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 1q9y_1_A DATA FIRST_RESID 1 DATA SEQUENCE HGSMKEFYLT VEQIGDSIFE RYIDSNGRER TREVEYKPSL FAHCPESQAT DATA SEQUENCE KYFDIYGKPC TRKLFANMRD ASQWIKRMED IGLEALGMDD FKLAYLSDTY DATA SEQUENCE NYEIKYDHTK IRVANFDIEV TSPDGFPEPS QAKHPIDAIT HYDSIDDRFY DATA SEQUENCE VFDLLNSPYG NVEEWSIEIA AKLQEQGGDE VPSEIIDKII YMPFDNEKEL DATA SEQUENCE LMEYLNFWQQ KTPVILTGWN VESFAIPYVY NRIKNIFGES TAKRLSPHRK DATA SEQUENCE TRVKVIENMY GSREIITLFG ISVLDYIDLY KKFSFTNQPS YSLDYISEFE DATA SEQUENCE LNVGKLKYDG PISKLRESNH QRYISYNIIA VYRVLQIDAK RQFINLSLDM DATA SEQUENCE GYYAKIQIQS VFSPIKTWDA IIFNSLKEQN KVIPQGRSHP VQPYPGAFVK DATA SEQUENCE EPIPNRYKYV MSFDLTSLYP SIIRQVNISP ETIAGTFKVA PLHDYINAVA DATA SEQUENCE ERPSDVYSCS PNGMMYYKDR DGVVPTEITK VFNQRKEHKG YMLAAQRNGE DATA SEQUENCE IIKEALHNPN LSVDEPLDVD YRFDFSDEIK EKIKKLSAKS LNEMLFRAQR DATA SEQUENCE TEVAGMTAQI NRKLLINSLY GALGNVWFRY YDLRNATAIT TFGQMALQWI DATA SEQUENCE ERKVNEYLNE VCGTEGEAFV LYGDTDSIYV SADKIIDKVG ESKFRDTNHW DATA SEQUENCE VDFLDKFARE RMEPAIDRGF REMCEYMNNK QHLMFMDREA IAGPPLGSKG DATA SEQUENCE IGGFWTGKKR YALNVWDMEG TRYAEPKLKI MGLETQKSST PKAVQKALKE DATA SEQUENCE CIRRMLQEGE ESLQEYFKEF EKEFRQLNYI SIASVSSANN IAKYDVGGFP DATA SEQUENCE GPKCPFHIRG ILTYNRAIKG NIDAPQVVEG EKVYVLPLRE GNPFGDKCIA DATA SEQUENCE WPSGTEITDL IKDDVLHWMD YTVLLEKTFI KPLEGFTSAA KLDYEKKASL DATA SEQUENCE FD 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 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.329 175.328 0.001 0.000 0.993 1 H CA 0.000 56.050 56.048 0.003 0.000 1.023 1 H CB 0.000 29.765 29.762 0.006 0.000 1.292 2 G N 2.116 110.967 108.800 0.084 0.000 2.977 2 G HA2 0.530 4.493 3.960 0.006 0.000 0.306 2 G HA3 0.530 4.493 3.960 0.006 0.000 0.306 2 G C -0.400 174.497 174.900 -0.005 0.000 0.885 2 G CA 0.338 45.430 45.100 -0.012 0.000 1.649 2 G HN 0.447 nan 8.290 nan 0.000 0.514 3 S N 0.106 115.746 115.700 -0.101 0.000 2.930 3 S HA 0.489 4.963 4.470 0.006 0.000 0.306 3 S C -0.145 174.421 174.600 -0.058 0.000 1.238 3 S CA -0.799 57.395 58.200 -0.010 0.000 1.000 3 S CB 0.367 63.681 63.200 0.190 0.000 1.342 3 S HN 0.645 nan 8.310 nan 0.000 0.575 4 M N 1.743 121.379 119.600 0.059 0.000 2.228 4 M HA 0.494 4.978 4.480 0.006 0.000 0.326 4 M C -0.385 175.954 176.300 0.065 0.000 1.122 4 M CA -0.260 55.075 55.300 0.059 0.000 1.161 4 M CB -0.060 32.602 32.600 0.103 0.000 1.437 4 M HN 0.322 nan 8.290 nan 0.000 0.465 5 K N 0.779 121.220 120.400 0.068 0.000 2.098 5 K HA 0.404 4.728 4.320 0.006 0.000 0.261 5 K C -0.697 176.072 176.600 0.281 0.000 0.987 5 K CA -0.772 55.562 56.287 0.078 0.000 0.916 5 K CB 0.915 33.343 32.500 -0.119 0.000 1.039 5 K HN 0.643 nan 8.250 nan 0.000 0.455 6 E N 1.300 121.707 120.200 0.345 0.000 2.392 6 E HA 0.197 4.550 4.350 0.006 0.000 0.259 6 E C -0.520 176.467 176.600 0.645 0.000 1.108 6 E CA -0.286 56.382 56.400 0.446 0.000 0.916 6 E CB 0.239 30.207 29.700 0.447 0.000 0.989 6 E HN 0.522 nan 8.360 nan 0.000 0.432 7 F N -0.804 119.346 119.950 0.334 0.000 2.615 7 F HA 0.347 4.878 4.527 0.006 0.000 0.312 7 F C -0.835 174.927 175.800 -0.064 0.000 1.119 7 F CA -1.552 56.435 58.000 -0.022 0.000 0.979 7 F CB 0.480 39.333 39.000 -0.245 0.000 1.266 7 F HN 0.466 nan 8.300 nan 0.000 0.444 8 Y N 2.703 122.796 120.300 -0.346 0.000 2.385 8 Y HA 0.537 5.090 4.550 0.006 0.000 0.346 8 Y C -0.372 175.648 175.900 0.199 0.000 1.270 8 Y CA -0.661 57.413 58.100 -0.043 0.000 1.472 8 Y CB 0.186 38.572 38.460 -0.123 0.000 1.354 8 Y HN 0.644 nan 8.280 nan 0.000 0.611 9 L N 0.670 122.098 121.223 0.342 0.000 2.777 9 L HA 0.274 4.617 4.340 0.006 0.000 0.172 9 L C 0.843 177.920 176.870 0.345 0.000 1.179 9 L CA 1.466 56.464 54.840 0.262 0.000 0.859 9 L CB -0.794 41.355 42.059 0.150 0.000 1.269 9 L HN 1.020 nan 8.230 nan 0.000 0.511 10 T N -2.768 111.987 114.554 0.335 0.000 2.864 10 T HA 0.724 5.077 4.350 0.006 0.000 0.289 10 T C -1.005 173.866 174.700 0.286 0.000 1.082 10 T CA -0.722 61.549 62.100 0.284 0.000 1.009 10 T CB 2.253 71.238 68.868 0.195 0.000 1.234 10 T HN -0.064 nan 8.240 nan 0.000 0.526 11 V N 0.385 120.414 119.914 0.193 0.000 2.950 11 V HA 0.653 4.776 4.120 0.006 0.000 0.295 11 V C -1.964 174.178 176.094 0.079 0.000 1.297 11 V CA -0.465 61.918 62.300 0.139 0.000 0.962 11 V CB 1.965 33.838 31.823 0.082 0.000 1.081 11 V HN 1.111 nan 8.190 nan 0.000 0.432 12 E N 3.625 123.875 120.200 0.084 0.000 2.429 12 E HA 0.395 4.748 4.350 0.006 0.000 0.276 12 E C -1.587 175.088 176.600 0.124 0.000 0.953 12 E CA -0.713 55.728 56.400 0.069 0.000 0.787 12 E CB 2.556 32.335 29.700 0.131 0.000 1.307 12 E HN 0.726 nan 8.360 nan 0.000 0.458 13 Q N 1.644 121.548 119.800 0.173 0.000 2.357 13 Q HA 0.476 4.819 4.340 0.006 0.000 0.266 13 Q C -1.360 174.799 176.000 0.266 0.000 1.021 13 Q CA -0.500 55.426 55.803 0.205 0.000 0.784 13 Q CB 0.542 29.391 28.738 0.185 0.000 1.243 13 Q HN 0.385 nan 8.270 nan 0.000 0.465 14 I N 4.640 125.345 120.570 0.226 0.000 2.355 14 I HA 0.463 4.637 4.170 0.006 0.000 0.288 14 I C 0.969 177.158 176.117 0.121 0.000 0.999 14 I CA 0.046 61.415 61.300 0.115 0.000 1.163 14 I CB 1.482 39.461 38.000 -0.034 0.000 1.316 14 I HN 0.937 nan 8.210 nan 0.000 0.454 15 G N 5.381 114.229 108.800 0.080 0.000 2.672 15 G HA2 -0.302 3.662 3.960 0.006 0.000 0.324 15 G HA3 -0.302 3.662 3.960 0.006 0.000 0.324 15 G C 0.256 175.198 174.900 0.070 0.000 1.286 15 G CA 0.486 45.625 45.100 0.064 0.000 1.004 15 G HN 0.597 nan 8.290 nan 0.000 0.548 16 D N 1.780 122.207 120.400 0.046 0.000 2.894 16 D HA 0.464 5.108 4.640 0.006 0.000 0.248 16 D C 0.559 176.864 176.300 0.009 0.000 1.291 16 D CA 0.927 54.934 54.000 0.012 0.000 0.840 16 D CB -0.008 40.785 40.800 -0.011 0.000 1.044 16 D HN 0.836 nan 8.370 nan 0.000 0.484 17 S N -0.967 114.760 115.700 0.045 0.000 2.537 17 S HA 0.554 5.027 4.470 0.006 0.000 0.270 17 S C -0.745 173.871 174.600 0.026 0.000 1.142 17 S CA -0.909 57.287 58.200 -0.007 0.000 0.870 17 S CB 1.718 64.898 63.200 -0.033 0.000 1.112 17 S HN 0.039 nan 8.310 nan 0.000 0.466 18 I N 2.295 122.774 120.570 -0.152 0.000 2.354 18 I HA 0.432 4.606 4.170 0.006 0.000 0.292 18 I C -1.253 174.697 176.117 -0.279 0.000 0.989 18 I CA -0.764 60.417 61.300 -0.199 0.000 1.188 18 I CB 1.129 38.819 38.000 -0.516 0.000 1.342 18 I HN 0.648 nan 8.210 nan 0.000 0.457 19 F N 5.534 125.338 119.950 -0.245 0.000 2.388 19 F HA 0.355 4.886 4.527 0.006 0.000 0.358 19 F C 0.383 176.106 175.800 -0.128 0.000 1.122 19 F CA -0.413 57.393 58.000 -0.323 0.000 1.056 19 F CB 1.107 39.620 39.000 -0.812 0.000 1.155 19 F HN 0.401 nan 8.300 nan 0.000 0.461 20 E N 4.687 124.955 120.200 0.113 0.000 2.222 20 E HA 0.489 4.843 4.350 0.006 0.000 0.267 20 E C -1.040 175.801 176.600 0.401 0.000 0.884 20 E CA -0.941 55.617 56.400 0.263 0.000 0.764 20 E CB 1.298 31.149 29.700 0.252 0.000 1.169 20 E HN 0.609 nan 8.360 nan 0.000 0.413 21 R N 3.218 123.968 120.500 0.417 0.000 2.387 21 R HA 0.382 4.726 4.340 0.006 0.000 0.314 21 R C -1.082 175.456 176.300 0.397 0.000 0.958 21 R CA -0.607 55.708 56.100 0.358 0.000 0.846 21 R CB 0.971 31.410 30.300 0.231 0.000 1.147 21 R HN 0.444 nan 8.270 nan 0.000 0.447 22 Y N -0.118 120.240 120.300 0.096 0.000 2.677 22 Y HA 0.600 5.153 4.550 0.006 0.000 0.334 22 Y C -1.122 174.702 175.900 -0.126 0.000 1.154 22 Y CA -1.806 56.305 58.100 0.019 0.000 1.070 22 Y CB 1.059 39.617 38.460 0.163 0.000 1.294 22 Y HN 0.184 nan 8.280 nan 0.000 0.475 23 I N 3.476 123.843 120.570 -0.338 0.000 2.355 23 I HA 0.205 4.378 4.170 0.006 0.000 0.288 23 I C -0.350 175.661 176.117 -0.177 0.000 0.999 23 I CA -0.682 60.343 61.300 -0.459 0.000 1.163 23 I CB 0.601 38.106 38.000 -0.826 0.000 1.316 23 I HN 0.888 nan 8.210 nan 0.000 0.454 24 D N 4.212 124.524 120.400 -0.147 0.000 2.398 24 D HA 0.091 4.735 4.640 0.006 0.000 0.264 24 D C 1.076 177.450 176.300 0.123 0.000 1.263 24 D CA -0.282 53.768 54.000 0.085 0.000 1.037 24 D CB 0.396 41.222 40.800 0.043 0.000 1.101 24 D HN 0.400 nan 8.370 nan 0.000 0.551 25 S N -1.304 114.500 115.700 0.173 0.000 2.453 25 S HA -0.105 4.368 4.470 0.006 0.000 0.231 25 S C 0.966 175.726 174.600 0.268 0.000 1.005 25 S CA 0.277 58.612 58.200 0.225 0.000 0.949 25 S CB -0.549 62.789 63.200 0.230 0.000 0.774 25 S HN 0.525 nan 8.310 nan 0.000 0.510 26 N N 1.413 120.195 118.700 0.137 0.000 2.295 26 N HA 0.210 4.953 4.740 0.006 0.000 0.221 26 N C 0.987 176.499 175.510 0.003 0.000 1.129 26 N CA 0.573 53.628 53.050 0.008 0.000 0.836 26 N CB 0.513 38.955 38.487 -0.074 0.000 1.040 26 N HN 0.615 nan 8.380 nan 0.000 0.494 27 G N 1.721 110.541 108.800 0.034 0.000 2.166 27 G HA2 -0.331 3.633 3.960 0.006 0.000 0.260 27 G HA3 -0.331 3.633 3.960 0.006 0.000 0.260 27 G C 0.221 175.095 174.900 -0.043 0.000 0.986 27 G CA 0.167 45.276 45.100 0.016 0.000 0.683 27 G HN 0.438 nan 8.290 nan 0.000 0.527 28 R N 0.609 121.063 120.500 -0.077 0.000 2.457 28 R HA 0.457 4.800 4.340 0.006 0.000 0.284 28 R C 0.127 176.316 176.300 -0.185 0.000 1.024 28 R CA -0.571 55.464 56.100 -0.108 0.000 1.025 28 R CB 0.546 30.791 30.300 -0.093 0.000 1.063 28 R HN 0.355 nan 8.270 nan 0.000 0.493 29 E N 3.157 123.254 120.200 -0.171 0.000 2.338 29 E HA 0.111 4.464 4.350 0.006 0.000 0.272 29 E C -0.653 175.803 176.600 -0.240 0.000 1.029 29 E CA -0.255 56.017 56.400 -0.214 0.000 0.872 29 E CB 0.642 30.256 29.700 -0.144 0.000 1.015 29 E HN 0.392 nan 8.360 nan 0.000 0.417 30 R N 2.133 122.425 120.500 -0.347 0.000 2.855 30 R HA 0.514 4.858 4.340 0.006 0.000 0.266 30 R C -0.974 175.284 176.300 -0.070 0.000 1.034 30 R CA -0.829 55.093 56.100 -0.297 0.000 0.944 30 R CB 1.752 31.707 30.300 -0.575 0.000 1.219 30 R HN 0.435 nan 8.270 nan 0.000 