 L HN 0.994 nan 8.230 nan 0.000 0.423 167 A N 1.812 124.799 122.820 0.279 0.000 2.366 167 A HA 0.163 4.483 4.320 -0.001 0.000 0.250 167 A C 0.730 178.496 177.584 0.303 0.000 1.099 167 A CA -0.003 52.248 52.037 0.357 0.000 0.794 167 A CB 0.003 19.294 19.000 0.485 0.000 1.056 167 A HN 0.917 nan 8.150 nan 0.000 0.499 168 N N -0.028 118.882 118.700 0.350 0.000 2.166 168 N HA -0.109 4.630 4.740 -0.001 0.000 0.186 168 N C 0.934 176.669 175.510 0.376 0.000 1.019 168 N CA 1.705 54.970 53.050 0.358 0.000 0.856 168 N CB -0.153 38.551 38.487 0.361 0.000 0.993 168 N HN 0.747 nan 8.380 nan 0.000 0.426 169 E N 0.312 120.683 120.200 0.285 0.000 2.515 169 E HA -0.058 4.291 4.350 -0.001 0.000 0.201 169 E C 0.725 177.207 176.600 -0.198 0.000 1.071 169 E CA 0.537 56.871 56.400 -0.110 0.000 0.880 169 E CB 0.045 29.540 29.700 -0.341 0.000 0.828 169 E HN 0.443 nan 8.360 nan 0.000 0.540 170 Q N -0.207 119.552 119.800 -0.069 0.000 2.188 170 Q HA 0.150 4.489 4.340 -0.001 0.000 0.212 170 Q C -0.736 175.338 176.000 0.123 0.000 0.846 170 Q CA -0.084 55.601 55.803 -0.196 0.000 0.989 170 Q CB 1.154 29.721 28.738 -0.285 0.000 1.114 170 Q HN 0.028 nan 8.270 nan 0.000 0.488 171 V N 1.346 121.350 119.914 0.150 0.000 2.235 171 V HA 0.217 4.337 4.120 -0.001 0.000 0.266 171 V C -0.089 176.113 176.094 0.180 0.000 1.055 171 V CA -0.622 61.802 62.300 0.206 0.000 0.844 171 V CB 1.019 32.974 31.823 0.220 0.000 1.097 171 V HN -0.097 nan 8.190 nan 0.000 0.453 172 V N 3.754 123.775 119.914 0.178 0.000 2.415 172 V HA 0.196 4.315 4.120 -0.001 0.000 0.267 172 V C 0.951 177.126 176.094 0.135 0.000 1.042 172 V CA 0.029 62.411 62.300 0.137 0.000 1.000 172 V CB -0.317 31.591 31.823 0.143 0.000 1.015 172 V HN 1.070 nan 8.190 nan 0.000 0.478 173 E N 3.631 123.907 120.200 0.126 0.000 2.320 173 E HA -0.225 4.124 4.350 -0.001 0.000 0.234 173 E C 1.123 177.798 176.600 0.125 0.000 1.183 173 E CA 0.386 56.855 56.400 0.116 0.000 0.713 173 E CB -1.341 28.417 29.700 0.097 0.000 1.226 173 E HN 1.385 nan 8.360 nan 0.000 0.382 174 G N 0.387 109.273 108.800 0.143 0.000 2.341 174 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.292 174 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.292 174 G C 0.102 175.091 174.900 0.148 0.000 1.021 174 G CA 1.191 46.378 45.100 0.146 0.000 0.905 174 G HN 0.345 nan 8.290 nan 0.000 0.508 175 R N -1.865 118.731 120.500 0.161 0.000 2.799 175 R HA 0.513 4.853 4.340 -0.001 0.000 0.270 175 R C -0.325 176.103 176.300 0.213 0.000 1.010 175 R CA -0.590 55.611 56.100 0.167 0.000 0.916 175 R CB 1.109 31.493 30.300 0.141 0.000 1.228 175 R HN 0.294 nan 8.270 nan 0.000 0.469 176 C N 3.546 122.986 119.300 0.234 0.000 2.632 176 C HA 0.146 4.605 4.460 -0.001 0.000 0.415 176 C C 1.908 177.059 174.990 0.269 0.000 1.332 176 C CA -0.604 58.599 59.018 0.309 0.000 1.874 176 C CB -0.452 27.495 27.740 0.345 0.000 2.596 176 C HN 1.002 nan 8.230 nan 0.000 0.590 177 W N 6.175 127.516 121.300 0.068 0.000 2.387 177 W HA -0.063 4.601 4.660 0.007 0.000 0.272 177 W C 1.475 177.991 176.519 -0.005 0.000 1.224 177 W CA 0.906 58.284 57.345 0.055 0.000 1.210 177 W CB -0.984 28.544 29.460 0.114 0.000 1.125 177 W HN 0.677 nan 8.180 nan 0.000 0.572 178 R N 0.330 120.395 120.500 -0.726 0.000 2.103 178 R HA 0.025 4.364 4.340 -0.001 0.000 0.212 178 R C 0.013 175.941 176.300 -0.619 0.000 1.107 178 R CA 0.884 56.433 56.100 -0.919 0.000 1.025 178 R CB -1.086 28.423 30.300 -1.318 0.000 0.929 178 R HN 0.370 nan 8.270 nan 0.000 0.456 179 H N 0.542 119.543 119.070 -0.116 0.000 2.628 179 H HA 0.242 4.796 4.556 -0.004 0.000 0.250 179 H C 0.120 175.455 175.328 0.012 0.000 1.442 179 H CA -0.281 55.741 56.048 -0.044 0.000 1.282 179 H CB 0.961 30.704 29.762 -0.031 0.000 1.487 179 H HN -0.071 nan 8.280 nan 0.000 0.544 180 E N 1.654 121.900 120.200 0.077 0.000 2.505 180 E HA -0.100 4.249 4.350 -0.001 0.000 0.197 180 E C 0.532 177.189 176.600 0.094 0.000 1.111 180 E CA 0.532 56.986 56.400 0.090 0.000 0.887 180 E CB 0.148 29.888 29.700 0.067 0.000 0.913 180 E HN 0.724 nan 8.360 nan 0.000 0.517 181 D N -2.020 118.444 120.400 0.106 0.000 2.433 181 D HA 0.020 4.659 4.640 -0.001 0.000 0.211 181 D C -0.255 176.096 176.300 0.084 0.000 1.114 181 D CA -0.047 54.004 54.000 0.085 0.000 0.837 181 D CB 0.446 41.289 40.800 0.071 0.000 0.984 181 D HN -0.140 nan 8.370 nan 0.000 0.505 182 T N 2.561 117.181 114.554 0.109 0.000 2.833 182 T HA 0.381 4.731 4.350 -0.001 0.000 0.297 182 T C -2.808 171.958 174.700 0.111 0.000 1.015 182 T CA -1.329 60.824 62.100 0.088 0.000 0.963 182 T CB 2.137 71.035 68.868 0.050 0.000 0.955 182 T HN -0.149 nan 8.240 nan 0.000 0.449 183 P HA 0.188 nan 4.420 nan 0.000 0.270 183 P C -0.047 177.331 177.300 0.130 0.000 1.242 183 P CA -0.374 62.794 63.100 0.113 0.000 0.768 183 P CB 0.331 32.090 31.700 0.099 0.000 0.820 184 V N 4.297 124.301 119.914 0.150 0.000 2.901 184 V HA -0.032 4.087 4.120 -0.001 0.000 0.307 184 V C 0.920 177.123 176.094 0.181 0.000 1.084 184 V CA 0.702 63.105 62.300 0.171 0.000 1.184 184 V CB 0.002 31.938 31.823 0.188 0.000 0.941 184 V HN 0.556 nan 8.190 nan 0.000 0.493 185 E N 2.446 122.782 120.200 0.226 0.000 2.339 185 E HA 0.573 4.923 4.350 -0.001 0.000 0.262 185 E C -1.052 175.694 176.600 0.245 0.000 0.934 185 E CA -1.066 55.468 56.400 0.223 0.000 0.802 185 E CB 1.994 31.840 29.700 0.242 0.000 1.275 185 E HN 0.550 nan 8.360 nan 0.000 0.427 186 K N 1.193 121.701 120.400 0.180 0.000 2.164 186 K HA 0.579 4.899 4.320 -0.001 0.000 0.258 186 K C -0.534 176.132 176.600 0.111 0.000 0.951 186 K CA -0.582 55.801 56.287 0.160 0.000 0.844 186 K CB 1.679 34.250 32.500 0.118 0.000 1.099 186 K HN 0.251 nan 8.250 nan 0.000 0.435 187 R N 1.127 121.691 120.500 0.107 0.000 2.668 187 R HA 0.136 4.475 4.340 -0.001 0.000 0.272 187 R C -1.370 174.948 176.300 0.030 0.000 1.019 187 R CA -0.960 55.147 56.100 0.011 0.000 0.894 187 R CB 2.037 32.268 30.300 -0.114 0.000 1.228 187 R HN 0.528 nan 8.270 nan 0.000 0.460 188 E N 2.656 122.847 120.200 -0.015 0.000 2.259 188 E HA 0.479 4.828 4.350 -0.001 0.000 0.281 188 E C -1.280 175.320 176.600 -0.001 0.000 1.037 188 E CA 0.009 56.409 56.400 0.001 0.000 0.854 188 E CB 0.598 30.284 29.700 -0.023 0.000 1.051 188 E HN 0.433 nan 8.360 nan 0.000 0.409 189 L N 2.815 124.064 121.223 0.042 0.000 2.794 189 L HA 0.318 4.657 4.340 -0.001 0.000 0.261 189 L C -1.361 175.553 176.870 0.074 0.000 0.989 189 L CA -0.726 54.141 54.840 0.044 0.000 0.900 189 L CB 2.056 44.151 42.059 0.060 0.000 1.473 189 L HN 0.592 nan 8.230 nan 0.000 0.414 190 E N 2.191 122.422 120.200 0.051 0.000 2.092 190 E HA 0.391 4.741 4.350 -0.001 0.000 0.271 190 E C -1.279 175.334 176.600 0.021 0.000 0.919 190 E CA -0.512 55.914 56.400 0.043 0.000 0.760 190 E CB 1.081 30.781 29.700 0.000 0.000 1.106 190 E HN 0.280 nan 8.360 nan 0.000 0.408 191 Q N 2.684 122.475 119.800 -0.015 0.000 2.712 191 Q HA 0.394 4.733 4.340 -0.001 0.000 0.267 191 Q C -0.989 174.811 176.000 -0.332 0.000 1.062 191 Q CA -0.608 55.125 55.803 -0.117 0.000 0.888 191 Q CB 0.610 29.236 28.738 -0.187 0.000 1.374 191 Q HN 0.518 nan 8.270 nan 0.000 0.498 192 W N 0.130 121.241 121.300 -0.314 0.000 2.448 192 W HA 0.522 5.181 4.660 -0.001 0.000 0.339 192 W C -0.668 175.472 176.519 -0.633 0.000 1.124 192 W CA -0.003 57.187 57.345 -0.259 0.000 1.262 192 W CB 0.770 30.225 29.460 -0.007 0.000 1.251 192 W HN 0.358 nan 8.180 nan 0.000 0.597 193 Y N 1.482 121.688 120.300 -0.156 0.000 2.534 193 Y HA 0.541 5.090 4.550 -0.001 0.000 0.345 193 Y C -0.466 175.215 175.900 -0.366 0.000 1.031 193 Y CA -1.243 56.644 58.100 -0.355 0.000 1.022 193 Y CB 1.511 39.539 38.460 -0.719 0.000 1.292 193 Y HN -0.050 nan 8.280 nan 0.000 0.459 194 L N 2.779 124.034 121.223 0.054 0.000 2.313 194 L HA 0.531 4.870 4.340 -0.001 0.000 0.283 194 L C 0.380 177.359 176.870 0.181 0.000 1.013 194 L CA -0.769 54.121 54.840 0.083 0.000 0.816 194 L CB 1.571 43.703 42.059 0.123 0.000 1.236 194 L HN 0.557 nan 8.230 nan 0.000 0.419 195 R N 2.869 123.483 120.500 0.190 0.000 4.559 195 R HA 0.072 4.412 4.340 -0.001 0.000 0.177 195 R C 1.350 177.646 176.300 -0.007 0.000 1.875 195 R CA -0.001 56.208 56.100 0.182 0.000 1.509 195 R CB -0.234 30.197 30.300 0.218 0.000 1.395 195 R HN 0.696 nan 8.270 nan 0.000 0.830 196 I N 0.392 120.846 120.570 -0.194 0.000 2.394 196 I HA -0.266 3.903 4.170 -0.001 0.000 0.251 196 I C 2.018 177.955 176.117 -0.300 0.000 1.136 196 I CA 1.675 62.566 61.300 -0.681 0.000 1.425 196 I CB 0.012 37.665 38.000 -0.579 0.000 1.079 196 I HN 0.468 nan 8.210 nan 0.000 0.425 197 T N -0.684 113.776 114.554 -0.156 0.000 2.869 197 T HA -0.151 4.198 4.350 -0.001 0.000 0.270 197 T C 1.722 176.316 174.700 -0.177 0.000 1.082 197 T CA 1.024 63.023 62.100 -0.168 0.000 1.123 197 T CB -0.704 68.096 68.868 -0.114 0.000 0.856 197 T HN 0.426 nan 8.240 nan 0.000 0.499 198 A N -0.454 122.308 122.820 -0.097 0.000 2.239 198 A HA 0.239 4.558 4.320 -0.001 0.000 0.209 198 A C 1.209 178.609 177.584 -0.306 0.000 1.171 198 A CA 0.339 52.282 52.037 -0.157 0.000 0.768 198 A CB -0.689 18.253 19.000 -0.098 0.000 0.790 198 A HN 0.700 nan 8.150 nan 0.000 0.478 199 Y N -2.186 118.008 120.300 -0.178 0.000 2.641 199 Y HA 0.395 4.944 4.550 -0.000 0.000 0.248 199 Y C 2.097 177.867 175.900 -0.216 0.000 1.170 199 Y CA -0.188 57.837 58.100 -0.126 0.000 1.201 199 Y CB 0.007 38.450 38.460 -0.028 0.000 1.232 199 Y HN 0.259 nan 8.280 nan 0.000 0.537 200 A N 0.149 122.803 122.820 -0.275 0.000 1.940 200 A HA -0.235 4.085 4.320 -0.001 0.000 0.219 200 A C 2.067 179.397 177.584 -0.424 0.000 1.176 200 A CA 2.247 53.986 52.037 -0.497 0.000 0.631 200 A CB -0.185 18.176 19.000 -1.065 0.000 0.814 200 A HN 0.353 nan 8.150 nan 0.000 0.446 201 E N 0.151 120.153 120.200 -0.331 0.000 2.001 201 E HA -0.128 4.221 4.350 -0.001 0.000 0.193 201 E C 2.193 178.768 176.600 -0.042 0.000 0.994 201 E CA 1.478 57.828 56.400 -0.084 0.000 0.815 201 E CB -0.358 29.340 29.700 -0.005 0.000 0.770 201 E HN 0.579 nan 8.360 nan 0.000 0.453 202 R N 0.109 120.592 120.500 -0.029 0.000 2.119 202 R HA -0.138 4.202 4.340 -0.001 0.000 0.246 202 R C 2.623 178.918 176.300 -0.009 0.000 1.146 202 R CA 1.606 57.710 56.100 0.006 0.000 0.962 202 R CB -0.726 29.621 30.300 0.078 0.000 0.863 202 R HN 0.232 nan 8.270 nan 0.000 0.442 203 L N 0.368 121.590 121.223 -0.002 0.000 2.261 203 L HA -0.195 4.145 4.340 -0.001 0.000 0.216 203 L C 2.146 178.971 176.870 -0.076 0.000 1.114 203 L CA 0.671 55.488 54.840 -0.038 0.000 0.777 203 L CB -0.207 41.830 42.059 -0.036 0.000 0.910 203 L HN 0.227 nan 8.230 nan 0.000 0.440 204 L N -1.056 120.134 121.223 -0.055 0.000 2.262 204 L HA 0.006 4.345 4.340 -0.001 0.000 0.197 204 L C 2.348 179.184 176.870 -0.056 0.000 1.073 204 L CA 1.305 56.119 54.840 -0.043 0.000 0.800 204 L CB -0.473 41.596 42.059 0.016 0.000 0.987 204 L HN -0.101 nan 8.230 nan 0.000 0.470 205 K N 0.157 120.534 120.400 -0.038 0.000 2.211 205 K HA -0.164 4.156 4.320 -0.001 0.000 0.204 205 K C 1.040 177.593 176.600 -0.078 0.000 1.047 205 K CA 1.435 57.696 56.287 -0.043 0.000 0.935 205 K CB -0.254 32.231 32.500 -0.025 0.000 0.728 205 K HN 0.466 nan 8.250 nan 0.000 0.452 206 D N 0.104 120.441 120.400 -0.104 0.000 2.349 206 D HA -0.007 4.632 4.640 -0.001 0.000 0.215 206 D C 1.677 177.846 176.300 -0.220 0.000 1.016 206 D CA 0.112 54.023 54.000 -0.148 0.000 0.870 206 D CB 0.222 40.932 40.800 -0.150 0.000 0.917 206 D HN 0.178 nan 8.370 nan 0.000 0.524 207 L N 0.816 121.905 121.223 -0.223 0.000 2.376 207 L HA -0.082 4.257 4.340 -0.001 0.000 0.219 207 L C 2.099 178.829 176.870 -0.232 0.000 1.133 207 L CA 0.694 55.355 54.840 -0.297 0.000 0.816 207 L CB -0.105 41.812 42.059 -0.237 0.000 0.933 207 L HN 0.001 nan 8.230 nan 0.000 0.449 208 E N 0.508 120.613 120.200 -0.159 0.000 1.997 208 E HA -0.182 4.168 4.350 -0.001 0.000 0.201 208 E C 1.588 178.116 176.600 -0.120 0.000 1.011 208 E CA 1.201 57.531 56.400 -0.117 0.000 0.847 208 E CB -0.441 29.208 29.700 -0.085 0.000 0.787 208 E HN 0.440 nan 8.360 nan 0.000 0.472 209 G N 1.379 110.111 108.800 -0.115 0.000 3.356 209 G HA2 0.197 4.157 3.960 -0.001 0.000 0.239 209 G HA3 0.197 4.157 3.960 -0.001 0.000 0.239 209 G C -0.378 174.448 174.900 -0.124 0.000 1.252 209 G CA -0.120 44.919 45.100 -0.100 0.000 1.611 209 G HN -0.105 nan 8.290 nan 0.000 0.580 210 L N 0.077 121.199 121.223 -0.168 0.000 2.322 210 L HA 0.451 4.790 4.340 -0.001 0.000 0.281 210 L C 0.020 176.840 176.870 -0.083 0.000 1.014 210 L CA -1.053 53.657 54.840 -0.216 0.000 0.815 210 L CB 1.863 43.610 42.059 -0.519 0.000 1.247 210 L HN 0.091 nan 8.230 nan 0.000 0.421 211 N N 3.702 122.433 118.700 0.051 0.000 3.254 211 N HA 0.146 4.886 4.740 -0.001 0.000 0.308 211 N C -1.505 174.211 175.510 0.343 0.000 1.281 211 N CA -0.098 53.034 53.050 0.138 0.000 1.212 211 N CB -0.025 38.521 38.487 0.098 0.000 1.478 211 N HN 0.326 nan 8.380 nan 0.000 0.548 212 W N 0.688 121.955 121.300 -0.055 0.000 2.850 212 W HA 0.494 5.155 4.660 0.000 0.000 0.349 212 W C -2.006 174.469 176.519 -0.073 0.000 1.133 212 W CA -2.205 55.108 57.345 -0.055 0.000 1.117 212 W CB -0.336 29.098 29.460 -0.043 0.000 1.442 212 W HN 0.121 nan 8.180 nan 0.000 0.575 213 P HA -0.005 nan 4.420 nan 0.000 0.268 213 P C 0.758 178.096 177.300 0.064 0.000 1.205 213 P CA 0.200 63.315 63.100 0.024 0.000 0.771 213 P CB 0.963 32.630 31.700 -0.056 0.000 0.858 214 E N 4.965 125.175 120.200 0.018 0.000 2.033 214 E HA -0.294 4.055 4.350 -0.001 0.000 0.199 214 E C 1.706 178.319 176.600 0.022 0.000 1.011 214 E CA 2.088 58.498 56.400 0.015 0.000 0.815 214 E CB -0.614 29.082 29.700 -0.006 0.000 0.755 214 E HN 0.383 nan 8.360 nan 0.000 0.451 215 K N -0.160 120.244 120.400 0.006 0.000 2.071 215 K HA -0.255 4.065 4.320 -0.001 0.000 0.217 215 K C 2.015 178.632 176.600 0.027 0.000 1.054 215 K CA 2.427 58.718 56.287 0.007 0.000 0.937 215 K CB -0.420 32.073 32.500 -0.011 0.000 0.719 215 K HN 0.155 nan 8.250 nan 0.000 0.454 216 V N 1.174 121.121 119.914 0.056 0.000 2.220 216 V HA -0.285 3.835 4.120 -0.001 0.000 0.246 216 V C 2.322 178.478 176.094 0.103 0.000 1.049 216 V CA 2.311 64.673 62.300 0.104 0.000 1.003 216 V CB -0.604 31.346 31.823 0.213 0.000 0.634 216 V HN 0.401 nan 8.190 nan 0.000 0.444 217 K N 0.191 120.658 120.400 0.112 0.000 2.077 217 K HA -0.280 4.039 4.320 -0.001 0.000 0.213 217 K C 2.281 178.887 176.600 0.011 0.000 1.051 217 K CA 1.819 58.122 56.287 0.027 0.000 0.929 217 K CB -0.617 31.881 32.500 -0.003 0.000 0.715 217 K HN 0.502 nan 8.250 nan 0.000 0.451 218 A N 1.599 124.430 122.820 0.019 0.000 1.842 218 A HA -0.264 4.056 4.320 -0.001 0.000 0.217 218 A C 2.203 179.804 177.584 0.028 0.000 1.206 218 A CA 2.221 54.267 52.037 0.016 0.000 0.630 218 A CB -0.758 18.251 19.000 0.014 0.000 0.839 218 A HN 0.235 nan 8.150 nan 0.000 0.447 219 M N -0.754 118.865 119.600 0.030 0.000 2.124 219 M HA -0.333 4.146 4.480 -0.001 0.000 0.253 219 M C 2.452 178.791 176.300 0.065 0.000 1.077 219 M CA 2.231 57.554 55.300 0.038 0.000 1.085 219 M CB -0.779 31.821 32.600 -0.000 0.000 1.320 219 M HN 0.531 nan 8.290 nan 0.000 0.404 220 Q N -0.298 119.526 119.800 0.040 0.000 2.084 220 Q HA -0.144 4.196 4.340 -0.001 0.000 0.202 220 Q C 2.113 178.163 176.000 0.083 0.000 0.978 220 Q CA 1.297 57.132 55.803 0.053 0.000 0.844 220 Q CB -0.327 28.407 28.738 -0.007 0.000 0.898 220 Q HN 0.595 nan 8.270 nan 0.000 0.426 221 R N 0.397 120.923 120.500 0.044 0.000 2.105 221 R HA -0.108 4.231 4.340 -0.001 0.000 0.239 221 R C 2.243 178.579 176.300 0.059 0.000 1.135 221 R CA 1.191 57.314 56.100 0.039 0.000 0.967 221 R CB -0.320 29.989 30.300 0.016 0.000 0.861 221 R HN 0.207 nan 8.270 nan 0.000 0.442 222 A N 0.496 123.364 122.820 0.079 0.000 1.929 222 A HA -0.158 4.161 4.320 -0.001 0.000 0.216 222 A C 1.841 179.491 177.584 0.111 0.000 1.176 222 A CA 0.603 52.688 52.037 0.080 0.000 0.628 222 A CB -0.755 18.300 19.000 0.092 0.000 0.816 222 A HN 0.562 nan 8.150 nan 0.000 0.444 223 W N 0.430 121.697 121.300 -0.056 0.000 2.418 223 W HA -0.093 4.567 4.660 0.000 0.000 0.292 223 W C 1.600 178.079 176.519 -0.067 0.000 1.213 223 W CA 1.282 58.582 57.345 -0.074 0.000 1.283 223 W CB -0.027 29.373 29.460 -0.100 0.000 1.119 223 W HN 0.296 nan 8.180 nan 0.000 0.542 224 I N 0.797 121.408 120.570 0.067 0.000 2.439 224 I HA -0.085 4.085 4.170 -0.001 0.000 0.251 224 I C 1.792 177.916 176.117 0.012 0.000 1.139 224 I CA 1.236 62.538 61.300 0.003 0.000 1.438 224 I CB -1.198 36.831 38.000 0.049 0.000 1.085 224 I HN 0.099 nan 8.210 nan 0.000 0.427 225 G N 2.816 111.616 108.800 -0.000 0.000 2.390 225 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.299 225 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.299 225 G C 0.475 175.388 174.900 0.022 0.000 1.002 225 G CA 0.429 45.516 45.100 -0.021 0.000 0.979 225 G HN 0.523 nan 8.290 nan 0.000 0.513 226 R N -0.384 120.159 120.500 0.071 0.000 2.638 226 R HA 0.349 4.688 4.340 -0.001 0.000 0.268 226 R C -0.060 176.178 176.300 -0.103 0.000 1.006 226 R CA 0.913 56.957 56.100 -0.093 0.000 1.088 226 R CB 0.273 30.554 30.300 -0.032 0.000 0.950 226 R HN 0.347 nan 8.270 nan 0.000 0.419 227 S N 2.556 118.150 115.700 -0.177 0.000 2.680 227 S HA 0.150 4.620 4.470 -0.001 0.000 0.262 227 S C -1.438 173.203 174.600 0.067 0.000 1.138 227 S CA -0.788 57.418 58.200 0.009 0.000 1.072 227 S CB 0.966 64.264 63.200 0.163 0.000 1.097 227 S HN 0.723 nan 8.310 nan 0.000 0.468 228 E N 2.157 122.386 120.200 0.048 0.000 2.354 228 E HA 0.598 4.948 4.350 -0.001 0.000 0.269 228 E C 0.745 177.417 176.600 0.119 0.000 1.036 228 E CA 0.208 56.646 56.400 0.064 0.000 0.876 228 E CB 1.210 30.910 29.700 0.001 0.000 1.009 228 E HN 0.768 nan 8.360 nan 0.000 0.416 229 G N 0.789 109.663 108.800 0.123 0.000 2.512 229 G HA2 0.579 4.538 3.960 -0.001 0.000 0.186 229 G HA3 0.579 4.538 3.960 -0.001 0.000 0.186 229 G C -1.705 173.146 174.900 -0.080 0.000 1.189 229 G CA -0.015 45.018 45.100 -0.111 0.000 0.994 229 G HN 0.665 nan 8.290 nan 0.000 0.506 230 A N -0.612 122.044 122.820 -0.273 0.000 2.549 230 A HA 0.774 5.094 4.320 -0.001 0.000 0.297 230 A C -1.155 176.389 177.584 -0.066 0.000 1.061 230 A CA -0.207 51.773 52.037 -0.095 0.000 0.690 230 A CB 1.883 20.828 19.000 -0.091 0.000 1.287 230 A HN 0.725 nan 8.150 nan 0.000 0.402 231 E N 2.012 122.246 120.200 0.058 0.000 2.109 231 E HA 0.574 4.923 4.350 -0.001 0.000 0.278 231 E C -1.273 175.359 176.600 0.053 0.000 0.954 231 E CA -0.292 56.161 56.400 0.088 0.000 0.779 231 E CB 0.589 30.349 29.700 0.099 0.000 1.093 231 E HN 0.546 nan 8.360 nan 0.000 0.401 232 I N 5.332 125.946 120.570 0.075 0.000 2.412 232 I HA 0.257 4.426 4.170 -0.001 0.000 0.296 232 I C -0.386 175.833 176.117 0.170 0.000 0.987 232 I CA -0.942 60.415 61.300 0.095 0.000 1.180 232 I CB 1.474 39.552 38.000 0.129 0.000 1.340 232 I HN 0.445 nan 8.210 nan 0.000 0.455 233 L N 6.181 127.455 121.223 0.086 0.000 2.265 233 L HA 0.399 4.738 4.340 -0.001 0.000 0.289 233 L C -0.985 175.939 176.870 0.090 0.000 1.033 233 L CA -0.367 54.541 54.840 0.114 0.000 0.814 233 L CB 0.484 42.567 42.059 0.039 0.000 1.203 233 L HN 0.380 nan 8.230 nan 0.000 0.423 234 F N 4.383 124.329 119.950 -0.007 0.000 2.371 234 F HA 0.393 4.920 4.527 -0.001 0.000 0.363 234 F C -1.950 173.856 175.800 0.011 0.000 1.122 234 F CA -2.571 55.429 58.000 -0.000 0.000 1.129 234 F CB 0.958 39.956 39.000 -0.003 0.000 1.173 234 F HN 0.241 nan 8.300 nan 0.000 0.489 235 P HA 0.088 nan 4.420 nan 0.000 0.271 235 P C -0.539 176.832 177.300 0.117 0.000 1.226 235 P CA -0.041 63.111 63.100 0.087 0.000 0.765 235 P CB 0.743 32.465 31.700 0.036 0.000 0.835 236 V N 3.413 123.387 119.914 0.101 0.000 2.775 236 V HA 0.067 4.186 4.120 -0.001 0.000 0.299 236 V C 0.862 177.012 176.094 0.093 0.000 1.062 236 V CA -0.257 62.106 62.300 0.105 0.000 1.063 236 V CB 0.614 32.484 31.823 0.079 0.000 0.994 236 V HN 0.552 nan 8.190 nan 0.000 0.483 237 E N 2.333 122.602 120.200 0.116 0.000 2.316 237 E HA 0.398 4.748 4.350 -0.001 0.000 0.275 237 E C 1.182 177.822 176.600 0.067 0.000 1.029 237 E CA 0.734 57.189 56.400 0.092 0.000 0.871 237 E CB 0.519 30.286 29.700 0.111 0.000 1.022 237 E HN 0.927 nan 8.360 nan 0.000 0.418 238 G N 4.322 113.147 108.800 0.042 0.000 2.640 238 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.226 238 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.226 238 G C 0.189 175.105 174.900 0.026 0.000 1.222 238 G CA 0.599 45.716 45.100 0.029 0.000 0.729 238 G HN 0.525 nan 8.290 nan 0.000 0.516 239 K N 1.055 121.474 120.400 0.033 0.000 2.362 239 K HA 0.629 4.948 4.320 -0.001 0.000 0.245 239 K C 1.281 177.897 176.600 0.025 0.000 1.040 239 K CA 0.524 56.827 56.287 0.026 0.000 0.961 239 K CB 0.331 32.848 32.500 0.028 0.000 1.252 239 K HN 0.321 nan 8.250 nan 0.000 0.503 240 E N -0.497 119.716 120.200 0.021 0.000 2.251 240 E HA 0.046 4.396 4.350 -0.001 0.000 0.194 240 E C 0.195 176.809 176.600 0.024 0.000 0.964 240 E CA -0.147 56.264 56.400 0.018 0.000 0.868 240 E CB -0.169 29.538 29.700 0.012 0.000 0.828 240 E HN 0.182 nan 8.360 nan 0.000 0.481 241 V N 2.052 121.983 119.914 0.030 0.000 2.673 241 V HA 0.082 4.202 4.120 -0.001 0.000 0.303 241 V C -0.272 175.851 176.094 0.050 0.000 1.046 241 V CA -0.067 62.256 62.300 0.038 0.000 1.126 241 V CB 0.534 32.383 31.823 0.044 0.000 0.934 241 V HN 0.127 nan 8.190 nan 0.000 0.487 242 R N 6.316 126.848 120.500 0.053 0.000 2.387 242 R HA 0.538 4.878 4.340 -0.001 0.000 0.314 242 R C -0.736 175.615 176.300 0.086 0.000 0.958 242 R CA -0.690 55.452 56.100 0.070 0.000 0.846 242 R CB 1.812 32.145 30.300 0.054 0.000 1.147 242 R HN 0.701 nan 8.270 nan 0.000 0.447 243 I N 5.297 125.930 120.570 0.105 0.000 2.352 243 I HA 0.233 4.403 4.170 -0.001 0.000 0.290 243 I C -2.112 174.074 176.117 0.115 0.000 1.036 243 I CA -2.024 59.328 61.300 0.085 0.000 1.336 243 I CB 1.329 39.338 38.000 0.016 0.000 1.407 243 I HN 0.212 nan 8.210 nan 0.000 0.497 244 P HA 0.404 nan 4.420 nan 0.000 0.287 244 P C -1.168 176.169 177.300 0.062 0.000 1.270 244 P CA -0.430 62.731 63.100 0.101 0.000 0.844 244 P CB 1.673 33.420 31.700 0.078 0.000 1.068 245 V N -1.443 118.513 119.914 0.071 0.000 3.114 245 V HA 0.672 4.791 4.120 -0.001 0.000 0.308 245 V C -1.274 174.857 176.094 0.062 0.000 1.168 245 V CA -0.967 61.342 62.300 0.015 0.000 1.015 245 V CB 2.034 33.803 31.823 -0.090 0.000 1.050 245 V HN 0.378 nan 8.190 nan 0.000 0.433 246 F N 1.404 121.276 119.950 -0.130 0.000 2.458 246 F HA 0.888 5.414 4.527 -0.001 0.000 0.330 246 F C 0.022 175.741 175.800 -0.135 0.000 1.082 246 F CA 0.371 58.281 58.000 -0.151 0.000 0.995 246 F CB 1.995 40.843 39.000 -0.254 0.000 1.170 246 F HN 1.075 nan 8.300 nan 0.000 0.478 247 T N 1.768 115.606 114.554 -1.194 0.000 2.886 247 T HA 0.310 4.659 4.350 -0.001 0.000 0.330 247 T C 0.058 174.221 174.700 -0.896 0.000 1.488 247 T CA 0.088 61.698 62.100 -0.817 0.000 1.054 247 T CB 1.163 69.815 68.868 -0.361 0.000 1.348 247 T HN 0.784 nan 8.240 nan 0.000 0.489 248 T N 0.592 114.838 114.554 -0.513 0.000 3.054 248 T HA 0.333 4.683 4.350 -0.001 0.000 0.255 248 T C 0.654 175.234 174.700 -0.201 0.000 1.035 248 T CA -0.290 61.620 62.100 -0.317 0.000 0.941 248 T CB 0.126 68.898 68.868 -0.160 0.000 1.026 248 T HN 0.361 nan 8.240 nan 0.000 0.533 249 R N 1.936 122.321 120.500 -0.191 0.000 3.026 249 R HA 0.295 4.634 4.340 -0.001 0.000 0.317 249 R C -2.111 174.120 176.300 -0.116 0.000 1.278 249 R CA -2.290 53.734 56.100 -0.127 0.000 1.407 249 R CB 0.469 30.718 30.300 -0.086 0.000 1.368 249 R HN 0.308 nan 8.270 nan 0.000 0.612 250 P HA -0.163 nan 4.420 nan 0.000 0.221 250 P C 0.407 177.636 177.300 -0.118 0.000 1.145 250 P CA 1.081 64.109 63.100 -0.119 0.000 0.795 250 P CB 0.246 31.873 31.700 -0.121 0.000 0.775 251 D N -0.103 120.225 120.400 -0.121 0.000 2.378 251 D HA -0.089 4.550 4.640 -0.001 0.000 0.222 251 D C 1.077 177.351 176.300 -0.043 0.000 0.980 251 D CA 1.242 55.162 54.000 -0.133 0.000 0.907 251 D CB -0.812 39.914 40.800 -0.124 0.000 0.899 251 D HN 0.281 nan 8.370 nan 0.000 0.527 252 T N -2.214 112.346 114.554 0.010 0.000 3.174 252 T HA 0.119 4.469 4.350 -0.001 0.000 0.269 252 T C 1.543 176.315 174.700 0.121 0.000 1.017 252 T CA -0.481 61.690 62.100 0.117 0.000 0.899 252 T CB -0.028 68.946 68.868 0.176 0.000 1.077 252 T HN -0.044 nan 8.240 nan 0.000 0.552 253 L N 1.171 122.433 121.223 0.065 0.000 2.051 253 L HA 0.046 4.386 4.340 -0.001 0.000 0.214 253 L C 1.496 178.354 176.870 -0.020 0.000 1.076 253 L CA 1.770 56.602 54.840 -0.014 0.000 0.758 253 L CB -1.265 40.693 42.059 -0.169 0.000 0.890 253 L HN 0.374 nan 8.230 nan 0.000 0.433 254 F N -0.342 119.590 119.950 -0.030 0.000 2.546 254 F HA 0.067 4.594 4.527 -0.001 0.000 0.298 254 F C 2.358 178.172 175.800 0.023 0.000 1.120 254 F CA 0.838 58.838 58.000 -0.001 0.000 1.456 254 F CB -1.145 37.853 39.000 -0.004 0.000 1.088 254 F HN 0.201 nan 8.300 nan 0.000 0.572 255 G N -0.264 108.648 108.800 0.187 0.000 2.623 