0.474 31 T N 1.906 116.516 114.554 0.093 0.000 2.886 31 T HA 0.524 4.878 4.350 0.006 0.000 0.292 31 T C -0.459 174.399 174.700 0.263 0.000 1.012 31 T CA -0.915 61.336 62.100 0.251 0.000 0.982 31 T CB 1.977 70.999 68.868 0.257 0.000 1.018 31 T HN 0.548 nan 8.240 nan 0.000 0.451 32 R N 1.356 122.015 120.500 0.265 0.000 2.854 32 R HA 0.743 5.086 4.340 0.006 0.000 0.271 32 R C -1.001 175.214 176.300 -0.141 0.000 0.996 32 R CA -1.056 55.094 56.100 0.083 0.000 0.961 32 R CB 2.071 32.424 30.300 0.088 0.000 1.182 32 R HN 0.594 nan 8.270 nan 0.000 0.479 33 E N 1.700 121.724 120.200 -0.292 0.000 2.183 33 E HA 0.427 4.780 4.350 0.006 0.000 0.271 33 E C -1.483 174.911 176.600 -0.343 0.000 0.919 33 E CA -0.980 55.056 56.400 -0.607 0.000 0.781 33 E CB 2.062 31.316 29.700 -0.743 0.000 1.140 33 E HN 0.399 nan 8.360 nan 0.000 0.402 34 V N 4.079 123.789 119.914 -0.340 0.000 2.569 34 V HA 0.156 4.279 4.120 0.006 0.000 0.301 34 V C -1.070 174.938 176.094 -0.143 0.000 1.044 34 V CA -0.913 61.274 62.300 -0.187 0.000 0.874 34 V CB 1.813 33.538 31.823 -0.162 0.000 1.002 34 V HN 0.762 nan 8.190 nan 0.000 0.424 35 E N 3.946 124.098 120.200 -0.080 0.000 1.775 35 E HA 0.142 4.496 4.350 0.006 0.000 0.266 35 E C -0.553 176.045 176.600 -0.003 0.000 1.191 35 E CA -0.195 56.175 56.400 -0.049 0.000 1.048 35 E CB -0.076 29.593 29.700 -0.052 0.000 1.081 35 E HN 0.550 nan 8.360 nan 0.000 0.434 36 Y N 2.449 122.675 120.300 -0.123 0.000 2.610 36 Y HA -0.008 4.546 4.550 0.006 0.000 0.332 36 Y C -0.041 175.798 175.900 -0.101 0.000 1.201 36 Y CA -0.326 57.727 58.100 -0.079 0.000 1.465 36 Y CB 0.558 38.975 38.460 -0.072 0.000 1.283 36 Y HN 0.146 nan 8.280 nan 0.000 0.563 37 K N 9.108 129.184 120.400 -0.540 0.000 2.347 37 K HA 0.305 4.629 4.320 0.006 0.000 0.262 37 K C -2.544 173.499 176.600 -0.928 0.000 1.052 37 K CA -1.764 54.187 56.287 -0.561 0.000 0.946 37 K CB 0.899 33.222 32.500 -0.295 0.000 1.220 37 K HN 0.493 nan 8.250 nan 0.000 0.450 38 P HA 0.233 nan 4.420 nan 0.000 0.280 38 P C -0.803 176.335 177.300 -0.271 0.000 1.272 38 P CA -0.704 62.016 63.100 -0.635 0.000 0.819 38 P CB 1.185 32.510 31.700 -0.624 0.000 1.122 39 S N 0.016 115.619 115.700 -0.162 0.000 2.647 39 S HA 0.540 5.014 4.470 0.006 0.000 0.300 39 S C -0.161 174.283 174.600 -0.260 0.000 1.129 39 S CA -0.516 57.501 58.200 -0.306 0.000 1.029 39 S CB 0.494 63.407 63.200 -0.478 0.000 1.007 39 S HN 0.261 nan 8.310 nan 0.000 0.484 40 L N 2.227 123.322 121.223 -0.214 0.000 2.298 40 L HA 0.769 5.113 4.340 0.006 0.000 0.268 40 L C -1.143 175.451 176.870 -0.459 0.000 1.010 40 L CA -0.906 53.882 54.840 -0.086 0.000 0.812 40 L CB 0.934 43.124 42.059 0.218 0.000 1.331 40 L HN 0.506 nan 8.230 nan 0.000 0.450 41 F N -0.465 119.493 119.950 0.012 0.000 2.631 41 F HA 0.857 5.388 4.527 0.006 0.000 0.328 41 F C 0.049 175.921 175.800 0.121 0.000 1.067 41 F CA -0.899 57.080 58.000 -0.035 0.000 0.969 41 F CB 1.706 40.661 39.000 -0.076 0.000 1.332 41 F HN 0.393 nan 8.300 nan 0.000 0.490 42 A N -0.823 122.168 122.820 0.284 0.000 2.556 42 A HA 0.648 4.972 4.320 0.006 0.000 0.294 42 A C -1.476 176.197 177.584 0.150 0.000 1.091 42 A CA -0.739 51.429 52.037 0.217 0.000 0.704 42 A CB 0.577 19.779 19.000 0.336 0.000 1.300 42 A HN 0.883 nan 8.150 nan 0.000 0.406 43 H N -0.791 118.385 119.070 0.176 0.000 2.852 43 H HA 0.372 4.931 4.556 0.006 0.000 0.362 43 H C 0.564 175.958 175.328 0.110 0.000 1.122 43 H CA 1.082 57.208 56.048 0.130 0.000 1.419 43 H CB 0.501 30.328 29.762 0.110 0.000 1.401 43 H HN 0.954 nan 8.280 nan 0.000 0.609 44 C N 0.989 120.425 119.300 0.226 0.000 3.285 44 C HA 0.555 5.019 4.460 0.006 0.000 0.320 44 C C -2.483 172.568 174.990 0.102 0.000 1.411 44 C CA -2.166 56.935 59.018 0.138 0.000 1.429 44 C CB 0.880 28.681 27.740 0.101 0.000 1.812 44 C HN 0.572 nan 8.230 nan 0.000 0.454 45 P HA 0.210 nan 4.420 nan 0.000 0.269 45 P C 0.340 177.677 177.300 0.060 0.000 1.217 45 P CA 0.317 63.451 63.100 0.057 0.000 0.783 45 P CB 0.452 32.179 31.700 0.046 0.000 0.898 46 E N 0.253 120.488 120.200 0.057 0.000 2.219 46 E HA -0.210 4.144 4.350 0.006 0.000 0.198 46 E C 1.833 178.476 176.600 0.072 0.000 0.998 46 E CA 1.921 58.364 56.400 0.072 0.000 0.818 46 E CB -0.603 29.132 29.700 0.059 0.000 0.741 46 E HN 0.556 nan 8.360 nan 0.000 0.477 47 S N 0.161 115.894 115.700 0.054 0.000 2.388 47 S HA -0.137 4.336 4.470 0.006 0.000 0.223 47 S C 1.617 176.242 174.600 0.041 0.000 1.034 47 S CA 0.180 58.407 58.200 0.046 0.000 0.963 47 S CB -0.169 63.052 63.200 0.036 0.000 0.827 47 S HN 0.179 nan 8.310 nan 0.000 0.481 48 Q N 2.071 121.894 119.800 0.037 0.000 2.634 48 Q HA 0.375 4.719 4.340 0.006 0.000 0.222 48 Q C 0.179 176.187 176.000 0.013 0.000 1.004 48 Q CA -0.314 55.505 55.803 0.027 0.000 0.965 48 Q CB -0.749 28.007 28.738 0.031 0.000 1.586 48 Q HN 0.703 nan 8.270 nan 0.000 0.409 49 A N 0.632 123.463 122.820 0.019 0.000 2.366 49 A HA 0.510 4.834 4.320 0.006 0.000 0.249 49 A C 0.564 178.126 177.584 -0.037 0.000 1.084 49 A CA 0.496 52.537 52.037 0.007 0.000 0.794 49 A CB 0.556 19.603 19.000 0.078 0.000 1.034 49 A HN 0.652 nan 8.150 nan 0.000 0.491 50 T N -1.752 112.731 114.554 -0.118 0.000 2.641 50 T HA 0.287 4.640 4.350 0.006 0.000 0.268 50 T C 0.789 175.344 174.700 -0.242 0.000 1.567 50 T CA 0.051 62.063 62.100 -0.146 0.000 1.026 50 T CB 0.257 69.056 68.868 -0.115 0.000 2.004 50 T HN 0.392 nan 8.240 nan 0.000 0.423 51 K N -0.413 119.742 120.400 -0.408 0.000 2.099 51 K HA 0.247 4.571 4.320 0.006 0.000 0.203 51 K C -0.267 176.038 176.600 -0.491 0.000 1.047 51 K CA 0.602 56.586 56.287 -0.506 0.000 0.963 51 K CB -0.081 31.803 32.500 -1.027 0.000 0.759 51 K HN 0.479 nan 8.250 nan 0.000 0.451 52 Y N 0.558 120.718 120.300 -0.234 0.000 2.404 52 Y HA 0.228 4.782 4.550 0.006 0.000 0.344 52 Y C -0.397 175.207 175.900 -0.493 0.000 0.995 52 Y CA -0.818 57.149 58.100 -0.223 0.000 1.201 52 Y CB 0.289 38.689 38.460 -0.100 0.000 1.151 52 Y HN -0.157 nan 8.280 nan 0.000 0.517 53 F N 2.387 122.398 119.950 0.102 0.000 2.507 53 F HA 0.252 4.783 4.527 0.006 0.000 0.325 53 F C 0.174 176.008 175.800 0.058 0.000 1.116 53 F CA -1.616 56.436 58.000 0.088 0.000 0.930 53 F CB 1.096 40.127 39.000 0.053 0.000 1.146 53 F HN 0.516 nan 8.300 nan 0.000 0.447 54 D N 2.231 122.780 120.400 0.249 0.000 2.341 54 D HA -0.104 4.540 4.640 0.006 0.000 0.235 54 D C 1.318 177.679 176.300 0.101 0.000 1.265 54 D CA -0.078 54.028 54.000 0.177 0.000 0.888 54 D CB 0.499 41.472 40.800 0.288 0.000 1.192 54 D HN 0.649 nan 8.370 nan 0.000 0.462 55 I N -2.938 117.585 120.570 -0.079 0.000 2.850 55 I HA -0.163 4.011 4.170 0.006 0.000 0.266 55 I C 0.744 176.632 176.117 -0.382 0.000 1.257 55 I CA 0.791 61.935 61.300 -0.261 0.000 1.465 55 I CB -0.738 37.036 38.000 -0.377 0.000 1.091 55 I HN 0.262 nan 8.210 nan 0.000 0.467 56 Y N 1.834 122.197 120.300 0.105 0.000 2.493 56 Y HA 0.483 5.036 4.550 0.006 0.000 0.275 56 Y C 1.892 177.825 175.900 0.055 0.000 1.183 56 Y CA 0.040 58.184 58.100 0.072 0.000 1.258 56 Y CB 0.252 38.757 38.460 0.076 0.000 1.108 56 Y HN 0.314 nan 8.280 nan 0.000 0.521 57 G N 0.549 109.446 108.800 0.161 0.000 2.162 57 G HA2 -0.295 3.669 3.960 0.006 0.000 0.260 57 G HA3 -0.295 3.669 3.960 0.006 0.000 0.260 57 G C 0.264 175.329 174.900 0.275 0.000 0.976 57 G CA -0.265 44.907 45.100 0.120 0.000 0.655 57 G HN 0.283 nan 8.290 nan 0.000 0.533 58 K N 1.758 122.343 120.400 0.309 0.000 2.312 58 K HA 0.294 4.618 4.320 0.006 0.000 0.287 58 K C -1.944 174.867 176.600 0.351 0.000 1.062 58 K CA -1.559 54.883 56.287 0.259 0.000 0.934 58 K CB 1.411 33.975 32.500 0.106 0.000 1.027 58 K HN 0.171 nan 8.250 nan 0.000 0.478 59 P HA -0.003 nan 4.420 nan 0.000 0.269 59 P C -0.396 176.976 177.300 0.120 0.000 1.217 59 P CA -0.266 62.882 63.100 0.080 0.000 0.783 59 P CB 0.661 32.391 31.700 0.051 0.000 0.898 60 C N -0.078 119.232 119.300 0.016 0.000 3.171 60 C HA 0.677 5.140 4.460 0.006 0.000 0.308 60 C C 0.084 175.174 174.990 0.168 0.000 1.334 60 C CA -0.237 58.869 59.018 0.147 0.000 1.473 60 C CB 2.013 29.849 27.740 0.160 0.000 1.866 60 C HN 0.674 nan 8.230 nan 0.000 0.465 61 T N 0.816 115.487 114.554 0.194 0.000 2.841 61 T HA 0.530 4.883 4.350 0.006 0.000 0.285 61 T C -0.630 174.104 174.700 0.056 0.000 0.991 61 T CA -0.429 61.758 62.100 0.145 0.000 0.966 61 T CB 0.778 69.687 68.868 0.068 0.000 0.962 61 T HN 0.822 nan 8.240 nan 0.000 0.438 62 R N 3.420 123.873 120.500 -0.077 0.000 2.490 62 R HA 0.415 4.758 4.340 0.006 0.000 0.280 62 R C -0.540 175.429 176.300 -0.553 0.000 1.077 62 R CA -0.423 55.331 56.100 -0.577 0.000 1.065 62 R CB 0.445 30.348 30.300 -0.662 0.000 1.003 62 R HN 0.600 nan 8.270 nan 0.000 0.470 63 K N 6.134 126.069 120.400 -0.775 0.000 2.394 63 K HA 0.177 4.500 4.320 0.006 0.000 0.260 63 K C -0.376 175.625 176.600 -0.999 0.000 0.967 63 K CA -0.776 54.983 56.287 -0.881 0.000 0.855 63 K CB 1.613 33.404 32.500 -1.180 0.000 1.101 63 K HN 0.570 nan 8.250 nan 0.000 0.433 64 L N 1.773 122.529 121.223 -0.779 0.000 2.578 64 L HA 0.191 4.534 4.340 0.006 0.000 0.279 64 L C -1.250 175.051 176.870 -0.947 0.000 1.227 64 L CA 0.511 54.968 54.840 -0.639 0.000 0.900 64 L CB -0.047 41.751 42.059 -0.435 0.000 1.144 64 L HN 0.377 nan 8.230 nan 0.000 0.496 65 F N 2.777 122.513 119.950 -0.358 0.000 2.532 65 F HA 0.603 5.134 4.527 0.006 0.000 0.321 65 F C 1.108 176.745 175.800 -0.272 0.000 1.089 65 F CA -0.268 57.540 58.000 -0.320 0.000 0.926 65 F CB 2.002 40.790 39.000 -0.353 0.000 1.168 65 F HN 0.692 nan 8.300 nan 0.000 0.459 66 A N 2.382 125.199 122.820 -0.006 0.000 1.968 66 A HA 0.047 4.370 4.320 0.006 0.000 0.217 66 A C 0.235 177.769 177.584 -0.083 0.000 1.169 66 A CA 1.694 53.694 52.037 -0.062 0.000 0.638 66 A CB -0.731 18.245 19.000 -0.040 0.000 0.812 66 A HN 0.911 nan 8.150 nan 0.000 0.446 67 N N -4.513 114.136 118.700 -0.085 0.000 3.378 67 N HA 0.400 5.143 4.740 0.006 0.000 0.294 67 N C 0.056 175.432 175.510 -0.222 0.000 1.544 67 N CA -0.497 52.470 53.050 -0.139 0.000 0.872 67 N CB 0.247 38.684 38.487 -0.084 0.000 1.670 67 N HN -0.089 nan 8.380 nan 0.000 0.551 68 M N -1.191 118.263 119.600 -0.244 0.000 2.325 68 M HA 0.149 4.632 4.480 0.006 0.000 0.265 68 M C 1.955 178.156 176.300 -0.165 0.000 1.094 68 M CA 0.858 55.924 55.300 -0.390 0.000 1.161 68 M CB -0.202 32.232 32.600 -0.277 0.000 1.358 68 M HN 0.612 nan 8.290 nan 0.000 0.446 69 R N 1.181 121.646 120.500 -0.059 0.000 2.105 69 R HA -0.164 4.179 4.340 0.006 0.000 0.239 69 R C 1.265 177.539 176.300 -0.043 0.000 1.135 69 R CA 1.907 58.000 56.100 -0.011 0.000 0.967 69 R CB -0.640 29.662 30.300 0.004 0.000 0.861 69 R HN 0.216 nan 8.270 nan 0.000 0.442 70 D N -0.509 119.847 120.400 -0.073 0.000 2.144 70 D HA -0.032 4.611 4.640 0.006 0.000 0.200 70 D C 1.414 177.597 176.300 -0.194 0.000 0.978 70 D CA 1.616 55.590 54.000 -0.043 0.000 0.833 70 D CB -0.114 40.703 40.800 0.029 0.000 0.961 70 D HN 0.404 nan 8.370 nan 0.000 0.470 71 A N -0.591 121.923 122.820 -0.511 0.000 2.123 71 A HA 0.040 4.363 4.320 0.006 0.000 0.214 71 A C 2.238 179.615 177.584 -0.346 0.000 1.152 71 A CA 0.784 52.124 52.037 -1.161 0.000 0.728 71 A CB 0.019 18.242 19.000 -1.295 0.000 0.814 71 A HN 0.069 nan 8.150 nan 0.000 0.464 72 S N -0.762 114.891 115.700 -0.078 0.000 2.439 72 S HA -0.047 4.426 4.470 0.006 0.000 0.224 72 S C 1.962 176.578 174.600 0.026 0.000 1.029 72 S CA 0.597 58.826 58.200 0.048 0.000 0.946 72 S CB -0.086 63.168 63.200 0.090 0.000 0.797 72 S HN 0.484 nan 8.310 nan 0.000 0.504 73 Q N -0.544 119.270 119.800 0.023 0.000 2.369 73 Q HA 0.048 4.391 4.340 0.006 0.000 0.206 73 Q C 1.350 177.394 176.000 0.073 0.000 0.963 73 Q CA 0.600 56.425 55.803 0.036 0.000 0.894 73 Q CB -0.257 28.506 28.738 0.043 0.000 0.965 73 Q HN 0.726 nan 8.270 nan 0.000 0.475 74 W N 0.210 121.449 121.300 -0.101 0.000 2.443 74 W HA -0.008 4.656 4.660 0.006 0.000 0.296 74 W C 1.552 178.048 176.519 -0.038 0.000 1.202 74 W CA 0.759 58.075 57.345 -0.048 0.000 1.312 74 W CB -0.129 29.301 29.460 -0.050 0.000 1.120 74 W HN 0.042 nan 8.180 nan 0.000 0.536 75 I N 0.921 121.525 120.570 0.058 0.000 2.286 75 I HA -0.311 3.862 4.170 0.006 0.000 0.248 75 I C 2.657 178.678 176.117 -0.160 0.000 1.115 75 I CA 1.456 62.709 61.300 -0.078 0.000 1.392 75 I CB -0.607 37.405 38.000 0.020 0.000 1.065 75 I HN -0.120 nan 8.210 nan 0.000 0.418 76 K N 1.141 121.481 120.400 -0.101 0.000 2.155 76 K HA -0.111 4.212 4.320 0.006 0.000 0.203 76 K C 2.199 178.720 176.600 -0.133 0.000 1.052 76 K CA 1.248 57.479 56.287 -0.095 0.000 0.948 76 K CB -0.001 32.470 32.500 -0.049 0.000 0.728 76 K HN 0.261 nan 8.250 nan 0.000 0.448 77 R N -0.365 120.032 120.500 -0.173 0.000 2.148 77 R HA 0.076 4.420 4.340 0.006 0.000 0.223 77 R C 2.159 178.292 176.300 -0.279 0.000 1.088 77 R CA 0.665 56.654 56.100 -0.184 0.000 0.985 77 R CB 0.046 30.262 30.300 -0.140 0.000 0.880 77 R HN 0.188 nan 8.270 nan 0.000 0.451 78 M N -0.174 119.159 119.600 -0.445 0.000 2.447 78 M HA -0.042 4.442 4.480 0.006 0.000 0.264 78 M C 1.152 177.291 176.300 -0.268 0.000 1.095 78 M CA 1.294 56.311 55.300 -0.471 0.000 1.125 78 M CB -0.004 32.129 32.600 -0.778 0.000 1.389 78 M HN -0.048 nan 8.290 nan 0.000 0.459 79 E N 0.549 120.623 120.200 -0.210 0.000 2.122 79 E HA -0.105 4.249 4.350 0.006 0.000 0.190 79 E C 1.430 177.966 176.600 -0.108 0.000 0.977 79 E CA 0.813 57.132 56.400 -0.136 0.000 0.820 79 E CB -0.030 29.603 29.700 -0.112 0.000 0.770 79 E HN 0.286 nan 8.360 nan 0.000 0.462 80 D N -0.094 120.240 120.400 -0.109 0.000 2.178 80 D HA -0.114 4.530 4.640 0.006 0.000 0.201 80 D C 1.662 177.918 176.300 -0.073 0.000 0.980 80 D CA 0.870 54.822 54.000 -0.079 0.000 0.842 80 D CB 0.041 40.798 40.800 -0.071 0.000 0.948 80 D HN 0.224 nan 8.370 nan 0.000 0.472 81 I N -0.965 119.549 120.570 -0.093 0.000 2.585 81 I HA 0.046 4.220 4.170 0.006 0.000 0.254 81 I C 1.477 177.554 176.117 -0.066 0.000 1.129 81 I CA 0.771 62.026 61.300 -0.075 0.000 1.455 81 I CB 0.138 38.086 38.000 -0.087 0.000 1.111 81 I HN 0.127 nan 8.210 nan 0.000 0.433 82 G N 1.501 110.251 108.800 -0.083 0.000 2.131 82 G HA2 -0.192 3.771 3.960 0.006 0.000 0.201 82 G HA3 -0.192 3.771 3.960 0.006 0.000 0.201 82 G C -0.103 174.766 174.900 -0.051 0.000 1.000 82 G CA -0.398 44.664 45.100 -0.064 0.000 0.680 82 G HN 0.189 nan 8.290 nan 0.000 0.514 83 L N -0.056 121.126 121.223 -0.068 0.000 2.334 83 L HA 0.644 4.988 4.340 0.006 0.000 0.270 83 L C 0.812 177.642 176.870 -0.067 0.000 1.018 83 L CA -1.049 53.770 54.840 -0.035 0.000 0.811 83 L CB 1.287 43.340 42.059 -0.009 0.000 1.271 83 L HN 0.219 nan 8.230 nan 0.000 0.443 84 E N 1.006 121.193 120.200 -0.022 0.000 2.344 84 E HA 0.318 4.672 4.350 0.006 0.000 0.270 84 E C -0.769 175.789 176.600 -0.069 0.000 1.021 84 E CA -0.458 55.916 56.400 -0.043 0.000 0.887 84 E CB 1.032 30.729 29.700 -0.005 0.000 0.997 84 E HN 0.625 nan 8.360 nan 0.000 0.429 85 A N 6.020 128.809 122.820 -0.051 0.000 2.582 85 A HA 0.323 4.646 4.320 0.006 0.000 0.336 85 A C -0.561 177.116 177.584 0.155 0.000 1.445 85 A CA -0.585 51.493 52.037 0.068 0.000 0.997 85 A CB -0.054 18.930 19.000 -0.027 0.000 1.148 85 A HN 0.541 nan 8.150 nan 0.000 0.514 86 L N 1.783 123.113 121.223 0.179 0.000 2.475 86 L HA 0.758 5.101 4.340 0.006 0.000 0.253 86 L C 1.150 178.194 176.870 0.290 0.000 1.198 86 L CA 1.072 56.007 54.840 0.158 0.000 0.814 86 L CB 0.268 42.375 42.059 0.081 0.000 1.134 86 L HN 1.104 nan 8.230 nan 0.000 0.478 87 G N 0.623 109.546 108.800 0.205 0.000 2.603 87 G HA2 -0.034 3.930 3.960 0.006 0.000 0.686 87 G HA3 -0.034 3.930 3.960 0.006 0.000 0.686 87 G C -0.980 173.956 174.900 0.062 0.000 1.286 87 G CA -0.514 44.743 45.100 0.261 0.000 0.871 87 G HN 0.615 nan 8.290 nan 0.000 0.568 88 M N 1.901 121.463 119.600 -0.064 0.000 2.266 88 M HA 0.402 4.885 4.480 0.006 0.000 0.340 88 M C 1.321 177.527 176.300 -0.157 0.000 1.486 88 M CA -0.254 54.876 55.300 -0.283 0.000 1.209 88 M CB 0.517 32.635 32.600 -0.803 0.000 1.714 88 M HN 0.600 nan 8.290 nan 0.000 0.459 89 D N 1.442 121.716 120.400 -0.210 0.000 2.340 89 D HA -0.017 4.626 4.640 0.006 0.000 0.220 89 D C -0.383 175.490 176.300 -0.712 0.000 1.039 89 D CA 0.202 53.970 54.000 -0.386 0.000 0.866 89 D CB -0.276 40.386 40.800 -0.229 0.000 0.913 89 D HN 0.540 nan 8.370 nan 0.000 0.523 90 D N 0.045 120.175 120.400 -0.451 0.000 2.411 90 D HA 0.045 4.688 4.640 0.006 0.000 0.225 90 D C 0.243 176.400 176.300 -0.239 0.000 1.156 90 D CA -0.654 53.125 54.000 -0.369 0.000 0.874 90 D CB 0.077 40.778 40.800 -0.165 0.000 1.034 90 D HN -0.139 nan 8.370 nan 0.000 0.502 91 F N 2.550 122.538 119.950 0.063 0.000 2.325 91 F HA 0.022 4.552 4.527 0.006 0.000 0.299 91 F C 2.230 178.102 175.800 0.120 0.000 1.090 91 F CA 0.484 58.574 58.000 0.150 0.000 1.392 91 F CB -0.363 38.758 39.000 0.202 0.000 1.053 91 F HN 0.315 nan 8.300 nan 0.000 0.521 92 K N 0.496 121.012 120.400 0.193 0.000 2.063 92 K HA -0.151 4.173 4.320 0.006 0.000 0.208 92 K C 2.071 178.743 176.600 0.120 0.000 1.048 92 K CA 1.320 57.681 56.287 0.123 0.000 0.928 92 K CB -0.541 31.991 32.500 0.053 0.000 0.713 92 K HN 0.300 nan 8.250 nan 0.000 0.442 93 L N 0.355 121.638 121.223 0.101 0.000 2.083 93 L HA -0.179 4.164 4.340 0.006 0.000 0.209 93 L C 2.601 179.626 176.870 0.260 0.000 1.083 93 L CA 1.042 55.966 54.840 0.140 0.000 0.752 93 L CB -0.679 41.460 42.059 0.133 0.000 0.899 93 L HN 0.229 nan 8.230 nan 0.000 0.433 94 A N -0.388 122.601 122.820 0.280 0.000 1.873 94 A HA -0.284 4.039 4.320 0.006 0.000 0.215 94 A C 2.201 179.898 177.584 0.189 0.000 1.186 94 A CA 1.393 53.678 52.037 0.414 0.000 0.616 94 A CB -0.979 18.328 19.000 0.512 0.000 0.823 94 A HN 0.449 nan 8.150 nan 0.000 0.442 95 Y N 0.506 120.651 120.300 -0.258 0.000 2.102 95 Y HA -0.267 4.287 4.550 0.006 0.000 0.280 95 Y C 2.034 177.787 175.900 -0.245 0.000 1.178 95 Y CA 2.120 59.830 58.100 -0.651 0.000 1.146 95 Y CB -0.229 37.793 38.460 -0.729 0.000 0.968 95 Y HN 0.230 nan 8.280 nan 0.000 0.504 96 L N -1.097 119.997 121.223 -0.216 0.000 2.056 96 L HA -0.226 4.117 4.340 0.006 0.000 0.207 96 L C 2.791 179.595 176.870 -0.109 0.000 1.078 96 L CA 1.630 56.349 54.840 -0.202 0.000 0.749 96 L CB -0.709 41.230 42.059 -0.199 0.000 0.901 96 L HN 0.236 nan 8.230 nan 0.000 0.433 97 S N -0.624 115.057 115.700 -0.033 0.000 2.402 97 S HA -0.169 4.304 4.470 0.006 0.000 0.229 97 S C 1.495 176.043 174.600 -0.088 0.000 1.021 97 S CA 1.313 59.489 58.200 -0.041 0.000 0.974 97 S CB -0.071 63.125 63.200 -0.007 0.000 0.800 97 S HN 0.378 nan 8.310 nan 0.000 0.484 98 D N 0.462 120.799 120.400 -0.105 0.000 2.120 98 D HA 0.010 4.654 4.640 0.006 0.000 0.202 98 D C 2.120 178.283 176.300 -0.228 0.000 0.972 98 D CA 1.352 55.296 54.000 -0.092 0.000 0.837 98 D CB -0.677 40.132 40.800 0.016 0.000 0.989 98 D HN 0.350 nan 8.370 nan 0.000 0.469 99 T N -0.511 113.759 114.554 -0.474 0.000 2.737 99 T HA -0.141 4.213 4.350 0.006 0.000 0.265 99 T C 0.672 174.925 174.700 -0.744 0.000 1.038 99 T CA 0.939 62.625 62.100 -0.689 0.000 1.144 99 T CB -0.300 67.913 68.868 -1.092 0.000 0.866 99 T HN 0.186 nan 8.240 nan 0.000 0.434 100 Y N 1.750 121.881 120.300 -0.282 0.000 2.883 100 Y HA 0.388 4.941 4.550 0.006 0.000 0.385 100 Y C 0.708 176.271 175.900 -0.561 0.000 1.067 100 Y CA -1.206 56.613 58.100 -0.469 0.000 1.682 100 Y CB -0.556 37.693 38.460 -0.352 0.000 1.606 100 Y HN 0.004 nan 8.280 nan 0.000 0.508 101 N N 2.509 121.081 118.700 -0.214 0.000 3.127 101 N HA 0.022 4.765 4.740 0.006 0.000 0.317 101 N C -1.348 174.224 175.510 0.102 0.000 1.242 101 N CA 0.281 53.300 53.050 -0.052 0.000 1.203 101 N CB -0.884 37.623 38.487 0.034 0.000 1.462 101 N HN 0.471 nan 8.380 nan 0.000 0.546 102 Y N -2.730 117.598 120.300 0.047 0.000 2.810 102 Y HA 0.305 4.859 4.550 0.006 0.000 0.355 102 Y C -0.670 175.262 175.900 0.053 0.000 1.211 102 Y CA -1.357 56.768 58.100 0.042 0.000 1.112 102 Y CB 0.446 38.935 38.460 0.049 0.000 1.383 102 Y HN -0.073 nan 8.280 nan 0.000 0.458 103 E N 1.983 122.316 120.200 0.222 0.000 2.265 103 E HA 0.260 4.614 4.350 0.006 0.000 0.272 103 E C -0.769 175.962 176.600 0.218 0.000 1.067 103 E CA -0.197 56.283 56.400 0.134 0.000 0.900 103 E CB 0.453 30.224 29.700 0.118 0.000 1.017 103 E HN 0.570 nan 8.360 nan 0.000 0.431 104 I N 4.953 125.591 120.570 0.112 0.000 2.436 104 I HA 0.012 4.186 4.170 0.006 0.000 0.289 104 I C 0.317 176.486 176.117 0.086 0.000 1.083 104 I CA 0.108 61.474 61.300 0.110 0.000 1.372 104 I CB 0.455 38.428 38.000 -0.046 0.000 1.408 104 I HN 0.246 nan 8.210 nan 0.000 0.516 105 K N 8.533 128.973 120.400 0.067 0.000 2.316 105 K HA 0.316 4.639 4.320 0.006 0.000 0.267 105 K C -1.182 175.278 176.600 -0.234 0.000 1.025 105 K CA -0.428 55.825 56.287 -0.057 0.000 0.896 105 K CB 0.542 33.030 32.500 -0.021 0.000 1.124 105 K HN 0.422 nan 8.250 nan 0.000 0.451 106 Y N 0.328 120.334 120.300 -0.491 0.000 2.429 106 Y HA 0.542 5.096 4.550 0.006 0.000 0.342 106 Y C -0.735 174.754 175.900 -0.686 0.000 1.004 106 Y CA -1.383 56.089 58.100 -1.046 0.000 1.075 106 Y CB 1.486 39.086 38.460 -1.433 0.000 1.214 106 Y HN 0.406 nan 8.280 nan 0.000 0.455 107 D N 2.519 122.535 120.400 -0.640 0.000 2.428 107 D HA 0.076 4.719 4.640 0.006 0.000 0.221 107 D C 0.802 177.119 176.300 0.028 0.000 1.123 107 D CA -0.214 53.654 54.000 -0.219 0.000 0.869 107 D CB 0.205 40.983 40.800 -0.036 0.000 1.032 107 D HN 0.944 nan 8.370 nan 0.000 0.506 108 H N 0.916 120.053 119.070 0.111 0.000 2.421 108 H HA -0.149 4.410 4.556 0.006 0.000 0.298 108 H C 1.627 177.058 175.328 0.172 0.000 1.087 108 H CA 1.955 58.140 56.048 0.227 0.000 1.330 108 H CB -0.425 29.478 29.762 0.235 0.000 1.388 108 H HN 0.310 nan 8.280 nan 0.000 0.526 109 T N -2.227 112.067 114.554 -0.435 0.000 3.025 109 T HA -0.098 4.255 4.350 0.006 0.000 0.270 109 T C 1.688 176.391 174.700 0.006 0.000 1.126 109 T CA 1.355 63.346 62.100 -0.183 0.000 1.105 109 T CB -0.202 68.539 68.868 -0.212 0.000 0.884 109 T HN 0.405 nan 8.240 nan 0.000 0.522 110 K N -0.170 120.279 120.400 0.082 0.000 2.354 110 K HA 0.411 4.735 4.320 0.006 0.000 0.194 110 K C 0.223 176.918 176.600 0.159 0.000 1.038 110 K CA -0.089 56.277 56.287 0.131 0.000 1.052 110 K CB 0.295 32.915 32.500 0.200 0.000 0.861 110 K HN 0.466 nan 8.250 nan 0.000 0.535 111 I N 2.043 122.748 120.570 0.225 0.000 2.352 111 I HA 0.142 4.315 4.170 0.006 0.000 0.290 111 I C 0.108 176.302 176.117 0.128 0.000 1.036 111 I CA -0.541 60.884 61.300 0.208 0.000 1.336 111 I CB 1.120 39.295 38.000 0.292 0.000 1.407 111 I HN -0.020 nan 8.210 nan 0.000 0.497 112 R N 6.189 126.724 120.500 0.059 0.000 2.291 112 R HA 0.352 4.696 4.340 0.006 0.000 0.333 112 R C -1.203 175.114 176.300 0.028 0.000 1.082 112 R CA -0.298 55.809 56.100 0.013 0.000 0.948 112 R CB 0.437 30.696 30.300 -0.068 0.000 1.009 112 R HN 0.484 nan 8.270 nan 0.000 0.460 113 V N 4.284 124.241 119.914 0.071 0.000 2.347 113 V HA 0.526 4.650 4.120 0.006 0.000 0.280 113 V C 0.133 176.282 176.094 0.091 0.000 1.021 113 V CA -0.769 61.592 62.300 0.101 0.000 0.847 113 V CB 1.164 33.085 31.823 0.163 0.000 0.990 113 V HN 0.862 nan 8.190 nan 0.000 0.444 114 A N 4.446 127.289 122.820 0.039 0.000 2.340 114 A HA 0.788 5.111 4.320 0.006 0.000 0.331 114 A C -0.289 177.335 177.584 0.066 0.000 1.140 114 A CA -0.711 51.303 52.037 -0.038 0.000 0.801 114 A CB 1.121 19.982 19.000 -0.232 0.000 1.234 114 A HN 0.708 nan 8.150 nan 0.000 0.469 115 N N 1.081 119.848 118.700 0.111 0.000 2.519 115 N HA 0.578 5.322 4.740 0.006 0.000 0.286 115 N C -1.833 173.891 175.510 0.356 0.000 1.079 115 N CA -0.049 53.161 53.050 0.267 0.000 0.878 115 N CB 1.733 40.382 38.487 0.271 0.000 1.375 115 N HN 0.604 nan 8.380 nan 0.000 0.514 116 F N 1.232 121.267 119.950 0.143 0.000 2.626 116 F HA 0.679 5.209 4.527 0.006 0.000 0.311 116 F C -1.355 174.586 175.800 0.234 0.000 1.088 116 F CA -1.190 56.935 58.000 0.209 0.000 0.949 116 F CB 1.619 40.779 39.000 0.268 0.000 1.322 116 F HN 0.149 nan 8.300 nan 0.000 0.461 117 D N 2.559 122.966 120.400 0.012 0.000 2.753 117 D HA 0.510 5.154 4.640 0.006 0.000 0.224 117 D C -1.454 174.829 176.300 -0.028 0.000 1.213 117 D CA -0.372 53.545 54.000 -0.140 0.000 0.833 117 D CB 2.830 43.636 40.800 0.009 0.000 1.607 117 D HN 0.931 nan 8.370 nan 0.000 0.463 118 I N -1.347 119.197 120.570 -0.044 0.000 2.982 118 I HA 0.693 4.866 4.170 0.006 0.000 0.312 118 I C -0.893 175.230 176.117 0.010 0.000 1.041 118 I CA -0.643 60.662 61.300 0.009 0.000 1.053 118 I CB 2.317 40.310 38.000 -0.011 0.000 1.248 118 I HN 0.108 nan 8.210 nan 0.000 0.471 119 E N 2.619 122.810 120.200 -0.014 0.000 2.293 119 E HA 0.583 4.937 4.350 0.006 0.000 0.270 119 E C -1.449 175.190 176.600 0.064 0.000 0.879 119 E CA -0.687 55.699 56.400 -0.023 0.000 0.756 119 E CB 2.828 32.370 29.700 -0.262 0.000 1.208 119 E HN 0.527 nan 8.360 nan 0.000 0.428 120 V N 2.268 122.217 119.914 0.057 0.000 2.501 120 V HA 0.163 4.287 4.120 0.006 0.000 0.277 120 V C -0.079 176.035 176.094 0.034 0.000 1.004 120 V CA -0.718 61.582 62.300 0.000 0.000 0.862 120 V CB 1.655 33.323 31.823 -0.259 0.000 1.035 120 V HN 0.580 nan 8.190 nan 0.000 0.448 121 T N 3.277 117.903 114.554 0.120 0.000 2.888 121 T HA 0.292 4.645 4.350 0.006 0.000 0.301 121 T C 0.283 174.922 174.700 -0.102 0.000 1.001 121 T CA 0.699 62.819 62.100 0.032 0.000 1.147 121 T CB 0.828 69.722 68.868 0.044 0.000 0.931 121 T HN 0.708 nan 8.240 nan 0.000 0.541 122 S N 3.653 119.196 115.700 -0.261 0.000 2.614 122 S HA 0.506 4.979 4.470 0.006 0.000 0.288 122 S C -2.140 172.257 174.600 -0.338 0.000 1.137 122 S CA -1.453 56.451 58.200 -0.493 0.000 0.992 122 S CB 1.667 64.418 63.200 -0.748 0.000 1.026 122 S HN 0.469 nan 8.310 nan 0.000 0.486 123 P HA 0.265 nan 4.420 nan 0.000 0.255 123 P C 0.194 177.436 177.300 -0.097 0.000 1.248 123 P CA 0.192 63.169 63.100 -0.205 0.000 0.807 123 P CB 0.316 31.866 31.700 -0.250 0.000 1.150 124 D N -0.186 120.162 120.400 -0.088 0.000 2.346 124 D HA 0.192 4.835 4.640 0.006 0.000 0.206 124 D C 1.328 177.632 176.300 0.005 0.000 1.001 124 D CA 1.076 55.086 54.000 0.016 0.000 0.871 124 D CB 0.559 41.454 40.800 0.158 0.000 0.943 124 D HN 0.174 nan 8.370 nan 0.000 0.518 125 G N 0.112 108.888 108.800 -0.039 0.000 2.472 125 G HA2 -0.223 3.741 3.960 0.006 0.000 0.205 125 G HA3 -0.223 3.741 3.960 0.006 0.000 0.205 125 G C -0.579 174.337 174.900 0.025 0.000 1.270 125 G CA -0.484 44.634 45.100 0.030 0.000 0.974 125 G HN 0.171 nan 8.290 nan 0.000 0.542 126 F N 3.853 123.807 119.950 0.005 0.000 2.504 126 F HA 0.547 5.078 4.527 0.006 0.000 0.369 126 F C -1.243 174.603 175.800 0.076 0.000 1.082 126 F CA -1.259 56.755 58.000 0.023 0.000 1.216 126 F CB 1.159 40.180 39.000 0.035 0.000 1.108 126 F HN 0.281 nan 8.300 nan 0.000 0.554 127 P HA 0.104 nan 4.420 nan 0.000 0.262 127 P C -1.108 176.282 177.300 0.150 0.000 1.620 127 P CA -0.305 62.713 63.100 -0.138 0.000 1.089 127 P CB 0.484 32.109 31.700 -0.124 0.000 1.601 128 E N 4.581 124.940 120.200 0.266 0.000 2.493 128 E HA -0.024 4.330 4.350 0.006 0.000 0.255 128 E C -1.349 175.356 176.600 0.175 0.000 0.999 128 E CA -1.237 55.351 56.400 0.314 0.000 0.934 128 E CB 0.289 30.121 29.700 0.220 0.000 0.940 128 E HN 0.360 nan 8.360 nan 0.000 0.473 129 P HA -0.175 nan 4.420 nan 0.000 0.220 129 P C 1.375 178.596 177.300 -0.133 0.000 1.148 129 P CA 1.227 64.281 63.100 -0.076 0.000 0.803 129 P CB 0.179 31.910 31.700 0.051 0.000 0.782 130 S N -0.710 114.979 115.700 -0.017 0.000 2.382 130 S HA -0.189 4.285 4.470 0.006 0.000 0.228 130 S C 1.977 176.541 174.600 -0.060 0.000 1.027 130 S CA 0.912 59.099 58.200 -0.022 0.000 0.991 130 S CB -0.975 62.232 63.200 0.011 0.000 0.823 130 S HN 0.075 nan 8.310 nan 0.000 0.469 131 Q N 1.396 121.158 119.800 -0.064 0.000 2.089 131 Q HA 0.353 4.696 4.340 0.006 0.000 0.195 131 Q C 1.504 177.404 176.000 -0.167 0.000 0.963 131 Q CA 0.952 56.709 55.803 -0.077 0.000 0.834 131 Q CB -1.096 27.630 28.738 -0.019 0.000 0.906 131 Q HN 0.905 nan 8.270 nan 0.000 0.452 132 A N 1.312 123.950 122.820 -0.302 0.000 2.687 132 A HA -0.298 4.026 4.320 0.006 0.000 0.299 132 A C 1.089 178.581 177.584 -0.152 0.000 1.497 132 A CA 1.275 52.966 52.037 -0.577 0.000 0.751 132 A CB -1.903 16.628 19.000 -0.782 0.000 1.048 132 A HN 0.343 nan 8.150 nan 0.000 0.464 133 K N -0.767 119.637 120.400 0.007 0.000 2.103 133 K HA -0.122 4.201 4.320 0.006 0.000 0.207 133 K C 0.609 177.137 176.600 -0.120 0.000 1.048 133 K CA 1.843 58.066 56.287 -0.107 0.000 0.930 133 K CB -0.099 32.241 32.500 -0.266 0.000 0.716 133 K HN 0.929 nan 8.250 nan 0.000 0.444 134 H N -0.874 118.335 119.070 0.232 0.000 2.499 134 H HA 0.288 4.848 4.556 0.006 0.000 0.340 134 H C -2.480 173.020 175.328 0.286 0.000 1.148 134 H CA -2.637 53.591 56.048 0.301 0.000 1.215 134 H CB 0.930 30.881 29.762 0.315 0.000 1.529 134 H HN -0.187 nan 8.280 nan 0.000 0.510 135 P HA 0.014 nan 4.420 nan 0.000 0.268 135 P C -0.199 177.221 177.300 0.199 0.000 1.205 135 P CA 0.177 63.399 63.100 0.204 0.000 0.771 135 