255 G HA2 0.142 4.102 3.960 -0.001 0.000 0.214 255 G HA3 0.142 4.102 3.960 -0.001 0.000 0.214 255 G C 0.863 175.785 174.900 0.037 0.000 1.138 255 G CA 0.271 45.425 45.100 0.091 0.000 0.794 255 G HN 0.354 nan 8.290 nan 0.000 0.535 256 A N 1.358 124.210 122.820 0.052 0.000 2.513 256 A HA 0.401 4.721 4.320 -0.001 0.000 0.274 256 A C 1.587 179.206 177.584 0.059 0.000 1.115 256 A CA 0.948 53.002 52.037 0.028 0.000 0.792 256 A CB -0.212 18.904 19.000 0.193 0.000 1.053 256 A HN 0.451 nan 8.150 nan 0.000 0.515 257 T N -0.202 114.353 114.554 0.001 0.000 3.054 257 T HA 0.501 4.850 4.350 -0.001 0.000 0.255 257 T C -0.026 174.895 174.700 0.368 0.000 1.035 257 T CA 0.378 62.587 62.100 0.181 0.000 0.941 257 T CB -0.729 68.288 68.868 0.247 0.000 1.026 257 T HN 1.438 nan 8.240 nan 0.000 0.533 258 F N -0.885 119.069 119.950 0.007 0.000 2.767 258 F HA 0.575 5.102 4.527 -0.001 0.000 0.317 258 F C -2.135 173.605 175.800 -0.100 0.000 1.119 258 F CA -1.877 56.117 58.000 -0.011 0.000 0.971 258 F CB 0.477 39.463 39.000 -0.023 0.000 1.251 258 F HN -0.124 nan 8.300 nan 0.000 0.450 259 L N 2.671 123.921 121.223 0.044 0.000 2.375 259 L HA 0.920 5.259 4.340 -0.001 0.000 0.268 259 L C -0.686 176.181 176.870 -0.005 0.000 1.058 259 L CA -1.568 53.165 54.840 -0.178 0.000 0.803 259 L CB 1.794 43.683 42.059 -0.283 0.000 1.212 259 L HN 0.616 nan 8.230 nan 0.000 0.451 260 V N 2.697 122.527 119.914 -0.141 0.000 2.623 260 V HA 0.452 4.571 4.120 -0.001 0.000 0.304 260 V C -0.304 175.687 176.094 -0.172 0.000 1.054 260 V CA -0.482 61.747 62.300 -0.119 0.000 0.882 260 V CB 2.031 33.698 31.823 -0.260 0.000 1.002 260 V HN 0.496 nan 8.190 nan 0.000 0.424 261 L N 3.352 124.498 121.223 -0.128 0.000 2.325 261 L HA 0.814 5.153 4.340 -0.001 0.000 0.278 261 L C 0.732 177.587 176.870 -0.024 0.000 1.023 261 L CA -0.749 54.010 54.840 -0.134 0.000 0.811 261 L CB 1.850 43.784 42.059 -0.208 0.000 1.249 261 L HN 0.791 nan 8.230 nan 0.000 0.431 262 A N 3.500 126.371 122.820 0.085 0.000 2.511 262 A HA 0.262 4.581 4.320 -0.001 0.000 0.242 262 A C -1.693 175.969 177.584 0.129 0.000 1.069 262 A CA -0.908 51.215 52.037 0.144 0.000 0.763 262 A CB -0.117 19.066 19.000 0.304 0.000 1.001 262 A HN 0.634 nan 8.150 nan 0.000 0.498 263 P HA -0.142 nan 4.420 nan 0.000 0.221 263 P C 0.270 177.570 177.300 -0.000 0.000 1.141 263 P CA 1.509 64.667 63.100 0.097 0.000 0.794 263 P CB 0.205 31.957 31.700 0.087 0.000 0.764 264 E N -3.278 116.884 120.200 -0.063 0.000 2.501 264 E HA 0.027 4.377 4.350 -0.001 0.000 0.200 264 E C 0.476 176.724 176.600 -0.588 0.000 1.016 264 E CA -0.160 56.058 56.400 -0.303 0.000 0.921 264 E CB -0.506 28.980 29.700 -0.356 0.000 1.034 264 E HN 0.350 nan 8.360 nan 0.000 0.468 265 H N 0.919 119.805 119.070 -0.306 0.000 2.732 265 H HA 0.065 4.620 4.556 -0.001 0.000 0.351 265 H C -1.691 173.538 175.328 -0.164 0.000 1.090 265 H CA -1.727 54.212 56.048 -0.183 0.000 1.431 265 H CB 1.290 31.095 29.762 0.073 0.000 1.447 265 H HN -0.150 nan 8.280 nan 0.000 0.582 266 P HA -0.191 nan 4.420 nan 0.000 0.213 266 P C 1.738 179.101 177.300 0.105 0.000 1.176 266 P CA 1.484 64.531 63.100 -0.088 0.000 0.919 266 P CB 0.147 31.762 31.700 -0.141 0.000 0.791 267 L N -1.678 119.751 121.223 0.343 0.000 2.450 267 L HA -0.123 4.216 4.340 -0.001 0.000 0.224 267 L C 2.082 178.995 176.870 0.073 0.000 1.149 267 L CA 1.230 56.176 54.840 0.178 0.000 0.816 267 L CB -1.474 40.675 42.059 0.150 0.000 0.932 267 L HN 0.072 nan 8.230 nan 0.000 0.449 268 T N 0.264 114.875 114.554 0.095 0.000 2.849 268 T HA -0.153 4.196 4.350 -0.001 0.000 0.270 268 T C 1.854 176.535 174.700 -0.031 0.000 1.066 268 T CA 1.311 63.415 62.100 0.006 0.000 1.130 268 T CB -0.030 68.854 68.868 0.027 0.000 0.864 268 T HN 0.299 nan 8.240 nan 0.000 0.481 269 L N -0.497 120.714 121.223 -0.021 0.000 2.537 269 L HA 0.282 4.621 4.340 -0.001 0.000 0.224 269 L C 2.226 179.072 176.870 -0.040 0.000 1.065 269 L CA 0.380 55.196 54.840 -0.041 0.000 0.860 269 L CB 0.089 42.125 42.059 -0.038 0.000 1.086 269 L HN 0.126 nan 8.230 nan 0.000 0.482 270 E N 0.298 120.485 120.200 -0.021 0.000 2.494 270 E HA -0.010 4.339 4.350 -0.001 0.000 0.193 270 E C 1.513 178.100 176.600 -0.022 0.000 1.074 270 E CA 0.264 56.654 56.400 -0.017 0.000 0.867 270 E CB 0.374 30.074 29.700 -0.000 0.000 0.924 270 E HN 0.462 nan 8.360 nan 0.000 0.502 271 L N -0.806 120.392 121.223 -0.042 0.000 2.854 271 L HA 0.350 4.689 4.340 -0.001 0.000 0.249 271 L C 0.682 177.489 176.870 -0.105 0.000 1.091 271 L CA -0.129 54.678 54.840 -0.056 0.000 0.935 271 L CB 0.357 42.384 42.059 -0.052 0.000 1.367 271 L HN -0.034 nan 8.230 nan 0.000 0.524 272 A N 1.784 124.525 122.820 -0.131 0.000 2.537 272 A HA 0.444 4.764 4.320 -0.001 0.000 0.260 272 A C 0.738 178.227 177.584 -0.159 0.000 1.082 272 A CA 0.253 52.175 52.037 -0.192 0.000 0.765 272 A CB -0.169 18.725 19.000 -0.176 0.000 1.019 272 A HN 0.273 nan 8.150 nan 0.000 0.507 273 A N 5.243 127.948 122.820 -0.191 0.000 2.531 273 A HA 0.422 4.741 4.320 -0.001 0.000 0.236 273 A C -0.855 176.662 177.584 -0.113 0.000 1.062 273 A CA -0.611 51.347 52.037 -0.131 0.000 0.760 273 A CB -0.313 18.607 19.000 -0.133 0.000 0.995 273 A HN 0.657 nan 8.150 nan 0.000 0.501 274 P HA -0.229 nan 4.420 nan 0.000 0.218 274 P C 0.735 177.996 177.300 -0.066 0.000 1.154 274 P CA 2.006 65.070 63.100 -0.062 0.000 0.872 274 P CB 0.081 31.756 31.700 -0.043 0.000 0.790 275 E N -0.948 119.211 120.200 -0.068 0.000 2.338 275 E HA -0.130 4.219 4.350 -0.001 0.000 0.197 275 E C 1.568 178.115 176.600 -0.087 0.000 1.007 275 E CA 0.976 57.338 56.400 -0.064 0.000 0.849 275 E CB -0.433 29.236 29.700 -0.052 0.000 0.774 275 E HN 0.287 nan 8.360 nan 0.000 0.506 276 K N -0.237 120.087 120.400 -0.126 0.000 2.365 276 K HA 0.173 4.492 4.320 -0.001 0.000 0.195 276 K C 1.809 178.329 176.600 -0.134 0.000 1.079 276 K CA 0.064 56.253 56.287 -0.163 0.000 0.979 276 K CB 0.132 32.466 32.500 -0.276 0.000 0.929 276 K HN -0.089 nan 8.250 nan 0.000 0.523 277 R N 2.639 123.071 120.500 -0.114 0.000 2.198 277 R HA -0.198 4.141 4.340 -0.001 0.000 0.258 277 R C 1.880 178.142 176.300 -0.064 0.000 1.173 277 R CA 1.839 57.887 56.100 -0.086 0.000 0.991 277 R CB -0.275 29.984 30.300 -0.068 0.000 0.879 277 R HN 0.305 nan 8.270 nan 0.000 0.460 278 E N 0.010 120.176 120.200 -0.057 0.000 2.060 278 E HA -0.169 4.181 4.350 -0.001 0.000 0.189 278 E C 1.679 178.260 176.600 -0.031 0.000 0.974 278 E CA 1.132 57.510 56.400 -0.038 0.000 0.808 278 E CB -0.161 29.521 29.700 -0.031 0.000 0.768 278 E HN 0.587 nan 8.360 nan 0.000 0.453 279 E N 0.287 120.459 120.200 -0.047 0.000 2.153 279 E HA -0.132 4.218 4.350 -0.001 0.000 0.194 279 E C 2.123 178.710 176.600 -0.022 0.000 0.988 279 E CA 1.076 57.453 56.400 -0.038 0.000 0.811 279 E CB 0.244 29.899 29.700 -0.075 0.000 0.746 279 E HN 0.107 nan 8.360 nan 0.000 0.466 280 V N 1.202 121.083 119.914 -0.054 0.000 2.307 280 V HA -0.244 3.876 4.120 -0.001 0.000 0.245 280 V C 2.483 178.598 176.094 0.035 0.000 1.045 280 V CA 1.371 63.655 62.300 -0.027 0.000 1.024 280 V CB -0.425 31.349 31.823 -0.083 0.000 0.651 280 V HN 0.337 nan 8.190 nan 0.000 0.449 281 L N 0.026 121.250 121.223 0.002 0.000 2.127 281 L HA -0.205 4.135 4.340 -0.001 0.000 0.211 281 L C 2.637 179.519 176.870 0.021 0.000 1.089 281 L CA 1.456 56.298 54.840 0.003 0.000 0.757 281 L CB -0.654 41.396 42.059 -0.014 0.000 0.899 281 L HN 0.391 nan 8.230 nan 0.000 0.434 282 A N -0.716 122.127 122.820 0.037 0.000 1.855 282 A HA -0.278 4.041 4.320 -0.001 0.000 0.215 282 A C 2.152 179.785 177.584 0.081 0.000 1.191 282 A CA 1.592 53.659 52.037 0.049 0.000 0.613 282 A CB -0.849 18.183 19.000 0.053 0.000 0.829 282 A HN 0.466 nan 8.150 nan 0.000 0.442 283 Y N 0.451 120.746 120.300 -0.009 0.000 2.220 283 Y HA -0.101 4.449 4.550 -0.000 0.000 0.291 283 Y C 2.270 178.175 175.900 0.009 0.000 1.129 283 Y CA 1.663 59.768 58.100 0.008 0.000 1.161 283 Y CB -0.292 38.173 38.460 0.008 0.000 0.997 283 Y HN 0.043 nan 8.280 nan 0.000 0.522 284 V N 1.086 121.068 119.914 0.113 0.000 2.324 284 V HA -0.351 3.768 4.120 -0.001 0.000 0.250 284 V C 1.930 177.968 176.094 -0.093 0.000 1.060 284 V CA 2.542 64.847 62.300 0.008 0.000 1.042 284 V CB -0.602 31.241 31.823 0.034 0.000 0.650 284 V HN 0.495 nan 8.190 nan 0.000 0.450 285 E N -0.195 119.965 120.200 -0.066 0.000 2.371 285 E HA 0.055 4.404 4.350 -0.001 0.000 0.194 285 E C 2.184 178.731 176.600 -0.089 0.000 1.012 285 E CA 0.790 57.151 56.400 -0.065 0.000 0.860 285 E CB -0.169 29.509 29.700 -0.038 0.000 0.811 285 E HN 0.618 nan 8.360 nan 0.000 0.502 286 A N 1.631 124.369 122.820 -0.137 0.000 1.897 286 A HA 0.026 4.346 4.320 -0.001 0.000 0.215 286 A C 2.395 179.860 177.584 -0.200 0.000 1.181 286 A CA 1.304 53.254 52.037 -0.145 0.000 0.620 286 A CB -0.407 18.509 19.000 -0.140 0.000 0.821 286 A HN 0.267 nan 8.150 nan 0.000 0.443 287 A N -0.181 122.426 122.820 -0.356 0.000 2.015 287 A HA -0.103 4.216 4.320 -0.001 0.000 0.219 287 A C 2.063 179.582 177.584 -0.108 0.000 1.163 287 A CA 1.830 53.699 52.037 -0.280 0.000 0.646 287 A CB -0.377 18.394 19.000 -0.381 0.000 0.806 287 A HN 0.573 nan 8.150 nan 0.000 0.448 288 K N -0.472 119.873 120.400 -0.092 0.000 1.973 288 K HA -0.152 4.167 4.320 -0.001 0.000 0.210 288 K C 1.989 178.586 176.600 -0.005 0.000 1.045 288 K CA 1.459 57.727 56.287 -0.032 0.000 0.937 288 K CB -0.180 32.298 32.500 -0.036 0.000 0.721 288 K HN 0.213 nan 8.250 nan 0.000 0.438 289 R N 1.233 121.725 120.500 -0.014 0.000 2.341 289 R HA 0.001 4.340 4.340 -0.001 0.000 0.213 289 R C 0.346 176.660 176.300 0.023 0.000 1.082 289 R CA 0.571 56.676 56.100 0.009 0.000 1.017 289 R CB -0.156 30.145 30.300 0.002 0.000 0.860 289 R HN 0.102 nan 8.270 nan 0.000 0.473 290 K N 1.745 122.152 120.400 0.012 0.000 2.316 290 K HA 0.021 4.341 4.320 -0.001 0.000 0.289 290 K C -0.479 176.156 176.600 0.059 0.000 1.070 290 K CA -0.067 56.239 56.287 0.032 0.000 0.928 290 K CB 0.589 33.099 32.500 0.017 0.000 1.039 290 K HN 0.065 nan 8.250 nan 0.000 0.480 291 T N 0.999 115.597 114.554 0.073 0.000 2.898 291 T HA 0.045 4.394 4.350 -0.001 0.000 0.301 291 T C 1.191 175.948 174.700 0.096 0.000 1.049 291 T CA -0.760 61.396 62.100 0.092 0.000 1.095 291 T CB 1.243 70.169 68.868 0.097 0.000 0.976 291 T HN 0.562 nan 8.240 nan 0.000 0.539 292 E N 0.874 121.139 120.200 0.108 0.000 2.114 292 E HA -0.152 4.198 4.350 -0.001 0.000 0.199 292 E C 1.910 178.571 176.600 0.102 0.000 1.008 292 E CA 1.363 57.829 56.400 0.109 0.000 0.810 292 E CB -0.270 29.502 29.700 0.120 0.000 0.739 292 E HN 0.812 nan 8.360 nan 0.000 0.456 293 I N 0.643 121.272 120.570 0.099 0.000 2.208 293 I HA -0.269 3.901 4.170 -0.001 0.000 0.245 293 I C 2.258 178.425 176.117 0.083 0.000 1.097 293 I CA 1.212 62.566 61.300 0.090 0.000 1.363 293 I CB -0.302 37.750 38.000 0.087 0.000 1.051 293 I HN 0.109 nan 8.210 nan 0.000 0.413 294 E N 0.319 120.568 120.200 0.083 0.000 2.106 294 E HA -0.188 4.162 4.350 -0.001 0.000 0.192 294 E C 2.346 178.998 176.600 0.086 0.000 0.984 294 E CA 0.719 57.166 56.400 0.078 0.000 0.806 294 E CB -0.011 29.733 29.700 0.072 0.000 0.750 294 E HN 0.376 nan 8.360 nan 0.000 0.458 295 R N 0.802 121.358 120.500 0.094 0.000 2.061 295 R HA -0.104 4.235 4.340 -0.001 0.000 0.230 295 R C 2.107 178.471 176.300 0.107 0.000 1.140 295 R CA 1.253 57.419 56.100 0.109 0.000 0.940 295 R CB -0.120 30.251 30.300 0.118 0.000 0.839 295 R HN 0.174 nan 8.270 nan 0.000 0.429 296 Q N -0.646 119.213 119.800 0.098 0.000 2.561 296 Q HA -0.061 4.279 4.340 -0.001 0.000 0.217 296 Q C 1.045 177.092 176.000 0.078 0.000 0.980 296 Q CA 0.747 56.603 55.803 0.088 0.000 0.927 296 Q CB 0.265 29.053 28.738 0.084 0.000 0.980 296 Q HN 0.316 nan 8.270 nan 0.000 0.525 297 A N -0.082 122.786 122.820 0.079 0.000 2.348 297 A HA 0.036 4.355 4.320 -0.001 0.000 0.224 297 A C 1.209 178.835 177.584 0.070 0.000 1.227 297 A CA -0.107 51.971 52.037 0.069 0.000 0.885 297 A CB 0.335 19.375 19.000 0.066 0.000 0.933 297 A HN 0.244 nan 8.150 nan 0.000 0.506 298 E N -0.767 119.483 120.200 0.083 0.000 2.400 298 E HA 0.265 4.615 4.350 -0.001 0.000 0.195 298 E C 1.574 178.219 176.600 0.076 0.000 1.012 298 E CA 0.282 56.734 56.400 0.087 0.000 0.875 298 E CB 0.111 29.882 29.700 0.117 0.000 0.859 298 E HN 0.591 nan 8.360 nan 0.000 0.498 299 G N 2.858 111.701 108.800 0.071 0.000 2.889 299 G HA2 -0.430 3.529 3.960 -0.001 0.000 0.308 299 G HA3 -0.430 3.529 3.960 -0.001 0.000 0.308 299 G C 0.992 175.928 174.900 0.060 0.000 1.248 299 G CA 0.683 45.817 45.100 0.058 0.000 0.982 299 G HN 0.368 nan 8.290 nan 0.000 0.571 300 R N 0.461 120.992 120.500 0.051 0.000 2.509 300 R HA 0.368 4.708 4.340 -0.001 0.000 0.297 300 R C 0.252 176.585 176.300 0.055 0.000 0.951 300 R CA 0.129 56.258 56.100 0.048 0.000 1.103 300 R CB 0.498 30.816 30.300 0.029 0.000 1.283 300 R HN 0.360 nan 8.270 nan 0.000 0.534 301 E N 2.711 122.945 120.200 0.056 0.000 2.594 301 E HA 0.094 4.443 4.350 -0.001 0.000 0.300 301 E C -0.661 176.017 176.600 0.131 0.000 1.568 301 E CA 0.133 56.560 56.400 0.044 0.000 1.811 301 E CB 0.266 29.985 29.700 0.033 0.000 1.458 301 E HN 0.227 nan 8.360 nan 0.000 0.470 302 K N 0.755 121.278 120.400 0.204 0.000 2.397 302 K HA 0.029 4.349 4.320 -0.001 0.000 0.265 302 K C 0.842 177.734 176.600 0.486 0.000 0.982 302 K CA 0.281 56.790 56.287 0.370 0.000 0.931 302 K CB 0.365 33.168 32.500 0.505 0.000 0.943 302 K HN 0.149 nan 8.250 nan 0.000 0.501 303 T N -1.774 113.111 114.554 0.552 0.000 2.952 303 T HA 0.804 5.153 4.350 -0.001 0.000 0.286 303 T C 0.205 175.217 174.700 0.521 0.000 1.024 303 T CA -0.743 61.704 62.100 0.578 0.000 1.029 303 T CB 1.861 71.065 68.868 0.559 0.000 1.094 303 T HN 0.622 nan 8.240 nan 0.000 0.515 304 G N -0.666 108.174 108.800 0.067 0.000 2.547 304 G HA2 0.553 4.513 3.960 -0.001 0.000 0.291 304 G HA3 0.553 4.513 3.960 -0.001 0.000 0.291 304 G C -2.040 172.647 174.900 -0.355 0.000 1.471 304 G CA -0.691 44.334 45.100 -0.124 0.000 0.798 304 G HN 0.919 nan 8.290 nan 0.000 0.504 305 V N 0.662 120.408 119.914 -0.281 0.000 2.808 305 V HA 0.504 4.624 4.120 -0.001 0.000 0.308 305 V C -1.214 174.416 176.094 -0.774 0.000 1.099 305 V CA -0.793 61.203 62.300 -0.506 0.000 0.920 305 V CB 2.002 33.494 31.823 -0.552 0.000 1.014 305 V HN 0.831 nan 8.190 nan 0.000 0.425 306 F N 4.680 123.689 119.950 -1.568 0.000 2.444 306 F HA 0.427 4.953 4.527 -0.001 0.000 0.360 306 F C 1.008 176.316 175.800 -0.820 0.000 1.106 306 F CA -0.536 56.423 58.000 -1.734 0.000 1.170 306 F CB 0.390 38.339 39.000 -1.752 0.000 1.113 306 F HN 0.469 nan 8.300 nan 0.000 0.521 307 L N 4.735 125.321 121.223 -1.062 0.000 1.955 307 L HA -0.050 4.290 4.340 -0.001 0.000 0.213 307 L C 1.850 178.074 176.870 -1.077 0.000 1.072 307 L CA 1.652 55.996 54.840 -0.826 0.000 0.755 307 L CB -0.932 40.827 42.059 -0.500 0.000 0.888 307 L HN 0.936 nan 8.230 nan 0.000 0.432 308 G N -1.696 106.142 108.800 -1.603 0.000 2.200 308 G HA2 0.089 4.048 3.960 -0.001 0.000 0.145 308 G HA3 0.089 4.048 3.960 -0.001 0.000 0.145 308 G C -0.141 174.504 174.900 -0.425 0.000 1.021 308 G CA -0.197 44.253 45.100 -1.083 0.000 0.720 308 G HN 0.617 nan 8.290 nan 0.000 0.494 309 A N -0.598 121.993 122.820 -0.382 0.000 2.386 309 A HA 0.987 5.307 4.320 -0.001 0.000 0.308 309 A C -1.060 176.555 177.584 0.051 0.000 1.128 309 A CA -0.850 51.184 52.037 -0.005 0.000 0.789 309 A CB 1.535 20.515 19.000 -0.033 0.000 1.325 309 A HN 0.672 nan 8.150 nan 0.000 0.437 310 Y N -1.228 119.144 120.300 0.119 0.000 2.605 310 Y HA 0.744 5.294 4.550 -0.001 0.000 0.343 310 Y C 0.462 176.438 175.900 0.127 0.000 1.036 310 Y CA -0.189 58.008 58.100 0.162 0.000 1.065 310 Y CB 2.233 40.784 38.460 0.152 0.000 1.288 310 Y HN 1.003 nan 8.280 nan 0.000 0.481 311 A N 1.128 124.140 122.820 0.320 0.000 2.479 311 A HA 0.829 5.149 4.320 -0.001 0.000 0.296 311 A C -2.139 175.601 177.584 0.259 0.000 1.121 311 A CA -0.721 51.469 52.037 0.255 0.000 0.743 311 A CB 1.376 20.525 19.000 0.247 0.000 1.323 311 A HN 0.522 nan 8.150 nan 0.000 0.415 312 L N 2.139 123.485 121.223 0.206 0.000 2.296 312 L HA 0.339 4.678 4.340 -0.001 0.000 0.286 312 L C 0.189 177.102 176.870 0.072 0.000 1.023 312 L CA -0.460 54.459 54.840 0.132 0.000 0.812 312 L CB 1.067 43.165 42.059 0.065 0.000 1.223 312 L HN 0.831 nan 8.230 nan 0.000 0.421 313 N N 6.851 125.580 118.700 0.048 0.000 2.406 313 N HA 0.025 4.765 4.740 -0.001 0.000 0.274 313 N C -1.469 173.877 175.510 -0.273 0.000 1.249 313 N CA -1.005 51.964 53.050 -0.136 0.000 0.951 313 N CB 1.088 39.560 38.487 -0.024 0.000 1.241 313 N HN 0.358 nan 8.380 nan 0.000 0.485 314 P HA -0.142 nan 4.420 nan 0.000 0.231 314 P C 0.437 177.638 177.300 -0.165 0.000 1.154 314 P CA 0.820 63.751 63.100 -0.281 0.000 0.762 314 P CB 0.365 31.850 31.700 -0.359 0.000 0.790 315 A N 0.207 122.839 122.820 -0.313 0.000 1.938 315 A HA 0.028 4.348 4.320 -0.001 0.000 0.207 315 A C 2.270 179.680 177.584 -0.290 0.000 1.292 315 A CA 1.648 53.403 52.037 -0.471 0.000 0.700 315 A CB -1.084 17.191 19.000 -1.208 0.000 0.947 315 A HN 0.319 nan 8.150 nan 0.000 0.476 316 T N -4.916 109.514 114.554 -0.207 0.000 3.010 316 T HA 0.403 4.753 4.350 -0.001 0.000 0.252 316 T C 1.520 176.233 174.700 0.023 0.000 1.047 316 T CA 1.460 63.563 62.100 0.005 0.000 1.140 316 T CB 0.191 69.100 68.868 0.069 0.000 0.885 316 T HN 1.766 nan 8.240 nan 0.000 0.464 317 G N 1.999 110.794 108.800 -0.007 0.000 2.179 317 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.220 317 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.220 317 G C -0.109 174.815 174.900 0.040 0.000 0.990 317 G CA 0.081 45.190 45.100 0.014 0.000 0.646 317 G HN 0.977 nan 8.290 nan 0.000 0.517 318 E N 0.754 120.988 120.200 0.056 0.000 2.390 318 E HA 0.453 4.802 4.350 -0.001 0.000 0.261 318 E C -0.107 176.561 176.600 0.113 0.000 1.076 318 E CA -0.520 55.927 56.400 0.078 0.000 0.905 318 E CB 0.953 30.706 29.700 0.088 0.000 0.984 318 E HN 0.394 nan 8.360 nan 0.000 0.427 319 R N 1.994 122.566 120.500 0.121 0.000 2.248 319 R HA 0.292 4.631 4.340 -0.001 0.000 0.328 319 R C 0.062 176.542 176.300 0.299 0.000 1.067 319 R CA -0.212 56.003 56.100 0.191 0.000 0.924 319 R CB 0.102 30.464 30.300 0.103 0.000 1.013 319 R HN 0.498 nan 8.270 nan 0.000 0.454 320 I N 1.032 121.799 120.570 0.327 0.000 2.437 320 I HA 0.552 4.722 4.170 -0.001 0.000 0.298 320 I C -2.253 174.048 176.117 0.307 0.000 0.984 320 I CA -3.160 58.329 61.300 0.315 0.000 1.214 320 I CB 1.750 39.918 38.000 0.279 0.000 1.365 320 I HN 0.324 nan 8.210 nan 0.000 0.469 321 P HA 0.307 nan 4.420 nan 0.000 0.274 321 P C -0.787 176.664 177.300 0.251 0.000 1.231 321 P CA -0.037 63.022 63.100 -0.069 0.000 0.790 321 P CB 1.403 32.923 31.700 -0.300 0.000 0.951 322 I N 1.708 122.446 120.570 0.279 0.000 2.362 322 I HA 0.333 4.503 4.170 -0.001 0.000 0.289 322 I C -0.137 176.133 176.117 0.255 0.000 0.994 322 I CA -0.483 60.957 61.300 0.234 0.000 1.158 322 I CB 0.891 38.923 38.000 0.053 0.000 1.315 322 I HN 0.315 nan 8.210 nan 0.000 0.451 323 W N 3.608 124.943 121.300 0.059 0.000 2.758 323 W HA 0.655 5.315 4.660 -0.001 0.000 0.355 323 W C 0.206 176.671 176.519 -0.090 0.000 1.223 323 W CA -0.585 56.768 57.345 0.013 0.000 1.182 323 W CB 1.335 30.813 29.460 0.029 0.000 1.464 323 W HN 0.194 nan 8.180 nan 0.000 0.630 324 T N 0.559 115.210 114.554 0.161 0.000 3.032 324 T HA 0.743 5.093 4.350 -0.001 0.000 0.312 324 T C -1.648 173.085 174.700 0.055 0.000 1.078 324 T CA -0.423 61.703 62.100 0.043 0.000 1.028 324 T CB 0.515 69.394 68.868 0.019 0.000 1.091 324 T HN 0.716 nan 8.240 nan 0.000 0.457 325 A N 3.471 126.308 122.820 0.027 0.000 2.520 325 A HA 0.595 4.915 4.320 -0.001 0.000 0.298 325 A C 0.622 178.272 177.584 0.110 0.000 1.051 325 A CA -0.482 51.633 52.037 0.131 0.000 0.690 325 A CB 1.319 20.312 19.000 -0.011 0.000 1.281 325 A HN 0.900 nan 8.150 nan 0.000 0.402 326 D N 0.662 121.255 120.400 0.322 0.000 2.221 326 D HA -0.285 4.354 4.640 -0.001 0.000 0.204 326 D C 1.134 177.549 176.300 0.191 0.000 0.982 326 D CA 2.077 56.203 54.000 0.210 0.000 0.857 326 D CB -0.650 40.266 40.800 0.194 0.000 0.934 326 D HN 0.783 nan 8.370 nan 0.000 0.475 327 Y N 0.924 121.339 120.300 0.192 0.000 2.569 327 Y HA 0.118 4.667 4.550 -0.001 0.000 0.293 327 Y C 0.118 176.086 175.900 0.113 0.000 1.144 327 Y CA -0.311 57.877 58.100 0.146 0.000 1.321 327 Y CB -0.722 37.830 38.460 0.154 0.000 0.982 327 Y HN -0.139 nan 8.280 nan 0.000 0.558 328 V N 3.407 123.222 119.914 -0.165 0.000 2.439 328 V HA 0.203 4.322 4.120 -0.001 0.000 0.282 328 V C 0.061 176.202 176.094 0.078 0.000 1.039 328 V CA -1.082 61.160 62.300 -0.096 0.000 0.913 328 V CB 1.444 33.123 31.823 -0.241 0.000 0.983 328 V HN 0.175 nan 8.190 nan 0.000 0.460 329 L N 4.689 125.997 121.223 0.142 0.000 2.260 329 L HA 0.316 4.655 4.340 -0.001 0.000 0.289 329 L C 1.027 178.007 176.870 0.182 0.000 1.057 329 L CA -0.346 54.596 54.840 0.170 0.000 0.811 329 L CB 0.518 42.678 42.059 0.169 0.000 1.184 329 L HN 0.659 nan 8.230 nan 0.000 0.429 330 F N 3.098 123.093 119.950 0.076 0.000 2.202 330 F HA -0.086 4.440 4.527 -0.001 0.000 0.301 330 F C 1.916 177.749 175.800 0.056 0.000 1.082 330 F CA 1.568 59.608 58.000 0.067 0.000 1.313 330 F CB 0.035 39.063 39.000 0.047 0.000 1.024 330 F HN 0.537 nan 8.300 nan 0.000 0.495 331 G N -1.652 107.110 108.800 -0.064 0.000 2.848 331 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.208 331 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.208 331 G C 0.079 174.946 174.900 -0.055 0.000 1.152 331 G CA -0.102 44.909 45.100 -0.149 0.000 0.789 331 G HN 0.460 nan 8.290 nan 0.000 0.531 332 Y N 0.004 120.205 120.300 -0.164 0.000 2.387 332 Y HA 0.414 4.963 4.550 -0.000 0.000 0.336 332 Y C 1.417 177.230 175.900 -0.146 0.000 1.067 332 Y CA -0.370 57.644 58.100 -0.143 0.000 1.114 332 Y CB 1.547 39.962 38.460 -0.075 0.000 1.208 332 Y HN 0.301 nan 8.280 nan 0.000 0.458 333 G N 2.727 111.236 108.800 -0.485 0.000 3.024 333 G HA2 -0.464 3.495 3.960 -0.001 0.000 0.339 333 G HA3 -0.464 3.495 3.960 -0.001 0.000 0.339 333 G C 0.658 175.392 174.900 -0.276 0.000 1.200 333 G CA 1.424 46.191 45.100 -0.556 0.000 0.968 333 G HN 1.319 nan 8.290 nan 0.000 0.593 334 T N -2.969 111.483 114.554 -0.170 0.000 3.475 334 T HA 0.557 4.907 4.350 -0.001 0.000 0.310 334 T C 2.130 176.835 174.700 0.008 0.000 0.963 334 T CA 1.370 63.418 62.100 -0.086 0.000 0.985 334 T CB 0.406 69.271 68.868 -0.004 0.000 1.198 334 T HN 2.616 nan 8.240 nan 0.000 0.508 335 G N 1.019 109.802 108.800 -0.027 0.000 2.205 335 G HA2 0.010 3.969 3.960 -0.001 0.000 0.269 335 G HA3 0.010 3.969 3.960 -0.001 0.000 0.269 335 G C 0.292 175.297 174.900 0.174 0.000 0.977 335 G CA 0.058 45.256 45.100 0.163 0.000 0.652 335 G HN 1.582 nan 8.290 nan 0.000 0.539 336 A N -0.659 122.184 122.820 0.038 0.000 2.414 336 A HA 0.920 5.240 4.320 -0.001 0.000 0.306 336 A C -0.465 177.048 177.584 -0.117 0.000 1.054 336 A CA -0.240 51.744 52.037 -0.088 0.000 0.724 336 A CB 1.459 20.369 19.000 -0.150 0.000 1.267 336 A HN 1.752 nan 8.150 nan 0.000 0.418 337 I N -0.694 119.768 120.570 -0.180 0.000 2.686 337 I HA 0.694 4.864 4.170 -0.001 0.000 0.295 337 I C -0.371 175.560 176.117 -0.309 0.000 1.114 337 I CA -0.963 60.221 61.300 -0.194 0.000 1.038 337 I CB 2.117 40.041 38.000 -0.127 0.000 1.238 337 I HN 0.730 nan 8.210 nan 0.000 0.420 338 M N 3.913 123.313 119.600 -0.334 0.000 2.120 338 M HA 0.829 5.309 4.480 -0.001 0.000 0.354 338 M C -0.287 175.797 176.300 -0.361 0.000 1.287 338 M CA -0.233 54.806 55.300 -0.434 0.000 1.103 338 M CB 1.178 33.589 32.600 -0.315 0.000 1.623 338 M HN 0.786 nan 8.290 nan 0.000 0.471 339 A N 4.036 126.519 122.820 -0.561 0.000 2.320 339 A HA 0.598 4.917 4.320 -0.001 0.000 0.287 339 A C -0.114 177.138 177.584 -0.554 0.000 1.181 339 A CA -0.687 50.917 52.037 -0.722 0.000 0.831 339 A CB 0.474 18.460 19.000 -1.690 0.000 1.102 339 A HN 0.826 nan 8.150 nan 0.000 0.513 340 V N 5.793 125.530 119.914 -0.295 0.000 2.361 340 V HA 0.165 4.284 4.120 -0.001 0.000 0.252 340 V C -1.871 174.161 176.094 -0.103 0.000 0.986 340 V CA -0.778 61.424 62.300 -0.164 0.000 1.033 340 V CB 0.818 32.600 31.823 -0.070 0.000 1.282 340 V HN 0.743 nan 8.190 nan 0.000 0.514 341 P HA -0.293 nan 4.420 nan 0.000 0.219 341 P C 1.758 179.115 177.300 0.095 0.000 1.153 341 P CA 2.192 65.322 63.100 0.051 0.000 0.865 341 P CB 0.306 32.032 31.700 0.044 0.000 0.788 342 A N -1.318 121.454 122.820 -0.080 0.000 2.024 342 A HA -0.191 4.129 4.320 -0.001 0.000 0.220 342 A C 1.153 178.597 177.584 -0.234 0.000 1.164 342 A CA 1.601 53.503 52.037 -0.224 0.000 0.643 342 A CB -1.069 17.587 19.000 -0.574 0.000 0.806 342 A HN 0.294 nan 8.150 nan 0.000 0.451 343 H N -1.383 117.745 119.070 0.096 0.000 2.637 343 H HA 0.323 4.879 4.556 -0.001 0.000 0.245 343 H C -1.167 174.161 175.328 0.001 0.000 1.190 343 H CA -0.394 55.680 56.048 0.043 0.000 0.934 343 H CB 0.256 30.031 29.762 0.022 0.000 1.950 343 