P CB 0.555 32.324 31.700 0.116 0.000 0.858 136 I N 3.637 124.297 120.570 0.149 0.000 2.379 136 I HA 0.031 4.205 4.170 0.006 0.000 0.290 136 I C 0.790 176.963 176.117 0.094 0.000 1.063 136 I CA 0.487 61.831 61.300 0.073 0.000 1.351 136 I CB 0.630 38.661 38.000 0.053 0.000 1.410 136 I HN 0.463 nan 8.210 nan 0.000 0.505 137 D N 4.386 124.868 120.400 0.135 0.000 2.469 137 D HA 0.350 4.994 4.640 0.006 0.000 0.213 137 D C -0.052 176.401 176.300 0.256 0.000 1.135 137 D CA -0.144 53.976 54.000 0.200 0.000 0.834 137 D CB 0.792 41.730 40.800 0.229 0.000 1.009 137 D HN 0.380 nan 8.370 nan 0.000 0.507 138 A N 0.169 123.099 122.820 0.183 0.000 2.555 138 A HA 0.642 4.966 4.320 0.006 0.000 0.297 138 A C -1.636 175.998 177.584 0.083 0.000 1.060 138 A CA -0.777 51.353 52.037 0.155 0.000 0.710 138 A CB 1.008 20.082 19.000 0.123 0.000 1.282 138 A HN 0.135 nan 8.150 nan 0.000 0.399 139 I N 1.335 121.981 120.570 0.128 0.000 2.545 139 I HA 0.511 4.685 4.170 0.006 0.000 0.292 139 I C -0.227 176.071 176.117 0.301 0.000 1.040 139 I CA -0.438 60.944 61.300 0.136 0.000 1.068 139 I CB 2.647 40.577 38.000 -0.116 0.000 1.251 139 I HN 0.583 nan 8.210 nan 0.000 0.424 140 T N 3.405 118.147 114.554 0.314 0.000 2.823 140 T HA 0.395 4.749 4.350 0.006 0.000 0.279 140 T C -1.159 173.903 174.700 0.603 0.000 0.998 140 T CA -0.465 61.882 62.100 0.411 0.000 0.994 140 T CB 0.867 69.906 68.868 0.285 0.000 0.960 140 T HN 0.555 nan 8.240 nan 0.000 0.448 141 H N 1.880 121.286 119.070 0.561 0.000 3.108 141 H HA 0.428 4.987 4.556 0.006 0.000 0.329 141 H C -1.763 173.899 175.328 0.557 0.000 0.978 141 H CA -0.726 55.690 56.048 0.614 0.000 1.413 141 H CB 0.658 30.828 29.762 0.680 0.000 1.670 141 H HN 0.667 nan 8.280 nan 0.000 0.512 142 Y N 4.842 125.309 120.300 0.279 0.000 2.320 142 Y HA 0.259 4.812 4.550 0.006 0.000 0.334 142 Y C -0.820 175.145 175.900 0.109 0.000 1.055 142 Y CA -0.472 57.653 58.100 0.042 0.000 1.143 142 Y CB 0.981 39.277 38.460 -0.272 0.000 1.193 142 Y HN 0.641 nan 8.280 nan 0.000 0.477 143 D N 3.906 123.959 120.400 -0.579 0.000 2.425 143 D HA 0.086 4.730 4.640 0.006 0.000 0.240 143 D C 0.507 176.460 176.300 -0.578 0.000 1.080 143 D CA 0.016 53.828 54.000 -0.314 0.000 0.836 143 D CB 1.828 42.649 40.800 0.035 0.000 1.125 143 D HN 0.776 nan 8.370 nan 0.000 0.525 144 S N 3.996 119.561 115.700 -0.225 0.000 2.447 144 S HA -0.127 4.347 4.470 0.006 0.000 0.233 144 S C 1.917 176.521 174.600 0.006 0.000 1.006 144 S CA 0.328 58.528 58.200 -0.000 0.000 0.957 144 S CB -0.061 63.262 63.200 0.205 0.000 0.773 144 S HN 0.556 nan 8.310 nan 0.000 0.507 145 I N 2.990 123.547 120.570 -0.021 0.000 2.162 145 I HA -0.085 4.088 4.170 0.006 0.000 0.238 145 I C 2.043 178.158 176.117 -0.003 0.000 1.076 145 I CA 1.347 62.646 61.300 -0.001 0.000 1.353 145 I CB -1.584 36.407 38.000 -0.015 0.000 1.063 145 I HN 0.252 nan 8.210 nan 0.000 0.408 146 D N 0.393 120.787 120.400 -0.011 0.000 2.178 146 D HA -0.191 4.452 4.640 0.006 0.000 0.201 146 D C 0.715 177.012 176.300 -0.005 0.000 0.980 146 D CA 1.120 55.141 54.000 0.035 0.000 0.842 146 D CB -0.447 40.451 40.800 0.163 0.000 0.948 146 D HN 0.328 nan 8.370 nan 0.000 0.472 147 D N -0.140 120.189 120.400 -0.118 0.000 2.699 147 D HA -0.165 4.478 4.640 0.006 0.000 0.239 147 D C -0.832 175.405 176.300 -0.105 0.000 1.136 147 D CA 0.504 54.429 54.000 -0.126 0.000 0.668 147 D CB -0.349 40.500 40.800 0.081 0.000 1.060 147 D HN 0.095 nan 8.370 nan 0.000 0.429 148 R N 0.088 120.431 120.500 -0.262 0.000 2.795 148 R HA 0.526 4.870 4.340 0.006 0.000 0.275 148 R C -0.483 175.700 176.300 -0.195 0.000 0.981 148 R CA -0.739 55.266 56.100 -0.160 0.000 0.917 148 R CB 0.742 30.851 30.300 -0.319 0.000 1.202 148 R HN -0.001 nan 8.270 nan 0.000 0.469 149 F N 1.671 121.634 119.950 0.021 0.000 2.371 149 F HA 0.327 4.858 4.527 0.006 0.000 0.363 149 F C 0.029 175.810 175.800 -0.032 0.000 1.122 149 F CA -0.635 57.460 58.000 0.157 0.000 1.129 149 F CB 0.428 39.538 39.000 0.184 0.000 1.173 149 F HN 0.276 nan 8.300 nan 0.000 0.489 150 Y N 2.717 123.186 120.300 0.281 0.000 2.504 150 Y HA 0.384 4.937 4.550 0.006 0.000 0.351 150 Y C 0.070 175.948 175.900 -0.037 0.000 0.988 150 Y CA -0.660 57.455 58.100 0.025 0.000 1.239 150 Y CB 0.522 38.917 38.460 -0.108 0.000 1.128 150 Y HN 0.216 nan 8.280 nan 0.000 0.525 151 V N 5.719 125.588 119.914 -0.074 0.000 2.383 151 V HA 0.225 4.349 4.120 0.006 0.000 0.275 151 V C -0.477 175.458 176.094 -0.265 0.000 1.036 151 V CA -0.818 61.455 62.300 -0.045 0.000 0.889 151 V CB 0.051 31.876 31.823 0.003 0.000 0.985 151 V HN 0.412 nan 8.190 nan 0.000 0.459 152 F N 3.267 123.279 119.950 0.103 0.000 2.361 152 F HA 0.542 5.072 4.527 0.006 0.000 0.364 152 F C 0.122 176.026 175.800 0.175 0.000 1.117 152 F CA -0.696 57.419 58.000 0.192 0.000 1.071 152 F CB 1.299 40.368 39.000 0.115 0.000 1.188 152 F HN 0.444 nan 8.300 nan 0.000 0.464 153 D N 3.525 124.119 120.400 0.323 0.000 2.649 153 D HA 0.379 5.022 4.640 0.006 0.000 0.249 153 D C -1.617 174.900 176.300 0.361 0.000 1.112 153 D CA -0.560 53.627 54.000 0.312 0.000 0.850 153 D CB 1.855 42.860 40.800 0.343 0.000 1.399 153 D HN 0.388 nan 8.370 nan 0.000 0.503 154 L N 4.994 126.413 121.223 0.326 0.000 2.262 154 L HA 0.377 4.720 4.340 0.006 0.000 0.288 154 L C 0.087 177.066 176.870 0.183 0.000 1.035 154 L CA -0.186 54.810 54.840 0.260 0.000 0.820 154 L CB 0.841 43.016 42.059 0.193 0.000 1.204 154 L HN 0.634 nan 8.230 nan 0.000 0.424 155 L N 3.848 125.151 121.223 0.132 0.000 2.418 155 L HA 0.212 4.556 4.340 0.006 0.000 0.218 155 L C 0.060 176.933 176.870 0.004 0.000 1.125 155 L CA 0.217 55.075 54.840 0.028 0.000 0.835 155 L CB -0.332 41.745 42.059 0.031 0.000 0.953 155 L HN 0.627 nan 8.230 nan 0.000 0.454 156 N N 0.063 118.787 118.700 0.039 0.000 2.410 156 N HA 0.377 5.121 4.740 0.006 0.000 0.287 156 N C -1.083 174.433 175.510 0.010 0.000 1.044 156 N CA 0.028 53.088 53.050 0.016 0.000 0.881 156 N CB 2.359 40.856 38.487 0.017 0.000 1.405 156 N HN -0.077 nan 8.380 nan 0.000 0.490 157 S N 1.275 116.966 115.700 -0.015 0.000 2.547 157 S HA 0.497 4.971 4.470 0.006 0.000 0.270 157 S C -2.402 172.128 174.600 -0.118 0.000 1.150 157 S CA -0.985 57.183 58.200 -0.054 0.000 0.850 157 S CB 2.049 65.248 63.200 -0.002 0.000 1.118 157 S HN 0.203 nan 8.310 nan 0.000 0.461 158 P HA -0.004 nan 4.420 nan 0.000 0.228 158 P C 0.290 177.436 177.300 -0.257 0.000 1.151 158 P CA 0.934 63.845 63.100 -0.315 0.000 0.770 158 P CB -0.242 31.154 31.700 -0.507 0.000 0.786 159 Y N -0.041 120.270 120.300 0.019 0.000 2.457 159 Y HA 0.512 5.066 4.550 0.006 0.000 0.263 159 Y C 1.574 177.469 175.900 -0.007 0.000 1.164 159 Y CA -0.190 57.919 58.100 0.015 0.000 1.274 159 Y CB 0.092 38.570 38.460 0.030 0.000 1.097 159 Y HN -0.028 nan 8.280 nan 0.000 0.523 160 G N 0.076 108.926 108.800 0.084 0.000 2.318 160 G HA2 0.035 3.998 3.960 0.006 0.000 0.302 160 G HA3 0.035 3.998 3.960 0.006 0.000 0.302 160 G C -1.520 173.379 174.900 -0.002 0.000 1.633 160 G CA -1.236 43.885 45.100 0.035 0.000 0.965 160 G HN 0.116 nan 8.290 nan 0.000 0.698 161 N N -0.829 117.862 118.700 -0.016 0.000 2.473 161 N HA 0.739 5.482 4.740 0.006 0.000 0.291 161 N C 0.087 175.559 175.510 -0.064 0.000 1.083 161 N CA -0.572 52.458 53.050 -0.034 0.000 0.951 161 N CB 2.607 41.081 38.487 -0.021 0.000 1.164 161 N HN 0.893 nan 8.380 nan 0.000 0.480 162 V N -1.394 118.450 119.914 -0.116 0.000 3.159 162 V HA 0.514 4.638 4.120 0.006 0.000 0.308 162 V C -0.519 175.472 176.094 -0.172 0.000 1.190 162 V CA -0.989 61.194 62.300 -0.195 0.000 1.037 162 V CB 1.847 33.403 31.823 -0.445 0.000 1.060 162 V HN 0.563 nan 8.190 nan 0.000 0.437 163 E N 0.700 120.827 120.200 -0.121 0.000 2.349 163 E HA 0.310 4.664 4.350 0.006 0.000 0.265 163 E C -0.131 176.492 176.600 0.038 0.000 1.064 163 E CA -0.370 56.019 56.400 -0.019 0.000 0.886 163 E CB 0.891 30.605 29.700 0.023 0.000 1.036 163 E HN 0.775 nan 8.360 nan 0.000 0.413 164 E N 0.897 121.176 120.200 0.133 0.000 2.458 164 E HA -0.125 4.229 4.350 0.006 0.000 0.264 164 E C -0.897 175.904 176.600 0.335 0.000 1.097 164 E CA 0.291 56.875 56.400 0.307 0.000 0.973 164 E CB 0.466 30.332 29.700 0.275 0.000 0.963 164 E HN 0.356 nan 8.360 nan 0.000 0.451 165 W N 2.349 123.741 121.300 0.152 0.000 2.287 165 W HA 0.118 4.781 4.660 0.006 0.000 0.313 165 W C -0.208 176.129 176.519 -0.303 0.000 1.267 165 W CA -0.317 56.947 57.345 -0.135 0.000 1.201 165 W CB 0.979 30.220 29.460 -0.364 0.000 1.196 165 W HN 0.184 nan 8.180 nan 0.000 0.536 166 S N 7.245 122.436 115.700 -0.849 0.000 2.422 166 S HA 0.170 4.643 4.470 0.006 0.000 0.298 166 S C 0.844 174.594 174.600 -1.417 0.000 1.118 166 S CA -0.693 57.002 58.200 -0.842 0.000 1.083 166 S CB 0.493 63.411 63.200 -0.470 0.000 0.971 166 S HN 0.695 nan 8.310 nan 0.000 0.478 167 I N 4.215 124.033 120.570 -1.253 0.000 2.614 167 I HA -0.106 4.067 4.170 0.006 0.000 0.258 167 I C 1.994 177.789 176.117 -0.536 0.000 1.189 167 I CA 1.174 61.865 61.300 -1.015 0.000 1.462 167 I CB 0.009 37.754 38.000 -0.425 0.000 1.092 167 I HN 0.755 nan 8.210 nan 0.000 0.442 168 E N 0.999 120.949 120.200 -0.417 0.000 2.046 168 E HA -0.207 4.146 4.350 0.006 0.000 0.190 168 E C 2.170 178.617 176.600 -0.255 0.000 0.982 168 E CA 1.362 57.608 56.400 -0.258 0.000 0.800 168 E CB -0.684 28.905 29.700 -0.185 0.000 0.756 168 E HN 0.528 nan 8.360 nan 0.000 0.449 169 I N 1.866 122.248 120.570 -0.314 0.000 2.394 169 I HA -0.188 3.986 4.170 0.006 0.000 0.251 169 I C 2.623 178.599 176.117 -0.234 0.000 1.136 169 I CA 1.004 62.154 61.300 -0.250 0.000 1.425 169 I CB -0.389 37.462 38.000 -0.249 0.000 1.079 169 I HN 0.047 nan 8.210 nan 0.000 0.425 170 A N 0.896 123.508 122.820 -0.346 0.000 1.933 170 A HA -0.177 4.146 4.320 0.006 0.000 0.218 170 A C 2.565 180.099 177.584 -0.083 0.000 1.175 170 A CA 1.854 53.789 52.037 -0.170 0.000 0.628 170 A CB -0.755 18.178 19.000 -0.112 0.000 0.814 170 A HN 0.427 nan 8.150 nan 0.000 0.444 171 A N -0.173 122.573 122.820 -0.123 0.000 1.902 171 A HA -0.039 4.284 4.320 0.006 0.000 0.217 171 A C 1.334 178.883 177.584 -0.058 0.000 1.181 171 A CA 1.325 53.315 52.037 -0.078 0.000 0.623 171 A CB -0.320 18.625 19.000 -0.091 0.000 0.818 171 A HN 0.524 nan 8.150 nan 0.000 0.443 172 K N 0.945 121.303 120.400 -0.070 0.000 2.380 172 K HA 0.255 4.579 4.320 0.006 0.000 0.267 172 K C 0.178 176.762 176.600 -0.028 0.000 0.990 172 K CA -0.310 55.947 56.287 -0.050 0.000 0.946 172 K CB 0.265 32.730 32.500 -0.059 0.000 0.937 172 K HN 0.368 nan 8.250 nan 0.000 0.491 173 L N 1.984 123.196 121.223 -0.019 0.000 2.516 173 L HA -0.123 4.221 4.340 0.006 0.000 0.288 173 L C 1.408 178.279 176.870 0.002 0.000 1.246 173 L CA 0.042 54.879 54.840 -0.005 0.000 0.844 173 L CB -0.133 41.922 42.059 -0.007 0.000 1.106 173 L HN 0.665 nan 8.230 nan 0.000 0.509 174 Q N 1.764 121.575 119.800 0.018 0.000 2.096 174 Q HA -0.218 4.126 4.340 0.006 0.000 0.208 174 Q C 1.823 177.832 176.000 0.015 0.000 0.993 174 Q CA 1.915 57.735 55.803 0.028 0.000 0.862 174 Q CB -0.231 28.533 28.738 0.044 0.000 0.915 174 Q HN 0.657 nan 8.270 nan 0.000 0.416 175 E N 0.399 120.604 120.200 0.009 0.000 2.333 175 E HA -0.164 4.189 4.350 0.006 0.000 0.198 175 E C 1.502 178.100 176.600 -0.003 0.000 1.007 175 E CA 0.873 57.275 56.400 0.003 0.000 0.845 175 E CB -0.035 29.665 29.700 0.001 0.000 0.766 175 E HN 0.377 nan 8.360 nan 0.000 0.507 176 Q N -0.897 118.899 119.800 -0.008 0.000 2.219 176 Q HA 0.159 4.502 4.340 0.006 0.000 0.209 176 Q C 0.294 176.282 176.000 -0.020 0.000 0.854 176 Q CA 0.455 56.249 55.803 -0.016 0.000 0.960 176 Q CB 0.652 29.377 28.738 -0.022 0.000 1.116 176 Q HN 0.239 nan 8.270 nan 0.000 0.500 177 G N -0.745 108.047 108.800 -0.014 0.000 2.141 177 G HA2 -0.162 3.802 3.960 0.006 0.000 0.195 177 G HA3 -0.162 3.802 3.960 0.006 0.000 0.195 177 G C 0.055 174.938 174.900 -0.027 0.000 1.012 177 G CA -0.201 44.890 45.100 -0.016 0.000 0.696 177 G HN 0.574 nan 8.290 nan 0.000 0.508 178 G N -1.345 107.441 108.800 -0.023 0.000 3.175 178 G HA2 0.614 4.577 3.960 0.006 0.000 0.255 178 G HA3 0.614 4.577 3.960 0.006 0.000 0.255 178 G C 0.014 174.910 174.900 -0.007 0.000 1.352 178 G CA 0.321 45.400 45.100 -0.036 0.000 1.037 178 G HN 0.007 nan 8.290 nan 0.000 0.556 179 D N -1.041 119.360 120.400 0.001 0.000 2.441 179 D HA 0.101 4.745 4.640 0.006 0.000 0.210 179 D C 0.342 176.696 176.300 0.091 0.000 1.102 179 D CA 0.038 54.071 54.000 0.055 0.000 0.840 179 D CB 0.999 41.831 40.800 0.053 0.000 0.990 179 D HN 0.598 nan 8.370 nan 0.000 0.505 180 E N 0.562 120.790 120.200 0.046 0.000 2.320 180 E HA -0.161 4.193 4.350 0.006 0.000 0.234 180 E C -0.852 175.775 176.600 0.045 0.000 1.183 180 E CA -0.132 56.292 56.400 0.039 0.000 0.713 180 E CB -1.048 28.681 29.700 0.048 0.000 1.226 180 E HN -0.030 nan 8.360 nan 0.000 0.382 181 V N 1.880 121.816 119.914 0.035 0.000 2.446 181 V HA 0.139 4.262 4.120 0.006 0.000 0.276 181 V C -1.693 174.379 176.094 -0.037 0.000 1.030 181 V CA -0.872 61.435 62.300 0.013 0.000 1.033 181 V CB 0.670 32.509 31.823 0.027 0.000 0.993 181 V HN 0.242 nan 8.190 nan 0.000 0.477 182 P HA -0.048 nan 4.420 nan 0.000 0.257 182 P C 0.960 178.194 177.300 -0.110 0.000 1.162 182 P CA 0.518 63.584 63.100 -0.057 0.000 0.762 182 P CB 0.450 32.135 31.700 -0.025 0.000 0.753 183 S N 3.063 118.728 115.700 -0.060 0.000 2.474 183 S HA -0.163 4.310 4.470 0.006 0.000 0.235 183 S C 1.330 175.896 174.600 -0.057 0.000 0.997 183 S CA 0.668 58.834 58.200 -0.057 0.000 0.949 183 S CB -0.610 62.570 63.200 -0.032 0.000 0.766 183 S HN 0.581 nan 8.310 nan 0.000 0.517 184 E N 2.040 122.207 120.200 -0.055 0.000 2.515 184 E HA -0.055 4.299 4.350 0.006 0.000 0.201 184 E C 1.645 178.201 176.600 -0.073 0.000 1.071 184 E CA 0.796 57.179 56.400 -0.028 0.000 0.880 184 E CB -0.488 29.229 29.700 0.029 0.000 0.828 184 E HN 0.923 nan 8.360 nan 0.000 0.540 185 I N -2.920 117.543 120.570 -0.180 0.000 4.439 185 I HA 0.094 4.267 4.170 0.006 0.000 0.331 185 I C 1.403 177.434 176.117 -0.143 0.000 1.345 185 I CA -0.345 60.831 61.300 -0.208 0.000 1.193 185 I CB 0.089 37.713 38.000 -0.625 0.000 1.221 185 I HN -0.215 nan 8.210 nan 0.000 0.429 186 I N 2.849 123.357 120.570 -0.104 0.000 2.208 186 I HA -0.246 3.928 4.170 0.006 0.000 0.245 186 I C 1.555 177.672 176.117 0.001 0.000 1.097 186 I CA 1.763 63.035 61.300 -0.046 0.000 1.363 186 I CB -1.082 36.893 38.000 -0.041 0.000 1.051 186 I HN 0.313 nan 8.210 nan 0.000 0.413 187 D N 0.624 121.030 120.400 0.009 0.000 2.363 187 D HA -0.071 4.572 4.640 0.006 0.000 0.220 187 D C 1.650 177.984 176.300 0.058 0.000 0.994 187 D CA 0.690 54.708 54.000 0.030 0.000 0.890 187 D CB -0.015 40.801 40.800 0.027 0.000 0.906 187 D HN 0.402 nan 8.370 nan 0.000 0.530 188 K N -0.174 120.280 120.400 0.091 0.000 2.358 188 K HA 0.245 4.569 4.320 0.006 0.000 0.200 188 K C 0.227 176.941 176.600 0.189 0.000 1.030 188 K CA -0.140 56.245 56.287 0.163 0.000 1.097 188 K CB 1.354 34.043 32.500 0.315 0.000 0.862 188 K HN 0.087 nan 8.250 nan 0.000 0.534 189 I N 2.514 123.156 120.570 0.120 0.000 2.325 189 I HA 0.100 4.273 4.170 0.006 0.000 0.291 189 I C -0.455 175.692 176.117 0.050 0.000 1.019 189 I CA -0.726 60.637 61.300 0.105 0.000 1.302 189 I CB 0.796 38.851 38.000 0.091 0.000 1.401 189 I HN -0.123 nan 8.210 nan 0.000 0.485 190 I N 7.998 128.532 120.570 -0.061 0.000 2.321 190 I HA 0.204 4.377 4.170 0.006 0.000 0.291 190 I C -0.435 175.680 176.117 -0.002 0.000 0.998 190 I CA -0.851 60.406 61.300 -0.073 0.000 1.227 190 I CB 0.499 38.344 38.000 -0.259 0.000 1.368 190 I HN 0.352 nan 8.210 nan 0.000 0.466 191 Y N 7.558 127.823 120.300 -0.058 0.000 2.360 191 Y HA 0.693 5.246 4.550 0.006 0.000 0.337 191 Y C -0.738 175.098 175.900 -0.106 0.000 1.039 191 Y CA -1.178 56.887 58.100 -0.058 0.000 1.109 191 Y CB 1.725 40.257 38.460 0.119 0.000 1.201 191 Y HN 0.546 nan 8.280 nan 0.000 0.458 192 M N 9.613 128.710 119.600 -0.838 0.000 2.073 192 M HA 0.319 4.803 4.480 0.006 0.000 0.261 192 M C -2.655 173.047 176.300 -0.997 0.000 0.928 192 M CA -1.758 53.060 55.300 -0.803 0.000 1.006 192 M CB 1.943 34.190 32.600 -0.589 0.000 1.893 192 M HN 0.396 nan 8.290 nan 0.000 0.440 193 P HA 0.412 nan 4.420 nan 0.000 0.276 193 P C -1.147 175.751 177.300 -0.671 0.000 1.252 193 P CA -0.094 62.674 63.100 -0.553 0.000 0.802 193 P CB 0.842 32.386 31.700 -0.260 0.000 1.035 194 F N -0.539 119.407 119.950 -0.007 0.000 2.607 194 F HA 0.134 4.665 4.527 0.006 0.000 0.322 194 F C 1.223 177.043 175.800 0.033 0.000 1.176 194 F CA -0.469 57.548 58.000 0.028 0.000 0.977 194 F CB 1.394 40.431 39.000 0.061 0.000 1.242 194 F HN 0.179 nan 8.300 nan 0.000 0.465 195 D N 1.772 122.290 120.400 0.196 0.000 2.973 195 D HA -0.280 4.363 4.640 0.006 0.000 0.203 195 D C 0.240 176.614 176.300 0.124 0.000 1.096 195 D CA 2.643 56.724 54.000 0.134 0.000 0.876 195 D CB -0.175 40.704 40.800 0.132 0.000 0.979 195 D HN 0.699 nan 8.370 nan 0.000 0.495 196 N N -2.440 116.351 118.700 0.151 0.000 2.745 196 N HA 0.102 4.845 4.740 0.006 0.000 0.256 196 N C 0.063 175.612 175.510 0.065 0.000 1.268 196 N CA -0.424 52.678 53.050 0.086 0.000 0.887 196 N CB 1.229 39.746 38.487 0.051 0.000 1.575 196 N HN -0.060 nan 8.380 nan 0.000 0.496 197 E N 0.943 121.160 120.200 0.029 0.000 2.049 197 E HA -0.285 4.068 4.350 0.006 0.000 0.198 197 E C 0.857 177.463 176.600 0.011 0.000 1.007 197 E CA 1.571 57.977 56.400 0.009 0.000 0.809 197 E CB -0.008 29.697 29.700 0.008 0.000 0.749 197 E HN 0.563 nan 8.360 nan 0.000 0.450 198 K N 0.167 120.588 120.400 0.034 0.000 2.052 198 K HA -0.283 4.041 4.320 0.006 0.000 0.215 198 K C 2.275 178.972 176.600 0.162 0.000 1.053 198 K CA 2.157 58.532 56.287 0.147 0.000 0.934 198 K CB -0.284 32.242 32.500 0.042 0.000 0.717 198 K HN 0.237 nan 8.250 nan 0.000 0.450 199 E N 0.509 120.751 120.200 0.070 0.000 2.077 199 E HA -0.192 4.162 4.350 0.006 0.000 0.193 199 E C 1.908 178.392 176.600 -0.194 0.000 0.989 199 E CA 1.002 57.437 56.400 0.058 0.000 0.800 199 E CB -0.070 29.731 29.700 0.168 0.000 0.746 199 E HN 0.172 nan 8.360 nan 0.000 0.452 200 L N 0.558 121.475 121.223 -0.509 0.000 2.017 200 L HA -0.154 4.190 4.340 0.006 0.000 0.208 200 L C 1.825 178.360 176.870 -0.558 0.000 1.073 200 L CA 1.751 55.869 54.840 -1.204 0.000 0.745 200 L CB -0.848 40.701 42.059 -0.850 0.000 0.894 200 L HN 0.181 nan 8.230 nan 0.000 0.432 201 L N -1.245 119.837 121.223 -0.236 0.000 2.046 201 L HA -0.192 4.151 4.340 0.006 0.000 0.208 201 L C 2.674 179.430 176.870 -0.190 0.000 1.077 201 L CA 1.270 56.031 54.840 -0.131 0.000 0.747 201 L CB -0.674 41.415 42.059 0.050 0.000 0.896 201 L HN 0.364 nan 8.230 nan 0.000 0.432 202 M N -0.274 119.215 119.600 -0.186 0.000 2.175 202 M HA -0.182 4.302 4.480 0.006 0.000 0.264 202 M C 2.137 178.372 176.300 -0.109 0.000 1.063 202 M CA 1.604 56.767 55.300 -0.228 0.000 1.119 202 M CB -0.710 31.821 32.600 -0.114 0.000 1.377 202 M HN 0.126 nan 8.290 nan 0.000 0.415 203 E N -0.796 119.375 120.200 -0.048 0.000 2.107 203 E HA -0.184 4.169 4.350 0.006 0.000 0.191 203 E C 1.858 178.537 176.600 0.131 0.000 0.982 203 E CA 1.134 57.599 56.400 0.109 0.000 0.809 203 E CB -0.551 29.319 29.700 0.283 0.000 0.756 203 E HN 0.498 nan 8.360 nan 0.000 0.459 204 Y N 0.561 120.729 120.300 -0.219 0.000 2.224 204 Y HA -0.111 4.443 4.550 