H HN 0.431 nan 8.280 nan 0.000 0.614 344 D N 0.986 121.455 120.400 0.114 0.000 2.419 344 D HA -0.007 4.633 4.640 -0.001 0.000 0.219 344 D C 0.733 177.086 176.300 0.088 0.000 1.349 344 D CA -0.222 53.815 54.000 0.062 0.000 0.964 344 D CB 1.650 42.467 40.800 0.028 0.000 1.463 344 D HN -0.068 nan 8.370 nan 0.000 0.573 345 Q N 2.709 122.537 119.800 0.047 0.000 2.248 345 Q HA -0.137 4.203 4.340 -0.001 0.000 0.208 345 Q C 1.846 177.891 176.000 0.075 0.000 0.984 345 Q CA 1.608 57.441 55.803 0.049 0.000 0.875 345 Q CB 0.023 28.748 28.738 -0.022 0.000 0.910 345 Q HN 0.526 nan 8.270 nan 0.000 0.433 346 R N -0.335 120.171 120.500 0.010 0.000 2.062 346 R HA -0.121 4.219 4.340 -0.001 0.000 0.229 346 R C 1.051 177.321 176.300 -0.049 0.000 1.128 346 R CA 1.695 57.749 56.100 -0.076 0.000 0.960 346 R CB -0.087 30.107 30.300 -0.177 0.000 0.855 346 R HN 0.274 nan 8.270 nan 0.000 0.432 347 D N -0.280 120.124 120.400 0.007 0.000 2.097 347 D HA -0.181 4.459 4.640 -0.001 0.000 0.197 347 D C 1.603 178.034 176.300 0.218 0.000 0.984 347 D CA 1.081 55.144 54.000 0.105 0.000 0.826 347 D CB -0.610 40.199 40.800 0.014 0.000 0.973 347 D HN 0.238 nan 8.370 nan 0.000 0.460 348 Y N 1.860 122.202 120.300 0.071 0.000 2.069 348 Y HA -0.286 4.263 4.550 -0.001 0.000 0.278 348 Y C 2.121 178.064 175.900 0.071 0.000 1.175 348 Y CA 2.056 60.197 58.100 0.068 0.000 1.134 348 Y CB -0.362 38.116 38.460 0.029 0.000 0.965 348 Y HN -0.036 nan 8.280 nan 0.000 0.498 349 E N -0.715 119.682 120.200 0.328 0.000 2.118 349 E HA -0.237 4.112 4.350 -0.001 0.000 0.195 349 E C 2.009 178.638 176.600 0.049 0.000 0.992 349 E CA 1.535 58.047 56.400 0.188 0.000 0.804 349 E CB -0.511 29.272 29.700 0.138 0.000 0.741 349 E HN 0.560 nan 8.360 nan 0.000 0.458 350 F N 0.930 120.877 119.950 -0.005 0.000 2.075 350 F HA -0.215 4.311 4.527 -0.001 0.000 0.297 350 F C 2.182 177.953 175.800 -0.050 0.000 1.113 350 F CA 1.529 59.558 58.000 0.049 0.000 1.218 350 F CB -0.478 38.651 39.000 0.215 0.000 0.984 350 F HN 0.005 nan 8.300 nan 0.000 0.472 351 A N 0.560 123.497 122.820 0.194 0.000 1.873 351 A HA -0.268 4.052 4.320 -0.001 0.000 0.218 351 A C 2.380 179.808 177.584 -0.260 0.000 1.193 351 A CA 1.920 53.930 52.037 -0.045 0.000 0.629 351 A CB -0.914 18.106 19.000 0.034 0.000 0.826 351 A HN 0.402 nan 8.150 nan 0.000 0.447 352 R N -0.605 119.700 120.500 -0.326 0.000 2.237 352 R HA -0.069 4.270 4.340 -0.001 0.000 0.219 352 R C 2.089 178.195 176.300 -0.323 0.000 1.080 352 R CA 1.411 57.319 56.100 -0.319 0.000 0.995 352 R CB -0.184 29.929 30.300 -0.311 0.000 0.875 352 R HN 0.655 nan 8.270 nan 0.000 0.462 353 K N -0.725 119.397 120.400 -0.462 0.000 2.211 353 K HA -0.027 4.292 4.320 -0.001 0.000 0.201 353 K C 0.181 176.246 176.600 -0.893 0.000 1.052 353 K CA 0.766 56.626 56.287 -0.711 0.000 0.973 353 K CB 0.296 32.192 32.500 -1.006 0.000 0.766 353 K HN -0.017 nan 8.250 nan 0.000 0.466 354 F N 0.780 120.433 119.950 -0.496 0.000 2.923 354 F HA 0.324 4.851 4.527 -0.001 0.000 0.314 354 F C 0.680 176.266 175.800 -0.357 0.000 1.196 354 F CA -0.373 57.349 58.000 -0.462 0.000 1.320 354 F CB 0.749 39.246 39.000 -0.837 0.000 0.953 354 F HN 0.108 nan 8.300 nan 0.000 0.505 355 G N 1.697 110.387 108.800 -0.184 0.000 2.421 355 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.300 355 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.300 355 G C 0.023 174.823 174.900 -0.167 0.000 0.974 355 G CA 0.136 45.150 45.100 -0.143 0.000 1.062 355 G HN 0.397 nan 8.290 nan 0.000 0.514 356 L N -0.581 120.489 121.223 -0.256 0.000 2.352 356 L HA 0.472 4.811 4.340 -0.001 0.000 0.269 356 L C -1.752 175.032 176.870 -0.144 0.000 1.034 356 L CA -2.456 52.202 54.840 -0.303 0.000 0.806 356 L CB 1.372 43.004 42.059 -0.712 0.000 1.244 356 L HN -0.087 nan 8.230 nan 0.000 0.447 357 P HA 0.199 nan 4.420 nan 0.000 0.268 357 P C -0.987 176.353 177.300 0.066 0.000 1.204 357 P CA 0.263 63.377 63.100 0.024 0.000 0.768 357 P CB 0.466 32.207 31.700 0.068 0.000 0.842 358 I N 2.970 123.548 120.570 0.013 0.000 2.418 358 I HA 0.401 4.570 4.170 -0.001 0.000 0.287 358 I C 0.228 176.349 176.117 0.006 0.000 1.008 358 I CA -0.657 60.642 61.300 -0.002 0.000 1.104 358 I CB 1.820 39.782 38.000 -0.062 0.000 1.264 358 I HN 0.196 nan 8.210 nan 0.000 0.438 359 K N 7.316 127.711 120.400 -0.008 0.000 2.579 359 K HA 0.314 4.634 4.320 -0.001 0.000 0.250 359 K C -0.803 175.767 176.600 -0.051 0.000 0.952 359 K CA -0.752 55.534 56.287 -0.002 0.000 0.857 359 K CB 1.698 34.220 32.500 0.038 0.000 1.123 359 K HN 0.551 nan 8.250 nan 0.000 0.433 360 K N 3.453 123.841 120.400 -0.021 0.000 2.368 360 K HA 0.102 4.421 4.320 -0.001 0.000 0.282 360 K C 0.275 176.948 176.600 0.121 0.000 1.035 360 K CA -0.022 56.275 56.287 0.017 0.000 0.973 360 K CB 0.770 33.322 32.500 0.087 0.000 0.957 360 K HN 0.478 nan 8.250 nan 0.000 0.474 361 V N 2.162 122.268 119.914 0.321 0.000 3.372 361 V HA 0.358 4.477 4.120 -0.001 0.000 0.304 361 V C -0.369 175.854 176.094 0.216 0.000 1.530 361 V CA -0.595 61.841 62.300 0.227 0.000 1.080 361 V CB 0.330 32.269 31.823 0.194 0.000 0.929 361 V HN 0.507 nan 8.190 nan 0.000 0.455 362 I N 1.745 122.494 120.570 0.299 0.000 2.468 362 I HA 0.663 4.833 4.170 -0.001 0.000 0.285 362 I C -0.784 175.351 176.117 0.031 0.000 1.039 362 I CA -0.207 61.089 61.300 -0.006 0.000 1.074 362 I CB 1.876 39.611 38.000 -0.441 0.000 1.228 362 I HN 0.216 nan 8.210 nan 0.000 0.436 363 E N 5.645 125.830 120.200 -0.024 0.000 2.166 363 E HA 0.341 4.691 4.350 -0.001 0.000 0.275 363 E C -0.197 176.290 176.600 -0.188 0.000 0.941 363 E CA -0.684 55.654 56.400 -0.104 0.000 0.784 363 E CB 1.346 31.004 29.700 -0.071 0.000 1.115 363 E HN 0.434 nan 8.360 nan 0.000 0.399 364 R N 4.878 125.121 120.500 -0.429 0.000 2.449 364 R HA 0.203 4.543 4.340 -0.001 0.000 0.296 364 R C -2.046 174.140 176.300 -0.191 0.000 1.047 364 R CA -1.299 54.519 56.100 -0.470 0.000 1.018 364 R CB 0.213 30.063 30.300 -0.750 0.000 0.962 364 R HN 0.347 nan 8.270 nan 0.000 0.428 365 P HA 0.059 nan 4.420 nan 0.000 0.267 365 P C 0.246 177.513 177.300 -0.054 0.000 1.209 365 P CA 0.960 64.030 63.100 -0.051 0.000 0.763 365 P CB 1.177 32.868 31.700 -0.016 0.000 0.816 366 G N 3.120 111.890 108.800 -0.050 0.000 3.226 366 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.270 366 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.270 366 G C -0.135 174.732 174.900 -0.055 0.000 1.592 366 G CA -0.458 44.615 45.100 -0.044 0.000 1.055 366 G HN 0.538 nan 8.290 nan 0.000 0.582 367 E N 3.677 123.842 120.200 -0.059 0.000 2.159 367 E HA 0.393 4.743 4.350 -0.001 0.000 0.272 367 E C -1.904 174.639 176.600 -0.094 0.000 1.138 367 E CA -1.292 55.070 56.400 -0.063 0.000 0.915 367 E CB 0.480 30.148 29.700 -0.052 0.000 1.028 367 E HN 0.162 nan 8.360 nan 0.000 0.423 368 P HA -0.054 nan 4.420 nan 0.000 0.269 368 P C -0.230 177.006 177.300 -0.107 0.000 1.211 368 P CA 0.183 63.227 63.100 -0.095 0.000 0.781 368 P CB 0.479 32.142 31.700 -0.061 0.000 0.877 369 L N 4.167 125.317 121.223 -0.122 0.000 2.360 369 L HA 0.227 4.566 4.340 -0.001 0.000 0.276 369 L C -1.543 175.300 176.870 -0.045 0.000 1.121 369 L CA -1.787 52.990 54.840 -0.105 0.000 0.845 369 L CB -0.009 41.986 42.059 -0.105 0.000 1.143 369 L HN 0.285 nan 8.230 nan 0.000 0.452 370 P HA 0.003 nan 4.420 nan 0.000 0.260 370 P C -0.726 176.579 177.300 0.009 0.000 1.207 370 P CA -0.082 63.013 63.100 -0.009 0.000 0.780 370 P CB 0.771 32.467 31.700 -0.006 0.000 0.789 371 E N 5.307 125.512 120.200 0.008 0.000 2.174 371 E HA 0.345 4.695 4.350 -0.001 0.000 0.282 371 E C -1.775 174.836 176.600 0.018 0.000 0.992 371 E CA -2.275 54.136 56.400 0.019 0.000 0.803 371 E CB 0.290 29.997 29.700 0.012 0.000 1.090 371 E HN 0.382 nan 8.360 nan 0.000 0.396 372 P HA 0.184 nan 4.420 nan 0.000 0.279 372 P C -0.806 176.535 177.300 0.068 0.000 1.239 372 P CA -0.551 62.576 63.100 0.045 0.000 0.789 372 P CB 0.678 32.402 31.700 0.040 0.000 0.933 373 L N 2.283 123.566 121.223 0.100 0.000 2.506 373 L HA -0.038 4.301 4.340 -0.001 0.000 0.281 373 L C 1.610 178.586 176.870 0.177 0.000 1.228 373 L CA 1.085 56.002 54.840 0.129 0.000 0.850 373 L CB -0.250 41.917 42.059 0.182 0.000 1.110 373 L HN 0.508 nan 8.230 nan 0.000 0.496 374 E N 1.885 122.128 120.200 0.071 0.000 2.511 374 E HA 0.180 4.529 4.350 -0.001 0.000 0.209 374 E C -0.423 176.026 176.600 -0.252 0.000 0.986 374 E CA -0.125 56.297 56.400 0.036 0.000 0.974 374 E CB 0.493 30.195 29.700 0.005 0.000 1.030 374 E HN 0.547 nan 8.360 nan 0.000 0.490 375 R N 0.020 120.273 120.500 -0.412 0.000 2.604 375 R HA 0.628 4.968 4.340 -0.001 0.000 0.261 375 R C -1.217 174.835 176.300 -0.413 0.000 1.080 375 R CA -0.863 54.819 56.100 -0.697 0.000 0.917 375 R CB 0.721 30.830 30.300 -0.319 0.000 1.252 375 R HN -0.046 nan 8.270 nan 0.000 0.456 376 A N 2.334 124.899 122.820 -0.426 0.000 2.540 376 A HA 0.131 4.451 4.320 -0.001 0.000 0.239 376 A C -1.068 176.572 177.584 0.093 0.000 1.061 376 A CA 0.068 52.105 52.037 0.000 0.000 0.758 376 A CB -0.062 18.979 19.000 0.069 0.000 0.991 376 A HN 0.633 nan 8.150 nan 0.000 0.502 377 Y N 1.989 122.368 120.300 0.131 0.000 2.434 377 Y HA 0.341 4.891 4.550 -0.001 0.000 0.341 377 Y C 0.865 176.808 175.900 0.071 0.000 0.965 377 Y CA -0.501 57.651 58.100 0.086 0.000 1.205 377 Y CB 0.736 39.250 38.460 0.090 0.000 1.121 377 Y HN 0.882 nan 8.280 nan 0.000 0.507 378 E N 2.262 122.151 120.200 -0.517 0.000 2.099 378 E HA -0.033 4.317 4.350 -0.001 0.000 0.191 378 E C 0.064 176.269 176.600 -0.658 0.000 0.962 378 E CA 0.196 56.334 56.400 -0.437 0.000 0.826 378 E CB 0.088 29.649 29.700 -0.232 0.000 0.788 378 E HN 0.559 nan 8.360 nan 0.000 0.461 379 E N 2.120 121.827 120.200 -0.821 0.000 2.570 379 E HA -0.067 4.282 4.350 -0.001 0.000 0.274 379 E C -2.233 174.112 176.600 -0.425 0.000 1.073 379 E CA -0.355 55.713 56.400 -0.554 0.000 1.005 379 E CB -0.197 29.275 29.700 -0.381 0.000 1.008 379 E HN -0.048 nan 8.360 nan 0.000 0.460 380 P HA 0.236 nan 4.420 nan 0.000 0.274 380 P C -0.123 177.231 177.300 0.090 0.000 1.264 380 P CA 0.368 63.438 63.100 -0.050 0.000 0.795 380 P CB 0.633 32.311 31.700 -0.037 0.000 1.064 381 G N -1.297 107.535 108.800 0.054 0.000 2.498 381 G HA2 0.343 4.303 3.960 -0.001 0.000 0.181 381 G HA3 0.343 4.303 3.960 -0.001 0.000 0.181 381 G C -1.860 173.044 174.900 0.006 0.000 1.169 381 G CA -0.428 44.711 45.100 0.065 0.000 0.992 381 G HN 0.361 nan 8.290 nan 0.000 0.490 382 I N 1.145 121.709 120.570 -0.010 0.000 2.530 382 I HA 0.483 4.653 4.170 -0.001 0.000 0.297 382 I C 0.226 176.326 176.117 -0.028 0.000 1.011 382 I CA -0.655 60.631 61.300 -0.023 0.000 1.107 382 I CB 1.571 39.554 38.000 -0.028 0.000 1.285 382 I HN 0.462 nan 8.210 nan 0.000 0.436 383 M N 5.033 124.614 119.600 -0.032 0.000 2.143 383 M HA 0.293 4.772 4.480 -0.001 0.000 0.348 383 M C -0.262 176.006 176.300 -0.054 0.000 1.375 383 M CA -0.049 55.226 55.300 -0.042 0.000 1.124 383 M CB 1.135 33.708 32.600 -0.046 0.000 1.669 383 M HN 0.369 nan 8.290 nan 0.000 0.469 384 V N 4.865 124.751 119.914 -0.045 0.000 2.960 384 V HA 0.438 4.558 4.120 -0.001 0.000 0.315 384 V C 0.163 176.211 176.094 -0.076 0.000 1.087 384 V CA -0.514 61.754 62.300 -0.053 0.000 0.982 384 V CB 2.032 33.843 31.823 -0.021 0.000 1.039 384 V HN 0.996 nan 8.190 nan 0.000 0.437 385 N N 2.653 121.301 118.700 -0.087 0.000 2.696 385 N HA -0.154 4.585 4.740 -0.001 0.000 0.249 385 N C -0.005 175.376 175.510 -0.215 0.000 1.090 385 N CA 1.381 54.378 53.050 -0.088 0.000 0.716 385 N CB -1.068 37.412 38.487 -0.012 0.000 1.020 385 N HN 0.630 nan 8.380 nan 0.000 0.548 386 S N -0.416 115.035 115.700 -0.414 0.000 2.062 386 S HA 0.500 4.970 4.470 -0.001 0.000 0.163 386 S C 1.345 175.349 174.600 -0.994 0.000 1.612 386 S CA -0.198 57.354 58.200 -1.079 0.000 1.251 386 S CB 1.065 63.788 63.200 -0.795 0.000 1.174 386 S HN 0.741 nan 8.310 nan 0.000 0.428 387 G N 4.193 112.609 108.800 -0.640 0.000 2.672 387 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.356 387 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.356 387 G C -1.522 173.179 174.900 -0.332 0.000 1.312 387 G CA 0.606 45.523 45.100 -0.305 0.000 0.980 387 G HN 0.453 nan 8.290 nan 0.000 0.540 388 P HA 0.189 nan 4.420 nan 0.000 0.258 388 P C 0.511 177.385 177.300 -0.710 0.000 1.319 388 P CA 0.744 63.535 63.100 -0.515 0.000 0.785 388 P CB -0.286 31.099 31.700 -0.525 0.000 1.252 389 F N -0.735 119.043 119.950 -0.288 0.000 2.706 389 F HA 0.201 4.728 4.527 -0.001 0.000 0.308 389 F C 1.029 176.704 175.800 -0.208 0.000 1.095 389 F CA -0.687 57.165 58.000 -0.245 0.000 1.244 389 F CB -0.260 38.560 39.000 -0.299 0.000 1.063 389 F HN -0.198 nan 8.300 nan 0.000 0.582 390 D N 1.030 121.364 120.400 -0.110 0.000 2.531 390 D HA 0.210 4.850 4.640 -0.001 0.000 0.239 390 D C 1.408 177.672 176.300 -0.060 0.000 1.144 390 D CA 1.812 55.755 54.000 -0.094 0.000 0.869 390 D CB 0.770 41.501 40.800 -0.115 0.000 1.160 390 D HN 0.522 nan 8.370 nan 0.000 0.484 391 G N 2.177 110.952 108.800 -0.043 0.000 2.175 391 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.244 391 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.244 391 G C 0.533 175.423 174.900 -0.017 0.000 0.982 391 G CA 0.298 45.379 45.100 -0.032 0.000 0.641 391 G HN 0.564 nan 8.290 nan 0.000 0.527 392 T N 1.005 115.558 114.554 -0.003 0.000 2.902 392 T HA 0.548 4.898 4.350 -0.001 0.000 0.280 392 T C 0.066 174.764 174.700 -0.003 0.000 0.992 392 T CA -0.439 61.669 62.100 0.013 0.000 1.015 392 T CB 1.858 70.762 68.868 0.061 0.000 1.044 392 T HN 0.299 nan 8.240 nan 0.000 0.520 393 E N 1.047 121.245 120.200 -0.004 0.000 2.259 393 E HA 0.216 4.566 4.350 -0.001 0.000 0.281 393 E C 0.792 177.377 176.600 -0.026 0.000 1.027 393 E CA -0.367 56.025 56.400 -0.013 0.000 0.838 393 E CB 1.074 30.768 29.700 -0.011 0.000 1.066 393 E HN 0.545 nan 8.360 nan 0.000 0.401 394 S N 2.993 118.671 115.700 -0.036 0.000 2.390 394 S HA -0.264 4.206 4.470 -0.001 0.000 0.234 394 S C 1.478 176.044 174.600 -0.057 0.000 1.063 394 S CA 1.379 59.544 58.200 -0.058 0.000 1.108 394 S CB -0.126 63.034 63.200 -0.066 0.000 0.975 394 S HN 0.527 nan 8.310 nan 0.000 0.442 395 E N 0.979 121.153 120.200 -0.043 0.000 2.013 395 E HA -0.206 4.143 4.350 -0.001 0.000 0.202 395 E C 2.187 178.768 176.600 -0.032 0.000 1.018 395 E CA 1.221 57.599 56.400 -0.038 0.000 0.834 395 E CB -0.682 29.001 29.700 -0.028 0.000 0.770 395 E HN 0.702 nan 8.360 nan 0.000 0.459 396 E N 0.424 120.612 120.200 -0.019 0.000 2.204 396 E HA -0.133 4.216 4.350 -0.001 0.000 0.195 396 E C 2.068 178.663 176.600 -0.007 0.000 0.990 396 E CA 0.941 57.337 56.400 -0.005 0.000 0.821 396 E CB -0.277 29.427 29.700 0.007 0.000 0.750 396 E HN 0.280 nan 8.360 nan 0.000 0.477 397 G N 1.497 110.281 108.800 -0.027 0.000 2.476 397 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.218 397 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.218 397 G C 1.448 176.278 174.900 -0.117 0.000 1.164 397 G CA 1.161 46.222 45.100 -0.065 0.000 0.768 397 G HN 0.220 nan 8.290 nan 0.000 0.560 398 K N 0.547 120.889 120.400 -0.096 0.000 1.975 398 K HA -0.206 4.113 4.320 -0.001 0.000 0.225 398 K C 2.698 179.261 176.600 -0.061 0.000 1.050 398 K CA 1.907 58.138 56.287 -0.095 0.000 0.992 398 K CB -0.375 32.079 32.500 -0.076 0.000 0.738 398 K HN 0.378 nan 8.250 nan 0.000 0.446 399 R N 1.519 122.003 120.500 -0.027 0.000 2.204 399 R HA -0.210 4.130 4.340 -0.001 0.000 0.253 399 R C 1.988 178.312 176.300 0.041 0.000 1.172 399 R CA 1.716 57.819 56.100 0.005 0.000 0.994 399 R CB -0.397 29.909 30.300 0.010 0.000 0.874 399 R HN 0.182 nan 8.270 nan 0.000 0.462 400 K N 0.854 121.281 120.400 0.044 0.000 1.991 400 K HA -0.037 4.282 4.320 -0.001 0.000 0.207 400 K C 2.198 178.898 176.600 0.168 0.000 1.045 400 K CA 1.530 57.898 56.287 0.136 0.000 0.937 400 K CB -0.101 32.508 32.500 0.181 0.000 0.720 400 K HN 0.019 nan 8.250 nan 0.000 0.438 401 V N 2.058 121.915 119.914 -0.095 0.000 2.392 401 V HA -0.266 3.853 4.120 -0.001 0.000 0.249 401 V C 2.230 178.405 176.094 0.135 0.000 1.059 401 V CA 1.572 63.763 62.300 -0.181 0.000 1.051 401 V CB -0.465 31.095 31.823 -0.438 0.000 0.658 401 V HN 0.287 nan 8.190 nan 0.000 0.455 402 I N 0.477 121.085 120.570 0.064 0.000 2.072 402 I HA -0.248 3.921 4.170 -0.001 0.000 0.235 402 I C 2.749 178.940 176.117 0.124 0.000 1.058 402 I CA 1.630 62.974 61.300 0.073 0.000 1.320 402 I CB -0.711 37.303 38.000 0.024 0.000 1.047 402 I HN 0.285 nan 8.210 nan 0.000 0.397 403 A N -0.109 122.784 122.820 0.121 0.000 1.997 403 A HA -0.306 4.013 4.320 -0.001 0.000 0.221 403 A C 2.027 179.712 177.584 0.167 0.000 1.172 403 A CA 2.051 54.159 52.037 0.118 0.000 0.645 403 A CB -1.281 17.789 19.000 0.117 0.000 0.813 403 A HN 0.720 nan 8.150 nan 0.000 0.454 404 W N 0.356 121.702 121.300 0.078 0.000 2.381 404 W HA -0.120 4.540 4.660 -0.001 0.000 0.321 404 W C 1.893 178.448 176.519 0.060 0.000 1.196 404 W CA 1.935 59.352 57.345 0.120 0.000 1.304 404 W CB -0.615 29.013 29.460 0.279 0.000 1.166 404 W HN 0.238 nan 8.180 nan 0.000 0.473 405 L N 0.756 122.126 121.223 0.245 0.000 2.051 405 L HA -0.299 4.041 4.340 -0.001 0.000 0.214 405 L C 2.404 179.193 176.870 -0.134 0.000 1.076 405 L CA 2.012 56.844 54.840 -0.013 0.000 0.758 405 L CB -1.034 41.098 42.059 0.121 0.000 0.890 405 L HN 0.153 nan 8.230 nan 0.000 0.433 406 E N -0.343 119.825 120.200 -0.054 0.000 2.110 406 E HA -0.263 4.087 4.350 -0.001 0.000 0.193 406 E C 2.065 178.597 176.600 -0.113 0.000 0.988 406 E CA 1.161 57.523 56.400 -0.064 0.000 0.804 406 E CB -0.084 29.605 29.700 -0.019 0.000 0.745 406 E HN 0.539 nan 8.360 nan 0.000 0.458 407 E N 1.066 121.172 120.200 -0.156 0.000 2.072 407 E HA -0.153 4.196 4.350 -0.001 0.000 0.190 407 E C 1.554 178.003 176.600 -0.251 0.000 0.982 407 E CA 0.762 57.055 56.400 -0.179 0.000 0.803 407 E CB 0.267 29.860 29.700 -0.178 0.000 0.755 407 E HN -0.047 nan 8.360 nan 0.000 0.453 408 K N -0.338 119.814 120.400 -0.413 0.000 2.486 408 K HA 0.020 4.339 4.320 -0.001 0.000 0.194 408 K C 1.071 177.514 176.600 -0.263 0.000 1.033 408 K CA 0.795 56.835 56.287 -0.412 0.000 1.004 408 K CB 0.158 32.235 32.500 -0.705 0.000 0.798 408 K HN 0.341 nan 8.250 nan 0.000 0.495 409 G N 1.762 110.439 108.800 -0.205 0.000 2.198 409 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.260 409 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.260 409 G C 0.577 175.405 174.900 -0.121 0.000 1.025 409 G CA 0.362 45.383 45.100 -0.132 0.000 0.769 409 G HN 0.349 nan 8.290 nan 0.000 0.507 410 L N -0.729 120.404 121.223 -0.150 0.000 2.554 410 L HA 0.523 4.863 4.340 -0.001 0.000 0.225 410 L C 1.578 178.408 176.870 -0.066 0.000 1.104 410 L CA 0.861 55.630 54.840 -0.118 0.000 0.866 410 L CB 0.321 42.288 42.059 -0.153 0.000 1.047 410 L HN 0.583 nan 8.230 nan 0.000 0.468 411 G N -0.082 108.688 108.800 -0.051 0.000 2.489 411 G HA2 0.491 4.450 3.960 -0.001 0.000 0.305 411 G HA3 0.491 4.450 3.960 -0.001 0.000 0.305 411 G C -1.900 172.994 174.900 -0.011 0.000 1.311 411 G CA -0.534 44.557 45.100 -0.014 0.000 0.813 411 G HN -0.014 nan 8.290 nan 0.000 0.480 412 K N -1.280 119.123 120.400 0.006 0.000 2.568 412 K HA 0.661 4.980 4.320 -0.001 0.000 0.273 412 K C -0.174 176.437 176.600 0.018 0.000 0.951 412 K CA -0.704 55.587 56.287 0.006 0.000 0.854 412 K CB 1.627 34.129 32.500 0.002 0.000 1.424 412 K HN 1.103 nan 8.250 nan 0.000 0.427 413 G N 1.497 110.306 108.800 0.016 0.000 2.403 413 G HA2 0.436 4.396 3.960 -0.001 0.000 0.259 413 G HA3 0.436 4.396 3.960 -0.001 0.000 0.259 413 G C -0.873 174.050 174.900 0.038 0.000 1.244 413 G CA -0.451 44.662 45.100 0.022 0.000 0.849 413 G HN 0.581 nan 8.290 nan 0.000 0.532 414 R N 1.274 121.822 120.500 0.080 0.000 2.594 414 R HA 0.383 4.723 4.340 -0.001 0.000 0.265 414 R C -1.526 174.837 176.300 0.106 0.000 1.070 414 R CA -0.609 55.536 56.100 0.075 0.000 0.909 414 R CB 2.152 32.495 30.300 0.071 0.000 1.243 414 R HN 0.407 nan 8.270 nan 0.000 0.455 415 V N 2.784 122.676 119.914 -0.037 0.000 2.439 415 V HA 0.457 4.577 4.120 -0.001 0.000 0.282 415 V C 0.305 176.154 176.094 -0.408 0.000 1.039 415 V CA -0.394 61.793 62.300 -0.188 0.000 0.913 415 V CB 1.413 33.086 31.823 -0.250 0.000 0.983 415 V HN 0.919 nan 8.190 nan 0.000 0.460 416 T N 1.811 115.974 114.554 -0.651 0.000 2.907 416 T HA 0.748 5.098 4.350 -0.001 0.000 0.292 416 T C -1.095 173.277 174.700 -0.547 0.000 1.043 416 T CA -0.650 61.065 62.100 -0.641 0.000 1.003 416 T CB 1.514 69.796 68.868 -0.976 0.000 1.084 416 T HN 0.337 nan 8.240 nan 0.000 0.483 417 Y N 0.198 120.412 120.300 -0.144 0.000 2.487 417 Y HA 0.588 5.138 4.550 -0.001 0.000 0.337 417 Y C 1.805 177.675 175.900 -0.050 0.000 1.076 417 Y CA -1.413 56.638 58.100 -0.081 0.000 1.115 417 Y CB 1.905 40.304 38.460 -0.102 0.000 1.235 417 Y HN 0.726 nan 8.280 nan 0.000 0.468 418 R N 0.916 121.418 120.500 0.004 0.000 2.093 418 R HA -0.004 4.335 4.340 -0.001 0.000 0.224 418 R C 0.271 176.385 176.300 -0.310 0.000 1.101 418 R CA 0.242 56.163 56.100 -0.298 0.000 0.979 418 R CB -0.112 29.932 30.300 -0.426 0.000 0.877 418 R HN 0.658 nan 8.270 nan 0.000 0.441 419 L N 2.760 123.832 121.223 -0.251 0.000 2.667 419 L HA -0.049 4.291 4.340 -0.001 0.000 0.278 419 L C -0.384 176.372 176.870 -0.190 0.000 1.217 419 L CA 1.063 55.726 54.840 -0.295 0.000 0.935 419 L CB 0.251 42.199 42.059 -0.185 0.000 1.193 419 L HN 0.151 nan 8.230 nan 0.000 0.493 420 R N 3.270 123.658 120.500 -0.187 0.000 2.608 420 R HA 0.389 4.728 4.340 -0.001 0.000 0.255 420 R C -0.397 175.910 176.300 0.012 0.000 1.086 420 R CA -1.067 54.985 56.100 -0.079 0.000 1.125 420 R CB 0.529 30.796 30.300 -0.055 0.000 1.193 420 R HN 0.593 nan 8.270 nan 0.000 0.553 421 D N -0.238 120.188 120.400 0.043 0.000 2.358 421 D HA -0.005 4.635 4.640 -0.001 0.000 0.244 421 D C -0.692 175.829 176.300 0.368 0.000 1.163 421 D CA 0.074 54.163 54.000 0.148 0.000 0.945 421 D CB 0.562 41.430 40.800 0.115 0.000 1.152 421 D HN 0.239 nan 8.370 nan 0.000 0.451 422 W N 2.774 124.192 121.300 0.196 0.000 2.388 422 W HA 0.270 4.929 4.660 -0.002 0.000 0.308 422 W C -0.687 176.015 176.519 0.306 0.000 1.263 422 W CA -0.822 56.670 57.345 0.246 0.000 1.286 422 W CB -0.262 29.295 29.460 0.160 0.000 1.294 422 W HN 0.136 nan 8.180 nan 0.000 0.493 423 L N 9.915 131.494 121.223 0.593 0.000 2.328 423 L HA 0.140 4.480 4.340 -0.001 0.000 0.280 423 L C 1.364 178.216 176.870 -0.030 0.000 1.111 423 L CA -0.114 54.799 54.840 0.122 0.000 0.909 423 L CB 0.200 42.371 42.059 0.186 0.000 1.277 423 L HN 0.645 nan 8.230 nan 0.000 0.433 424 I N 0.447 120.877 120.570 -0.234 0.000 3.427 424 I HA 0.102 4.271 4.170 -0.001 0.000 0.288 424 I C 1.066 177.156 176.117 -0.045 0.000 1.249 424 I CA -0.150 61.018 61.300 -0.220 0.000 1.421 424 I CB 0.129 37.929 38.000 -0.332 0.000 1.086 424 I HN 0.569 nan 8.210 nan 0.000 0.448 425 S N 2.624 118.329 115.700 0.008 0.000 2.549 425 S HA 0.422 4.891 4.470 -0.001 0.000 0.279 425 S C 0.009 174.637 174.600 0.047 0.000 1.321 425 S CA -0.608 57.621 58.200 0.048 0.000 1.054 425 S CB 0.960 64.286 63.200 0.209 0.000 0.899 425 S HN 0.339 nan 8.310 nan 0.000 0.497 426 R N 1.849 122.362 120.500 0.020 0.000 2.744 426 R HA 0.309 4.649 4.340 -0.001 0.000 0.279 426 R C -0.997 175.336 176.300 0.054 0.000 0.977 426 R CA -0.657 55.469 56.100 0.044 0.000 0.906 426 R CB 1.623 31.930 30.300 0.012 0.000 1.197 426 R HN 0.687 nan 8.270 nan 0.000 0.463 427 Q N 2.066 121.929 119.800 0.105 0.000 3.041 427 Q HA 0.298 4.638 4.340 -0.001 0.000 0.372 427 Q C -0.333 175.732 176.000 0.109 0.000 1.241 427 Q CA 0.033 55.918 55.803 0.136 0.000 1.010 427 Q CB 0.449 29.332 28.738 0.242 0.000 1.467 427 Q HN 0.036 nan 8.270 nan 0.000 0.462 428 R N -0.576 119.964 120.500 0.066 0.000 2.808 428 R HA 0.227 4.566 4.340 -0.001 0.000 0.272 428 R C -0.165 176.187 176.300 0.086 0.000 0.995 428 R CA -0.783 55.367 56.100 0.084 0.000 0.917 428 R CB 0.508 30.840 30.300 0.053 0.000 1.217 428 R HN 0.243 nan 8.270 nan 0.000 0.471 429 Y N 1.547 121.878 120.300 0.052 0.000 2.084 429 Y HA -0.031 4.517 4.550 -0.002 0.000 0.279 429 Y C 0.680 176.642 175.900 0.104 0.000 1.119 429 Y CA 1.099 59.235 58.100 0.061 0.000 1.101 429 Y CB 0.001 38.524 38.460 0.105 0.000 0.989 429 Y HN 0.598 nan 8.280 nan 0.000 0.484 430 W N 3.718 124.774 121.300 -0.407 0.000 2.315 430 W HA 0.354 5.014 4.660 0.001 0.000 0.482 430 W C -0.354 175.941 176.519 -0.373 0.000 0.955 430 W CA 0.895 58.061 57.345 -0.298 0.000 1.803 430 W CB -0.787 28.659 29.460 -0.022 0.000 1.718 430 W HN 0.356 nan 8.180 nan 0.000 0.332 431 G N 2.039 110.147 108.800 -1.153 0.000 2.523 431 G HA2 0.185 4.144 3.960 -0.001 0.000 0.291 431 G HA3 0.185 4.144 3.960 -0.001 0.000 0.291 431 G C -1.060 172.836 174.900 -1.674 0.000 1.450 431 G CA -0.869 43.164 45.100 -1.777 0.000 0.790 431 G HN -0.063 nan 8.290 nan 0.000 0.496 432 T N 2.687 116.373 114.554 -1.447 0.000 2.888 432 T HA 0.422 4.771 4.350 -0.001 