0.006 0.000 0.289 204 Y C 1.954 177.781 175.900 -0.121 0.000 1.146 204 Y CA 1.496 59.347 58.100 -0.415 0.000 1.182 204 Y CB -0.203 37.822 38.460 -0.726 0.000 0.983 204 Y HN 0.037 nan 8.280 nan 0.000 0.524 205 L N -0.230 120.868 121.223 -0.209 0.000 2.093 205 L HA -0.245 4.098 4.340 0.006 0.000 0.208 205 L C 1.962 178.750 176.870 -0.136 0.000 1.085 205 L CA 1.745 56.427 54.840 -0.263 0.000 0.755 205 L CB -0.565 41.314 42.059 -0.301 0.000 0.904 205 L HN 0.316 nan 8.230 nan 0.000 0.435 206 N N -0.594 118.067 118.700 -0.064 0.000 2.270 206 N HA -0.196 4.547 4.740 0.006 0.000 0.181 206 N C 1.759 177.277 175.510 0.014 0.000 1.016 206 N CA 0.772 53.814 53.050 -0.014 0.000 0.870 206 N CB -0.019 38.483 38.487 0.026 0.000 0.979 206 N HN 0.217 nan 8.380 nan 0.000 0.431 207 F N 0.685 120.564 119.950 -0.119 0.000 2.186 207 F HA -0.125 4.406 4.527 0.006 0.000 0.299 207 F C 2.081 177.736 175.800 -0.242 0.000 1.090 207 F CA 0.956 58.864 58.000 -0.153 0.000 1.307 207 F CB -0.179 38.777 39.000 -0.074 0.000 1.019 207 F HN 0.160 nan 8.300 nan 0.000 0.489 208 W N 1.737 122.718 121.300 -0.532 0.000 2.436 208 W HA -0.133 4.530 4.660 0.006 0.000 0.284 208 W C 2.038 178.305 176.519 -0.421 0.000 1.225 208 W CA 1.611 58.600 57.345 -0.594 0.000 1.271 208 W CB -0.520 28.614 29.460 -0.542 0.000 1.114 208 W HN 0.231 nan 8.180 nan 0.000 0.559 209 Q N -0.276 119.503 119.800 -0.036 0.000 2.079 209 Q HA -0.223 4.121 4.340 0.006 0.000 0.200 209 Q C 2.298 178.196 176.000 -0.171 0.000 0.974 209 Q CA 1.335 57.104 55.803 -0.058 0.000 0.840 209 Q CB -0.162 28.552 28.738 -0.040 0.000 0.898 209 Q HN 0.178 nan 8.270 nan 0.000 0.430 210 Q N 0.334 119.995 119.800 -0.232 0.000 2.172 210 Q HA -0.057 4.286 4.340 0.006 0.000 0.200 210 Q C 0.288 176.075 176.000 -0.355 0.000 0.964 210 Q CA 1.174 56.827 55.803 -0.250 0.000 0.855 210 Q CB 0.255 28.861 28.738 -0.219 0.000 0.918 210 Q HN 0.130 nan 8.270 nan 0.000 0.444 211 K N 0.677 120.739 120.400 -0.563 0.000 3.163 211 K HA 0.233 4.556 4.320 0.006 0.000 0.186 211 K C -0.931 175.285 176.600 -0.640 0.000 1.111 211 K CA -0.082 55.841 56.287 -0.606 0.000 0.918 211 K CB 1.180 33.171 32.500 -0.847 0.000 1.059 211 K HN -0.146 nan 8.250 nan 0.000 0.558 212 T N 3.188 117.427 114.554 -0.525 0.000 2.799 212 T HA 0.127 4.480 4.350 0.006 0.000 0.296 212 T C -2.304 172.082 174.700 -0.523 0.000 0.947 212 T CA -1.165 60.545 62.100 -0.649 0.000 1.141 212 T CB 0.410 69.055 68.868 -0.373 0.000 0.891 212 T HN 0.062 nan 8.240 nan 0.000 0.533 213 P HA 0.137 nan 4.420 nan 0.000 0.269 213 P C 0.388 177.562 177.300 -0.209 0.000 1.209 213 P CA -0.251 62.617 63.100 -0.386 0.000 0.776 213 P CB 0.667 32.085 31.700 -0.470 0.000 0.876 214 V N 2.106 121.964 119.914 -0.093 0.000 2.599 214 V HA 0.081 4.204 4.120 0.006 0.000 0.237 214 V C 0.930 177.038 176.094 0.024 0.000 1.081 214 V CA 0.973 63.266 62.300 -0.013 0.000 1.107 214 V CB -0.184 31.655 31.823 0.026 0.000 0.808 214 V HN 0.383 nan 8.190 nan 0.000 0.486 215 I N 2.455 123.048 120.570 0.039 0.000 2.315 215 I HA 0.408 4.581 4.170 0.006 0.000 0.291 215 I C -0.631 175.535 176.117 0.082 0.000 1.006 215 I CA -0.365 60.978 61.300 0.072 0.000 1.265 215 I CB 1.057 39.113 38.000 0.093 0.000 1.387 215 I HN 0.098 nan 8.210 nan 0.000 0.475 216 L N 6.979 128.275 121.223 0.122 0.000 2.333 216 L HA 0.707 5.050 4.340 0.006 0.000 0.280 216 L C -0.147 176.877 176.870 0.257 0.000 1.004 216 L CA 0.475 55.416 54.840 0.169 0.000 0.820 216 L CB 1.763 43.936 42.059 0.191 0.000 1.247 216 L HN 0.739 nan 8.230 nan 0.000 0.416 217 T N 2.483 117.220 114.554 0.304 0.000 2.590 217 T HA 0.943 5.296 4.350 0.006 0.000 0.282 217 T C -0.497 174.413 174.700 0.350 0.000 0.989 217 T CA -0.058 62.242 62.100 0.332 0.000 1.091 217 T CB 1.052 70.132 68.868 0.352 0.000 1.460 217 T HN 1.397 nan 8.240 nan 0.000 0.499 218 G N -0.172 108.829 108.800 0.334 0.000 2.343 218 G HA2 0.053 4.016 3.960 0.006 0.000 0.562 218 G HA3 0.053 4.016 3.960 0.006 0.000 0.562 218 G C -1.758 173.353 174.900 0.350 0.000 1.269 218 G CA -0.289 44.989 45.100 0.297 0.000 1.011 218 G HN 0.753 nan 8.290 nan 0.000 0.498 219 W N 1.892 123.247 121.300 0.091 0.000 2.311 219 W HA 0.488 5.152 4.660 0.006 0.000 0.317 219 W C 0.718 177.281 176.519 0.073 0.000 1.065 219 W CA 0.286 57.686 57.345 0.092 0.000 1.364 219 W CB 0.603 30.093 29.460 0.050 0.000 1.233 219 W HN 0.993 nan 8.180 nan 0.000 0.409 220 N N 3.867 122.466 118.700 -0.168 0.000 2.861 220 N HA -0.216 4.527 4.740 0.006 0.000 0.247 220 N C 0.041 175.589 175.510 0.063 0.000 1.117 220 N CA 0.889 53.866 53.050 -0.122 0.000 0.703 220 N CB -1.163 37.283 38.487 -0.068 0.000 1.052 220 N HN 0.272 nan 8.380 nan 0.000 0.555 221 V N -0.661 119.290 119.914 0.061 0.000 3.354 221 V HA 0.114 4.237 4.120 0.006 0.000 0.258 221 V C 1.821 177.994 176.094 0.131 0.000 1.159 221 V CA 1.425 63.785 62.300 0.101 0.000 1.125 221 V CB 0.039 31.937 31.823 0.125 0.000 0.774 221 V HN 0.396 nan 8.190 nan 0.000 0.464 222 E N 0.041 120.288 120.200 0.077 0.000 2.170 222 E HA -0.092 4.261 4.350 0.006 0.000 0.191 222 E C 2.146 178.781 176.600 0.058 0.000 0.981 222 E CA 1.353 57.787 56.400 0.056 0.000 0.830 222 E CB 0.168 29.858 29.700 -0.018 0.000 0.775 222 E HN 0.750 nan 8.360 nan 0.000 0.470 223 S N -1.180 114.565 115.700 0.075 0.000 2.502 223 S HA 0.084 4.558 4.470 0.006 0.000 0.215 223 S C 1.250 175.998 174.600 0.248 0.000 1.009 223 S CA -0.365 57.896 58.200 0.103 0.000 0.908 223 S CB 0.167 63.394 63.200 0.044 0.000 0.801 223 S HN 0.201 nan 8.310 nan 0.000 0.505 224 F N 1.440 121.458 119.950 0.113 0.000 2.294 224 F HA 0.619 5.150 4.527 0.006 0.000 0.241 224 F C 2.408 178.301 175.800 0.156 0.000 1.009 224 F CA 0.408 58.513 58.000 0.174 0.000 1.165 224 F CB -0.511 38.602 39.000 0.190 0.000 1.445 224 F HN 0.128 nan 8.300 nan 0.000 0.632 225 A N 1.511 124.381 122.820 0.084 0.000 1.859 225 A HA -0.208 4.115 4.320 0.006 0.000 0.217 225 A C 2.145 179.767 177.584 0.063 0.000 1.198 225 A CA 2.463 54.435 52.037 -0.108 0.000 0.629 225 A CB -1.488 17.342 19.000 -0.284 0.000 0.830 225 A HN 0.546 nan 8.150 nan 0.000 0.446 226 I N 0.453 121.155 120.570 0.219 0.000 2.076 226 I HA -0.190 3.984 4.170 0.006 0.000 0.237 226 I C -0.294 175.934 176.117 0.185 0.000 1.059 226 I CA 1.966 63.454 61.300 0.313 0.000 1.317 226 I CB -1.186 36.988 38.000 0.290 0.000 1.037 226 I HN 0.297 nan 8.210 nan 0.000 0.398 227 P HA -0.227 nan 4.420 nan 0.000 0.220 227 P C 1.435 178.777 177.300 0.070 0.000 1.148 227 P CA 1.702 64.852 63.100 0.083 0.000 0.803 227 P CB -0.157 31.570 31.700 0.046 0.000 0.782 228 Y N 1.497 121.715 120.300 -0.138 0.000 2.206 228 Y HA -0.097 4.457 4.550 0.006 0.000 0.292 228 Y C 2.433 178.280 175.900 -0.089 0.000 1.123 228 Y CA 1.184 59.153 58.100 -0.219 0.000 1.142 228 Y CB -0.865 37.229 38.460 -0.609 0.000 1.006 228 Y HN -0.199 nan 8.280 nan 0.000 0.518 229 V N -0.348 119.691 119.914 0.209 0.000 2.667 229 V HA -0.195 3.928 4.120 0.006 0.000 0.252 229 V C 1.893 178.044 176.094 0.094 0.000 1.065 229 V CA 1.804 64.204 62.300 0.166 0.000 1.083 229 V CB -1.044 30.875 31.823 0.159 0.000 0.692 229 V HN 0.508 nan 8.190 nan 0.000 0.468 230 Y N 2.135 122.427 120.300 -0.014 0.000 2.090 230 Y HA -0.132 4.421 4.550 0.006 0.000 0.274 230 Y C 2.611 178.475 175.900 -0.059 0.000 1.110 230 Y CA 2.412 60.481 58.100 -0.051 0.000 1.092 230 Y CB -0.639 37.798 38.460 -0.038 0.000 0.992 230 Y HN 0.273 nan 8.280 nan 0.000 0.479 231 N N 0.492 119.234 118.700 0.071 0.000 2.184 231 N HA -0.243 4.500 4.740 0.006 0.000 0.190 231 N C 1.941 177.349 175.510 -0.170 0.000 1.011 231 N CA 1.587 54.590 53.050 -0.078 0.000 0.867 231 N CB -0.415 38.028 38.487 -0.074 0.000 0.993 231 N HN 0.304 nan 8.380 nan 0.000 0.433 232 R N 1.054 121.463 120.500 -0.152 0.000 2.062 232 R HA 0.122 4.466 4.340 0.006 0.000 0.231 232 R C 2.208 178.488 176.300 -0.033 0.000 1.136 232 R CA 0.950 56.996 56.100 -0.090 0.000 0.948 232 R CB -0.616 29.711 30.300 0.044 0.000 0.845 232 R HN 0.183 nan 8.270 nan 0.000 0.430 233 I N 0.741 121.302 120.570 -0.014 0.000 2.361 233 I HA -0.242 3.931 4.170 0.006 0.000 0.251 233 I C 2.326 178.449 176.117 0.011 0.000 1.133 233 I CA 1.416 62.776 61.300 0.101 0.000 1.413 233 I CB -0.252 37.711 38.000 -0.063 0.000 1.073 233 I HN 0.241 nan 8.210 nan 0.000 0.424 234 K N 0.910 121.190 120.400 -0.200 0.000 2.148 234 K HA -0.161 4.163 4.320 0.006 0.000 0.204 234 K C 1.726 178.252 176.600 -0.124 0.000 1.050 234 K CA 1.433 57.584 56.287 -0.227 0.000 0.942 234 K CB 0.046 32.321 32.500 -0.375 0.000 0.724 234 K HN 0.228 nan 8.250 nan 0.000 0.446 235 N N 0.323 118.952 118.700 -0.117 0.000 2.416 235 N HA 0.011 4.754 4.740 0.006 0.000 0.177 235 N C 1.500 176.926 175.510 -0.139 0.000 1.036 235 N CA 0.851 53.833 53.050 -0.115 0.000 0.901 235 N CB 0.216 38.632 38.487 -0.118 0.000 0.976 235 N HN 0.274 nan 8.380 nan 0.000 0.444 236 I N -1.560 118.909 120.570 -0.168 0.000 3.339 236 I HA 0.053 4.227 4.170 0.006 0.000 0.285 236 I C 0.516 176.331 176.117 -0.504 0.000 1.201 236 I CA 0.531 61.611 61.300 -0.366 0.000 1.434 236 I CB 0.311 38.013 38.000 -0.497 0.000 1.152 236 I HN -0.091 nan 8.210 nan 0.000 0.443 237 F N 0.329 120.216 119.950 -0.104 0.000 2.752 237 F HA 0.482 5.013 4.527 0.006 0.000 0.310 237 F C 1.005 176.745 175.800 -0.101 0.000 1.097 237 F CA 0.201 58.144 58.000 -0.096 0.000 1.238 237 F CB 0.576 39.514 39.000 -0.103 0.000 1.061 237 F HN -0.017 nan 8.300 nan 0.000 0.591 238 G N 0.765 109.597 108.800 0.052 0.000 2.587 238 G HA2 -0.172 3.791 3.960 0.006 0.000 0.686 238 G HA3 -0.172 3.791 3.960 0.006 0.000 0.686 238 G C 0.090 174.951 174.900 -0.065 0.000 