0.000 0.301 432 T C -2.411 171.823 174.700 -0.778 0.000 1.001 432 T CA -0.276 61.197 62.100 -1.044 0.000 1.147 432 T CB 1.288 69.705 68.868 -0.752 0.000 0.931 432 T HN 0.212 nan 8.240 nan 0.000 0.541 433 P HA 0.261 nan 4.420 nan 0.000 0.280 433 P C -0.187 176.782 177.300 -0.552 0.000 1.244 433 P CA -0.473 62.334 63.100 -0.489 0.000 0.784 433 P CB 0.351 31.846 31.700 -0.341 0.000 0.913 434 I N 6.025 126.240 120.570 -0.591 0.000 2.421 434 I HA 0.076 4.246 4.170 -0.001 0.000 0.291 434 I C -1.322 174.312 176.117 -0.805 0.000 1.089 434 I CA -1.735 59.012 61.300 -0.923 0.000 1.354 434 I CB 0.480 37.861 38.000 -1.032 0.000 1.413 434 I HN 0.197 nan 8.210 nan 0.000 0.513 435 P HA -0.014 nan 4.420 nan 0.000 0.251 435 P C -0.596 176.364 177.300 -0.567 0.000 1.624 435 P CA 0.530 63.295 63.100 -0.558 0.000 0.907 435 P CB -0.037 31.395 31.700 -0.447 0.000 1.867 436 M N 0.380 119.625 119.600 -0.591 0.000 2.457 436 M HA 0.383 4.863 4.480 -0.001 0.000 0.300 436 M C -0.490 175.542 176.300 -0.446 0.000 1.141 436 M CA -1.171 53.813 55.300 -0.528 0.000 0.901 436 M CB 2.585 34.840 32.600 -0.576 0.000 1.687 436 M HN -0.281 nan 8.290 nan 0.000 0.449 437 V N 2.082 121.788 119.914 -0.347 0.000 2.604 437 V HA 0.403 4.523 4.120 -0.001 0.000 0.305 437 V C -0.507 175.488 176.094 -0.164 0.000 1.043 437 V CA -0.799 61.333 62.300 -0.279 0.000 0.888 437 V CB 1.952 33.673 31.823 -0.170 0.000 0.995 437 V HN 0.698 nan 8.190 nan 0.000 0.429 438 H N 2.082 121.141 119.070 -0.018 0.000 2.638 438 H HA 0.264 4.820 4.556 -0.001 0.000 0.242 438 H C 0.323 175.657 175.328 0.009 0.000 1.610 438 H CA -0.509 55.548 56.048 0.015 0.000 1.275 438 H CB 0.731 30.509 29.762 0.026 0.000 1.583 438 H HN 0.799 nan 8.280 nan 0.000 0.556 439 C N 2.287 121.662 119.300 0.124 0.000 2.679 439 C HA 0.002 4.462 4.460 -0.001 0.000 0.417 439 C C 2.229 177.262 174.990 0.071 0.000 1.302 439 C CA -0.068 58.995 59.018 0.074 0.000 1.973 439 C CB 0.095 27.867 27.740 0.054 0.000 2.715 439 C HN 0.895 nan 8.230 nan 0.000 0.628 440 E N 2.116 122.345 120.200 0.048 0.000 2.299 440 E HA 0.006 4.355 4.350 -0.001 0.000 0.193 440 E C 1.807 178.424 176.600 0.030 0.000 0.998 440 E CA 1.123 57.543 56.400 0.034 0.000 0.851 440 E CB 0.118 29.833 29.700 0.026 0.000 0.795 440 E HN 0.883 nan 8.360 nan 0.000 0.492 441 A N 0.079 122.919 122.820 0.033 0.000 1.884 441 A HA -0.042 4.278 4.320 -0.001 0.000 0.212 441 A C 2.325 179.933 177.584 0.039 0.000 1.265 441 A CA 0.667 52.722 52.037 0.030 0.000 0.626 441 A CB -0.601 18.415 19.000 0.026 0.000 0.943 441 A HN 0.453 nan 8.150 nan 0.000 0.466 442 C N -1.121 118.208 119.300 0.048 0.000 2.446 442 C HA 0.445 4.905 4.460 -0.001 0.000 0.279 442 C C 1.878 176.918 174.990 0.083 0.000 1.366 442 C CA 0.234 59.290 59.018 0.062 0.000 1.763 442 C CB -1.299 26.480 27.740 0.065 0.000 1.929 442 C HN 1.140 nan 8.230 nan 0.000 0.509 443 G N -0.183 108.668 108.800 0.086 0.000 2.513 443 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.227 443 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.227 443 G C -0.493 174.512 174.900 0.176 0.000 1.176 443 G CA -0.196 44.968 45.100 0.106 0.000 0.967 443 G HN 0.349 nan 8.290 nan 0.000 0.587 444 V N 1.306 121.366 119.914 0.243 0.000 2.415 444 V HA 0.461 4.580 4.120 -0.001 0.000 0.267 444 V C 0.600 176.817 176.094 0.204 0.000 1.042 444 V CA -0.082 62.424 62.300 0.343 0.000 1.000 444 V CB 0.690 32.789 31.823 0.461 0.000 1.015 444 V HN 0.845 nan 8.190 nan 0.000 0.478 445 V N 8.205 128.159 119.914 0.066 0.000 2.495 445 V HA 0.455 4.574 4.120 -0.001 0.000 0.298 445 V C -2.151 173.825 176.094 -0.196 0.000 1.031 445 V CA -1.898 60.389 62.300 -0.022 0.000 0.871 445 V CB 2.269 34.097 31.823 0.008 0.000 0.988 445 V HN 0.687 nan 8.190 nan 0.000 0.432 446 P HA 0.237 nan 4.420 nan 0.000 0.279 446 P C -0.369 176.803 177.300 -0.214 0.000 1.239 446 P CA -0.083 62.788 63.100 -0.383 0.000 0.789 446 P CB 1.521 32.940 31.700 -0.468 0.000 0.933 447 V N 5.723 125.501 119.914 -0.226 0.000 2.740 447 V HA 0.079 4.198 4.120 -0.001 0.000 0.303 447 V C -1.720 174.312 176.094 -0.103 0.000 1.054 447 V CA -1.088 61.121 62.300 -0.152 0.000 1.106 447 V CB -0.313 31.410 31.823 -0.167 0.000 0.957 447 V HN 0.595 nan 8.190 nan 0.000 0.486 448 P HA 0.067 nan 4.420 nan 0.000 0.269 448 P C 0.842 178.134 177.300 -0.013 0.000 1.215 448 P CA -0.024 63.060 63.100 -0.027 0.000 0.780 448 P CB 0.669 32.362 31.700 -0.013 0.000 0.898 449 E N 2.149 122.357 120.200 0.014 0.000 2.021 449 E HA -0.278 4.071 4.350 -0.001 0.000 0.200 449 E C 1.561 178.211 176.600 0.082 0.000 1.015 449 E CA 1.448 57.888 56.400 0.066 0.000 0.824 449 E CB -0.113 29.647 29.700 0.100 0.000 0.762 449 E HN 0.483 nan 8.360 nan 0.000 0.454 450 E N 0.597 120.839 120.200 0.070 0.000 2.209 450 E HA -0.258 4.092 4.350 -0.001 0.000 0.196 450 E C 1.592 178.201 176.600 0.016 0.000 0.993 450 E CA 1.221 57.652 56.400 0.052 0.000 0.819 450 E CB -0.462 29.267 29.700 0.048 0.000 0.745 450 E HN 0.450 nan 8.360 nan 0.000 0.477 451 E N 0.416 120.618 120.200 0.003 0.000 2.516 451 E HA 0.044 4.394 4.350 -0.001 0.000 0.199 451 E C 0.183 176.767 176.600 -0.027 0.000 1.069 451 E CA -0.142 56.249 56.400 -0.014 0.000 0.876 451 E CB 0.049 29.734 29.700 -0.024 0.000 0.843 451 E HN 0.198 nan 8.360 nan 0.000 0.530 452 L N 1.919 123.125 121.223 -0.028 0.000 2.399 452 L HA 0.356 4.695 4.340 -0.001 0.000 0.266 452 L C -1.842 174.974 176.870 -0.090 0.000 1.114 452 L CA -2.116 52.691 54.840 -0.055 0.000 0.804 452 L CB 0.650 42.681 42.059 -0.046 0.000 1.146 452 L HN 0.038 nan 8.230 nan 0.000 0.451 453 P HA 0.103 nan 4.420 nan 0.000 0.279 453 P C -0.798 176.507 177.300 0.008 0.000 1.252 453 P CA -0.383 62.697 63.100 -0.034 0.000 0.811 453 P CB 1.533 33.242 31.700 0.015 0.000 1.035 454 V N 3.604 123.517 119.914 -0.003 0.000 2.222 454 V HA 0.076 4.196 4.120 -0.001 0.000 0.253 454 V C 0.915 177.032 176.094 0.038 0.000 1.210 454 V CA -0.332 61.972 62.300 0.007 0.000 1.079 454 V CB -0.826 30.968 31.823 -0.050 0.000 1.265 454 V HN 0.396 nan 8.190 nan 0.000 0.494 455 L N 3.829 125.109 121.223 0.096 0.000 2.573 455 L HA 0.035 4.374 4.340 -0.001 0.000 0.290 455 L C 0.481 177.366 176.870 0.025 0.000 1.247 455 L CA 0.250 55.166 54.840 0.128 0.000 0.876 455 L CB 0.236 42.361 42.059 0.111 0.000 1.123 455 L HN 0.407 nan 8.230 nan 0.000 0.505 456 L N 4.507 125.741 121.223 0.018 0.000 2.367 456 L HA 0.237 4.576 4.340 -0.001 0.000 0.275 456 L C -1.836 175.010 176.870 -0.039 0.000 1.129 456 L CA -1.622 53.144 54.840 -0.123 0.000 0.839 456 L CB 1.123 43.147 42.059 -0.059 0.000 1.133 456 L HN 0.391 nan 8.230 nan 0.000 0.453 457 P HA -0.041 nan 4.420 nan 0.000 0.262 457 P C -0.789 176.561 177.300 0.083 0.000 1.199 457 P CA 0.018 63.076 63.100 -0.069 0.000 0.763 457 P CB 0.253 31.815 31.700 -0.230 0.000 0.790 458 D N 3.686 124.138 120.400 0.087 0.000 2.346 458 D HA 0.085 4.724 4.640 -0.001 0.000 0.260 458 D C -0.945 175.372 176.300 0.028 0.000 1.252 458 D CA 0.178 54.255 54.000 0.129 0.000 0.895 458 D CB 0.328 41.187 40.800 0.097 0.000 1.097 458 D HN 0.075 nan 8.370 nan 0.000 0.489 459 L N 4.747 125.974 121.223 0.006 0.000 2.345 459 L HA 0.249 4.589 4.340 -0.001 0.000 0.274 459 L C 1.134 177.922 176.870 -0.137 0.000 0.999 459 L CA -0.337 54.407 54.840 -0.161 0.000 0.849 459 L CB 1.686 43.463 42.059 -0.470 0.000 1.220 459 L HN 0.203 nan 8.230 nan 0.000 0.422 460 K N 0.940 121.236 120.400 -0.175 0.000 2.520 460 K HA 0.139 4.458 4.320 -0.001 0.000 0.205 460 K C -0.263 176.203 176.600 -0.223 0.000 1.035 460 K CA -0.075 56.016 56.287 -0.326 0.000 1.188 460 K CB 0.159 32.514 32.500 -0.242 0.000 0.894 460 K HN 0.391 nan 8.250 nan 0.000 0.497 461 D N 0.676 120.995 120.400 -0.135 0.000 2.453 461 D HA 0.068 4.708 4.640 -0.001 0.000 0.238 461 D C 1.071 177.352 176.300 -0.033 0.000 1.088 461 D CA -0.508 53.450 54.000 -0.070 0.000 0.854 461 D CB 1.395 42.171 40.800 -0.040 0.000 1.076 461 D HN -0.240 nan 8.370 nan 0.000 0.533 462 V N 4.347 124.259 119.914 -0.003 0.000 2.231 462 V HA -0.258 3.862 4.120 -0.001 0.000 0.248 462 V C 1.952 178.049 176.094 0.006 0.000 1.054 462 V CA 1.850 64.165 62.300 0.025 0.000 1.015 462 V CB -0.627 31.210 31.823 0.023 0.000 0.638 462 V HN 0.637 nan 8.190 nan 0.000 0.444 463 E N -0.247 119.952 120.200 -0.000 0.000 2.455 463 E HA -0.242 4.108 4.350 -0.001 0.000 0.202 463 E C 1.673 178.278 176.600 0.009 0.000 1.045 463 E CA 1.054 57.456 56.400 0.003 0.000 0.872 463 E CB -0.139 29.561 29.700 0.001 0.000 0.792 463 E HN 0.676 nan 8.360 nan 0.000 0.542 464 D N 0.871 121.271 120.400 0.001 0.000 2.320 464 D HA -0.076 4.563 4.640 -0.001 0.000 0.228 464 D C 2.022 178.320 176.300 -0.004 0.000 0.978 464 D CA 0.648 54.654 54.000 0.010 0.000 0.905 464 D CB -0.040 40.764 40.800 0.007 0.000 1.051 464 D HN 0.263 nan 8.370 nan 0.000 0.471 465 I N -0.884 119.646 120.570 -0.066 0.000 2.423 465 I HA -0.072 4.097 4.170 -0.001 0.000 0.254 465 I C 1.237 177.388 176.117 0.057 0.000 1.151 465 I CA 0.354 61.615 61.300 -0.065 0.000 1.421 465 I CB -0.546 37.388 38.000 -0.109 0.000 1.079 465 I HN -0.132 nan 8.210 nan 0.000 0.431 466 R N 4.227 124.752 120.500 0.040 0.000 2.526 466 R HA 0.013 4.353 4.340 -0.001 0.000 0.319 466 R C -2.055 174.285 176.300 0.068 0.000 0.888 466 R CA -0.945 55.183 56.100 0.046 0.000 1.127 466 R CB -0.081 30.234 30.300 0.026 0.000 0.888 466 R HN 0.244 nan 8.270 nan 0.000 0.410 467 P HA 0.042 nan 4.420 nan 0.000 0.267 467 P C -0.846 176.513 177.300 0.099 0.000 1.205 467 P CA 0.047 63.206 63.100 0.099 0.000 0.765 467 P CB 1.048 32.799 31.700 0.086 0.000 0.828 468 K N 1.463 121.937 120.400 0.123 0.000 2.412 468 K HA 0.344 4.664 4.320 -0.001 0.000 0.202 468 K C 1.224 177.926 176.600 0.170 0.000 1.102 468 K CA 0.611 56.970 56.287 0.121 0.000 1.027 468 K CB 0.587 33.142 32.500 0.092 0.000 0.931 468 K HN 0.709 nan 8.250 nan 0.000 0.557 469 G N -0.255 108.682 108.800 0.228 0.000 3.578 469 G HA2 -0.052 3.907 3.960 -0.001 0.000 0.220 469 G HA3 -0.052 3.907 3.960 -0.001 0.000 0.220 469 G C -0.406 174.665 174.900 0.284 0.000 0.933 469 G CA -0.513 44.770 45.100 0.305 0.000 0.847 469 G HN 0.074 nan 8.290 nan 0.000 0.612 470 K N 0.274 120.804 120.400 0.217 0.000 2.555 470 K HA 0.587 4.907 4.320 -0.001 0.000 0.279 470 K C -0.442 176.261 176.600 0.171 0.000 0.986 470 K CA -0.514 55.883 56.287 0.184 0.000 0.880 470 K CB 2.048 34.617 32.500 0.116 0.000 1.474 470 K HN 0.186 nan 8.250 nan 0.000 0.433 471 S N 1.493 117.289 115.700 0.160 0.000 2.626 471 S HA 0.012 4.482 4.470 -0.001 0.000 0.303 471 S C -1.795 172.906 174.600 0.168 0.000 1.256 471 S CA -0.696 57.596 58.200 0.153 0.000 1.069 471 S CB 0.281 63.565 63.200 0.139 0.000 0.807 471 S HN 0.270 nan 8.310 nan 0.000 0.500 472 P HA -0.025 nan 4.420 nan 0.000 0.220 472 P C 0.977 178.417 177.300 0.234 0.000 1.148 472 P CA 0.933 64.140 63.100 0.179 0.000 0.803 472 P CB 0.042 31.827 31.700 0.143 0.000 0.782 473 L N -0.695 120.665 121.223 0.228 0.000 2.633 473 L HA -0.091 4.249 4.340 -0.001 0.000 0.235 473 L C 2.068 179.213 176.870 0.457 0.000 1.163 473 L CA 0.816 55.842 54.840 0.310 0.000 0.859 473 L CB -0.678 41.528 42.059 0.246 0.000 0.973 473 L HN 0.007 nan 8.230 nan 0.000 0.451 474 E N 0.864 121.249 120.200 0.308 0.000 2.216 474 E HA -0.019 4.330 4.350 -0.001 0.000 0.192 474 E C 1.468 178.256 176.600 0.314 0.000 0.988 474 E CA 0.777 57.297 56.400 0.201 0.000 0.834 474 E CB 0.231 29.986 29.700 0.092 0.000 0.772 474 E HN 0.382 nan 8.360 nan 0.000 0.479 475 A N 1.089 124.107 122.820 0.330 0.000 3.012 475 A HA 0.108 4.427 4.320 -0.001 0.000 0.295 475 A C -0.310 177.309 177.584 0.057 0.000 1.338 475 A CA -0.161 52.001 52.037 0.208 0.000 0.981 475 A CB -0.291 18.768 19.000 0.099 0.000 1.091 475 A HN 0.110 nan 8.150 nan 0.000 0.602 476 H N -0.560 118.706 119.070 0.326 0.000 2.562 476 H HA 0.132 4.688 4.556 -0.001 0.000 0.230 476 H C -2.472 172.773 175.328 -0.138 0.000 1.415 476 H CA -1.040 55.097 56.048 0.149 0.000 1.454 476 H CB 1.125 31.003 29.762 0.193 0.000 1.716 476 H HN 0.207 nan 8.280 nan 0.000 0.538 477 P HA -0.203 nan 4.420 nan 0.000 0.218 477 P C 1.704 178.702 177.300 -0.504 0.000 1.146 477 P CA 1.149 63.626 63.100 -1.037 0.000 0.813 477 P CB 0.352 31.747 31.700 -0.508 0.000 0.778 478 E N -1.279 118.817 120.200 -0.173 0.000 2.333 478 E HA -0.200 4.150 4.350 -0.001 0.000 0.198 478 E C 1.580 178.203 176.600 0.039 0.000 1.007 478 E CA 1.076 57.454 56.400 -0.037 0.000 0.845 478 E CB -0.955 28.781 29.700 0.059 0.000 0.766 478 E HN 0.316 nan 8.360 nan 0.000 0.507 479 F N 1.959 121.853 119.950 -0.095 0.000 2.479 479 F HA 0.056 4.584 4.527 0.000 0.000 0.280 479 F C 1.978 177.779 175.800 0.000 0.000 0.982 479 F CA 0.201 58.192 58.000 -0.015 0.000 1.276 479 F CB -0.554 38.489 39.000 0.072 0.000 1.137 479 F HN -0.041 nan 8.300 nan 0.000 0.660 480 Y N 0.773 120.815 120.300 -0.430 0.000 2.578 480 Y HA 0.360 4.909 4.550 -0.001 0.000 0.297 480 Y C -0.335 175.393 175.900 -0.287 0.000 1.176 480 Y CA -0.546 57.224 58.100 -0.549 0.000 1.315 480 Y CB -1.522 36.796 38.460 -0.237 0.000 1.031 480 Y HN 0.087 nan 8.280 nan 0.000 0.524 481 E N 1.601 121.638 120.200 -0.272 0.000 2.063 481 E HA 0.300 4.649 4.350 -0.001 0.000 0.265 481 E C -0.522 176.008 176.600 -0.116 0.000 0.919 481 E CA -0.229 56.093 56.400 -0.130 0.000 0.756 481 E CB 1.462 31.048 29.700 -0.190 0.000 1.120 481 E HN 0.337 nan 8.360 nan 0.000 0.414 482 T N 0.968 115.471 114.554 -0.084 0.000 2.669 482 T HA 0.466 4.815 4.350 -0.001 0.000 0.283 482 T C -0.886 173.786 174.700 -0.047 0.000 1.019 482 T CA -0.460 61.593 62.100 -0.079 0.000 1.039 482 T CB 1.747 70.548 68.868 -0.111 0.000 1.374 482 T HN 0.416 nan 8.240 nan 0.000 0.523 483 T N -0.731 113.797 114.554 -0.042 0.000 2.856 483 T HA 0.462 4.811 4.350 -0.001 0.000 0.283 483 T C 0.362 175.045 174.700 -0.028 0.000 1.008 483 T CA -0.736 61.349 62.100 -0.026 0.000 0.997 483 T CB 0.463 69.320 68.868 -0.018 0.000 0.992 483 T HN 0.896 nan 8.240 nan 0.000 0.454 484 C N 6.719 126.010 119.300 -0.014 0.000 2.592 484 C HA 0.267 4.727 4.460 -0.001 0.000 0.408 484 C C -0.472 174.511 174.990 -0.012 0.000 1.436 484 C CA -1.200 57.811 59.018 -0.011 0.000 1.595 484 C CB -0.312 27.433 27.740 0.008 0.000 2.487 484 C HN 0.798 nan 8.230 nan 0.000 0.610 485 P HA -0.008 nan 4.420 nan 0.000 0.245 485 P C 0.721 178.020 177.300 -0.001 0.000 1.212 485 P CA 0.974 64.064 63.100 -0.016 0.000 0.774 485 P CB 0.114 31.796 31.700 -0.030 0.000 0.999 486 K N 0.283 120.688 120.400 0.007 0.000 2.218 486 K HA -0.011 4.308 4.320 -0.001 0.000 0.222 486 K C 2.263 178.874 176.600 0.019 0.000 1.030 486 K CA 1.065 57.364 56.287 0.020 0.000 0.946 486 K CB -0.578 31.942 32.500 0.033 0.000 1.000 486 K HN 0.148 nan 8.250 nan 0.000 0.461 487 C N -1.087 118.225 119.300 0.020 0.000 2.489 487 C HA 0.367 4.827 4.460 -0.001 0.000 0.279 487 C C 1.896 176.894 174.990 0.012 0.000 1.266 487 C CA 0.843 59.872 59.018 0.018 0.000 1.707 487 C CB -0.676 27.076 27.740 0.020 0.000 2.059 487 C HN 0.801 nan 8.230 nan 0.000 0.481 488 G N -0.345 108.461 108.800 0.009 0.000 2.624 488 G HA2 0.171 4.130 3.960 -0.001 0.000 0.190 488 G HA3 0.171 4.130 3.960 -0.001 0.000 0.190 488 G C 0.611 175.513 174.900 0.004 0.000 1.008 488 G CA 0.221 45.324 45.100 0.005 0.000 0.731 488 G HN 1.075 nan 8.290 nan 0.000 0.478 489 G N 1.042 109.847 108.800 0.008 0.000 2.527 489 G HA2 0.475 4.435 3.960 -0.001 0.000 0.279 489 G HA3 0.475 4.435 3.960 -0.001 0.000 0.279 489 G C -1.893 173.011 174.900 0.007 0.000 1.374 489 G CA 0.104 45.209 45.100 0.008 0.000 1.053 489 G HN 0.366 nan 8.290 nan 0.000 0.539 490 P HA 0.453 nan 4.420 nan 0.000 0.286 490 P C -0.640 176.672 177.300 0.019 0.000 1.269 490 P CA 0.010 63.116 63.100 0.011 0.000 0.787 490 P CB 1.583 33.292 31.700 0.015 0.000 0.920 491 A N 3.641 126.468 122.820 0.013 0.000 2.437 491 A HA 0.765 5.084 4.320 -0.001 0.000 0.288 491 A C -0.764 176.835 177.584 0.024 0.000 1.201 491 A CA -0.726 51.323 52.037 0.019 0.000 0.795 491 A CB 1.500 20.499 19.000 -0.002 0.000 1.359 491 A HN 0.493 nan 8.150 nan 0.000 0.435 492 K N 0.707 121.123 120.400 0.027 0.000 2.541 492 K HA 0.407 4.727 4.320 -0.001 0.000 0.250 492 K C -0.674 175.871 176.600 -0.092 0.000 0.950 492 K CA -0.487 55.816 56.287 0.026 0.000 0.805 492 K CB 1.333 33.872 32.500 0.066 0.000 1.166 492 K HN 0.755 nan 8.250 nan 0.000 0.430 493 R N 1.647 122.034 120.500 -0.187 0.000 2.694 493 R HA 0.012 4.352 4.340 -0.001 0.000 0.268 493 R C -0.157 175.979 176.300 -0.273 0.000 1.061 493 R CA -0.212 55.688 56.100 -0.333 0.000 1.133 493 R CB 0.425 30.349 30.300 -0.627 0.000 1.020 493 R HN 0.572 nan 8.270 nan 0.000 0.475 494 D N 0.975 121.195 120.400 -0.300 0.000 2.343 494 D HA -0.030 4.609 4.640 -0.001 0.000 0.255 494 D C 0.956 177.262 176.300 0.011 0.000 1.187 494 D CA 0.201 54.088 54.000 -0.189 0.000 0.875 494 D CB 1.251 41.877 40.800 -0.290 0.000 1.136 494 D HN 0.585 nan 8.370 nan 0.000 0.469 495 T N 0.141 114.752 114.554 0.094 0.000 3.055 495 T HA -0.041 4.309 4.350 -0.001 0.000 0.265 495 T C 0.607 175.378 174.700 0.119 0.000 1.111 495 T CA 0.021 62.247 62.100 0.209 0.000 1.118 495 T CB 0.218 69.181 68.868 0.158 0.000 0.909 495 T HN 0.206 nan 8.240 nan 0.000 0.501 496 D N 2.808 123.241 120.400 0.056 0.000 2.344 496 D HA 0.360 4.999 4.640 -0.001 0.000 0.244 496 D C 0.228 176.450 176.300 -0.130 0.000 1.134 496 D CA 0.265 54.269 54.000 0.006 0.000 0.930 496 D CB 1.456 42.296 40.800 0.067 0.000 1.175 496 D HN 0.479 nan 8.370 nan 0.000 0.437 497 T N -1.700 112.755 114.554 -0.166 0.000 2.863 497 T HA 0.553 4.903 4.350 -0.001 0.000 0.285 497 T C 0.583 175.105 174.700 -0.297 0.000 1.009 497 T CA -0.973 60.939 62.100 -0.313 0.000 0.989 497 T CB 1.119 69.750 68.868 -0.396 0.000 1.004 497 T HN 0.175 nan 8.240 nan 0.000 0.455 498 M N 2.605 121.965 119.600 -0.399 0.000 2.252 498 M HA 0.123 4.603 4.480 -0.001 0.000 0.321 498 M C 0.701 176.874 176.300 -0.212 0.000 1.070 498 M CA -0.039 55.077 55.300 -0.306 0.000 1.143 498 M CB 0.196 32.498 32.600 -0.497 0.000 1.498 498 M HN 0.728 nan 8.290 nan 0.000 0.445 499 D N 0.901 121.278 120.400 -0.038 0.000 2.313 499 D HA 0.010 4.650 4.640 -0.001 0.000 0.247 499 D C 0.939 177.310 176.300 0.118 0.000 1.094 499 D CA 0.065 54.100 54.000 0.058 0.000 0.925 499 D CB 1.486 42.393 40.800 0.178 0.000 1.188 499 D HN 0.767 nan 8.370 nan 0.000 0.430 500 T N 2.004 116.608 114.554 0.082 0.000 2.685 500 T HA -0.235 4.115 4.350 -0.001 0.000 0.268 500 T C 1.677 176.478 174.700 0.169 0.000 1.034 500 T CA 1.334 63.477 62.100 0.072 0.000 1.149 500 T CB -0.489 68.359 68.868 -0.034 0.000 0.860 500 T HN 0.414 nan 8.240 nan 0.000 0.449 501 F N 0.120 120.304 119.950 0.390 0.000 2.722 501 F HA 0.208 4.734 4.527 -0.001 0.000 0.298 501 F C 1.570 177.658 175.800 0.480 0.000 1.175 501 F CA -0.144 58.134 58.000 0.463 0.000 1.462 501 F CB -0.656 38.635 39.000 0.485 0.000 1.111 501 F HN 0.253 nan 8.300 nan 0.000 0.592 502 F N 1.281 121.442 119.950 0.353 0.000 2.270 502 F HA -0.061 4.466 4.527 -0.002 0.000 0.295 502 F C 1.852 177.825 175.800 0.287 0.000 1.087 502 F CA 1.422 59.563 58.000 0.235 0.000 1.365 502 F CB -0.536 38.530 39.000 0.110 0.000 1.056 502 F HN 0.085 nan 8.300 nan 0.000 0.506 503 D N -1.081 119.731 120.400 0.687 0.000 2.213 503 D HA -0.094 4.545 4.640 -0.001 0.000 0.205 503 D C 1.985 178.606 176.300 0.535 0.000 0.961 503 D CA 1.069 55.496 54.000 0.711 0.000 0.853 503 D CB -0.699 40.515 40.800 0.690 0.000 0.967 503 D HN 0.250 nan 8.370 nan 0.000 0.496 504 S N -0.271 115.737 115.700 0.514 0.000 2.603 504 S HA 0.017 4.487 4.470 -0.001 0.000 0.229 504 S C 1.443 176.358 174.600 0.525 0.000 0.972 504 S CA -0.044 58.480 58.200 0.539 0.000 0.935 504 S CB -0.196 63.279 63.200 0.459 0.000 0.769 504 S HN 0.078 nan 8.310 nan 0.000 0.536 505 S N 1.289 117.201 115.700 0.353 0.000 2.631 505 S HA 0.162 4.632 4.470 -0.001 0.000 0.217 505 S C 0.642 175.298 174.600 0.093 0.000 0.958 505 S CA -0.123 58.162 58.200 0.141 0.000 0.920 505 S CB -0.447 62.451 63.200 -0.503 0.000 0.776 505 S HN 1.001 nan 8.310 nan 0.000 0.517 506 W N -0.402 120.743 121.300 -0.259 0.000 1.034 506 W HA 0.152 4.812 4.660 -0.000 0.000 0.168 506 W C 0.649 176.720 176.519 -0.748 0.000 0.698 506 W CA -0.417 56.541 57.345 -0.646 0.000 0.698 506 W CB -1.205 28.201 29.460 -0.089 0.000 0.803 506 W HN 0.332 nan 8.180 nan 0.000 0.426 507 Y N 2.182 121.912 120.300 -0.949 0.000 2.081 507 Y HA -0.339 4.211 4.550 -0.000 0.000 0.280 507 Y C 2.700 178.086 175.900 -0.857 0.000 1.163 507 Y CA 2.561 60.100 58.100 -0.935 0.000 1.135 507 Y CB -1.864 36.148 38.460 -0.747 0.000 0.970 507 Y HN -0.035 nan 8.280 nan 0.000 0.498 508 Y N -0.119 119.701 120.300 -0.799 0.000 2.264 508 Y HA -0.270 4.279 4.550 -0.001 0.000 0.282 508 Y C 1.985 177.863 175.900 -0.037 0.000 1.204 508 Y CA 1.424 59.351 58.100 -0.289 0.000 1.228 508 Y CB -1.464 36.780 38.460 -0.360 0.000 0.971 508 Y HN 0.288 nan 8.280 nan 0.000 0.538 509 L N -0.563 120.376 121.223 -0.473 0.000 2.209 509 L HA -0.020 4.320 4.340 -0.001 0.000 0.207 509 L C 2.758 179.507 176.870 -0.202 0.000 1.094 509 L CA 0.870 55.536 54.840 -0.289 0.000 0.790 509 L CB -0.273 41.562 42.059 -0.373 0.000 0.932 509 L HN 0.096 nan 8.230 nan 0.000 0.447 510 R N -0.432 119.932 120.500 -0.227 0.000 2.092 510 R HA -0.189 4.151 4.340 -0.001 0.000 0.231 510 R C 2.027 178.279 176.300 -0.080 0.000 1.119 510 R CA 1.668 57.689 56.100 -0.131 0.000 0.970 510 R CB -0.695 29.421 30.300 -0.306 0.000 0.864 510 R HN 0.213 nan 8.270 nan 0.000 0.440 511 Y N 0.415 120.679 120.300 -0.059 0.000 2.384 511 Y HA -0.176 4.373 4.550 -0.002 0.000 0.289 511 Y C 2.228 178.006 175.900 -0.203 0.000 1.152 511 Y CA 1.697 59.715 58.100 -0.136 0.000 1.258 511 Y CB -1.067 37.301 38.460 -0.153 0.000 0.979 511 Y HN 0.278 nan 8.280 nan 0.000 0.549 512 T N -3.381 111.180 114.554 0.011 0.000 3.118 512 T HA -0.019 4.331 4.350 -0.001 0.000 0.260 512 T C 0.419 175.127 174.700 0.014 0.000 1.139 512 T CA 1.034 63.108 62.100 -0.042 0.000 1.085 512 T CB 0.034 68.952 68.868 0.083 0.000 0.934 512 T HN 0.172 nan 8.240 nan 0.000 0.518 513 D N 0.904 121.317 120.400 0.022 0.000 3.443 513 D HA 0.154 4.793 4.640 -0.001 0.000 0.243 513 D C -2.360 173.948 176.300 0.013 0.000 1.446 513 D CA -1.136 52.889 54.000 0.041 0.000 0.880 513 D CB 1.167 42.041 40.800 0.124 0.000 1.470 513 D HN 0.031 nan 8.370 nan 0.000 0.658 514 P HA -0.078 nan 4.420 nan 0.000 0.225 514 P C -0.018 177.215 177.300 -0.112 0.000 1.148 514 P CA 0.792 63.790 63.100 -0.170 0.000 0.779 514 P CB -0.017 31.481 31.700 -0.337 0.000 0.780 515 H N -0.818 118.331 119.070 0.132 0.000 2.471 515 H HA 0.297 4.852 4.556 -0.001 0.000 0.234 515 H C 0.001 175.410 175.328 0.135 0.000 1.388 515 H CA -0.639 55.490 56.048 0.135 0.000 1.198 515 H CB -0.103 29.721 29.762 0.103 0.000 1.714 515 H HN -0.025 nan 8.280 nan 0.000 0.536 516 N N 1.988 120.830 118.700 0.237 0.000 2.446 516 N HA -0.012 4.728 4.740 -0.001 0.000 0.265 516 N C -0.022 175.668 175.510 0.299 0.000 0.975 516 N CA -0.262 52.886 53.050 0.164 0.000 0.928 516 N CB 1.308 39.803 38.487 0.014 0.000 1.160 516 N HN 0.548 nan 8.380 nan 0.000 0.495 517 D N 2.793 123.369 120.400 0.293 0.000 2.349 517 D HA 0.060 4.700 4.640 -0.001 0.000 0.214 517 D C 0.809 177.389 176.300 0.467 0.000 1.063 517 D CA 0.168 54.411 54.000 0.405 0.000 0.847 517 D CB 0.550 41.474 40.800 0.207 0.000 0.933 517 D HN 0.401 nan 8.370 nan 0.000 0.513 518 R N -0.186 120.488 120.500 0.289 0.000 2.195 518 R HA 0.385 4.725 4.340 -0.001 0.000 0.197 518 R C 0.604 176.900 176.300 -0.007 0.000 0.990 518 R CA 0.178 56.401 56.100 0.206 0.000 1.048 518 R CB 1.134 31.484 30.300 0.085 0.000 0.997 518 R HN 0.153 nan 8.270 nan 0.000 0.502 519 L N -0.372 120.528 121.223 -0.537 0.000 2.415 519 L HA 0.324 4.664 4.340 -0.001 0.000 0.256 519 L C -2.097 173.616 176.870 -1.928 0.000 1.010 519 L CA -2.128 51.919 54.840 -1.322 0.000 0.826 519 L CB 3.056 44.643 42.059 -0.787 0.000 1.405 519 L HN -0.285 nan 8.230 nan 0.000 0.410 520 P HA -0.082 nan 4.420 nan 0.000 0.221 520 P C -0.990 176.012 177.300 -0.497 0.000 1.145 520 P CA 1.247 63.404 63.100 -1.572 0.000 0.795 520 P CB 0.091 31.056 31.700 -1.224 0.000 0.775 521 F N -4.905 114.750 119.950 -0.492 0.000 2.843 521 F HA 0.392 4.918 4.527 -0.001 0.000 0.323 521 F C -1.826 173.879 175.800 -0.158 0.000 1.142 521 F CA -1.966 55.915 58.000 -0.198 0.000 0.925 521 F CB 0.132 39.117 39.000 -0.025 0.000 1.277 521 F HN -0.425 nan 8.300 nan 0.000 0.446 522 D N 2.940 123.473 120.400 0.221 0.000 2.277 522 D HA 0.464 5.104 4.640 -0.001 0.000 0.249 522 D C -1.961 174.525 176.300 0.311 0.000 1.134 522 D CA -2.349 51.737 54.000 0.144 0.000 0.863 522 D CB 1.904 42.770 40.800 0.110 0.000 1.143 522 D HN 0.254 nan 8.370 nan 0.000 0.458 523 P HA -0.186 nan 4.420 nan 0.000 0.214 523 P C 1.089 178.510 177.300 0.202 0.000 1.163 523 P CA 1.302 64.568 63.100 0.277 0.000 0.889 523 P CB 0.155 31.943 31.700 0.147 0.000 0.790 524 E N 0.122 120.405 120.200 0.138 0.000 2.114 524 E HA -0.279 4.071 4.350 -0.001 0.000 0.199 524 E C 1.727 178.403 176.600 0.126 0.000 1.008 524 E CA 1.568 58.033 56.400 0.108 0.000 0.810 524 E CB -0.160 29.590 29.700 0.083 0.000 0.739 524 E HN 0.178 nan 8.360 nan 0.000 0.456 525 K N -0.065 120.435 120.400 0.167 0.000 1.973 525 K HA -0.072 4.248 4.320 -0.001 0.000 0.210 525 K C 2.307 179.059 176.600 0.253 0.000 1.045 525 K CA 0.971 57.386 56.287 0.213 0.000 0.937 525 K CB -0.280 32.350 32.500 0.217 0.000 0.721 525 K HN 0.149 nan 8.250 nan 0.000 0.438 526 A N 2.359 125.303 122.820 0.206 0.000 1.948 526 A HA -0.233 4.087 4.320 -0.001 0.000 0.220 526 A C 1.777 179.455 177.584 0.156 0.000 1.177 526 A CA 1.883 53.999 52.037 0.131 0.000 0.636 526 A CB -0.637 18.268 19.000 -0.158 0.000 0.815 526 A HN 0.290 nan 8.150 nan 0.000 0.449 527 N N 0.119 118.897 118.700 0.131 0.000 2.289 527 N HA -0.057 4.683 4.740 -0.001 0.000 0.184 527 N C 1.619 177.154 175.510 0.041 0.000 1.016 527 N CA 1.308 54.411 53.050 0.088 0.000 0.872 527 N CB -0.412 38.122 38.487 0.079 0.000 0.973 527 N HN 0.523 nan 8.380 nan 0.000 0.433 528 A N -1.362 121.471 122.820 0.022 0.000 2.123 528 A HA 0.046 4.366 4.320 -0.001 0.000 0.214 528 A C 1.514 178.906 177.584 -0.319 0.000 1.152 528 A CA 0.288 52.226 52.037 -0.165 0.000 0.728 528 A CB -0.392 18.477 19.000 -0.218 0.000 0.814 528 A HN 0.329 nan 8.150 nan 0.000 0.464 529 W N -1.328 120.028 121.300 0.093 0.000 2.871 529 W HA 0.346 5.006 4.660 -0.000 0.000 0.267 529 W C 0.676 177.338 176.519 0.238 0.000 1.180 529 W CA -0.421 57.027 57.345 0.171 0.000 1.463 529 W CB 0.227 29.795 29.460 0.180 0.000 0.966 529 W HN -0.020 nan 8.180 nan 0.000 0.605 530 M N 2.680 122.468 119.600 0.312 0.000 2.228 530 M HA 0.200 4.679 4.480 -0.001 0.000 0.326 530 M C -1.736 174.597 176.300 0.055 0.000 1.122 530 M CA -1.754 53.629 55.300 0.138 0.000 1.161 530 M CB -0.490 32.158 32.600 0.079 0.000 1.437 530 M HN -0.269 nan 8.290 nan 0.000 0.465 531 P HA 0.238 nan 4.420 nan 0.000 0.293 531 P C -0.713 176.501 177.300 -0.142 0.000 1.304 531 P CA -0.514 62.541 63.100 -0.074 0.000 0.767 531 P CB 0.624 32.276 31.700 -0.081 0.000 1.247 532 V N 2.140 121.883 119.914 -0.285 0.000 2.397 532 V HA -0.026 4.094 4.120 -0.001 0.000 0.262 532 V C 1.014 177.017 176.094 -0.152 0.000 1.047 532 V CA 0.648 62.681 62.300 -0.445 0.000 1.003 532 V CB -0.749 30.755 31.823 -0.533 0.000 1.037 532 V HN 0.452 nan 8.190 nan 0.000 0.480 533 D N 2.926 123.291 120.400 -0.058 0.000 2.104 533 D HA -0.118 4.522 4.640 -0.001 0.000 0.194 533 D C 1.024 177.315 176.300 -0.015 0.000 0.994 533 D CA 1.350 55.335 54.000 -0.026 0.000 0.830 533 D CB 0.098 40.882 40.800 -0.027 0.000 0.959 533 D HN 0.546 nan 8.370 nan 0.000 0.452 534 Q N -1.284 118.517 119.800 0.002 0.000 2.375 534 Q HA 0.418 4.758 4.340 -0.001 0.000 0.271 534 Q C -1.980 174.049 176.000 0.049 0.000 1.074 534 Q CA -0.907 54.906 55.803 0.016 0.000 0.808 534 Q CB 1.421 30.161 28.738 0.003 0.000 1.327 534 Q HN 0.176 nan 8.270 nan 0.000 0.441 535 Y N 4.021 124.221 120.300 -0.167 0.000 2.535 535 Y HA 0.475 5.025 4.550 0.000 0.000 0.341 535 Y C -1.501 174.282 175.900 -0.196 0.000 1.041 535 Y CA -0.961 56.979 58.100 -0.267 0.000 1.307 535 Y CB 0.531 38.687 38.460 -0.507 0.000 1.095 535 Y HN 0.639 nan 8.280 nan 0.000 0.534 536 I N 4.793 125.161 120.570 -0.337 0.000 2.496 536 I HA 0.608 4.777 4.170 -0.001 0.000 0.285 536 I C 0.859 176.691 176.117 -0.475 0.000 1.080 536 I CA 0.764 61.899 61.300 -0.276 0.000 1.404 536 I CB 0.690 38.557 38.000 -0.222 0.000 1.403 536 I HN 0.721 nan 8.210 nan 0.000 0.539 537 G N 3.078 111.707 108.800 -0.285 0.000 2.494 537 G HA2 0.670 4.630 3.960 -0.001 0.000 0.308 537 G HA3 0.670 4.630 3.960 -0.001 0.000 0.308 537 G C -1.150 173.703 174.900 -0.079 0.000 1.263 537 G CA -0.213 44.731 45.100 -0.260 0.000 0.840 537 G HN 0.798 nan 8.290 nan 0.000 0.479 538 G N -1.549 107.241 108.800 -0.016 0.000 2.498 538 G HA2 0.562 4.522 3.960 -0.001 0.000 0.312 538 G HA3 0.562 4.522 3.960 -0.001 0.000 0.312 538 G C 0.273 175.172 174.900 -0.001 0.000 1.230 538 G CA 0.129 45.231 45.100 0.003 0.000 0.968 538 G HN 1.166 nan 8.290 nan 0.000 0.481 539 V N 0.775 120.675 119.914 -0.024 0.000 3.380 539 V HA -0.021 4.098 4.120 -0.001 0.000 0.268 539 V C 2.333 178.395 176.094 -0.054 0.000 1.168 539 V CA 1.768 64.050 62.300 -0.030 0.000 1.156 539 V CB -0.323 31.480 31.823 -0.033 0.000 0.785 539 V HN 0.831 nan 8.190 nan 0.000 0.487 540 E N -0.806 119.326 120.200 -0.113 0.000 2.515 540 E HA -0.200 4.149 4.350 -0.001 0.000 0.201 540 E C 0.649 177.103 176.600 -0.243 0.000 1.071 540 E CA 0.949 57.245 56.400 -0.174 0.000 0.880 540 E CB -0.459 29.130 29.700 -0.185 0.000 0.828 540 E HN 0.733 nan 8.360 nan 0.000 0.540 541 H N 0.127 119.238 119.070 0.067 0.000 2.503 541 H HA 0.466 5.021 4.556 -0.001 0.000 0.296 541 H C 1.281 176.573 175.328 -0.060 0.000 1.097 541 H CA 0.251 56.332 56.048 0.054 0.000 1.055 541 H CB 0.477 30.376 29.762 0.228 0.000 1.580 541 H HN 0.270 nan 8.280 nan 0.000 0.546 542 A N 0.940 123.738 122.820 -0.036 0.000 1.851 542 A HA -0.157 4.163 4.320 -0.001 0.000 0.216 542 A C 2.169 179.625 177.584 -0.213 0.000 1.195 542 A CA 2.402 54.390 52.037 -0.081 0.000 0.622 542 A CB -0.693 18.250 19.000 -0.095 0.000 0.831 542 A HN 0.283 nan 8.150 nan 0.000 0.444 543 V N -3.102 116.562 119.914 -0.417 0.000 3.647 543 V HA 0.332 4.451 4.120 -0.001 0.000 0.279 543 V C 1.452 177.005 176.094 -0.902 0.000 1.314 543 V CA 0.280 62.134 62.300 -0.743 0.000 1.125 543 V CB -0.791 30.265 31.823 -1.279 0.000 0.907 543 V HN 0.370 nan 8.190 nan 0.000 0.434 544 L N -0.470 120.331 121.223 -0.704 0.000 2.578 544 L HA 0.387 4.726 4.340 -0.001 0.000 0.193 544 L C 2.391 178.794 176.870 -0.778 0.000 1.422 544 L CA 0.592 54.846 54.840 -0.976 0.000 2.947 544 L CB -0.842 40.801 42.059 -0.693 0.000 2.780 544 L HN 0.223 nan 8.230 nan 0.000 1.031 545 H N 0.478 119.356 119.070 -0.319 0.000 2.325 545 H HA -0.204 4.352 4.556 -0.000 0.000 0.293 545 H C 1.857 177.230 175.328 0.077 0.000 1.106 545 H CA 2.180 58.260 56.048 0.052 0.000 1.247 545 H CB -0.342 29.485 29.762 0.108 0.000 1.359 545 H HN 0.211 nan 8.280 nan 0.000 0.488 546 L N -0.623 120.509 121.223 -0.153 0.000 2.362 546 L HA -0.086 4.254 4.340 -0.001 0.000 0.219 546 L C 2.182 179.003 176.870 -0.082 0.000 1.134 546 L CA 0.326 55.125 54.840 -0.069 0.000 0.807 546 L CB -0.255 41.872 42.059 0.114 0.000 0.927 546 L HN 0.295 nan 8.230 nan 0.000 0.447 547 L N -1.146 119.917 121.223 -0.266 0.000 2.115 547 L HA -0.071 4.269 4.340 -0.001 0.000 0.200 547 L C 2.385 179.151 176.870 -0.173 0.000 1.094 547 L CA 1.648 56.315 54.840 -0.290 0.000 0.769 547 L CB -0.901 40.839 42.059 -0.532 0.000 0.931 547 L HN 0.018 nan 8.230 nan 0.000 0.455 548 Y N 0.467 120.637 120.300 -0.217 0.000 2.132 548 Y HA -0.259 4.290 4.550 -0.002 0.000 0.280 548 Y C 2.821 178.794 175.900 0.121 0.000 1.193 548 Y CA 1.467 59.490 58.100 -0.127 0.000 1.157 548 Y CB -1.745 36.519 38.460 -0.327 0.000 0.966 548 Y HN 0.250 nan 8.280 nan 0.000 0.511 549 S N -0.167 115.614 115.700 0.135 0.000 2.382 549 S HA -0.190 4.279 4.470 -0.001 0.000 0.228 549 S C 2.020 176.629 174.600 0.016 0.000 1.027 549 S CA 1.308 59.563 58.200 0.092 0.000 0.991 549 S CB -0.282 62.811 63.200 -0.179 0.000 0.823 549 S HN 0.462 nan 8.310 nan 0.000 0.469 550 R N 0.023 120.479 120.500 -0.074 0.000 2.075 550 R HA -0.039 4.301 4.340 -0.001 0.000 0.232 550 R C 2.122 178.462 176.300 0.067 0.000 1.126 550 R CA 1.356 57.398 56.100 -0.097 0.000 0.963 550 R CB -0.491 29.731 30.300 -0.131 0.000 0.858 550 R HN 0.420 nan 8.270 nan 0.000 0.435 551 F N 1.310 121.252 119.950 -0.013 0.000 2.010 551 F HA -0.209 4.317 4.527 -0.001 0.000 0.296 551 F C 1.848 177.641 175.800 -0.012 0.000 1.146 551 F CA 1.200 59.160 58.000 -0.067 0.000 1.181 551 F CB -1.033 37.989 39.000 0.037 0.000 0.965 551 F HN -0.161 nan 8.300 nan 0.000 0.480 552 F N 1.241 120.966 119.950 -0.375 0.000 2.115 552 F HA -0.281 4.246 4.527 0.000 0.000 0.300 552 F C 2.625 178.385 175.800 -0.066 0.000 1.092 552 F CA 2.395 60.200 58.000 -0.325 0.000 1.245 552 F CB -1.325 37.656 39.000 -0.032 0.000 0.995 552 F HN 0.030 nan 8.300 nan 0.000 0.481 553 T N -1.102 113.569 114.554 0.196 0.000 2.904 553 T HA -0.154 4.196 4.350 -0.001 0.000 0.267 553 T C 1.918 176.673 174.700 0.091 0.000 1.059 553 T CA 1.225 63.417 62.100 0.153 0.000 1.137 553 T CB -0.121 68.775 68.868 0.046 0.000 0.879 553 T HN 0.133 nan 8.240 nan 0.000 0.467 554 K N 0.406 120.824 120.400 0.031 0.000 2.025 554 K HA 0.030 4.350 4.320 -0.001 0.000 0.207 554 K C 1.853 178.504 176.600 0.084 0.000 1.049 554 K CA 0.967 57.309 56.287 0.091 0.000 0.933 554 K CB -0.319 32.241 32.500 0.100 0.000 0.714 554 K HN 0.245 nan 8.250 nan 0.000 0.438 555 F N 1.615 121.385 119.950 -0.301 0.000 2.069 555 F HA -0.187 4.339 4.527 -0.001 0.000 0.298 555 F C 1.546 177.299 175.800 -0.078 0.000 1.113 555 F CA 1.507 59.350 58.000 -0.263 0.000 1.214 555 F CB -0.377 38.234 39.000 -0.648 0.000 0.978 555 F HN -0.091 nan 8.300 nan 0.000 0.474 556 L N -0.301 120.773 121.223 -0.249 0.000 2.191 556 L HA -0.263 4.077 4.340 -0.001 0.000 0.212 556 L C 2.721 179.530 176.870 -0.101 0.000 1.103 556 L CA 1.630 56.353 54.840 -0.195 0.000 0.769 556 L CB -1.135 41.025 42.059 0.168 0.000 0.908 556 L HN 0.409 nan 8.230 nan 0.000 0.438 557 H N 0.413 119.434 119.070 -0.083 0.000 2.389 557 H HA -0.158 4.397 4.556 -0.001 0.000 0.299 557 H C 1.393 176.680 175.328 -0.068 0.000 1.081 557 H CA 1.563 57.593 56.048 -0.030 0.000 1.345 557 H CB 0.300 30.067 29.762 0.008 0.000 1.393 557 H HN 0.340 nan 8.280 nan 0.000 0.520 558 D N 0.904 121.147 120.400 -0.262 0.000 2.219 558 D HA -0.090 4.549 4.640 -0.001 0.000 0.205 558 D C 2.321 178.438 176.300 -0.305 0.000 0.970 558 D CA 0.441 54.280 54.000 -0.268 0.000 0.851 558 D CB -0.073 40.681 40.800 -0.077 0.000 0.943 558 D HN 0.431 nan 8.370 nan 0.000 0.488 559 L N -0.431 120.560 121.223 -0.387 0.000 2.478 559 L HA 0.104 4.444 4.340 -0.001 0.000 0.223 559 L C 1.432 178.187 176.870 -0.191 0.000 1.140 559 L CA 0.554 55.211 54.840 -0.305 0.000 0.842 559 L CB -0.244 41.599 42.059 -0.360 0.000 0.953 559 L HN 0.117 nan 8.230 nan 0.000 0.452 560 G N -0.447 108.228 108.800 -0.208 0.000 2.132 560 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.228 560 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.228 560 G C 0.669 175.543 174.900 -0.044 0.000 1.000 560 G CA 0.430 45.445 45.100 -0.142 0.000 0.693 560 G HN 0.287 nan 8.290 nan 0.000 0.515 561 M N -0.979 118.617 119.600 -0.007 0.000 2.534 561 M HA 0.250 4.729 4.480 -0.001 0.000 0.263 561 M C 0.546 177.012 176.300 0.277 0.000 1.152 561 M CA 0.915 56.275 55.300 0.099 0.000 1.145 561 M CB 0.741 33.347 32.600 0.010 0.000 1.333 561 M HN 0.058 nan 8.290 nan 0.000 0.477 562 V N 0.658 120.720 119.914 0.247 0.000 2.540 562 V HA 0.204 4.323 4.120 -0.001 0.000 0.302 562 V C 0.663 176.922 176.094 0.274 0.000 1.035 562 V CA -0.731 61.722 62.300 0.255 0.000 0.873 562 V CB 2.129 34.098 31.823 0.243 0.000 0.992 562 V HN 0.178 nan 8.190 nan 0.000 0.428 563 K N 2.947 123.466 120.400 0.199 0.000 2.031 563 K HA -0.021 4.299 4.320 -0.001 0.000 0.205 563 K C 1.006 177.658 176.600 0.087 0.000 1.049 563 K CA 1.344 57.747 56.287 0.193 0.000 0.939 563 K CB 0.242 32.802 32.500 0.101 0.000 0.717 563 K HN 0.703 nan 8.250 nan 0.000 0.438 564 V N -0.405 119.511 119.914 0.004 0.000 3.893 564 V HA -0.000 4.119 4.120 -0.001 0.000 0.284 564 V C 0.559 176.501 176.094 -0.253 0.000 1.040 564 V CA 0.283 62.517 62.300 -0.111 0.000 1.050 564 V CB 0.631 32.404 31.823 -0.084 0.000 1.209 564 V HN 0.330 nan 8.190 nan 0.000 0.457 565 E N -1.618 118.426 120.200 -0.261 0.000 2.665 565 E HA 0.232 4.581 4.350 -0.001 0.000 0.225 565 E C -0.517 175.961 176.600 -0.204 0.000 0.922 565 E CA -0.172 56.058 56.400 -0.283 0.000 1.242 565 E CB 0.900 30.398 29.700 -0.338 0.000 1.197 565 E HN 0.745 nan 8.360 nan 0.000 0.581 566 E N 1.546 121.617 120.200 -0.215 0.000 2.218 566 E HA 0.176 4.525 4.350 -0.001 0.000 0.263 566 E C -1.964 174.459 176.600 -0.294 0.000 0.879 566 E CA -1.840 54.403 56.400 -0.262 0.000 0.762 566 E CB 2.294 31.850 29.700 -0.240 0.000 1.166 566 E HN -0.072 nan 8.360 nan 0.000 0.415 567 P HA -0.030 nan 4.420 nan 0.000 0.215 567 P C 0.187 177.239 177.300 -0.414 0.000 1.157 567 P CA 0.867 63.569 63.100 -0.664 0.000 0.859 567 P CB 0.185 31.065 31.700 -1.366 0.000 0.786 568 F N 0.896 120.646 119.950 -0.332 0.000 2.313 568 F HA 0.426 4.953 4.527 -0.000 0.000 0.369 568 F C 1.924 177.755 175.800 0.051 0.000 1.109 568 F CA -1.507 56.316 58.000 -0.296 0.000 1.132 568 F CB -0.200 38.473 39.000 -0.545 0.000 1.291 568 F HN -0.071 nan 8.300 nan 0.000 0.496 569 Q N 2.423 122.303 119.800 0.133 0.000 1.967 569 Q HA 0.031 4.371 4.340 -0.001 0.000 0.202 569 Q C 1.121 177.244 176.000 0.204 0.000 0.985 569 Q CA 1.432 57.317 55.803 0.136 0.000 0.839 569 Q CB -0.009 28.748 28.738 0.031 0.000 0.906 569 Q HN 0.857 nan 8.270 nan 0.000 0.423 570 G N -0.110 108.746 108.800 0.093 0.000 2.461 570 G HA2 0.511 4.470 3.960 -0.001 0.000 0.329 570 G HA3 0.511 4.470 3.960 -0.001 0.000 0.329 570 G C -1.635 173.232 174.900 -0.055 0.000 1.170 570 G CA -0.481 44.651 45.100 0.053 0.000 0.935 570 G HN 0.268 nan 8.290 nan 0.000 0.492 571 L N 0.375 121.517 121.223 -0.135 0.000 2.753 571 L HA 0.575 4.915 4.340 -0.001 0.000 0.259 571 L C -1.992 174.767 176.870 -0.184 0.000 0.958 571 L CA -0.814 53.882 54.840 -0.239 0.000 0.955 571 L CB 1.089 42.721 42.059 -0.710 0.000 1.317 571 L HN 0.432 nan 8.230 nan 0.000 0.436 572 F N 3.365 123.211 119.950 -0.173 0.000 2.379 572 F HA 0.770 5.296 4.527 -0.002 0.000 0.332 572 F C 0.504 176.211 175.800 -0.155 0.000 1.096 572 F CA 0.257 58.170 58.000 -0.144 0.000 1.105 572 F CB 1.762 40.687 39.000 -0.125 0.000 1.189 572 F HN 0.652 nan 8.300 nan 0.000 0.515 573 T N 3.477 117.898 114.554 -0.222 0.000 3.241 573 T HA 0.302 4.651 4.350 -0.001 0.000 0.387 573 T C -0.470 174.379 174.700 0.249 0.000 1.451 573 T CA -0.961 61.151 62.100 0.021 0.000 1.363 573 T CB 0.379 69.168 68.868 -0.131 0.000 1.074 573 T HN 0.482 nan 8.240 nan 0.000 0.598 574 Q N 1.459 121.559 119.800 0.500 0.000 2.450 574 Q HA 0.305 4.644 4.340 -0.001 0.000 0.294 574 Q C 0.802 176.916 176.000 0.189 0.000 1.129 574 Q CA 0.361 56.383 55.803 0.365 0.000 0.970 574 Q CB 0.259 29.062 28.738 0.108 0.000 1.294 574 Q HN 0.846 nan 8.270 nan 0.000 0.453 575 G N 0.705 109.596 108.800 0.153 0.000 2.461 575 G HA2 0.470 4.429 3.960 -0.001 0.000 0.329 575 G HA3 0.470 4.429 3.960 -0.001 0.000 0.329 575 G C 0.168 175.114 174.900 0.078 0.000 1.170 575 G CA -0.789 44.367 45.100 0.094 0.000 0.935 575 G HN 0.375 nan 8.290 nan 0.000 0.492 576 M N -0.515 119.122 119.600 0.061 0.000 2.189 576 M HA 0.006 4.486 4.480 -0.001 0.000 0.285 576 M C -0.043 176.294 176.300 0.061 0.000 1.053 576 M CA 0.619 55.954 55.300 0.058 0.000 1.091 576 M CB 0.250 32.876 32.600 0.043 0.000 1.361 576 M HN 0.097 nan 8.290 nan 0.000 0.416 577 V N 2.405 122.350 119.914 0.051 0.000 2.577 577 V HA 0.438 4.558 4.120 -0.001 0.000 0.303 577 V C -0.419 175.695 176.094 0.033 0.000 1.042 577 V CA -0.688 61.649 62.300 0.061 0.000 0.872 577 V CB 1.985 33.842 31.823 0.057 0.000 0.998 577 V HN 0.613 nan 8.190 nan 0.000 0.423 578 L N 3.432 124.692 121.223 0.061 0.000 2.298 578 L HA 1.032 5.371 4.340 -0.001 0.000 0.268 578 L C 0.150 177.078 176.870 0.097 0.000 1.010 578 L CA -0.358 54.506 54.840 0.040 0.000 0.812 578 L CB 1.842 43.904 42.059 0.006 0.000 1.331 578 L HN 0.816 nan 8.230 nan 0.000 0.450 579 A N -0.592 122.278 122.820 0.084 0.000 2.532 579 A HA 0.487 4.806 4.320 -0.001 0.000 0.296 579 A C -2.068 175.657 177.584 0.234 0.000 1.058 579 A CA -0.694 51.466 52.037 0.204 0.000 0.729 579 A CB 0.168 19.278 19.000 0.183 0.000 1.285 579 A HN 0.508 nan 8.150 nan 0.000 0.396 580 W N 2.003 123.464 121.300 0.269 0.000 2.476 580 W HA 0.317 4.974 4.660 -0.005 0.000 0.338 580 W C 0.621 177.454 176.519 0.523 0.000 1.328 580 W CA 1.580 59.157 57.345 0.386 0.000 1.300 580 W CB 0.591 30.256 29.460 0.342 0.000 1.252 580 W HN 0.590 nan 8.180 nan 0.000 0.568 581 T N 3.874 118.786 114.554 0.597 0.000 2.885 581 T HA 0.072 4.421 4.350 -0.001 0.000 0.285 581 T C -0.694 173.880 174.700 -0.209 0.000 1.019 581 T CA -0.770 61.441 62.100 0.186 0.000 1.010 581 T CB 1.336 70.163 68.868 -0.069 0.000 1.022 581 T HN 0.183 nan 8.240 nan 0.000 0.466 582 D N 1.156 120.963 120.400 -0.988 0.000 2.312 582 D HA 0.193 4.832 4.640 -0.001 0.000 0.252 582 D C -0.212 175.603 176.300 -0.808 0.000 1.150 582 D CA -0.308 52.834 54.000 -1.430 0.000 0.870 582 D CB 0.598 40.593 40.800 -1.342 0.000 1.153 582 D HN 0.414 nan 8.370 nan 0.000 0.457 583 F N 1.810 121.481 119.950 -0.465 0.000 2.731 583 F HA 0.322 4.867 4.527 0.030 0.000 0.298 583 F C 1.437 177.048 175.800 -0.315 0.000 1.106 583 F CA 0.747 58.579 58.000 -0.281 0.000 1.329 583 F CB 0.783 39.689 39.000 -0.157 0.000 1.100 583 F HN 0.607 nan 8.300 nan 0.000 0.592 584 G N 0.238 108.809 108.800 -0.382 0.000 2.347 584 G HA2 0.055 4.014 3.960 -0.001 0.000 0.477 584 G HA3 0.055 4.014 3.960 -0.001 0.000 0.477 584 G C -3.183 171.259 174.900 -0.763 0.000 1.349 584 G CA -1.310 43.443 45.100 -0.579 0.000 1.000 584 G HN -0.225 nan 8.290 nan 0.000 0.605 585 P HA 0.516 nan 4.420 nan 0.000 0.274 585 P C 0.100 177.354 177.300 -0.077 0.000 1.231 585 P CA 0.050 62.974 63.100 -0.294 0.000 0.790 585 P CB 1.676 33.325 31.700 -0.085 0.000 0.951 586 V N -1.319 118.619 119.914 0.040 0.000 3.102 586 V HA 0.568 4.687 4.120 -0.001 0.000 0.312 586 V C -0.586 175.548 176.094 0.067 0.000 1.135 586 V CA -1.007 61.322 62.300 0.049 0.000 1.022 586 V CB 2.185 34.051 31.823 0.071 0.000 1.056 586 V HN 0.469 nan 8.190 nan 0.000 0.436 587 E N 1.360 121.592 120.200 0.053 0.000 2.683 587 E HA 0.503 4.853 4.350 -0.001 0.000 0.224 587 E C -1.028 175.602 176.600 0.051 0.000 1.046 587 E CA -0.444 55.987 56.400 0.053 0.000 0.811 587 E CB 1.503 31.228 29.700 0.040 0.000 1.296 587 E HN 0.726 nan 8.360 nan 0.000 0.421 588 V N 2.814 122.764 119.914 0.060 0.000 2.585 588 V HA 0.038 4.158 4.120 -0.001 0.000 0.296 588 V C 0.343 176.464 176.094 0.045 0.000 1.035 588 V CA 0.395 62.727 62.300 0.054 0.000 1.084 588 V CB 1.047 32.907 31.823 0.062 0.000 0.953 588 V HN 0.563 nan 8.190 nan 0.000 0.483 589 E N 3.675 123.898 120.200 0.038 0.000 2.914 589 E HA 0.514 4.863 4.350 -0.001 0.000 0.246 589 E C 0.344 176.962 176.600 0.029 0.000 1.146 589 E CA 0.566 56.986 56.400 0.032 0.000 0.803 589 E CB 0.558 30.276 29.700 0.029 0.000 1.409 589 E HN 0.879 nan 8.360 nan 0.000 0.392 590 G N 2.472 111.290 108.800 0.030 0.000 3.127 590 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.280 590 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.280 590 G C 0.943 175.861 174.900 0.029 0.000 1.491 590 G CA 0.660 45.776 45.100 0.027 0.000 1.029 590 G HN 1.088 nan 8.290 nan 0.000 0.582 591 S N -0.513 115.203 115.700 0.027 0.000 2.559 591 S HA 0.535 5.005 4.470 -0.001 0.000 0.226 591 S C 0.582 175.200 174.600 0.029 0.000 1.030 591 S CA 0.933 59.150 58.200 0.028 0.000 0.956 591 S CB 0.755 63.969 63.200 0.024 0.000 0.900 591 S HN 1.379 nan 8.310 nan 0.000 0.510 592 V N 2.682 122.612 119.914 0.027 0.000 2.408 592 V HA 0.403 4.523 4.120 -0.001 0.000 0.267 592 V C 0.003 176.115 176.094 0.031 0.000 1.047 592 V CA -0.632 61.684 62.300 0.026 0.000 0.937 592 V CB 1.067 32.904 31.823 0.023 0.000 0.999 592 V HN 0.264 nan 8.190 nan 0.000 0.472 593 V N 5.879 125.812 119.914 0.032 0.000 2.154 593 V HA 0.263 4.383 4.120 -0.001 0.000 0.265 593 V C 0.873 176.986 176.094 0.030 0.000 1.293 593 V CA -0.397 61.925 62.300 0.037 0.000 1.205 593 V CB -0.166 31.683 31.823 0.043 0.000 1.306 593 V HN 0.836 nan 8.190 nan 0.000 0.479 594 R N 2.836 123.353 120.500 0.028 0.000 2.585 594 R HA 0.277 4.616 4.340 -0.001 0.000 0.275 594 R C -0.744 175.569 176.300 0.021 0.000 1.018 594 R CA 0.137 56.251 56.100 0.023 0.000 1.072 594 R CB 0.392 30.705 30.300 0.023 0.000 0.953 594 R HN 0.544 nan 8.270 nan 0.000 0.419 595 L N 6.879 128.111 121.223 0.014 0.000 2.313 595 L HA 0.474 4.814 4.340 -0.001 0.000 0.283 595 L C -1.892 174.982 176.870 0.006 0.000 1.013 595 L CA -2.292 52.554 54.840 0.009 0.000 0.816 595 L CB 1.842 43.903 42.059 0.004 0.000 1.236 595 L HN 0.551 nan 8.230 nan 0.000 0.419 596 P HA 0.105 nan 4.420 nan 0.000 0.275 596 P C 0.101 177.399 177.300 -0.003 0.000 1.227 596 P CA -0.368 62.731 63.100 -0.000 0.000 0.781 596 P CB 1.361 33.058 31.700 -0.006 0.000 0.906 597 E N 2.577 122.777 120.200 0.001 0.000 2.114 597 E HA -0.181 4.168 4.350 -0.001 0.000 0.199 597 E C -0.771 175.829 176.600 0.000 0.000 1.008 597 E CA 2.033 58.435 56.400 0.003 0.000 0.810 597 E CB -2.085 27.618 29.700 0.005 0.000 0.739 597 E HN 0.503 nan 8.360 nan 0.000 0.456 598 P HA -0.097 nan 4.420 nan 0.000 0.215 598 P C 1.468 178.760 177.300 -0.013 0.000 1.153 598 P CA 1.687 64.779 63.100 -0.013 0.000 0.853 598 P CB -0.084 31.601 31.700 -0.025 0.000 0.788 599 T N -0.743 113.799 114.554 -0.020 0.000 2.668 599 T HA -0.151 4.199 4.350 -0.001 0.000 0.262 599 T C 1.850 176.569 174.700 0.032 0.000 1.045 599 T CA 1.199 63.296 62.100 -0.005 0.000 1.152 599 T CB -0.610 68.241 68.868 -0.028 0.000 0.864 599 T HN 0.107 nan 8.240 nan 0.000 0.419 600 R N 0.920 121.427 120.500 0.013 0.000 2.136 600 R HA -0.148 4.191 4.340 -0.001 0.000 0.242 600 R C 2.419 178.732 176.300 0.022 0.000 1.131 600 R CA 1.952 58.057 56.100 0.009 0.000 0.937 600 R CB -0.712 29.590 30.300 0.004 0.000 0.863 600 R HN 0.393 nan 8.270 nan 0.000 0.435 601 I N 0.276 120.860 120.570 0.023 0.000 2.185 601 I HA -0.340 3.830 4.170 -0.001 0.000 0.246 601 I C 2.836 178.986 176.117 0.055 0.000 1.088 601 I CA 1.667 62.985 61.300 0.029 0.000 1.347 601 I CB -0.369 37.643 38.000 0.021 0.000 1.041 601 I HN 0.325 nan 8.210 nan 0.000 0.415 602 R N 0.540 121.089 120.500 0.081 0.000 2.081 602 R HA -0.106 4.233 4.340 -0.001 0.000 0.235 602 R C 2.333 178.789 176.300 0.260 0.000 1.131 602 R CA 1.205 57.400 56.100 0.157 0.000 0.960 602 R CB -0.151 30.243 30.300 0.156 0.000 0.856 602 R HN 0.345 nan 8.270 nan 0.000 0.436 603 L N 0.715 122.032 121.223 0.157 0.000 2.201 603 L HA -0.086 4.254 4.340 -0.001 0.000 0.212 603 L C -0.060 176.791 176.870 -0.032 0.000 1.105 603 L CA 0.816 55.620 54.840 -0.060 0.000 0.775 603 L CB -0.260 41.709 42.059 -0.150 0.000 0.913 603 L HN 0.319 nan 8.230 nan 0.000 0.440 604 E N 1.082 121.291 120.200 0.014 0.000 2.442 604 E HA -0.206 4.144 4.350 -0.001 0.000 0.177 604 E C -0.562 176.031 176.600 -0.012 0.000 1.505 604 E CA 0.502 56.909 56.400 0.011 0.000 0.662 604 E CB -1.627 28.087 29.700 0.024 0.000 1.117 604 E HN 0.581 nan 8.360 nan 0.000 0.375 605 I N -3.059 117.502 120.570 -0.014 0.000 2.913 605 I HA 0.484 4.653 4.170 -0.001 0.000 0.302 605 I C -2.078 174.034 176.117 -0.008 0.000 1.246 605 I CA -2.332 58.957 61.300 -0.018 0.000 1.010 605 I CB 2.305 40.284 38.000 -0.035 0.000 1.259 605 I HN -0.206 nan 8.210 nan 0.000 0.434 606 P HA -0.003 nan 4.420 nan 0.000 0.218 606 P C 0.148 177.448 177.300 -0.000 0.000 1.152 606 P CA 0.925 64.025 63.100 0.000 0.000 0.826 606 P CB 0.240 31.941 31.700 0.002 0.000 0.790 607 E N 0.302 120.500 120.200 -0.003 0.000 2.452 607 E HA 0.100 4.449 4.350 -0.001 0.000 0.261 607 E C 0.508 177.107 176.600 -0.001 0.000 0.987 607 E CA 0.353 56.752 56.400 -0.002 0.000 0.926 607 E CB 0.100 29.797 29.700 -0.005 0.000 0.934 607 E HN 0.038 nan 8.360 nan 0.000 0.452 608 S N 1.156 116.857 115.700 0.003 0.000 2.663 608 S HA 0.438 4.908 4.470 -0.001 0.000 0.243 608 S C -0.446 174.158 174.600 0.007 0.000 1.009 608 S CA -0.153 58.050 58.200 0.005 0.000 0.988 608 S CB 0.821 64.025 63.200 0.007 0.000 0.896 608 S HN 0.567 nan 8.310 nan 0.000 0.502 609 A N 1.384 124.208 122.820 0.007 0.000 2.577 609 A HA 0.755 5.075 4.320 -0.001 0.000 0.297 609 A C -1.528 176.061 177.584 0.010 0.000 1.060 609 A CA -0.668 51.375 52.037 0.011 0.000 0.697 609 A CB 0.953 19.960 19.000 0.012 0.000 1.281 609 A HN 0.249 nan 8.150 nan 0.000 0.402 610 L N 0.826 122.057 121.223 0.013 0.000 2.341 610 L HA 0.799 5.138 4.340 -0.001 0.000 0.254 610 L C 0.442 177.324 176.870 0.020 0.000 1.040 610 L CA -0.957 53.891 54.840 0.013 0.000 0.837 610 L CB 2.322 44.388 42.059 0.011 0.000 1.425 610 L HN 0.872 nan 8.230 nan 0.000 0.414 611 S N -0.433 115.279 115.700 0.020 0.000 2.608 611 S HA 0.487 4.956 4.470 -0.001 0.000 0.291 611 S C 0.901 175.519 174.600 0.030 0.000 1.146 611 S CA -0.824 57.391 58.200 0.024 0.000 1.043 611 S CB 1.348 64.560 63.200 0.021 0.000 1.037 611 S HN 0.634 nan 8.310 nan 0.000 0.520 612 L N 1.092 122.336 121.223 0.034 0.000 2.197 612 L HA -0.207 4.132 4.340 -0.001 0.000 0.215 612 L C 2.530 179.424 176.870 0.041 0.000 1.095 612 L CA 1.729 56.594 54.840 0.042 0.000 0.764 612 L CB -0.826 41.257 42.059 0.041 0.000 0.897 612 L HN 0.809 nan 8.230 nan 0.000 0.436 613 E N -0.074 120.146 120.200 0.033 0.000 2.028 613 E HA -0.188 4.161 4.350 -0.001 0.000 0.190 613 E C 1.692 178.310 176.600 0.030 0.000 0.984 613 E CA 1.249 57.668 56.400 0.031 0.000 0.800 613 E CB -0.231 29.483 29.700 0.024 0.000 0.758 613 E HN 0.509 nan 8.360 nan 0.000 0.448 614 D N 1.228 121.643 120.400 0.024 0.000 2.149 614 D HA -0.139 4.501 4.640 -0.001 0.000 0.198 614 D C 2.194 178.506 176.300 0.019 0.000 0.990 614 D CA 0.899 54.909 54.000 0.017 0.000 0.839 614 D CB -0.389 40.417 40.800 0.010 0.000 0.948 614 D HN 0.052 nan 8.370 nan 0.000 0.460 615 V N 1.120 121.053 119.914 0.031 0.000 2.343 615 V HA -0.237 3.883 4.120 -0.001 0.000 0.247 615 V C 2.620 178.751 176.094 0.061 0.000 1.051 615 V CA 1.707 64.032 62.300 0.042 0.000 1.036 615 V CB -0.497 31.364 31.823 0.064 0.000 0.654 615 V HN 0.148 nan 8.190 nan 0.000 0.451 616 R N 0.442 120.981 120.500 0.065 0.000 2.057 616 R HA -0.145 4.195 4.340 -0.001 0.000 0.229 616 R C 2.392 178.729 176.300 0.062 0.000 1.136 616 R CA 1.571 57.718 56.100 0.079 0.000 0.952 616 R CB -0.218 30.122 30.300 0.067 0.000 0.848 616 R HN 0.428 nan 8.270 nan 0.000 0.430 617 K N 0.655 121.079 120.400 0.040 0.000 2.218 617 K HA -0.174 4.145 4.320 -0.001 0.000 0.205 617 K C 1.988 178.597 176.600 0.015 0.000 1.046 617 K CA 1.979 58.282 56.287 0.027 0.000 0.933 617 K CB -0.196 32.315 32.500 0.018 0.000 0.728 617 K HN 0.454 nan 8.250 nan 0.000 0.454 618 M N -2.020 117.585 119.600 0.007 0.000 2.561 618 M HA 0.232 4.711 4.480 -0.001 0.000 0.238 618 M C 0.682 176.966 176.300 -0.027 0.000 1.131 618 M CA 1.058 56.346 55.300 -0.020 0.000 1.046 618 M CB 0.543 33.117 32.600 -0.045 0.000 1.532 618 M HN 0.131 nan 8.290 nan 0.000 0.497 619 G N 0.805 109.615 108.800 0.017 0.000 2.132 619 G HA2 -0.097 3.863 3.960 -0.001 0.000 0.228 619 G HA3 -0.097 3.863 3.960 -0.001 0.000 0.228 619 G C -0.027 174.907 174.900 0.057 0.000 1.000 619 G CA 0.061 45.179 45.100 0.030 0.000 0.693 619 G HN 0.972 nan 8.290 nan 0.000 0.515 620 A N -0.535 122.360 122.820 0.126 0.000 2.312 620 A HA 1.020 5.340 4.320 -0.001 0.000 0.310 620 A C 0.109 177.911 177.584 0.364 0.000 1.139 620 A CA 0.237 52.426 52.037 0.254 0.000 0.886 620 A CB 1.245 20.313 19.000 0.113 0.000 1.350 620 A HN 1.273 nan 8.150 nan 0.000 0.479 621 E N -0.607 119.860 120.200 0.444 0.000 2.458 621 E HA 0.651 5.001 4.350 -0.001 0.000 0.278 621 E C -1.813 174.968 176.600 0.302 0.000 1.004 621 E CA -0.872 55.703 56.400 0.292 0.000 0.823 621 E CB 1.251 31.059 29.700 0.180 0.000 1.396 621 E HN 0.421 nan 8.360 nan 0.000 0.463 622 L N 1.379 122.727 121.223 0.209 0.000 2.313 622 L HA 0.604 4.943 4.340 -0.001 0.000 0.283 622 L C -0.067 176.912 176.870 0.182 0.000 1.013 622 L CA -0.776 54.205 54.840 0.235 0.000 0.816 622 L CB 1.446 43.607 42.059 0.170 0.000 1.236 622 L HN 0.492 nan 8.230 nan 0.000 0.419 623 R N 2.856 123.514 120.500 0.264 0.000 2.873 623 R HA 0.617 4.957 4.340 -0.001 0.000 0.264 623 R C -2.620 173.801 176.300 0.201 0.000 1.026 623 R CA -1.881 54.304 56.100 0.141 0.000 1.002 623 R CB 1.754 32.050 30.300 -0.007 0.000 1.174 623 R HN 0.293 nan 8.270 nan 0.000 0.488 624 P HA 0.158 nan 4.420 nan 0.000 0.281 624 P C -1.278 176.109 177.300 0.144 0.000 1.249 624 P CA -0.264 62.902 63.100 0.111 0.000 0.810 624 P CB 0.837 32.567 31.700 0.049 0.000 1.008 625 H N 0.932 119.979 119.070 -0.038 0.000 2.797 625 H HA 0.214 4.769 4.556 -0.002 0.000 0.372 625 H C 0.512 175.789 175.328 -0.085 0.000 1.168 625 H CA -0.448 55.523 56.048 -0.129 0.000 1.163 625 H CB 1.825 31.244 29.762 -0.571 0.000 1.778 625 H HN 0.314 nan 8.280 nan 0.000 0.551 626 E N 0.406 120.128 120.200 -0.797 0.000 2.219 626 E HA -0.195 4.154 4.350 -0.001 0.000 0.198 626 E C 0.733 177.213 176.600 -0.201 0.000 0.998 626 E CA 1.716 57.848 56.400 -0.447 0.000 0.818 626 E CB 0.096 29.514 29.700 -0.469 0.000 0.741 626 E HN 0.535 nan 8.360 nan 0.000 0.477 627 D N -1.004 119.368 120.400 -0.047 0.000 2.319 627 D HA 0.061 4.700 4.640 -0.001 0.000 0.230 627 D C 1.020 177.375 176.300 0.093 0.000 1.094 627 D CA 0.544 54.615 54.000 0.119 0.000 0.856 627 D CB -0.284 40.680 40.800 0.274 0.000 0.915 627 D HN 0.148 nan 8.370 nan 0.000 0.517 628 G N 0.360 109.187 108.800 0.046 0.000 2.203 628 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.263 628 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.263 628 G C 0.367 175.315 174.900 0.081 0.000 1.012 628 G CA 0.896 46.026 45.100 0.050 0.000 0.749 628 G HN 0.813 nan 8.290 nan 0.000 0.512 629 T N -2.661 111.961 114.554 0.114 0.000 2.888 629 T HA 0.755 5.104 4.350 -0.001 0.000 0.288 629 T C -0.050 174.757 174.700 0.178 0.000 1.063 629 T CA -1.113 61.075 62.100 0.147 0.000 1.010 629 T CB 2.265 71.249 68.868 0.193 0.000 1.214 629 T HN 0.442 nan 8.240 nan 0.000 0.533 630 L N 1.474 122.825 121.223 0.213 0.000 2.292 630 L HA 0.454 4.793 4.340 -0.001 0.000 0.284 630 L C 0.319 177.427 176.870 0.395 0.000 1.065 630 L CA -0.704 54.285 54.840 0.248 0.000 0.806 630 L CB 0.604 42.771 42.059 0.180 0.000 1.175 630 L HN 0.675 nan 8.230 nan 0.000 0.431 631 H N 3.099 122.296 119.070 0.212 0.000 2.616 631 H HA 0.443 4.997 4.556 -0.004 0.000 0.353 631 H C -0.879 174.624 175.328 0.292 0.000 1.170 631 H CA -1.001 55.148 56.048 0.168 0.000 1.212 631 H CB 2.955 32.765 29.762 0.080 0.000 1.653 631 H HN 0.381 nan 8.280 nan 0.000 0.537 632 L N 2.494 123.877 121.223 0.267 0.000 2.282 632 L HA 0.273 4.613 4.340 -0.001 0.000 0.288 632 L C -1.493 175.614 176.870 0.396 0.000 1.033 632 L CA -0.430 54.601 54.840 0.317 0.000 0.807 632 L CB 0.546 42.705 42.059 0.167 0.000 1.209 632 L HN 0.509 nan 8.230 nan 0.000 0.423 633 W N 5.442 126.954 121.300 0.354 0.000 2.706 633 W HA 0.690 5.365 4.660 0.024 0.000 0.346 633 W C -0.611 176.203 176.519 0.493 0.000 1.071 633 W CA -0.596 57.056 57.345 0.511 0.000 1.206 633 W CB 1.505 31.299 29.460 0.558 0.000 1.413 633 W HN 0.282 nan 8.180 nan 0.000 0.542 634 K N 2.599 123.366 120.400 0.613 0.000 2.592 634 K HA 0.238 4.558 4.320 -0.001 0.000 0.259 634 K C -2.965 173.554 176.600 -0.134 0.000 0.937 634 K CA -1.402 54.863 56.287 -0.037 0.000 0.874 634 K CB 1.839 34.231 32.500 -0.181 0.000 1.339 634 K HN 0.025 nan 8.250 nan 0.000 0.425 635 P HA 0.114 nan 4.420 nan 0.000 0.271 635 P C -1.309 175.948 177.300 -0.071 0.000 1.233 635 P CA 0.036 62.878 63.100 -0.429 0.000 0.795 635 P CB 0.567 31.906 31.700 -0.601 0.000 0.936 636 A N -0.393 122.423 122.820 -0.007 0.000 2.567 636 A HA 0.419 4.738 4.320 -0.001 0.000 0.291 636 A C -1.173 176.424 177.584 0.021 0.000 1.048 636 A CA -0.632 51.438 52.037 0.055 0.000 0.661 636 A CB 0.324 19.415 19.000 0.152 0.000 1.288 636 A HN 0.230 nan 8.150 nan 0.000 0.424 637 V N 1.767 121.695 119.914 0.022 0.000 2.599 637 V HA 0.132 4.252 4.120 -0.001 0.000 0.300 637 V C 1.012 177.093 176.094 -0.022 0.000 1.034 637 V CA 0.581 62.885 62.300 0.007 0.000 1.115 637 V CB 0.632 32.468 31.823 0.023 0.000 0.934 637 V HN 0.883 nan 8.190 nan 0.000 0.485 638 M N 6.507 126.062 119.600 -0.075 0.000 2.266 638 M HA 0.343 4.823 4.480 -0.001 0.000 0.340 638 M C 0.042 176.223 176.300 -0.198 0.000 1.486 638 M CA 0.373 55.558 55.300 -0.192 0.000 1.209 638 M CB -0.050 32.340 32.600 -0.350 0.000 1.714 638 M HN 0.927 nan 8.290 nan 0.000 0.459 639 S N 3.174 118.832 115.700 -0.070 0.000 2.556 639 S HA 0.319 4.788 4.470 -0.001 0.000 0.271 639 S C 0.240 174.901 174.600 0.102 0.000 1.135 639 S CA -1.066 57.192 58.200 0.096 0.000 0.858 639 S CB 1.863 65.119 63.200 0.094 0.000 1.114 639 S HN 0.877 nan 8.310 nan 0.000 0.468 640 K N 1.357 121.859 120.400 0.170 0.000 2.020 640 K HA -0.175 4.144 4.320 -0.001 0.000 0.212 640 K C 2.226 178.867 176.600 0.069 0.000 1.050 640 K CA 2.229 58.586 56.287 0.117 0.000 0.929 640 K CB -0.735 31.827 32.500 0.103 0.000 0.714 640 K HN 0.665 nan 8.250 nan 0.000 0.443 641 S N 0.426 116.164 115.700 0.064 0.000 2.389 641 S HA -0.187 4.282 4.470 -0.001 0.000 0.231 641 S C 1.779 176.385 174.600 0.010 0.000 1.052 641 S CA 1.585 59.809 58.200 0.039 0.000 1.053 641 S CB -0.231 62.992 63.200 0.039 0.000 0.886 641 S HN 0.284 nan 8.310 nan 0.000 0.456 642 K N 0.435 120.834 120.400 -0.001 0.000 2.366 642 K HA 0.125 4.444 4.320 -0.001 0.000 0.198 642 K C 1.319 177.883 176.600 -0.060 0.000 1.044 642 K CA 0.703 56.959 56.287 -0.051 0.000 0.973 642 K CB -0.912 31.556 32.500 -0.054 0.000 0.767 642 K HN 0.613 nan 8.250 nan 0.000 0.475 643 G N 3.578 112.370 108.800 -0.014 0.000 2.359 643 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.298 643 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.298 643 G C -0.116 174.778 174.900 -0.010 0.000 1.030 643 G CA 0.711 45.810 45.100 -0.002 0.000 1.149 643 G HN 0.481 nan 8.290 nan 0.000 0.512 644 N N -1.152 117.541 118.700 -0.011 0.000 2.286 644 N HA 0.343 5.083 4.740 -0.001 0.000 0.245 644 N C 0.829 176.310 175.510 -0.049 0.000 1.363 644 N CA 0.315 53.367 53.050 0.002 0.000 0.822 644 N CB 0.013 38.501 38.487 0.001 0.000 1.345 644 N HN 0.717 nan 8.380 nan 0.000 0.494 645 G N -0.247 108.520 108.800 -0.056 0.000 2.606 645 G HA2 0.475 4.435 3.960 -0.001 0.000 0.252 645 G HA3 0.475 4.435 3.960 -0.001 0.000 0.252 645 G C -0.860 173.969 174.900 -0.117 0.000 1.206 645 G CA -0.363 44.647 45.100 -0.150 0.000 0.861 645 G HN 0.090 nan 8.290 nan 0.000 0.561 646 V N 2.427 122.205 119.914 -0.226 0.000 2.340 646 V HA 0.168 4.288 4.120 -0.001 0.000 0.277 646 V C -0.076 175.926 176.094 -0.153 0.000 1.017 646 V CA -0.685 61.480 62.300 -0.224 0.000 0.820 646 V CB 1.029 32.507 31.823 -0.575 0.000 1.028 646 V HN 0.685 nan 8.190 nan 0.000 0.436 647 M N 3.889 123.492 119.600 0.004 0.000 2.260 647 M HA 0.058 4.537 4.480 -0.001 0.000 0.348 647 M C 1.236 177.576 176.300 0.067 0.000 1.342 647 M CA 0.692 56.021 55.300 0.049 0.000 1.040 647 M CB 0.892 33.534 32.600 0.070 0.000 1.810 647 M HN 0.429 nan 8.290 nan 0.000 0.453 648 V N 4.082 124.027 119.914 0.051 0.000 2.219 648 V HA -0.258 3.861 4.120 -0.001 0.000 0.248 648 V C 2.013 178.205 176.094 0.164 0.000 1.053 648 V CA 2.491 64.842 62.300 0.086 0.000 1.009 648 V CB -1.767 30.098 31.823 0.070 0.000 0.636 648 V HN 1.102 nan 8.190 nan 0.000 0.445 649 G N 0.663 109.531 108.800 0.114 0.000 2.480 649 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.216 649 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.216 649 G C -0.197 174.777 174.900 0.124 0.000 1.200 649 G CA 1.207 46.371 45.100 0.107 0.000 0.782 649 G HN 0.513 nan 8.290 nan 0.000 0.554 650 P HA -0.122 nan 4.420 nan 0.000 0.219 650 P C 1.167 178.558 177.300 0.153 0.000 1.144 650 P CA 0.714 63.884 63.100 0.116 0.000 0.806 650 P CB -0.046 31.721 31.700 0.111 0.000 0.771 651 F N 0.164 120.155 119.950 0.067 0.000 2.148 651 F HA -0.102 4.424 4.527 -0.003 0.000 0.285 651 F C 2.053 177.920 175.800 0.110 0.000 1.092 651 F CA 0.806 58.863 58.000 0.096 0.000 1.218 651 F CB -0.885 38.159 39.000 0.072 0.000 1.059 651 F HN -0.296 nan 8.300 nan 0.000 0.490 652 V N -0.297 119.749 119.914 0.219 0.000 2.439 652 V HA -0.314 3.806 4.120 -0.001 0.000 0.253 652 V C 2.213 178.299 176.094 -0.013 0.000 1.074 652 V CA 1.881 64.235 62.300 0.090 0.000 1.076 652 V CB -1.234 30.674 31.823 0.141 0.000 0.664 652 V HN 0.244 nan 8.190 nan 0.000 0.461 653 K N 0.790 121.215 120.400 0.041 0.000 2.002 653 K HA -0.155 4.165 4.320 -0.001 0.000 0.209 653 K C 2.183 178.877 176.600 0.156 0.000 1.048 653 K CA 2.033 58.382 56.287 0.103 0.000 0.930 653 K CB -0.451 32.097 32.500 0.080 0.000 0.714 653 K HN 0.597 nan 8.250 nan 0.000 0.438 654 E N 0.270 120.492 120.200 0.037 0.000 2.285 654 E HA -0.090 4.260 4.350 -0.001 0.000 0.194 654 E C 1.209 177.839 176.600 0.050 0.000 0.997 654 E CA 0.954 57.382 56.400 0.047 0.000 0.845 654 E CB 0.394 30.082 29.700 -0.021 0.000 0.782 654 E HN 0.199 nan 8.360 nan 0.000 0.491 655 Q N -1.580 118.113 119.800 -0.179 0.000 2.784 655 Q HA 0.526 4.866 4.340 -0.001 0.000 0.207 655 Q C 0.405 176.256 176.000 -0.249 0.000 1.021 655 Q CA 0.390 56.084 55.803 -0.181 0.000 0.417 655 Q CB 0.141 28.470 28.738 -0.683 0.000 4.567 655 Q HN 0.103 nan 8.270 nan 0.000 0.306 656 G N -0.982 107.672 108.800 -0.243 0.000 2.506 656 G HA2 0.509 4.468 3.960 -0.001 0.000 0.292 656 G HA3 0.509 4.468 3.960 -0.001 0.000 0.292 656 G C -0.384 174.574 174.900 0.097 0.000 1.425 656 G CA -0.021 44.986 45.100 -0.155 0.000 0.788 656 G HN 0.360 nan 8.290 nan 0.000 0.490 657 A N -0.016 122.887 122.820 0.138 0.000 1.838 657 A HA 0.172 4.491 4.320 -0.001 0.000 0.215 657 A C 1.899 179.641 177.584 0.263 0.000 1.273 657 A CA 2.152 54.349 52.037 0.266 0.000 0.602 657 A CB -0.790 18.432 19.000 0.369 0.000 0.934 657 A HN 0.570 nan 8.150 nan 0.000 0.461 658 D N 0.243 120.823 120.400 0.300 0.000 2.248 658 D HA -0.228 4.411 4.640 -0.001 0.000 0.191 658 D C 1.776 178.146 176.300 0.117 0.000 1.013 658 D CA 1.705 55.821 54.000 0.194 0.000 0.883 658 D CB -0.499 40.425 40.800 0.206 0.000 0.915 658 D HN 0.516 nan 8.370 nan 0.000 0.448 659 I N 0.925 121.535 120.570 0.067 0.000 2.163 659 I HA -0.284 3.886 4.170 -0.001 0.000 0.243 659 I C 2.548 178.768 176.117 0.172 0.000 1.085 659 I CA 1.211 62.515 61.300 0.007 0.000 1.347 659 I CB -0.204 37.689 38.000 -0.178 0.000 1.044 659 I HN -0.039 nan 8.210 nan 0.000 0.408 660 A N 0.634 123.663 122.820 0.348 0.000 1.898 660 A HA -0.194 4.126 4.320 -0.001 0.000 0.216 660 A C 2.342 180.094 177.584 0.280 0.000 1.181 660 A CA 1.367 53.661 52.037 0.429 0.000 0.620 660 A CB -0.506 18.745 19.000 0.417 0.000 0.819 660 A HN 0.283 nan 8.150 nan 0.000 0.442 661 R N -0.413 120.206 120.500 0.198 0.000 2.088 661 R HA -0.125 4.214 4.340 -0.001 0.000 0.232 661 R C 2.035 178.403 176.300 0.112 0.000 1.136 661 R CA 1.757 57.934 56.100 0.129 0.000 0.926 661 R CB -0.541 29.804 30.300 0.075 0.000 0.837 661 R HN 0.429 nan 8.270 nan 0.000 0.429 662 I N 0.871 121.505 120.570 0.107 0.000 2.087 662 I HA -0.320 3.849 4.170 -0.001 0.000 0.240 662 I C 2.139 178.294 176.117 0.063 0.000 1.054 662 I CA 1.889 63.248 61.300 0.098 0.000 1.311 662 I CB -1.532 36.524 38.000 0.093 0.000 1.024 662 I HN 0.275 nan 8.210 nan 0.000 0.402 663 T N 0.854 115.395 114.554 -0.022 0.000 2.896 663 T HA -0.171 4.179 4.350 -0.001 0.000 0.270 663 T C 1.935 176.524 174.700 -0.185 0.000 1.104 663 T CA 1.156 63.132 62.100 -0.206 0.000 1.115 663 T CB -0.187 68.311 68.868 -0.616 0.000 0.843 663 T HN 0.296 nan 8.240 nan 0.000 0.523 664 I N -0.540 120.041 120.570 0.019 0.000 2.927 664 I HA 0.177 4.347 4.170 -0.001 0.000 0.268 664 I C 1.327 177.511 176.117 0.113 0.000 1.153 664 I CA 0.511 61.888 61.300 0.128 0.000 1.459 664 I CB 0.332 38.500 38.000 0.280 0.000 1.149 664 I HN 0.134 nan 8.210 nan 0.000 0.443 665 L N -0.267 121.026 121.223 0.116 0.000 2.627 665 L HA 0.004 4.343 4.340 -0.001 0.000 0.233 665 L C 1.104 178.096 176.870 0.204 0.000 1.144 665 L CA 0.467 55.389 54.840 0.137 0.000 0.892 665 L CB 0.011 42.129 42.059 0.099 0.000 1.039 665 L HN 0.275 nan 8.230 nan 0.000 0.442 666 F N -1.093 118.856 119.950 -0.002 0.000 2.856 666 F HA 0.348 4.874 4.527 -0.002 0.000 0.338 666 F C 1.976 177.754 175.800 -0.036 0.000 1.100 666 F CA 0.254 58.235 58.000 -0.032 0.000 1.150 666 F CB 0.266 39.221 39.000 -0.075 0.000 1.101 666 F HN -0.070 nan 8.300 nan 0.000 0.548 667 A N 1.360 124.197 122.820 0.028 0.000 1.883 667 A HA 0.338 4.658 4.320 -0.001 0.000 0.217 667 A C 1.317 178.832 177.584 -0.114 0.000 1.186 667 A CA 1.819 53.840 52.037 -0.027 0.000 0.624 667 A CB -0.814 18.186 19.000 -0.000 0.000 0.822 667 A HN 0.581 nan 8.150 nan 0.000 0.444 668 A N -2.805 119.950 122.820 -0.109 0.000 2.588 668 A HA 0.629 4.949 4.320 -0.001 0.000 0.309 668 A C -3.161 174.374 177.584 -0.081 0.000 1.173 668 A CA -0.982 50.987 52.037 -0.113 0.000 0.631 668 A CB -0.201 18.772 19.000 -0.045 0.000 1.364 668 A HN 0.010 nan 8.150 nan 0.000 0.526 669 P HA 0.276 nan 4.420 nan 0.000 0.280 669 P C -1.897 175.431 177.300 0.046 0.000 1.244 669 P CA -1.217 61.874 63.100 -0.015 0.000 0.784 669 P CB 0.656 32.346 31.700 -0.015 0.000 0.913 670 P HA -0.320 nan 4.420 nan 0.000 0.218 670 P C 1.257 178.701 177.300 0.241 0.000 1.165 670 P CA 2.059 65.210 63.100 0.086 0.000 0.922 670 P CB -0.135 31.494 31.700 -0.117 0.000 0.794 671 E N 0.101 120.558 120.200 0.428 0.000 2.204 671 E HA -0.139 4.210 4.350 -0.001 0.000 0.195 671 E C 0.601 177.277 176.600 0.126 0.000 0.990 671 E CA 0.779 57.354 56.400 0.291 0.000 0.821 671 E CB -1.414 28.324 29.700 0.063 0.000 0.750 671 E HN 0.308 nan 8.360 nan 0.000 0.477 672 N N 1.841 120.594 118.700 0.087 0.000 2.294 672 N HA 0.053 4.793 4.740 -0.001 0.000 0.248 672 N C -0.044 175.499 175.510 0.055 0.000 1.300 672 N CA -0.068 53.010 53.050 0.047 0.000 0.925 672 N CB 0.337 38.837 38.487 0.023 0.000 1.188 672 N HN 0.289 nan 8.380 nan 0.000 0.512 673 E N -0.047 120.176 120.200 0.039 0.000 2.175 673 E HA 0.384 4.733 4.350 -0.001 0.000 0.278 673 E C -0.614 176.012 176.600 0.042 0.000 0.969 673 E CA -0.713 55.714 56.400 0.044 0.000 0.796 673 E CB 0.989 30.709 29.700 0.034 0.000 1.104 673 E HN 0.558 nan 8.360 nan 0.000 0.395 674 M N 1.008 120.644 119.600 0.060 0.000 2.527 674 M HA 0.611 5.091 4.480 -0.001 0.000 0.283 674 M C -0.849 175.501 176.300 0.085 0.000 1.188 674 M CA -1.104 54.235 55.300 0.065 0.000 0.941 674 M CB 1.479 34.127 32.600 0.080 0.000 1.498 674 M HN 0.266 nan 8.290 nan 0.000 0.510 675 V N 1.573 121.549 119.914 0.103 0.000 2.439 675 V HA 0.190 4.309 4.120 -0.001 0.000 0.277 675 V C -1.088 175.130 176.094 0.206 0.000 1.008 675 V CA -0.464 61.923 62.300 0.145 0.000 0.846 675 V CB 1.072 32.969 31.823 0.123 0.000 1.031 675 V HN 0.855 nan 8.190 nan 0.000 0.441 676 W N 5.684 127.032 121.300 0.080 0.000 2.385 676 W HA 0.285 4.947 4.660 0.003 0.000 0.336 676 W C 0.138 176.751 176.519 0.157 0.000 1.351 676 W CA 1.105 58.498 57.345 0.080 0.000 1.295 676 W CB 0.839 30.308 29.460 0.014 0.000 1.239 676 W HN 0.670 nan 8.180 nan 0.000 0.565 677 T N 1.502 115.998 114.554 -0.096 0.000 2.864 677 T HA 0.170 4.519 4.350 -0.001 0.000 0.299 677 T C 0.608 175.318 174.700 0.017 0.000 1.166 677 T CA -0.740 61.418 62.100 0.098 0.000 1.007 677 T CB 2.271 71.215 68.868 0.128 0.000 1.219 677 T HN 0.564 nan 8.240 nan 0.000 0.506 678 E N 0.444 120.700 120.200 0.094 0.000 2.023 678 E HA -0.220 4.129 4.350 -0.001 0.000 0.196 678 E C 1.567 178.208 176.600 0.068 0.000 1.003 678 E CA 1.907 58.371 56.400 0.106 0.000 0.809 678 E CB -0.108 29.626 29.700 0.057 0.000 0.755 678 E HN 0.780 nan 8.360 nan 0.000 0.449 679 E N -0.256 119.960 120.200 0.026 0.000 2.130 679 E HA -0.181 4.168 4.350 -0.001 0.000 0.196 679 E C 1.862 178.479 176.600 0.028 0.000 0.998 679 E CA 1.194 57.611 56.400 0.029 0.000 0.806 679 E CB -0.587 29.120 29.700 0.011 0.000 0.738 679 E HN 0.450 nan 8.360 nan 0.000 0.459 680 G N 0.528 109.312 108.800 -0.026 0.000 2.446 680 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.217 680 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.217 680 G C 1.728 176.578 174.900 -0.084 0.000 1.168 680 G CA 1.230 46.276 45.100 -0.089 0.000 0.771 680 G HN 0.232 nan 8.290 nan 0.000 0.551 681 V N 0.374 120.246 119.914 -0.071 0.000 2.307 681 V HA -0.241 3.878 4.120 -0.001 0.000 0.245 681 V C 2.795 179.030 176.094 0.234 0.000 1.045 681 V CA 2.213 64.565 62.300 0.087 0.000 1.024 681 V CB -0.934 31.061 31.823 0.288 0.000 0.651 681 V HN 0.377 nan 8.190 nan 0.000 0.449 682 Q N 0.463 120.411 119.800 0.248 0.000 2.112 682 Q HA -0.179 4.160 4.340 -0.001 0.000 0.206 682 Q C 2.416 178.567 176.000 0.251 0.000 0.987 682 Q CA 1.952 57.927 55.803 0.287 0.000 0.858 682 Q CB -0.658 28.175 28.738 0.158 0.000 0.905 682 Q HN 0.738 nan 8.270 nan 0.000 0.420 683 G N 0.403 109.293 108.800 0.150 0.000 2.418 683 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.217 683 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.217 683 G C 1.458 176.437 174.900 0.131 0.000 1.158 683 G CA 0.865 46.034 45.100 0.115 0.000 0.771 683 G HN 0.445 nan 8.290 nan 0.000 0.545 684 A N -0.198 122.684 122.820 0.103 0.000 1.972 684 A HA -0.017 4.303 4.320 -0.001 0.000 0.219 684 A C 2.135 179.788 177.584 0.115 0.000 1.169 684 A CA 1.324 53.411 52.037 0.084 0.000 0.635 684 A CB -0.630 18.377 19.000 0.012 0.000 0.810 684 A HN 0.541 nan 8.150 nan 0.000 0.446 685 W N 0.069 121.431 121.300 0.103 0.000 2.329 685 W HA -0.203 4.455 4.660 -0.003 0.000 0.324 685 W C 2.744 179.307 176.519 0.073 0.000 1.222 685 W CA 1.804 59.214 57.345 0.108 0.000 1.270 685 W CB -0.180 29.348 29.460 0.113 0.000 1.167 685 W HN 0.245 nan 8.180 nan 0.000 0.467 686 R N -0.967 119.758 120.500 0.375 0.000 2.103 686 R HA -0.244 4.096 4.340 -0.001 0.000 0.242 686 R C 2.132 178.559 176.300 0.212 0.000 1.142 686 R CA 1.888 58.134 56.100 0.244 0.000 0.960 686 R CB -1.296 29.114 30.300 0.184 0.000 0.858 686 R HN 0.203 nan 8.270 nan 0.000 0.439 687 F N 1.716 121.694 119.950 0.045 0.000 2.075 687 F HA -0.135 4.391 4.527 -0.002 0.000 0.297 687 F C 1.941 177.738 175.800 -0.005 0.000 1.113 687 F CA 1.351 59.346 58.000 -0.007 0.000 1.218 687 F CB -0.549 38.384 39.000 -0.112 0.000 0.984 687 F HN -0.115 nan 8.300 nan 0.000 0.472 688 L N 0.158 121.177 121.223 -0.339 0.000 2.083 688 L HA -0.265 4.074 4.340 -0.001 0.000 0.209 688 L C 2.414 179.047 176.870 -0.395 0.000 1.083 688 L CA 1.170 55.679 54.840 -0.552 0.000 0.752 688 L CB -0.925 40.777 42.059 -0.595 0.000 0.899 688 L HN 0.176 nan 8.230 nan 0.000 0.433 689 N N 0.665 119.324 118.700 -0.069 0.000 2.004 689 N HA -0.198 4.542 4.740 -0.001 0.000 0.196 689 N C 1.830 177.420 175.510 0.134 0.000 1.064 689 N CA 1.570 54.702 53.050 0.135 0.000 0.855 689 N CB -0.459 38.179 38.487 0.252 0.000 1.056 689 N HN 0.249 nan 8.380 nan 0.000 0.423 690 R N 0.733 121.318 120.500 0.142 0.000 2.153 690 R HA -0.135 4.205 4.340 -0.001 0.000 0.252 690 R C 2.341 178.703 176.300 0.104 0.000 1.158 690 R CA 1.302 57.539 56.100 0.228 0.000 0.975 690 R CB -0.699 29.789 30.300 0.313 0.000 0.871 690 R HN 0.364 nan 8.270 nan 0.000 0.450 691 I N -0.735 119.768 120.570 -0.112 0.000 2.208 691 I HA -0.319 3.850 4.170 -0.001 0.000 0.245 691 I C 2.338 178.400 176.117 -0.091 0.000 1.097 691 I CA 1.493 62.655 61.300 -0.230 0.000 1.363 691 I CB -0.463 37.303 38.000 -0.391 0.000 1.051 691 I HN 0.118 nan 8.210 nan 0.000 0.413 692 Y N 1.704 121.940 120.300 -0.107 0.000 2.109 692 Y HA -0.269 4.281 4.550 -0.000 0.000 0.285 692 Y C 2.952 178.943 175.900 0.152 0.000 1.131 692 Y CA 1.787 59.909 58.100 0.038 0.000 1.121 692 Y CB -0.209 38.331 38.460 0.134 0.000 0.987 692 Y HN -0.078 nan 8.280 nan 0.000 0.495 693 R N 0.196 120.870 120.500 0.291 0.000 2.122 693 R HA -0.329 4.010 4.340 -0.001 0.000 0.236 693 R C 2.416 178.809 176.300 0.154 0.000 1.129 693 R CA 2.281 58.528 56.100 0.246 0.000 0.925 693 R CB -0.450 30.023 30.300 0.288 0.000 0.850 693 R HN 0.228 nan 8.270 nan 0.000 0.431 694 R N 0.145 120.720 120.500 0.124 0.000 2.133 694 R HA -0.162 4.177 4.340 -0.001 0.000 0.245 694 R C 2.078 178.384 176.300 0.010 0.000 1.137 694 R CA 2.404 58.490 56.100 -0.023 0.000 0.947 694 R CB -0.945 29.113 30.300 -0.403 0.000 0.865 694 R HN 0.267 nan 8.270 nan 0.000 0.437 695 V N 0.429 120.327 119.914 -0.026 0.000 2.548 695 V HA -0.078 4.041 4.120 -0.001 0.000 0.249 695 V C 2.301 178.569 176.094 0.291 0.000 1.055 695 V CA 1.497 63.843 62.300 0.076 0.000 1.065 695 V CB -0.747 31.070 31.823 -0.010 0.000 0.681 695 V HN 0.553 nan 8.190 nan 0.000 0.462 696 A N 0.523 123.465 122.820 0.204 0.000 1.835 696 A HA -0.286 4.034 4.320 -0.001 0.000 0.215 696 A C 2.255 179.936 177.584 0.160 0.000 1.199 696 A CA 1.945 54.136 52.037 0.257 0.000 0.615 696 A CB -0.675 18.346 19.000 0.034 0.000 0.838 696 A HN 0.609 nan 8.150 nan 0.000 0.444 697 E N -0.363 119.914 120.200 0.128 0.000 2.273 697 E HA -0.222 4.127 4.350 -0.001 0.000 0.198 697 E C 0.041 176.699 176.600 0.097 0.000 1.002 697 E CA 1.501 57.962 56.400 0.102 0.000 0.828 697 E CB -0.102 29.664 29.700 0.110 0.000 0.747 697 E HN 0.567 nan 8.360 nan 0.000 0.491 698 D N -0.478 120.006 120.400 0.141 0.000 2.501 698 D HA 0.037 4.677 4.640 -0.001 0.000 0.224 698 D C 1.138 177.559 176.300 0.201 0.000 1.202 698 D CA -0.182 53.899 54.000 0.134 0.000 0.829 698 D CB 0.112 41.003 40.800 0.152 0.000 1.023 698 D HN 0.175 nan 8.370 nan 0.000 0.499 699 R N 1.374 122.020 120.500 0.244 0.000 2.073 699 R HA -0.138 4.202 4.340 -0.001 0.000 0.234 699 R C 1.820 178.254 176.300 0.223 0.000 1.134 699 R CA 1.256 57.569 56.100 0.356 0.000 0.952 699 R CB 0.189 30.565 30.300 0.127 0.000 0.850 699 R HN 0.092 nan 8.270 nan 0.000 0.433 700 E N -0.245 120.004 120.200 0.081 0.000 2.028 700 E HA -0.187 4.163 4.350 -0.001 0.000 0.191 700 E C 1.877 178.513 176.600 0.060 0.000 0.988 700 E CA 1.135 57.555 56.400 0.033 0.000 0.799 700 E CB -0.127 29.571 29.700 -0.004 0.000 0.755 700 E HN 0.471 nan 8.360 nan 0.000 0.447 701 A N 1.419 124.276 122.820 0.060 0.000 1.873 701 A HA -0.220 4.099 4.320 -0.001 0.000 0.218 701 A C 2.272 179.900 177.584 0.074 0.000 1.193 701 A CA 1.523 53.590 52.037 0.049 0.000 0.629 701 A CB -0.987 18.031 19.000 0.030 0.000 0.826 701 A HN 0.307 nan 8.150 nan 0.000 0.447 702 L N -1.004 120.288 121.223 0.116 0.000 2.021 702 L HA -0.262 4.078 4.340 -0.001 0.000 0.215 702 L C 2.620 179.546 176.870 0.095 0.000 1.074 702 L CA 1.527 56.415 54.840 0.080 0.000 0.760 702 L CB -0.573 41.476 42.059 -0.016 0.000 0.889 702 L HN 0.391 nan 8.230 nan 0.000 0.433 703 L N -0.316 121.013 121.223 0.176 0.000 2.127 703 L HA -0.207 4.133 4.340 -0.001 0.000 0.211 703 L C 2.289 179.178 176.870 0.031 0.000 1.089 703 L CA 1.381 56.282 54.840 0.102 0.000 0.757 703 L CB -0.388 41.700 42.059 0.048 0.000 0.899 703 L HN 0.418 nan 8.230 nan 0.000 0.434 704 E N -1.817 118.402 120.200 0.032 0.000 2.444 704 E HA 0.101 4.451 4.350 -0.001 0.000 0.191 704 E C -0.157 176.458 176.600 0.025 0.000 1.041 704 E CA -0.027 56.384 56.400 0.018 0.000 0.883 704 E CB 0.060 29.767 29.700 0.011 0.000 1.024 704 E HN 0.196 nan 8.360 nan 0.000 0.470 705 T N 0.631 115.206 114.554 0.034 0.000 2.856 705 T HA 0.283 4.633 4.350 -0.001 0.000 0.283 705 T C -0.619 174.115 174.700 0.055 0.000 1.008 705 T CA -0.601 61.527 62.100 0.046 0.000 0.997 705 T CB 1.974 70.877 68.868 0.058 0.000 0.992 705 T HN -0.032 nan 8.240 nan 0.000 0.454 706 S N 0.657 116.401 115.700 0.073 0.000 2.541 706 S HA 0.544 5.014 4.470 -0.001 0.000 0.283 706 S C 1.220 175.908 174.600 0.148 0.000 1.196 706 S CA -0.596 57.661 58.200 0.095 0.000 1.062 706 S CB 0.628 63.879 63.200 0.086 0.000 1.009 706 S HN 0.910 nan 8.310 nan 0.000 0.502 707 G N 2.835 111.739 108.800 0.174 0.000 3.383 707 G HA2 0.332 4.291 3.960 -0.001 0.000 0.251 707 G HA3 0.332 4.291 3.960 -0.001 0.000 0.251 707 G C -0.115 174.923 174.900 0.230 0.000 1.203 707 G CA -0.122 45.119 45.100 0.236 0.000 0.852 707 G HN 0.556 nan 8.290 nan 0.000 0.531 708 V N 0.775 120.799 119.914 0.183 0.000 2.713 708 V HA 0.871 4.991 4.120 -0.001 0.000 0.307 708 V C -0.145 176.067 176.094 0.197 0.000 1.052 708 V CA -0.461 61.861 62.300 0.036 0.000 0.967 708 V CB 0.777 32.614 31.823 0.024 0.000 1.019 708 V HN 0.446 nan 8.190 nan 0.000 0.459 709 F N 0.141 120.091 119.950 0.000 0.000 3.032 709 F HA 0.413 4.940 4.527 -0.001 0.000 0.331 709 F C -1.086 174.686 175.800 -0.046 0.000 1.125 709 F CA -1.151 56.835 58.000 -0.024 0.000 0.873 709 F CB 1.692 40.670 39.000 -0.038 0.000 1.374 709 F HN 0.459 nan 8.300 nan 0.000 0.452 710 Q N 1.680 121.621 119.800 0.236 0.000 2.340 710 Q HA 0.676 5.016 4.340 -0.001 0.000 0.259 710 Q C 0.454 176.546 176.000 0.154 0.000 0.964 710 Q CA -0.044 55.815 55.803 0.094 0.000 0.900 710 Q CB 2.006 30.774 28.738 0.050 0.000 1.228 710 Q HN 1.029 nan 8.270 nan 0.000 0.449 711 A N 4.490 127.331 122.820 0.035 0.000 1.865 711 A HA -0.238 4.081 4.320 -0.001 0.000 0.217 711 A C 1.523 179.029 177.584 -0.131 0.000 1.191 711 A CA 1.922 53.865 52.037 -0.156 0.000 0.623 711 A CB -0.462 18.348 19.000 -0.316 0.000 0.826 711 A HN 0.976 nan 8.150 nan 0.000 0.444 712 E N -0.327 119.836 120.200 -0.062 0.000 2.219 712 E HA -0.176 4.174 4.350 -0.001 0.000 0.198 712 E C 1.948 178.531 176.600 -0.027 0.000 0.998 712 E CA 0.978 57.357 56.400 -0.034 0.000 0.818 712 E CB -0.301 29.391 29.700 -0.013 0.000 0.741 712 E HN 0.639 nan 8.360 nan 0.000 0.477 713 A N 0.792 123.601 122.820 -0.019 0.000 2.206 713 A HA 0.046 4.365 4.320 -0.001 0.000 0.211 713 A C 0.951 178.515 177.584 -0.033 0.000 1.158 713 A CA 0.078 52.107 52.037 -0.013 0.000 0.761 713 A CB -0.196 18.807 19.000 0.006 0.000 0.801 713 A HN 0.058 nan 8.150 nan 0.000 0.473 714 L N 0.901 122.084 121.223 -0.067 0.000 2.426 714 L HA 0.313 4.653 4.340 -0.001 0.000 0.271 714 L C 0.317 177.162 176.870 -0.043 0.000 1.169 714 L CA -0.126 54.661 54.840 -0.088 0.000 0.836 714 L CB 0.557 42.516 42.059 -0.167 0.000 1.112 714 L HN 0.590 nan 8.230 nan 0.000 0.465 715 E N 1.449 121.632 120.200 -0.027 0.000 2.366 715 E HA 0.678 5.027 4.350 -0.001 0.000 0.278 715 E C -0.107 176.498 176.600 0.008 0.000 0.923 715 E CA -0.506 55.891 56.400 -0.005 0.000 0.761 715 E CB 1.977 31.673 29.700 -0.007 0.000 1.231 715 E HN 0.702 nan 8.360 nan 0.000 0.443 716 G N 2.377 111.188 108.800 0.018 0.000 2.553 716 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.242 716 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.242 716 G C 0.609 175.542 174.900 0.054 0.000 1.277 716 G CA 0.092 45.206 45.100 0.022 0.000 0.910 716 G HN 0.523 nan 8.290 nan 0.000 0.576 717 K N 0.508 120.943 120.400 0.059 0.000 2.074 717 K HA -0.128 4.191 4.320 -0.001 0.000 0.209 717 K C 2.001 178.751 176.600 0.251 0.000 1.048 717 K CA 2.236 58.603 56.287 0.133 0.000 0.926 717 K CB -0.624 31.911 32.500 0.059 0.000 0.713 717 K HN 0.543 nan 8.250 nan 0.000 0.444 718 D N 0.550 121.078 120.400 0.214 0.000 2.108 718 D HA -0.183 4.457 4.640 -0.001 0.000 0.190 718 D C 1.972 178.336 176.300 0.108 0.000 0.995 718 D CA 1.201 55.311 54.000 0.183 0.000 0.834 718 D CB -0.311 40.517 40.800 0.047 0.000 0.967 718 D HN 0.171 nan 8.370 nan 0.000 0.446 719 R N 0.666 121.207 120.500 0.068 0.000 2.117 719 R HA -0.190 4.149 4.340 -0.001 0.000 0.243 719 R C 2.084 178.473 176.300 0.149 0.000 1.143 719 R CA 1.547 57.697 56.100 0.082 0.000 0.968 719 R CB -0.115 30.213 30.300 0.047 0.000 0.863 719 R HN 0.269 nan 8.270 nan 0.000 0.444 720 E N 0.067 120.349 120.200 0.137 0.000 2.038 720 E HA -0.229 4.120 4.350 -0.001 0.000 0.195 720 E C 1.990 178.692 176.600 0.170 0.000 1.000 720 E CA 1.377 57.862 56.400 0.142 0.000 0.803 720 E CB -0.113 29.667 29.700 0.134 0.000 0.750 720 E HN 0.193 nan 8.360 nan 0.000 0.448 721 L N 0.295 121.627 121.223 0.181 0.000 1.989 721 L HA -0.229 4.110 4.340 -0.001 0.000 0.211 721 L C 2.199 179.188 176.870 0.199 0.000 1.071 721 L CA 1.974 56.909 54.840 0.159 0.000 0.749 721 L CB -0.998 41.026 42.059 -0.057 0.000 0.890 721 L HN 0.280 nan 8.230 nan 0.000 0.431 722 Y N 0.274 120.609 120.300 0.059 0.000 2.228 722 Y HA -0.259 4.290 4.550 -0.001 0.000 0.285 722 Y C 2.147 178.132 175.900 0.142 0.000 1.178 722 Y CA 1.936 60.096 58.100 0.100 0.000 1.202 722 Y CB -0.768 37.729 38.460 0.063 0.000 0.974 722 Y HN 0.278 nan 8.280 nan 0.000 0.527 723 G N -0.572 108.319 108.800 0.153 0.000 2.424 723 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.214 723 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.214 723 G C 1.588 176.502 174.900 0.022 0.000 1.202 723 G CA 0.841 45.978 45.100 0.061 0.000 0.793 723 G HN 0.284 nan 8.290 nan 0.000 0.534 724 K N 0.162 120.606 120.400 0.073 0.000 2.173 724 K HA -0.109 4.211 4.320 -0.001 0.000 0.207 724 K C 2.239 178.737 176.600 -0.170 0.000 1.046 724 K CA 1.131 57.454 56.287 0.060 0.000 0.929 724 K CB -0.609 32.024 32.500 0.223 0.000 0.720 724 K HN 0.305 nan 8.250 nan 0.000 0.453 725 L N 0.055 121.161 121.223 -0.195 0.000 1.948 725 L HA -0.133 4.207 4.340 -0.001 0.000 0.212 725 L C 1.741 178.328 176.870 -0.472 0.000 1.074 725 L CA 2.060 56.543 54.840 -0.595 0.000 0.753 725 L CB -0.985 40.938 42.059 -0.226 0.000 0.888 725 L HN 0.327 nan 8.230 nan 0.000 0.432 726 H N -0.484 118.368 119.070 -0.364 0.000 2.457 726 H HA -0.119 4.437 4.556 -0.001 0.000 0.297 726 H C 2.168 177.379 175.328 -0.195 0.000 1.092 726 H CA 1.525 57.418 56.048 -0.259 0.000 1.309 726 H CB -0.032 29.579 29.762 -0.251 0.000 1.382 726 H HN 0.533 nan 8.280 nan 0.000 0.535 727 E N -0.506 119.653 120.200 -0.069 0.000 2.077 727 E HA -0.151 4.198 4.350 -0.001 0.000 0.193 727 E C 1.833 178.364 176.600 -0.115 0.000 0.989 727 E CA 1.658 58.021 56.400 -0.062 0.000 0.800 727 E CB 0.150 29.824 29.700 -0.043 0.000 0.746 727 E HN 0.432 nan 8.360 nan 0.000 0.452 728 T N 1.264 115.676 114.554 -0.237 0.000 2.770 728 T HA -0.134 4.215 4.350 -0.001 0.000 0.263 728 T C 1.761 176.323 174.700 -0.230 0.000 1.039 728 T CA 0.783 62.718 62.100 -0.274 0.000 1.142 728 T CB -0.273 68.288 68.868 -0.510 0.000 0.868 728 T HN 0.074 nan 8.240 nan 0.000 0.435 729 L N 1.549 122.604 121.223 -0.281 0.000 2.137 729 L HA -0.098 4.242 4.340 -0.001 0.000 0.213 729 L C 2.174 179.002 176.870 -0.069 0.000 1.085 729 L CA 1.861 56.565 54.840 -0.226 0.000 0.760 729 L CB -0.515 41.353 42.059 -0.318 0.000 0.893 729 L HN 0.110 nan 8.230 nan 0.000 0.434 730 K N -0.745 119.627 120.400 -0.047 0.000 2.021 730 K HA -0.213 4.107 4.320 -0.001 0.000 0.205 730 K C 2.258 178.858 176.600 -0.000 0.000 1.047 730 K CA 1.203 57.494 56.287 0.007 0.000 0.943 730 K CB -0.077 32.428 32.500 0.008 0.000 0.725 730 K HN 0.123 nan 8.250 nan 0.000 0.439 731 K N 0.892 121.274 120.400 -0.030 0.000 2.063 731 K HA -0.102 4.218 4.320 -0.001 0.000 0.208 731 K C 1.758 178.341 176.600 -0.028 0.000 1.048 731 K CA 1.486 57.754 56.287 -0.032 0.000 0.928 731 K CB -0.439 32.033 32.500 -0.045 0.000 0.713 731 K HN 0.035 nan 8.250 nan 0.000 0.442 732 V N 0.339 120.238 119.914 -0.026 0.000 2.307 732 V HA -0.220 3.900 4.120 -0.001 0.000 0.245 732 V C 2.083 178.198 176.094 0.035 0.000 1.045 732 V CA 2.295 64.602 62.300 0.010 0.000 1.024 732 V CB -0.737 31.094 31.823 0.015 0.000 0.651 732 V HN 0.438 nan 8.190 nan 0.000 0.449 733 T N -0.243 114.381 114.554 0.117 0.000 2.684 733 T HA -0.225 4.125 4.350 -0.001 0.000 0.267 733 T C 1.784 176.455 174.700 -0.048 0.000 1.036 733 T CA 1.875 64.030 62.100 0.091 0.000 1.148 733 T CB -0.234 68.810 68.868 0.294 0.000 0.863 733 T HN 0.601 nan 8.240 nan 0.000 0.436 734 E N 0.886 121.080 120.200 -0.009 0.000 2.031 734 E HA -0.147 4.203 4.350 -0.001 0.000 0.193 734 E C 2.179 178.736 176.600 -0.073 0.000 0.994 734 E CA 1.149 57.532 56.400 -0.027 0.000 0.800 734 E CB -0.198 29.494 29.700 -0.014 0.000 0.752 734 E HN 0.330 nan 8.360 nan 0.000 0.447 735 D N 0.761 121.117 120.400 -0.073 0.000 2.203 735 D HA -0.180 4.459 4.640 -0.001 0.000 0.199 735 D C 1.952 178.157 176.300 -0.158 0.000 0.997 735 D CA 0.894 54.837 54.000 -0.096 0.000 0.863 735 D CB -0.142 40.626 40.800 -0.053 0.000 0.928 735 D HN 0.142 nan 8.370 nan 0.000 0.458 736 L N 0.494 121.598 121.223 -0.198 0.000 2.007 736 L HA -0.098 4.241 4.340 -0.001 0.000 0.205 736 L C 2.146 178.889 176.870 -0.211 0.000 1.073 736 L CA 1.012 55.675 54.840 -0.295 0.000 0.744 736 L CB -0.399 41.136 42.059 -0.873 0.000 0.898 736 L HN -0.007 nan 8.230 nan 0.000 0.435 737 E N 0.056 120.181 120.200 -0.125 0.000 2.455 737 E HA -0.163 4.187 4.350 -0.001 0.000 0.202 737 E C 1.183 177.751 176.600 -0.053 0.000 1.045 737 E CA 0.771 57.173 56.400 0.003 0.000 0.872 737 E CB -0.030 29.702 29.700 0.053 0.000 0.792 737 E HN 0.452 nan 8.360 nan 0.000 0.542 738 A N 0.286 123.037 122.820 -0.115 0.000 2.564 738 A HA 0.248 4.567 4.320 -0.001 0.000 0.279 738 A C 0.577 178.042 177.584 -0.199 0.000 1.232 738 A CA -0.414 51.554 52.037 -0.116 0.000 0.950 738 A CB 0.205 19.148 19.000 -0.094 0.000 1.138 738 A HN 0.166 nan 8.150 nan 0.000 0.526 739 L N -0.621 120.390 121.223 -0.354 0.000 3.858 739 L HA -0.225 4.115 4.340 -0.001 0.000 0.425 739 L C 0.648 176.986 176.870 -0.887 0.000 1.177 739 L CA 1.109 55.488 54.840 -0.768 0.000 0.943 739 L CB -1.633 40.195 42.059 -0.386 0.000 1.861 739 L HN 0.533 nan 8.230 nan 0.000 0.985 740 R N -0.653 119.492 120.500 -0.592 0.000 2.755 740 R HA 0.253 4.593 4.340 -0.001 0.000 0.268 740 R C 0.785 176.932 176.300 -0.256 0.000 1.295 740 R CA -0.367 55.523 56.100 -0.349 0.000 1.379 740 R CB 0.135 30.334 30.300 -0.169 0.000 1.170 740 R HN 0.070 nan 8.270 nan 0.000 0.584 741 F N 1.176 121.114 119.950 -0.021 0.000 2.118 741 F HA -0.181 4.345 4.527 -0.001 0.000 0.293 741 F C 2.235 178.042 175.800 0.012 0.000 1.102 741 F CA 0.924 58.951 58.000 0.044 0.000 1.247 741 F CB -0.692 38.351 39.000 0.071 0.000 1.017 741 F HN 0.378 nan 8.300 nan 0.000 0.475 742 N N 0.586 119.376 118.700 0.149 0.000 2.073 742 N HA -0.292 4.447 4.740 -0.001 0.000 0.199 742 N C 1.519 177.020 175.510 -0.015 0.000 1.023 742 N CA 2.669 55.711 53.050 -0.013 0.000 0.880 742 N CB -1.990 36.366 38.487 -0.218 0.000 1.052 742 N HN 0.457 nan 8.380 nan 0.000 0.449 743 T N -3.437 111.094 114.554 -0.038 0.000 2.951 743 T HA 0.290 4.639 4.350 -0.001 0.000 0.268 743 T C 1.989 176.669 174.700 -0.034 0.000 1.073 743 T CA 1.052 63.129 62.100 -0.038 0.000 1.134 743 T CB -0.561 68.275 68.868 -0.054 0.000 0.884 743 T HN 0.431 nan 8.240 nan 0.000 0.479 744 A N 1.448 124.254 122.820 -0.023 0.000 1.898 744 A HA 0.165 4.485 4.320 -0.001 0.000 0.216 744 A C 2.308 179.725 177.584 -0.279 0.000 1.181 744 A CA 1.082 53.071 52.037 -0.079 0.000 0.620 744 A CB -0.759 18.291 19.000 0.083 0.000 0.819 744 A HN 0.558 nan 8.150 nan 0.000 0.442 745 I N -0.294 120.100 120.570 -0.293 0.000 2.072 745 I HA -0.278 3.892 4.170 -0.001 0.000 0.235 745 I C 3.013 178.970 176.117 -0.267 0.000 1.058 745 I CA 1.142 62.194 61.300 -0.415 0.000 1.320 745 I CB -0.455 37.435 38.000 -0.182 0.000 1.047 745 I HN 0.339 nan 8.210 nan 0.000 0.397 746 A N 0.735 123.579 122.820 0.040 0.000 2.009 746 A HA -0.307 4.012 4.320 -0.001 0.000 0.222 746 A C 2.428 179.978 177.584 -0.057 0.000 1.175 746 A CA 2.197 54.268 52.037 0.056 0.000 0.651 746 A CB -1.015 18.124 19.000 0.231 0.000 0.815 746 A HN 0.534 nan 8.150 nan 0.000 0.459 747 A N -1.019 121.759 122.820 -0.071 0.000 2.070 747 A HA 0.057 4.377 4.320 -0.001 0.000 0.220 747 A C 2.093 179.649 177.584 -0.047 0.000 1.159 747 A CA 1.458 53.460 52.037 -0.058 0.000 0.656 747 A CB -0.392 18.559 19.000 -0.082 0.000 0.800 747 A HN 0.509 nan 8.150 nan 0.000 0.453 748 L N -1.570 119.582 121.223 -0.117 0.000 2.168 748 L HA -0.015 4.324 4.340 -0.001 0.000 0.203 748 L C 2.706 179.674 176.870 0.164 0.000 1.078 748 L CA 0.675 55.500 54.840 -0.026 0.000 0.780 748 L CB -0.360 41.579 42.059 -0.199 0.000 0.939 748 L HN 0.360 nan 8.230 nan 0.000 0.451 749 M N -0.446 119.041 119.600 -0.189 0.000 2.149 749 M HA -0.258 4.221 4.480 -0.001 0.000 0.261 749 M C 2.127 178.479 176.300 0.087 0.000 1.064 749 M CA 1.778 56.953 55.300 -0.208 0.000 1.102 749 M CB -0.513 31.741 32.600 -0.576 0.000 1.369 749 M HN 0.244 nan 8.290 nan 0.000 0.408 750 E N 0.385 120.636 120.200 0.086 0.000 2.072 750 E HA -0.204 4.145 4.350 -0.001 0.000 0.191 750 E C 1.802 178.554 176.600 0.253 0.000 0.985 750 E CA 1.137 57.622 56.400 0.142 0.000 0.801 750 E CB -0.043 29.721 29.700 0.107 0.000 0.750 750 E HN 0.413 nan 8.360 nan 0.000 0.452 751 F N 0.795 120.818 119.950 0.122 0.000 2.325 751 F HA -0.058 4.468 4.527 -0.001 0.000 0.299 751 F C 1.784 177.675 175.800 0.152 0.000 1.090 751 F CA 0.607 58.694 58.000 0.145 0.000 1.392 751 F CB -0.266 38.843 39.000 0.182 0.000 1.053 751 F HN 0.116 nan 8.300 nan 0.000 0.521 752 L N 1.189 122.570 121.223 0.263 0.000 1.955 752 L HA -0.268 4.072 4.340 -0.001 0.000 0.213 752 L C 2.206 179.058 176.870 -0.029 0.000 1.072 752 L CA 2.044 56.865 54.840 -0.031 0.000 0.755 752 L CB -1.339 40.844 42.059 0.206 0.000 0.888 752 L HN 0.053 nan 8.230 nan 0.000 0.432 753 N N 0.207 119.003 118.700 0.161 0.000 2.132 753 N HA -0.253 4.486 4.740 -0.001 0.000 0.191 753 N C 1.772 177.363 175.510 0.133 0.000 1.015 753 N CA 1.750 54.926 53.050 0.209 0.000 0.864 753 N CB -0.604 37.985 38.487 0.169 0.000 1.006 753 N HN 0.593 nan 8.380 nan 0.000 0.430 754 A N 1.442 124.303 122.820 0.067 0.000 1.858 754 A HA -0.078 4.242 4.320 -0.001 0.000 0.216 754 A C 2.467 180.019 177.584 -0.053 0.000 1.190 754 A CA 1.005 53.068 52.037 0.043 0.000 0.617 754 A CB -0.839 18.232 19.000 0.119 0.000 0.827 754 A HN 0.225 nan 8.150 nan 0.000 0.443 755 L N -2.040 118.999 121.223 -0.307 0.000 2.042 755 L HA -0.255 4.085 4.340 -0.001 0.000 0.210 755 L C 2.630 179.477 176.870 -0.038 0.000 1.076 755 L CA 1.595 56.271 54.840 -0.274 0.000 0.749 755 L CB -0.702 41.022 42.059 -0.559 0.000 0.893 755 L HN 0.449 nan 8.230 nan 0.000 0.432 756 Y N 0.346 120.645 120.300 -0.001 0.000 2.097 756 Y HA -0.263 4.286 4.550 -0.001 0.000 0.282 756 Y C 2.794 178.718 175.900 0.041 0.000 1.152 756 Y CA 1.276 59.391 58.100 0.026 0.000 1.136 756 Y CB -0.455 38.014 38.460 0.015 0.000 0.975 756 Y HN 0.129 nan 8.280 nan 0.000 0.498 757 E N -0.842 119.488 120.200 0.217 0.000 2.097 757 E HA -0.300 4.049 4.350 -0.001 0.000 0.196 757 E C 2.116 178.786 176.600 0.118 0.000 1.000 757 E CA 1.636 58.117 56.400 0.137 0.000 0.804 757 E CB -0.895 28.877 29.700 0.119 0.000 0.740 757 E HN 0.649 nan 8.360 nan 0.000 0.454 758 Y N 1.388 121.697 120.300 0.015 0.000 2.315 758 Y HA -0.204 4.345 4.550 -0.001 0.000 0.288 758 Y C 2.045 177.907 175.900 -0.064 0.000 1.154 758 Y CA 1.431 59.524 58.100 -0.011 0.000 1.229 758 Y CB 0.204 38.671 38.460 0.011 0.000 0.980 758 Y HN -0.091 nan 8.280 nan 0.000 0.540 759 R N 0.324 120.836 120.500 0.020 0.000 2.127 759 R HA -0.004 4.336 4.340 -0.001 0.000 0.217 759 R C 1.967 178.199 176.300 -0.113 0.000 1.074 759 R CA 0.793 56.827 56.100 -0.111 0.000 0.991 759 R CB -0.416 29.859 30.300 -0.041 0.000 0.895 759 R HN 0.362 nan 8.270 nan 0.000 0.450 760 K N 0.558 120.929 120.400 -0.048 0.000 2.286 760 K HA -0.158 4.161 4.320 -0.001 0.000 0.203 760 K C 0.630 177.171 176.600 -0.098 0.000 1.045 760 K CA 1.601 57.859 56.287 -0.049 0.000 0.935 760 K CB 0.144 32.633 32.500 -0.019 0.000 0.737 760 K HN 0.247 nan 8.250 nan 0.000 0.460 761 D N -0.897 119.402 120.400 -0.168 0.000 3.239 761 D HA 0.006 4.645 4.640 -0.001 0.000 0.265 761 D C 0.578 176.712 176.300 -0.276 0.000 1.442 761 D CA -0.077 53.807 54.000 -0.193 0.000 1.178 761 D CB -0.191 40.499 40.800 -0.183 0.000 1.198 761 D HN -0.150 nan 8.370 nan 0.000 0.366 762 R N 1.564 121.773 120.500 -0.484 0.000 2.694 762 R HA 0.213 4.553 4.340 -0.001 0.000 0.268 762 R C -1.873 174.175 176.300 -0.420 0.000 1.061 762 R CA -0.749 55.006 56.100 -0.574 0.000 1.133 762 R CB 0.248 29.812 30.300 -1.226 0.000 1.020 762 R HN -0.044 nan 8.270 nan 0.000 0.475 763 P HA 0.056 nan 4.420 nan 0.000 0.285 763 P C -0.825 176.346 177.300 -0.215 0.000 1.372 763 P CA 0.011 62.999 63.100 -0.187 0.000 0.764 763 P CB 0.339 31.970 31.700 -0.115 0.000 1.744 764 V N -0.963 118.871 119.914 -0.133 0.000 2.467 764 V HA 0.192 4.312 4.120 -0.001 0.000 0.260 764 V C 0.154 176.263 176.094 0.024 0.000 0.963 764 V CA -0.408 61.811 62.300 -0.134 0.000 0.856 764 V CB 0.215 31.981 31.823 -0.095 0.000 1.087 764 V HN 0.389 nan 8.190 nan 0.000 0.467 765 T N 1.918 116.527 114.554 0.092 0.000 2.849 765 T HA 0.361 4.710 4.350 -0.001 0.000 0.284 765 T C -1.282 173.472 174.700 0.090 0.000 1.004 765 T CA -1.381 60.768 62.100 0.082 0.000 1.021 765 T CB 1.907 70.822 68.868 0.077 0.000 1.013 765 T HN 0.262 nan 8.240 nan 0.000 0.527 766 P HA -0.142 nan 4.420 nan 0.000 0.215 766 P C 1.752 179.064 177.300 0.020 0.000 1.163 766 P CA 0.784 63.935 63.100 0.085 0.000 0.894 766 P CB -0.250 31.534 31.700 0.140 0.000 0.791 767 V N -1.198 118.514 119.914 -0.337 0.000 2.282 767 V HA -0.303 3.816 4.120 -0.001 0.000 0.249 767 V C 2.207 178.242 176.094 -0.098 0.000 1.057 767 V CA 1.979 64.024 62.300 -0.425 0.000 1.032 767 V CB -1.236 30.257 31.823 -0.549 0.000 0.645 767 V HN 0.046 nan 8.190 nan 0.000 0.447 768 Y N 1.084 121.267 120.300 -0.195 0.000 2.256 768 Y HA -0.234 4.316 4.550 -0.001 0.000 0.288 768 Y C 2.652 178.486 175.900 -0.110 0.000 1.155 768 Y CA 2.392 60.368 58.100 -0.206 0.000 1.203 768 Y CB -0.264 38.131 38.460 -0.108 0.000 0.980 768 Y HN 0.260 nan 8.280 nan 0.000 0.530 769 R N -0.609 119.921 120.500 0.048 0.000 2.075 769 R HA -0.161 4.178 4.340 -0.001 0.000 0.230 769 R C 2.141 178.412 176.300 -0.049 0.000 1.140 769 R CA 2.291 58.388 56.100 -0.004 0.000 0.928 769 R CB -0.838 29.519 30.300 0.096 0.000 0.834 769 R HN 0.242 nan 8.270 nan 0.000 0.429 770 T N 0.922 115.498 114.554 0.036 0.000 2.721 770 T HA -0.231 4.118 4.350 -0.001 0.000 0.268 770 T C 1.744 176.315 174.700 -0.215 0.000 1.038 770 T CA 1.553 63.617 62.100 -0.059 0.000 1.145 770 T CB -0.397 68.502 68.868 0.051 0.000 0.858 770 T HN 0.535 nan 8.240 nan 0.000 0.459 771 A N 1.257 123.956 122.820 -0.200 0.000 1.940 771 A HA -0.072 4.248 4.320 -0.001 0.000 0.219 771 A C 2.212 179.731 177.584 -0.109 0.000 1.176 771 A CA 1.211 53.157 52.037 -0.152 0.000 0.631 771 A CB -0.535 18.310 19.000 -0.258 0.000 0.814 771 A HN 0.479 nan 8.150 nan 0.000 0.446 772 I N -0.957 119.449 120.570 -0.272 0.000 2.406 772 I HA -0.124 4.046 4.170 -0.001 0.000 0.249 772 I C 2.499 178.632 176.117 0.028 0.000 1.122 772 I CA 1.336 62.528 61.300 -0.180 0.000 1.431 772 I CB -1.159 36.643 38.000 -0.331 0.000 1.087 772 I HN 0.438 nan 8.210 nan 0.000 0.424 773 R N 0.449 120.940 120.500 -0.016 0.000 2.083 773 R HA -0.234 4.106 4.340 -0.001 0.000 0.237 773 R C 2.455 178.855 176.300 0.168 0.000 1.137 773 R CA 1.896 57.936 56.100 -0.100 0.000 0.951 773 R CB -0.236 29.875 30.300 -0.315 0.000 0.851 773 R HN 0.178 nan 8.270 nan 0.000 0.434 774 Y N -0.864 119.364 120.300 -0.119 0.000 2.220 774 Y HA -0.190 4.359 4.550 -0.001 0.000 0.291 774 Y C 2.051 177.872 175.900 -0.132 0.000 1.129 774 Y CA 0.758 58.741 58.100 -0.195 0.000 1.161 774 Y CB -1.053 37.267 38.460 -0.233 0.000 0.997 774 Y HN 0.154 nan 8.280 nan 0.000 0.522 775 Y N 0.183 120.534 120.300 0.086 0.000 2.165 775 Y HA -0.256 4.294 4.550 -0.001 0.000 0.286 775 Y C 2.179 178.086 175.900 0.013 0.000 1.155 775 Y CA 1.519 59.661 58.100 0.071 0.000 1.164 775 Y CB -0.570 37.944 38.460 0.090 0.000 0.978 775 Y HN 0.012 nan 8.280 nan 0.000 0.513 776 L N -0.356 121.014 121.223 0.245 0.000 1.976 776 L HA -0.308 4.031 4.340 -0.001 0.000 0.209 776 L C 2.543 179.367 176.870 -0.077 0.000 1.071 776 L CA 1.859 56.793 54.840 0.157 0.000 0.746 776 L CB -0.851 41.389 42.059 0.302 0.000 0.890 776 L HN 0.219 nan 8.230 nan 0.000 0.432 777 Q N -0.536 119.125 119.800 -0.231 0.000 2.133 777 Q HA -0.270 4.070 4.340 -0.001 0.000 0.208 777 Q C 2.249 178.057 176.000 -0.319 0.000 0.991 777 Q CA 1.985 57.526 55.803 -0.437 0.000 0.867 777 Q CB -0.183 28.205 28.738 -0.584 0.000 0.911 777 Q HN 0.545 nan 8.270 nan 0.000 0.417 778 M N -0.573 118.810 119.600 -0.361 0.000 2.288 778 M HA -0.086 4.394 4.480 -0.001 0.000 0.266 778 M C 1.965 178.333 176.300 0.113 0.000 1.072 778 M CA 0.646 55.809 55.300 -0.230 0.000 1.132 778 M CB -0.132 32.264 32.600 -0.340 0.000 1.386 778 M HN 0.208 nan 8.290 nan 0.000 0.432 779 L N 0.240 121.477 121.223 0.023 0.000 2.217 779 L HA -0.053 4.286 4.340 -0.001 0.000 0.211 779 L C 2.057 179.088 176.870 0.268 0.000 1.107 779 L CA 1.398 56.344 54.840 0.177 0.000 0.783 779 L CB -0.854 41.265 42.059 0.101 0.000 0.919 779 L HN 0.090 nan 8.230 nan 0.000 0.442 780 F N 1.815 121.721 119.950 -0.073 0.000 2.039 780 F HA -0.233 4.294 4.527 -0.000 0.000 0.296 780 F C -0.414 175.214 175.800 -0.286 0.000 1.119 780 F CA 2.263 60.135 58.000 -0.214 0.000 1.211 780 F CB -2.113 36.678 39.000 -0.349 0.000 0.956 780 F HN 0.166 nan 8.300 nan 0.000 0.496 781 P HA -0.225 nan 4.420 nan 0.000 0.217 781 P C 1.518 178.279 177.300 -0.898 0.000 1.151 781 P CA 2.208 64.801 63.100 -0.846 0.000 0.849 781 P CB -0.305 30.826 31.700 -0.948 0.000 0.787 782 F N -1.232 118.572 119.950 -0.243 0.000 2.220 782 F HA 0.233 4.759 4.527 -0.002 0.000 0.290 782 F C 1.445 177.148 175.800 -0.160 0.000 1.080 782 F CA 0.380 58.261 58.000 -0.198 0.000 1.318 782 F CB -0.801 38.141 39.000 -0.098 0.000 1.063 782 F HN -0.256 nan 8.300 nan 0.000 0.498 783 A N 1.346 124.212 122.820 0.078 0.000 2.802 783 A HA 0.396 4.716 4.320 -0.001 0.000 0.344 783 A C -1.862 175.730 177.584 0.012 0.000 1.215 783 A CA -1.222 50.835 52.037 0.034 0.000 0.821 783 A CB -0.218 18.831 19.000 0.082 0.000 1.099 783 A HN -0.009 nan 8.150 nan 0.000 0.479 784 P HA -0.182 nan 4.420 nan 0.000 0.220 784 P C 0.797 178.286 177.300 0.315 0.000 1.148 784 P CA 1.410 64.451 63.100 -0.099 0.000 0.803 784 P CB 0.154 31.413 31.700 -0.736 0.000 0.782 785 H N -0.156 119.162 119.070 0.414 0.000 2.343 785 H HA -0.027 4.528 4.556 -0.001 0.000 0.307 785 H C 2.059 177.503 175.328 0.193 0.000 1.045 785 H CA 0.438 56.701 56.048 0.358 0.000 1.281 785 H CB -1.082 28.904 29.762 0.375 0.000 1.425 785 H HN -0.085 nan 8.280 nan 0.000 0.540 786 L N 1.232 122.693 121.223 0.396 0.000 2.256 786 L HA -0.302 4.038 4.340 -0.001 0.000 0.218 786 L C 2.136 179.112 176.870 0.175 0.000 1.089 786 L CA 1.881 56.902 54.840 0.303 0.000 0.777 786 L CB -0.877 41.287 42.059 0.176 0.000 0.890 786 L HN 0.411 nan 8.230 nan 0.000 0.439 787 A N -1.065 121.846 122.820 0.151 0.000 1.854 787 A HA -0.177 4.143 4.320 -0.001 0.000 0.214 787 A C 2.253 179.855 177.584 0.029 0.000 1.192 787 A CA 1.277 53.376 52.037 0.102 0.000 0.611 787 A CB -0.680 18.403 19.000 0.139 0.000 0.832 787 A HN 0.497 nan 8.150 nan 0.000 0.442 788 E N -0.133 120.004 120.200 -0.105 0.000 2.085 788 E HA -0.218 4.132 4.350 -0.001 0.000 0.194 788 E C 1.892 178.396 176.600 -0.160 0.000 0.994 788 E CA 1.563 57.761 56.400 -0.337 0.000 0.801 788 E CB -0.121 29.102 29.700 -0.794 0.000 0.743 788 E HN 0.550 nan 8.360 nan 0.000 0.453 789 E N 0.496 120.633 120.200 -0.105 0.000 2.002 789 E HA -0.198 4.152 4.350 -0.001 0.000 0.205 789 E C 1.987 178.627 176.600 0.066 0.000 1.020 789 E CA 1.864 58.481 56.400 0.361 0.000 0.856 789 E CB -0.749 29.219 29.700 0.446 0.000 0.788 789 E HN 0.351 nan 8.360 nan 0.000 0.477 790 L N 0.139 121.217 121.223 -0.240 0.000 2.051 790 L HA -0.218 4.121 4.340 -0.001 0.000 0.214 790 L C 2.627 179.431 176.870 -0.110 0.000 1.076 790 L CA 1.754 56.154 54.840 -0.734 0.000 0.758 790 L CB -0.759 41.073 42.059 -0.379 0.000 0.890 790 L HN 0.436 nan 8.230 nan 0.000 0.433 791 W N 0.966 122.281 121.300 0.025 0.000 2.350 791 W HA -0.230 4.429 4.660 -0.001 0.000 0.289 791 W C 2.220 178.917 176.519 0.297 0.000 1.215 791 W CA 1.853 59.354 57.345 0.261 0.000 1.236 791 W CB -0.341 29.162 29.460 0.072 0.000 1.130 791 W HN 0.302 nan 8.180 nan 0.000 0.541 792 H N -1.407 117.873 119.070 0.351 0.000 2.495 792 H HA -0.111 4.445 4.556 -0.001 0.000 0.287 792 H C 1.678 177.087 175.328 0.136 0.000 1.033 792 H CA 2.077 58.304 56.048 0.298 0.000 1.307 792 H CB -0.826 29.215 29.762 0.465 0.000 1.401 792 H HN 0.079 nan 8.280 nan 0.000 0.555 793 W N -0.318 120.862 121.300 -0.201 0.000 2.424 793 W HA -0.080 4.579 4.660 -0.001 0.000 0.264 793 W C 0.542 176.309 176.519 -1.253 0.000 1.229 793 W CA 0.818 57.688 57.345 -0.791 0.000 1.208 793 W CB -0.767 27.927 29.460 -1.277 0.000 1.127 793 W HN 0.264 nan 8.180 nan 0.000 0.588 794 F N -4.960 114.816 119.950 -0.290 0.000 2.925 794 F HA 0.235 4.762 4.527 -0.001 0.000 0.359 794 F C 0.570 175.543 175.800 -1.378 0.000 1.038 794 F CA -0.763 56.681 58.000 -0.926 0.000 1.130 794 F CB -0.228 37.854 39.000 -1.530 0.000 1.093 794 F HN -0.357 nan 8.300 nan 0.000 0.561 795 W N 2.706 123.794 121.300 -0.352 0.000 2.844 795 W HA 0.332 4.991 4.660 -0.001 0.000 0.340 795 W C -2.029 174.329 176.519 -0.269 0.000 1.093 795 W CA -1.616 55.450 57.345 -0.464 0.000 1.212 795 W CB 1.433 30.232 29.460 -1.102 0.000 1.422 795 W HN -0.330 nan 8.180 nan 0.000 0.515 796 P HA -0.137 nan 4.420 nan 0.000 0.199 796 P C 0.308 177.775 177.300 0.277 0.000 1.169 796 P CA 1.203 64.413 63.100 0.184 0.000 0.900 796 P CB 0.167 31.982 31.700 0.191 0.000 0.733 797 D N -0.079 120.539 120.400 0.364 0.000 2.300 797 D HA 0.007 4.646 4.640 -0.001 0.000 0.235 797 D C 0.718 177.345 176.300 0.545 0.000 1.338 797 D CA 0.343 54.626 54.000 0.472 0.000 0.903 797 D CB -0.205 40.826 40.800 0.386 0.000 1.180 797 D HN 0.050 nan 8.370 nan 0.000 0.485 798 S N -0.840 115.231 115.700 0.618 0.000 2.601 798 S HA 0.149 4.618 4.470 -0.001 0.000 0.271 798 S C 1.619 176.178 174.600 -0.069 0.000 1.305 798 S CA -0.790 57.736 58.200 0.542 0.000 1.022 798 S CB 0.413 64.122 63.200 0.848 0.000 0.940 798 S HN 0.390 nan 8.310 nan 0.000 0.525 799 L N 2.865 123.724 121.223 -0.607 0.000 2.189 799 L HA -0.138 4.202 4.340 -0.001 0.000 0.214 799 L C 1.753 178.128 176.870 -0.826 0.000 1.097 799 L CA 1.397 55.488 54.840 -1.249 0.000 0.764 799 L CB -0.521 40.266 42.059 -2.119 0.000 0.900 799 L HN 0.728 nan 8.230 nan 0.000 0.436 800 F N 0.366 119.944 119.950 -0.620 0.000 2.307 800 F HA -0.219 4.307 4.527 -0.001 0.000 0.301 800 F C 2.067 177.636 175.800 -0.384 0.000 1.076 800 F CA 1.334 59.006 58.000 -0.546 0.000 1.383 800 F CB -0.080 38.195 39.000 -1.208 0.000 1.055 800 F HN 0.203 nan 8.300 nan 0.000 0.526 801 E N -0.975 119.146 120.200 -0.132 0.000 2.501 801 E HA 0.244 4.593 4.350 -0.001 0.000 0.200 801 E C 1.708 178.278 176.600 -0.050 0.000 1.016 801 E CA 0.350 56.734 56.400 -0.026 0.000 0.921 801 E CB 0.267 30.023 29.700 0.094 0.000 1.034 801 E HN 0.298 nan 8.360 nan 0.000 0.468 802 A N 1.645 124.355 122.820 -0.184 0.000 1.970 802 A HA 0.345 4.664 4.320 -0.001 0.000 0.216 802 A C 1.328 178.813 177.584 -0.164 0.000 1.170 802 A CA 0.994 52.915 52.037 -0.194 0.000 0.645 802 A CB -0.255 18.432 19.000 -0.521 0.000 0.816 802 A HN 0.334 nan 8.150 nan 0.000 0.447 803 G N -2.669 106.037 108.800 -0.157 0.000 2.756 803 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.678 803 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.678 803 G C -0.394 174.469 174.900 -0.062 0.000 1.349 803 G CA -0.224 44.822 45.100 -0.090 0.000 0.847 803 G HN 0.865 nan 8.290 nan 0.000 0.548 804 W N 1.397 122.561 121.300 -0.228 0.000 2.390 804 W HA 0.547 5.207 4.660 -0.001 0.000 0.312 804 W C -1.905 174.450 176.519 -0.274 0.000 1.123 804 W CA -1.722 55.493 57.345 -0.217 0.000 1.202 804 W CB 1.460 30.840 29.460 -0.134 0.000 1.251 804 W HN 0.526 nan 8.180 nan 0.000 0.511 805 P HA -0.093 nan 4.420 nan 0.000 0.262 805 P C -0.857 176.116 177.300 -0.545 0.000 1.182 805 P CA 0.682 63.173 63.100 -1.014 0.000 0.761 805 P CB 0.474 31.191 31.700 -1.638 0.000 0.795 806 E N 2.865 122.887 120.200 -0.298 0.000 2.180 806 E HA 0.195 4.545 4.350 -0.001 0.000 0.283 806 E C -0.442 176.171 176.600 0.022 0.000 1.061 806 E CA -0.794 55.568 56.400 -0.063 0.000 0.861 806 E CB 0.220 29.924 29.700 0.006 0.000 1.056 806 E HN 0.273 nan 8.360 nan 0.000 0.407 807 L N 4.373 125.633 121.223 0.060 0.000 2.461 807 L HA 0.166 4.505 4.340 -0.001 0.000 0.272 807 L C -0.565 176.461 176.870 0.260 0.000 1.197 807 L CA 0.591 55.545 54.840 0.190 0.000 0.836 807 L CB 0.982 43.118 42.059 0.129 0.000 1.105 807 L HN 0.574 nan 8.230 nan 0.000 0.477 808 D N 2.260 122.870 120.400 0.349 0.000 2.462 808 D HA 0.197 4.836 4.640 -0.001 0.000 0.245 808 D C 0.596 176.861 176.300 -0.058 0.000 1.122 808 D CA -0.332 53.679 54.000 0.019 0.000 0.864 808 D CB 0.971 41.662 40.800 -0.181 0.000 1.098 808 D HN 0.566 nan 8.370 nan 0.000 0.541 809 E N 3.194 123.398 120.200 0.006 0.000 2.021 809 E HA -0.241 4.108 4.350 -0.001 0.000 0.200 809 E C 1.400 177.992 176.600 -0.014 0.000 1.015 809 E CA 1.239 57.641 56.400 0.004 0.000 0.824 809 E CB -0.111 29.599 29.700 0.017 0.000 0.762 809 E HN 0.613 nan 8.360 nan 0.000 0.454 810 K N 0.651 121.048 120.400 -0.005 0.000 2.189 810 K HA -0.181 4.139 4.320 -0.001 0.000 0.207 810 K C 2.062 178.664 176.600 0.004 0.000 1.046 810 K CA 1.410 57.701 56.287 0.006 0.000 0.928 810 K CB -0.286 32.225 32.500 0.019 0.000 0.720 810 K HN 0.119 nan 8.250 nan 0.000 0.458 811 A N 1.159 123.953 122.820 -0.045 0.000 2.066 811 A HA -0.017 4.302 4.320 -0.001 0.000 0.218 811 A C 1.996 179.560 177.584 -0.034 0.000 1.157 811 A CA 0.752 52.758 52.037 -0.053 0.000 0.670 811 A CB -0.322 18.465 19.000 -0.355 0.000 0.804 811 A HN 0.162 nan 8.150 nan 0.000 0.453 812 L N -0.233 120.972 121.223 -0.031 0.000 2.376 812 L HA -0.011 4.328 4.340 -0.001 0.000 0.219 812 L C 0.582 177.459 176.870 0.013 0.000 1.133 812 L CA 0.141 54.980 54.840 -0.003 0.000 0.816 812 L CB -0.395 41.666 42.059 0.003 0.000 0.933 812 L HN 0.392 nan 8.230 nan 0.000 0.449 813 E N 1.680 121.890 120.200 0.016 0.000 2.415 813 E HA 0.030 4.379 4.350 -0.001 0.000 0.263 813 E C -0.149 176.470 176.600 0.032 0.000 0.995 813 E CA 0.382 56.796 56.400 0.023 0.000 0.915 813 E CB 0.671 30.385 29.700 0.024 0.000 0.951 813 E HN 0.200 nan 8.360 nan 0.000 0.449 814 K N 2.589 123.008 120.400 0.031 0.000 2.090 814 K HA 0.246 4.566 4.320 -0.001 0.000 0.249 814 K C -0.456 176.168 176.600 0.040 0.000 0.995 814 K CA -0.613 55.698 56.287 0.039 0.000 0.914 814 K CB 0.811 33.333 32.500 0.037 0.000 1.057 814 K HN 0.548 nan 8.250 nan 0.000 0.462 815 D N -1.181 119.247 120.400 0.047 0.000 2.871 815 D HA 0.082 4.721 4.640 -0.001 0.000 0.209 815 D C -0.536 175.798 176.300 0.057 0.000 1.292 815 D CA -0.671 53.358 54.000 0.048 0.000 0.869 815 D CB 1.113 41.938 40.800 0.043 0.000 1.663 815 D HN 0.276 nan 8.370 nan 0.000 0.557 816 V N 0.178 120.130 119.914 0.063 0.000 5.999 816 V HA -0.222 3.897 4.120 -0.001 0.000 0.275 816 V C 0.532 176.685 176.094 0.099 0.000 0.606 816 V CA 0.582 62.930 62.300 0.080 0.000 0.836 816 V CB -1.933 29.931 31.823 0.070 0.000 0.869 816 V HN 0.594 nan 8.190 nan 0.000 0.497 817 V N 0.802 120.771 119.914 0.092 0.000 3.513 817 V HA 0.539 4.658 4.120 -0.001 0.000 0.297 817 V C 0.593 176.754 176.094 0.112 0.000 1.058 817 V CA -0.177 62.178 62.300 0.092 0.000 1.003 817 V CB 1.948 33.802 31.823 0.052 0.000 1.236 817 V HN 0.795 nan 8.190 nan 0.000 0.436 818 E N 0.262 120.505 120.200 0.073 0.000 2.101 818 E HA 0.489 4.839 4.350 -0.001 0.000 0.260 818 E C -1.350 175.213 176.600 -0.061 0.000 0.897 818 E CA -0.335 56.046 56.400 -0.031 0.000 0.744 818 E CB 1.449 31.128 29.700 -0.036 0.000 1.140 818 E HN 0.445 nan 8.360 nan 0.000 0.419 819 V N 2.768 122.642 119.914 -0.066 0.000 2.785 819 V HA 0.540 4.660 4.120 -0.001 0.000 0.300 819 V C 0.322 176.381 176.094 -0.059 0.000 1.062 819 V CA -0.388 61.885 62.300 -0.045 0.000 1.029 819 V CB 1.444 33.268 31.823 0.002 0.000 1.024 819 V HN 0.806 nan 8.190 nan 0.000 0.477 820 A N 3.662 126.457 122.820 -0.041 0.000 2.288 820 A HA 0.716 5.036 4.320 -0.001 0.000 0.320 820 A C -0.686 176.894 177.584 -0.007 0.000 1.217 820 A CA -0.466 51.552 52.037 -0.032 0.000 0.840 820 A CB 1.067 20.050 19.000 -0.027 0.000 1.179 820 A HN 0.622 nan 8.150 nan 0.000 0.504 821 V N 4.184 124.099 119.914 0.001 0.000 2.364 821 V HA 0.357 4.477 4.120 -0.001 0.000 0.272 821 V C 0.002 176.108 176.094 0.019 0.000 1.036 821 V CA -0.253 62.061 62.300 0.024 0.000 0.880 821 V CB 0.699 32.538 31.823 0.027 0.000 0.991 821 V HN 0.996 nan 8.190 nan 0.000 0.460 822 Q N 4.037 123.851 119.800 0.024 0.000 2.337 822 Q HA 0.801 5.141 4.340 -0.001 0.000 0.266 822 Q C -1.425 174.590 176.000 0.024 0.000 1.023 822 Q CA -0.933 54.881 55.803 0.019 0.000 0.829 822 Q CB 2.556 31.301 28.738 0.011 0.000 1.306 822 Q HN 0.380 nan 8.270 nan 0.000 0.449 823 V N 3.110 123.036 119.914 0.020 0.000 2.347 823 V HA 0.205 4.324 4.120 -0.001 0.000 0.280 823 V C -0.009 176.094 176.094 0.014 0.000 1.021 823 V CA -0.606 61.706 62.300 0.020 0.000 0.847 823 V CB 0.669 32.504 31.823 0.020 0.000 0.990 823 V HN 0.981 nan 8.190 nan 0.000 0.444 824 N N 4.154 122.862 118.700 0.013 0.000 2.756 824 N HA -0.195 4.545 4.740 -0.001 0.000 0.248 824 N C 1.092 176.607 175.510 0.008 0.000 1.062 824 N CA 1.747 54.803 53.050 0.010 0.000 0.696 824 N CB -1.069 37.422 38.487 0.007 0.000 0.946 824 N HN 1.408 nan 8.380 nan 0.000 0.548 825 G N -1.203 107.603 108.800 0.010 0.000 2.347 825 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.247 825 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.247 825 G C 0.213 175.116 174.900 0.006 0.000 1.037 825 G CA 0.583 45.687 45.100 0.007 0.000 0.622 825 G HN 0.593 nan 8.290 nan 0.000 0.521 826 R N 0.397 120.901 120.500 0.007 0.000 2.297 826 R HA 0.492 4.831 4.340 -0.001 0.000 0.308 826 R C 0.195 176.499 176.300 0.007 0.000 1.029 826 R CA -0.589 55.515 56.100 0.006 0.000 0.929 826 R CB 1.928 32.232 30.300 0.007 0.000 1.046 826 R HN 0.076 nan 8.270 nan 0.000 0.461 827 V N 5.814 125.731 119.914 0.005 0.000 2.420 827 V HA -0.048 4.072 4.120 -0.001 0.000 0.274 827 V C 1.493 177.591 176.094 0.007 0.000 1.003 827 V CA 0.610 62.913 62.300 0.004 0.000 1.092 827 V CB 0.095 31.918 31.823 0.001 0.000 1.002 827 V HN 0.715 nan 8.190 nan 0.000 0.473 828 R N 3.532 124.038 120.500 0.010 0.000 2.173 828 R HA 0.308 4.647 4.340 -0.001 0.000 0.208 828 R C 0.886 177.192 176.300 0.010 0.000 1.035 828 R CA 0.831 56.938 56.100 0.013 0.000 1.004 828 R CB 0.500 30.811 30.300 0.019 0.000 0.917 828 R HN 0.782 nan 8.270 nan 0.000 0.462 829 G N -0.181 108.621 108.800 0.005 0.000 2.341 829 G HA2 0.242 4.202 3.960 -0.001 0.000 0.299 829 G HA3 0.242 4.202 3.960 -0.001 0.000 0.299 829 G C -1.310 173.579 174.900 -0.019 0.000 1.274 829 G CA -0.118 44.980 45.100 -0.002 0.000 0.853 829 G HN 0.084 nan 8.290 nan 0.000 0.493 830 T N -2.114 112.416 114.554 -0.040 0.000 2.883 830 T HA 0.803 5.152 4.350 -0.001 0.000 0.296 830 T C -0.269 174.346 174.700 -0.141 0.000 1.117 830 T CA -0.111 61.935 62.100 -0.091 0.000 1.006 830 T CB 1.788 70.584 68.868 -0.119 0.000 1.191 830 T HN 1.702 nan 8.240 nan 0.000 0.508 831 I N -1.897 118.544 120.570 -0.215 0.000 3.354 831 I HA 0.652 4.821 4.170 -0.001 0.000 0.316 831 I C -1.375 174.489 176.117 -0.421 0.000 1.182 831 I CA -1.438 59.730 61.300 -0.220 0.000 0.942 831 I CB 2.472 40.440 38.000 -0.054 0.000 1.299 831 I HN 0.671 nan 8.210 nan 0.000 0.473 832 H N 2.816 121.906 119.070 0.034 0.000 2.887 832 H HA 0.643 5.199 4.556 -0.001 0.000 0.300 832 H C -1.181 174.170 175.328 0.039 0.000 1.038 832 H CA -0.310 55.759 56.048 0.035 0.000 1.352 832 H CB 1.545 31.324 29.762 0.029 0.000 1.473 832 H HN 0.620 nan 8.280 nan 0.000 0.503 833 I N -0.190 120.455 120.570 0.125 0.000 2.994 833 I HA 0.533 4.703 4.170 -0.001 0.000 0.306 833 I C -3.035 173.139 176.117 0.096 0.000 1.195 833 I CA -2.848 58.514 61.300 0.103 0.000 1.001 833 I CB 1.870 39.924 38.000 0.091 0.000 1.244 833 I HN 0.061 nan 8.210 nan 0.000 0.437 834 P HA -0.017 nan 4.420 nan 0.000 0.270 834 P C 0.103 177.453 177.300 0.082 0.000 1.216 834 P CA -0.159 62.985 63.100 0.074 0.000 0.788 834 P CB 0.498 32.235 31.700 0.062 0.000 0.883 835 K N 1.140 121.579 120.400 0.065 0.000 2.432 835 K HA -0.102 4.217 4.320 -0.001 0.000 0.196 835 K C 0.096 176.739 176.600 0.071 0.000 1.038 835 K CA 1.280 57.600 56.287 0.055 0.000 0.986 835 K CB -0.019 32.504 32.500 0.037 0.000 0.782 835 K HN 0.343 nan 8.250 nan 0.000 0.485 836 D N 0.178 120.625 120.400 0.079 0.000 2.423 836 D HA 0.079 4.719 4.640 -0.001 0.000 0.208 836 D C 0.011 176.372 176.300 0.102 0.000 1.068 836 D CA 0.061 54.111 54.000 0.084 0.000 0.860 836 D CB 0.254 41.088 40.800 0.056 0.000 0.992 836 D HN 0.133 nan 8.370 nan 0.000 0.504 837 A N 2.516 125.397 122.820 0.103 0.000 2.583 837 A HA 0.125 4.445 4.320 -0.001 0.000 0.249 837 A C -2.169 175.449 177.584 0.057 0.000 1.035 837 A CA -0.253 51.829 52.037 0.076 0.000 0.777 837 A CB -0.370 18.679 19.000 0.082 0.000 0.942 837 A HN -0.040 nan 8.150 nan 0.000 0.516 838 P HA 0.201 nan 4.420 nan 0.000 0.272 838 P C 0.824 177.947 177.300 -0.296 0.000 1.223 838 P CA -0.623 62.419 63.100 -0.097 0.000 0.784 838 P CB 0.435 32.102 31.700 -0.056 0.000 0.923 839 L N 1.587 122.519 121.223 -0.486 0.000 2.085 839 L HA -0.299 4.041 4.340 -0.001 0.000 0.218 839 L C 1.971 178.634 176.870 -0.344 0.000 1.080 839 L CA 2.059 56.506 54.840 -0.655 0.000 0.776 839 L CB -1.889 39.931 42.059 -0.398 0.000 0.891 839 L HN 0.396 nan 8.230 nan 0.000 0.437 840 E N -0.183 119.897 120.200 -0.200 0.000 2.097 840 E HA -0.176 4.174 4.350 -0.001 0.000 0.196 840 E C 2.258 178.798 176.600 -0.100 0.000 1.000 840 E CA 1.527 57.858 56.400 -0.116 0.000 0.804 840 E CB -0.578 29.076 29.700 -0.076 0.000 0.740 840 E HN 0.390 nan 8.360 nan 0.000 0.454 841 V N 0.736 120.586 119.914 -0.107 0.000 2.323 841 V HA -0.176 3.943 4.120 -0.001 0.000 0.244 841 V C 2.221 178.279 176.094 -0.060 0.000 1.041 841 V CA 1.620 63.882 62.300 -0.063 0.000 1.025 841 V CB -0.995 30.806 31.823 -0.037 0.000 0.656 841 V HN 0.345 nan 8.190 nan 0.000 0.451 842 A N 0.522 123.275 122.820 -0.113 0.000 1.858 842 A HA -0.254 4.066 4.320 -0.001 0.000 0.216 842 A C 2.429 179.987 177.584 -0.043 0.000 1.190 842 A CA 2.143 54.149 52.037 -0.052 0.000 0.617 842 A CB -0.664 18.290 19.000 -0.077 0.000 0.827 842 A HN 0.461 nan 8.150 nan 0.000 0.443 843 R N -0.276 120.167 120.500 -0.094 0.000 2.112 843 R HA -0.218 4.122 4.340 -0.001 0.000 0.242 843 R C 2.302 178.590 176.300 -0.020 0.000 1.137 843 R CA 1.929 58.002 56.100 -0.045 0.000 0.944 843 R CB -0.564 29.699 30.300 -0.061 0.000 0.857 843 R HN 0.454 nan 8.270 nan 0.000 0.435 844 A N 1.239 124.040 122.820 -0.031 0.000 1.841 844 A HA -0.204 4.115 4.320 -0.001 0.000 0.216 844 A C 2.049 179.621 177.584 -0.019 0.000 1.199 844 A CA 1.691 53.715 52.037 -0.023 0.000 0.621 844 A CB -0.809 18.176 19.000 -0.025 0.000 0.835 844 A HN 0.438 nan 8.150 nan 0.000 0.445 845 E N -0.265 119.928 120.200 -0.011 0.000 2.171 845 E HA -0.201 4.149 4.350 -0.001 0.000 0.197 845 E C 2.247 178.847 176.600 -0.001 0.000 0.997 845 E CA 1.309 57.709 56.400 0.001 0.000 0.810 845 E CB -0.445 29.266 29.700 0.018 0.000 0.738 845 E HN 0.563 nan 8.360 nan 0.000 0.467 846 A N 0.674 123.496 122.820 0.003 0.000 1.872 846 A HA -0.061 4.259 4.320 -0.001 0.000 0.214 846 A C 2.269 179.854 177.584 0.001 0.000 1.187 846 A CA 0.631 52.674 52.037 0.009 0.000 0.614 846 A CB -0.653 18.363 19.000 0.027 0.000 0.826 846 A HN 0.231 nan 8.150 nan 0.000 0.442 847 L N -0.332 120.888 121.223 -0.005 0.000 2.661 847 L HA -0.153 4.187 4.340 -0.001 0.000 0.236 847 L C 0.685 177.459 176.870 -0.160 0.000 1.176 847 L CA 1.449 56.268 54.840 -0.035 0.000 0.836 847 L CB -0.415 41.630 42.059 -0.024 0.000 0.960 847 L HN 0.557 nan 8.230 nan 0.000 0.455 848 K N -1.084 119.260 120.400 -0.094 0.000 3.309 848 K HA 0.322 4.641 4.320 -0.001 0.000 0.187 848 K C -0.172 176.403 176.600 -0.042 0.000 1.085 848 K CA -0.439 55.789 56.287 -0.099 0.000 0.867 848 K CB 0.235 32.680 32.500 -0.092 0.000 0.846 848 K HN -0.034 nan 8.250 nan 0.000 0.522 849 V N -1.682 118.217 119.914 -0.025 0.000 3.751 849 V HA 0.250 4.370 4.120 -0.001 0.000 0.274 849 V C 1.658 177.753 176.094 0.001 0.000 0.960 849 V CA -0.548 61.750 62.300 -0.003 0.000 0.960 849 V CB 0.428 32.253 31.823 0.004 0.000 1.244 849 V HN 0.430 nan 8.190 nan 0.000 0.417 850 R N 1.128 121.635 120.500 0.011 0.000 2.103 850 R HA -0.168 4.171 4.340 -0.001 0.000 0.234 850 R C 1.973 178.280 176.300 0.011 0.000 1.132 850 R CA 2.515 58.624 56.100 0.014 0.000 0.925 850 R CB -0.673 29.639 30.300 0.020 0.000 0.842 850 R HN 0.996 nan 8.270 nan 0.000 0.430 851 N N -0.036 118.672 118.700 0.014 0.000 2.280 851 N HA 0.036 4.775 4.740 -0.001 0.000 0.192 851 N C -0.118 175.405 175.510 0.022 0.000 1.109 851 N CA 0.193 53.253 53.050 0.017 0.000 0.855 851 N CB 0.660 39.158 38.487 0.019 0.000 0.974 851 N HN -0.121 nan 8.380 nan 0.000 0.482 852 V N 0.823 120.746 119.914 0.015 0.000 5.043 852 V HA -0.319 3.800 4.120 -0.001 0.000 0.267 852 V C 1.698 177.831 176.094 0.065 0.000 0.597 852 V CA 1.312 63.624 62.300 0.021 0.000 0.703 852 V CB -2.249 29.572 31.823 -0.003 0.000 0.558 852 V HN 0.601 nan 8.190 nan 0.000 1.038 853 R N 0.507 121.036 120.500 0.050 0.000 2.115 853 R HA -0.006 4.334 4.340 -0.001 0.000 0.226 853 R C 2.247 178.586 176.300 0.065 0.000 1.100 853 R CA 1.330 57.460 56.100 0.051 0.000 0.980 853 R CB -0.080 30.239 30.300 0.033 0.000 0.875 853 R HN 0.729 nan 8.270 nan 0.000 0.445 854 A N -0.231 122.630 122.820 0.068 0.000 2.076 854 A HA -0.209 4.110 4.320 -0.001 0.000 0.220 854 A C 1.617 179.277 177.584 0.127 0.000 1.160 854 A CA 1.616 53.699 52.037 0.077 0.000 0.653 854 A CB -0.505 18.535 19.000 0.067 0.000 0.801 854 A HN 0.404 nan 8.150 nan 0.000 0.455 855 H N -1.401 117.672 119.070 0.005 0.000 2.337 855 H HA 0.195 4.750 4.556 -0.001 0.000 0.311 855 H C 1.646 176.976 175.328 0.004 0.000 1.054 855 H CA 1.188 57.239 56.048 0.004 0.000 1.385 855 H CB -0.166 29.599 29.762 0.004 0.000 1.437 855 H HN 0.277 nan 8.280 nan 0.000 0.553 856 L N 0.633 121.919 121.223 0.106 0.000 2.187 856 L HA -0.111 4.228 4.340 -0.001 0.000 0.213 856 L C 1.922 178.795 176.870 0.006 0.000 1.100 856 L CA 1.557 56.417 54.840 0.034 0.000 0.765 856 L CB -0.265 41.821 42.059 0.045 0.000 0.904 856 L HN 0.269 nan 8.230 nan 0.000 0.437 857 E N -1.203 119.007 120.200 0.017 0.000 2.190 857 E HA 0.103 4.453 4.350 -0.001 0.000 0.191 857 E C 1.425 178.021 176.600 -0.007 0.000 0.978 857 E CA 0.653 57.057 56.400 0.007 0.000 0.839 857 E CB -0.020 29.690 29.700 0.017 0.000 0.787 857 E HN 0.253 nan 8.360 nan 0.000 0.473 858 G N 0.731 109.525 108.800 -0.011 0.000 3.964 858 G HA2 0.075 4.035 3.960 -0.001 0.000 0.289 858 G HA3 0.075 4.035 3.960 -0.001 0.000 0.289 858 G C 0.028 174.880 174.900 -0.080 0.000 1.176 858 G CA -0.372 44.713 45.100 -0.026 0.000 1.553 858 G HN -0.007 nan 8.290 nan 0.000 0.588 859 K N 0.304 120.656 120.400 -0.081 0.000 2.469 859 K HA 0.182 4.501 4.320 -0.001 0.000 0.201 859 K C 0.462 177.019 176.600 -0.072 0.000 1.028 859 K CA 0.325 56.548 56.287 -0.108 0.000 1.170 859 K CB 0.649 33.095 32.500 -0.089 0.000 0.874 859 K HN 0.400 nan 8.250 nan 0.000 0.507 860 E N -0.907 119.262 120.200 -0.052 0.000 3.902 860 E HA 0.079 4.428 4.350 -0.001 0.000 0.247 860 E C -0.705 175.881 176.600 -0.024 0.000 1.284 860 E CA -0.250 56.130 56.400 -0.034 0.000 1.773 860 E CB 0.702 30.387 29.700 -0.024 0.000 1.684 860 E HN -0.107 nan 8.360 nan 0.000 0.762 861 V N 0.886 120.791 119.914 -0.016 0.000 3.656 861 V HA -0.221 3.899 4.120 -0.001 0.000 0.521 861 V C 0.423 176.515 176.094 -0.004 0.000 0.682 861 V CA 0.775 63.071 62.300 -0.006 0.000 2.078 861 V CB -0.817 31.003 31.823 -0.004 0.000 2.490 861 V HN 0.237 nan 8.190 nan 0.000 0.514 862 V N 2.627 122.542 119.914 0.001 0.000 3.668 862 V HA 0.280 4.399 4.120 -0.001 0.000 0.199 862 V C 0.711 176.808 176.094 0.006 0.000 1.241 862 V CA 1.224 63.525 62.300 0.002 0.000 1.308 862 V CB 0.582 32.406 31.823 0.002 0.000 1.411 862 V HN 0.850 nan 8.190 nan 0.000 0.535 863 K N 1.149 121.555 120.400 0.009 0.000 2.123 863 K HA 0.473 4.793 4.320 -0.001 0.000 0.259 863 K C -0.979 175.634 176.600 0.021 0.000 0.960 863 K CA -0.256 56.039 56.287 0.014 0.000 0.872 863 K CB 1.352 33.860 32.500 0.014 0.000 1.079 863 K HN 0.377 nan 8.250 nan 0.000 0.440 864 E N 4.102 124.319 120.200 0.028 0.000 2.255 864 E HA 0.273 4.623 4.350 -0.001 0.000 0.256 864 E C -0.824 175.816 176.600 0.066 0.000 0.887 864 E CA -0.693 55.733 56.400 0.043 0.000 0.782 864 E CB 1.425 31.147 29.700 0.036 0.000 1.214 864 E HN 0.388 nan 8.360 nan 0.000 0.417 865 I N 2.958 123.571 120.570 0.073 0.000 2.385 865 I HA 0.239 4.408 4.170 -0.001 0.000 0.294 865 I C -0.645 175.561 176.117 0.148 0.000 0.988 865 I CA -0.547 60.803 61.300 0.084 0.000 1.265 865 I CB 0.601 38.628 38.000 0.044 0.000 1.388 865 I HN 0.591 nan 8.210 nan 0.000 0.480 866 Y N 6.072 126.373 120.300 0.002 0.000 2.333 866 Y HA 0.425 4.974 4.550 -0.001 0.000 0.324 866 Y C -1.010 174.891 175.900 0.002 0.000 1.033 866 Y CA -0.747 57.355 58.100 0.002 0.000 1.224 866 Y CB 1.422 39.884 38.460 0.003 0.000 1.120 866 Y HN 0.217 nan 8.280 nan 0.000 0.457 867 V N 10.226 129.847 119.914 -0.487 0.000 2.320 867 V HA 0.200 4.320 4.120 -0.001 0.000 0.265 867 V C -1.669 174.005 176.094 -0.700 0.000 1.048 867 V CA -1.547 60.501 62.300 -0.421 0.000 0.865 867 V CB 1.125 32.814 31.823 -0.224 0.000 1.043 867 V HN 0.733 nan 8.190 nan 0.000 0.474 868 P HA -0.221 nan 4.420 nan 0.000 0.219 868 P C 1.610 178.767 177.300 -0.238 0.000 1.149 868 P CA 1.791 64.645 63.100 -0.411 0.000 0.835 868 P CB 0.260 31.916 31.700 -0.072 0.000 0.778 869 G N -0.195 108.485 108.800 -0.199 0.000 2.736 869 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.214 869 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.214 869 G C 0.887 175.717 174.900 -0.117 0.000 1.327 869 G CA 0.914 45.945 45.100 -0.115 0.000 0.818 869 G HN 0.259 nan 8.290 nan 0.000 0.611 870 K N -1.027 119.292 120.400 -0.135 0.000 2.788 870 K HA 0.383 4.702 4.320 -0.001 0.000 0.190 870 K C -1.345 175.190 176.600 -0.110 0.000 1.143 870 K CA -0.287 55.939 56.287 -0.101 0.000 1.099 870 K CB 1.020 33.487 32.500 -0.055 0.000 0.767 870 K HN 0.155 nan 8.250 nan 0.000 0.466 871 I N 1.189 121.650 120.570 -0.182 0.000 2.730 871 I HA 0.407 4.577 4.170 -0.001 0.000 0.298 871 I C -1.764 174.284 176.117 -0.116 0.000 1.089 871 I CA -1.012 60.215 61.300 -0.122 0.000 1.041 871 I CB 2.215 40.159 38.000 -0.094 0.000 1.235 871 I HN -0.006 nan 8.210 nan 0.000 0.423 872 L N 6.552 127.791 121.223 0.027 0.000 2.568 872 L HA 0.568 4.907 4.340 -0.001 0.000 0.262 872 L C -1.626 175.299 176.870 0.092 0.000 0.980 872 L CA -0.160 54.777 54.840 0.161 0.000 0.882 872 L CB 0.985 43.193 42.059 0.248 0.000 1.198 872 L HN 0.542 nan 8.230 nan 0.000 0.425 873 N N 4.687 123.433 118.700 0.078 0.000 2.419 873 N HA 0.490 5.230 4.740 -0.001 0.000 0.277 873 N C -1.344 174.197 175.510 0.051 0.000 1.006 873 N CA -0.286 52.794 53.050 0.049 0.000 0.923 873 N CB 1.356 39.862 38.487 0.031 0.000 1.140 873 N HN 0.660 nan 8.380 nan 0.000 0.488 874 L N 3.776 125.024 121.223 0.041 0.000 2.314 874 L HA 0.352 4.691 4.340 -0.001 0.000 0.275 874 L C -0.321 176.563 176.870 0.022 0.000 1.068 874 L CA -1.006 53.854 54.840 0.033 0.000 0.894 874 L CB 0.880 42.959 42.059 0.034 0.000 1.275 874 L HN 0.240 nan 8.230 nan 0.000 0.432 875 V N 3.843 123.769 119.914 0.020 0.000 2.390 875 V HA 0.026 4.145 4.120 -0.001 0.000 0.260 875 V C 1.056 177.154 176.094 0.008 0.000 1.043 875 V CA -0.333 61.975 62.300 0.013 0.000 1.047 875 V CB 0.367 32.197 31.823 0.013 0.000 1.066 875 V HN 0.387 nan 8.190 nan 0.000 0.481 876 V N 0.000 119.917 119.914 0.005 0.000 2.409 876 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 876 V CA 0.000 62.299 62.300 -0.001 0.000 1.235 876 V CB 0.000 31.821 31.823 -0.003 0.000 1.184 876 V HN 0.000 nan 8.190 nan 0.000 0.556