1.236 238 G CA -0.374 44.715 45.100 -0.018 0.000 0.820 238 G HN 0.133 nan 8.290 nan 0.000 0.645 239 E N -0.084 120.067 120.200 -0.083 0.000 2.065 239 E HA -0.156 4.197 4.350 0.006 0.000 0.201 239 E C 2.798 179.345 176.600 -0.089 0.000 1.016 239 E CA 2.243 58.581 56.400 -0.103 0.000 0.818 239 E CB -0.173 29.498 29.700 -0.048 0.000 0.749 239 E HN 0.489 nan 8.360 nan 0.000 0.453 240 S N -0.812 114.855 115.700 -0.056 0.000 2.372 240 S HA -0.227 4.246 4.470 0.006 0.000 0.227 240 S C 2.055 176.611 174.600 -0.073 0.000 1.044 240 S CA 1.748 59.919 58.200 -0.049 0.000 1.050 240 S CB -0.440 62.741 63.200 -0.033 0.000 0.901 240 S HN 0.355 nan 8.310 nan 0.000 0.447 241 T N 1.514 116.018 114.554 -0.083 0.000 2.777 241 T HA 0.037 4.390 4.350 0.006 0.000 0.266 241 T C 2.025 176.609 174.700 -0.193 0.000 1.040 241 T CA 1.111 63.128 62.100 -0.137 0.000 1.141 241 T CB -0.446 68.345 68.868 -0.129 0.000 0.868 241 T HN 0.447 nan 8.240 nan 0.000 0.444 242 A N 2.063 124.755 122.820 -0.214 0.000 1.917 242 A HA -0.161 4.162 4.320 0.006 0.000 0.219 242 A C 2.124 179.604 177.584 -0.174 0.000 1.182 242 A CA 1.476 53.313 52.037 -0.334 0.000 0.633 242 A CB -0.413 18.203 19.000 -0.640 0.000 0.819 242 A HN 0.437 nan 8.150 nan 0.000 0.448 243 K N -0.393 119.963 120.400 -0.074 0.000 2.519 243 K HA -0.091 4.232 4.320 0.006 0.000 0.196 243 K C 1.760 178.348 176.600 -0.020 0.000 1.041 243 K CA 0.566 56.871 56.287 0.029 0.000 0.954 243 K CB -0.198 32.309 32.500 0.011 0.000 0.774 243 K HN 0.448 nan 8.250 nan 0.000 0.480 244 R N 0.842 121.285 120.500 -0.096 0.000 2.159 244 R HA -0.066 4.278 4.340 0.006 0.000 0.237 244 R C 2.194 178.404 176.300 -0.150 0.000 1.131 244 R CA 0.808 56.837 56.100 -0.118 0.000 0.982 244 R CB -0.521 29.671 30.300 -0.180 0.000 0.868 244 R HN 0.240 nan 8.270 nan 0.000 0.453 245 L N 0.552 121.625 121.223 -0.252 0.000 2.349 245 L HA -0.089 4.254 4.340 0.006 0.000 0.220 245 L C 1.242 178.169 176.870 0.095 0.000 1.130 245 L CA 0.579 55.182 54.840 -0.396 0.000 0.791 245 L CB -0.238 41.606 42.059 -0.357 0.000 0.918 245 L HN -0.032 nan 8.230 nan 0.000 0.444 246 S N -0.396 115.361 115.700 0.095 0.000 2.457 246 S HA 0.258 4.731 4.470 0.006 0.000 0.289 246 S C -1.368 173.265 174.600 0.055 0.000 1.163 246 S CA -1.629 56.645 58.200 0.122 0.000 1.078 246 S CB 1.134 64.397 63.200 0.106 0.000 0.987 246 S HN -0.064 nan 8.310 nan 0.000 0.482 247 P HA -0.077 nan 4.420 nan 0.000 0.225 247 P C 0.424 177.599 177.300 -0.208 0.000 1.148 247 P CA 1.127 64.133 63.100 -0.157 0.000 0.779 247 P CB -0.002 31.529 31.700 -0.282 0.000 0.780 248 H N -1.530 117.566 119.070 0.043 0.000 2.622 248 H HA 0.310 4.869 4.556 0.006 0.000 0.269 248 H C 0.675 175.918 175.328 -0.142 0.000 0.977 248 H CA -0.019 55.975 56.048 -0.089 0.000 1.179 248 H CB 0.265 29.876 29.762 -0.252 0.000 1.458 248 H HN -0.043 nan 8.280 nan 0.000 0.531 249 R N -0.077 120.434 120.500 0.017 0.000 3.872 249 R HA -0.126 4.217 4.340 0.006 0.000 0.341 249 R C -0.220 176.037 176.300 -0.072 0.000 1.172 249 R CA 0.522 56.610 56.100 -0.021 0.000 0.901 249 R CB -1.212 29.072 30.300 -0.027 0.000 1.422 249 R HN 0.099 nan 8.270 nan 0.000 0.523 250 K N 0.795 121.140 120.400 -0.091 0.000 2.376 250 K HA 0.415 4.738 4.320 0.006 0.000 0.257 250 K C -0.368 176.143 176.600 -0.150 0.000 0.939 250 K CA 0.022 56.162 56.287 -0.246 0.000 0.809 250 K CB 1.537 33.698 32.500 -0.565 0.000 1.121 250 K HN 0.166 nan 8.250 nan 0.000 0.425 251 T N 0.353 114.829 114.554 -0.129 0.000 2.930 251 T HA 0.557 4.910 4.350 0.006 0.000 0.290 251 T C -0.504 174.132 174.700 -0.107 0.000 1.052 251 T CA -0.938 61.134 62.100 -0.047 0.000 1.017 251 T CB 2.106 70.930 68.868 -0.073 0.000 1.137 251 T HN 0.570 nan 8.240 nan 0.000 0.511 252 R N 0.784 121.275 120.500 -0.014 0.000 2.686 252 R HA 0.654 4.997 4.340 0.006 0.000 0.286 252 R C -1.765 174.492 176.300 -0.072 0.000 0.969 252 R CA -0.818 55.270 56.100 -0.021 0.000 0.898 252 R CB 2.063 32.415 30.300 0.088 0.000 1.183 252 R HN 0.623 nan 8.270 nan 0.000 0.456 253 V N 4.073 123.950 119.914 -0.062 0.000 2.304 253 V HA 0.315 4.439 4.120 0.006 0.000 0.278 253 V C -0.350 175.725 176.094 -0.031 0.000 1.018 253 V CA -0.825 61.437 62.300 -0.063 0.000 0.814 253 V CB 1.024 32.827 31.823 -0.032 0.000 1.021 253 V HN 0.630 nan 8.190 nan 0.000 0.440 254 K N 3.260 123.642 120.400 -0.031 0.000 2.185 254 K HA 0.525 4.849 4.320 0.006 0.000 0.269 254 K C 0.702 177.288 176.600 -0.023 0.000 0.987 254 K CA -0.542 55.731 56.287 -0.023 0.000 0.865 254 K CB 1.873 34.359 32.500 -0.024 0.000 1.090 254 K HN 0.373 nan 8.250 nan 0.000 0.450 255 V N 2.001 121.905 119.914 -0.017 0.000 2.379 255 V HA 0.072 4.195 4.120 0.006 0.000 0.243 255 V C 0.753 176.839 176.094 -0.012 0.000 1.035 255 V CA 0.061 62.353 62.300 -0.012 0.000 1.035 255 V CB -0.908 30.911 31.823 -0.007 0.000 0.673 255 V HN 0.820 nan 8.190 nan 0.000 0.457 256 I N 1.838 122.398 120.570 -0.016 0.000 3.038 256 I HA -0.243 3.930 4.170 0.006 0.000 0.126 256 I C 0.653 176.764 176.117 -0.010 0.000 0.918 256 I CA 1.150 62.439 61.300 -0.018 0.000 2.773 256 I CB -1.057 36.925 38.000 -0.031 0.000 0.820 256 I HN 0.670 nan 8.210 nan 0.000 0.349 257 E N 5.130 125.329 120.200 -0.001 0.000 3.269 257 E HA 0.301 4.655 4.350 0.006 0.000 0.221 257 E C 0.396 177.009 176.600 0.021 0.000 1.113 257 E CA -0.388 56.017 56.400 0.008 0.000 1.385 257 E CB 0.068 29.774 29.700 0.010 0.000 1.345 257 E HN 0.753 nan 8.360 nan 0.000 0.435 258 N N 0.056 118.767 118.700 0.018 0.000 6.111 258 N HA -0.270 4.474 4.740 0.006 0.000 0.392 258 N C 0.648 176.195 175.510 0.063 0.000 0.951 258 N CA 0.976 54.048 53.050 0.036 0.000 2.173 258 N CB -0.051 38.461 38.487 0.042 0.000 0.679 258 N HN 0.221 nan 8.380 nan 0.000 0.604 259 M N -0.552 119.100 119.600 0.087 0.000 2.394 259 M HA -0.008 4.475 4.480 0.006 0.000 0.264 259 M C 0.159 176.575 176.300 0.194 0.000 1.073 259 M CA 1.536 56.891 55.300 0.092 0.000 1.111 259 M CB -1.185 31.444 32.600 0.048 0.000 1.401 259 M HN 0.682 nan 8.290 nan 0.000 0.448 260 Y N -2.103 118.195 120.300 -0.003 0.000 2.265 260 Y HA 0.562 5.115 4.550 0.006 0.000 0.324 260 Y C -0.530 175.377 175.900 0.013 0.000 1.197 260 Y CA -0.691 57.411 58.100 0.004 0.000 1.318 260 Y CB 0.135 38.597 38.460 0.004 0.000 1.223 260 Y HN 0.014 nan 8.280 nan 0.000 0.419 261 G N 1.516 110.292 108.800 -0.041 0.000 3.008 261 G HA2 0.513 4.476 3.960 0.006 0.000 0.148 261 G HA3 0.513 4.476 3.960 0.006 0.000 0.148 261 G C -0.635 174.239 174.900 -0.044 0.000 1.184 261 G CA -0.548 44.488 45.100 -0.107 0.000 1.087 261 G HN 1.030 nan 8.290 nan 0.000 0.602 262 S N -0.224 115.466 115.700 -0.016 0.000 2.530 262 S HA 0.291 4.764 4.470 0.006 0.000 0.203 262 S C -0.339 174.269 174.600 0.013 0.000 0.787 262 S CA -0.589 57.611 58.200 -0.000 0.000 1.015 262 S CB 0.066 63.264 63.200 -0.003 0.000 1.687 262 S HN 0.524 nan 8.310 nan 0.000 0.484 263 R N 2.096 122.605 120.500 0.015 0.000 2.288 263 R HA 0.314 4.658 4.340 0.006 0.000 0.330 263 R C -0.460 175.844 176.300 0.007 0.000 1.069 263 R CA 0.231 56.344 56.100 0.022 0.000 0.941 263 R CB 0.369 30.680 30.300 0.017 0.000 0.998 263 R HN 0.580 nan 8.270 nan 0.000 0.452 264 E N 2.483 122.687 120.200 0.008 0.000 2.202 264 E HA 0.329 4.682 4.350 0.006 0.000 0.272 264 E C -0.430 176.161 176.600 -0.015 0.000 0.951 264 E CA -0.990 55.406 56.400 -0.008 0.000 0.813 264 E CB 1.122 30.816 29.700 -0.010 0.000 1.151 264 E HN 0.326 nan 8.360 nan 0.000 0.398 265 I N -0.510 120.041 120.570 -0.032 0.000 2.428 265 I HA 0.424 4.597 4.170 0.006 0.000 0.296 265 I C -0.488 175.591 176.117 -0.063 0.000 0.985 265 I CA -0.725 60.550 61.300 -0.041 0.000 1.260 265 I CB 0.431 38.401 38.000 -0.051 0.000 1.389 265 I HN 0.487 nan 8.210 nan 0.000 0.484 266 I N 4.579 125.101 120.570 -0.081 0.000 2.404 266 I HA 0.422 4.596 4.170 0.006 0.000 0.293 266 I C -0.397 175.661 176.117 -0.099 0.000 0.992 266 I CA -0.279 60.926 61.300 -0.159 0.000 1.149 266 I CB 1.870 39.698 38.000 -0.286 0.000 1.315 266 I HN 0.667 nan 8.210 nan 0.000 0.446 267 T N 7.224 121.736 114.554 -0.070 0.000 2.797 267 T HA 0.577 4.930 4.350 0.006 0.000 0.279 267 T C -0.317 174.433 174.700 0.083 0.000 0.991 267 T CA -0.521 61.591 62.100 0.020 0.000 0.979 267 T CB 1.189 70.104 68.868 0.078 0.000 0.943 267 T HN 0.262 nan 8.240 nan 0.000 0.444 268 L N 3.491 124.779 121.223 0.109 0.000 2.295 268 L HA 0.477 4.820 4.340 0.006 0.000 0.281 268 L C -0.456 176.562 176.870 0.247 0.000 1.018 268 L CA -0.911 54.035 54.840 0.177 0.000 0.841 268 L CB 0.370 42.527 42.059 0.163 0.000 1.218 268 L HN 0.529 nan 8.230 nan 0.000 0.424 269 F N 2.580 122.555 119.950 0.042 0.000 2.602 269 F HA 0.286 4.816 4.527 0.006 0.000 0.385 269 F C 1.473 177.360 175.800 0.144 0.000 1.063 269 F CA 0.926 58.978 58.000 0.086 0.000 1.233 269 F CB 0.412 39.444 39.000 0.054 0.000 1.067 269 F HN 0.739 nan 8.300 nan 0.000 0.564 270 G N 3.416 112.352 108.800 0.227 0.000 2.134 270 G HA2 -0.223 3.740 3.960 0.006 0.000 0.209 270 G HA3 -0.223 3.740 3.960 0.006 0.000 0.209 270 G C -0.285 174.676 174.900 0.102 0.000 0.993 270 G CA -0.282 44.954 45.100 0.226 0.000 0.669 270 G HN 0.567 nan 8.290 nan 0.000 0.519 271 I N 0.605 121.231 120.570 0.094 0.000 2.647 271 I HA 0.466 4.639 4.170 0.006 0.000 0.295 271 I C -0.284 175.877 176.117 0.074 0.000 1.078 271 I CA -0.857 60.495 61.300 0.086 0.000 1.048 271 I CB 2.376 40.458 38.000 0.138 0.000 1.239 271 I HN 0.010 nan 8.210 nan 0.000 0.421 272 S N 4.359 120.103 115.700 0.072 0.000 2.474 272 S HA 0.338 4.811 4.470 0.006 0.000 0.320 272 S C -0.252 174.410 174.600 0.103 0.000 1.067 272 S CA -0.488 57.754 58.200 0.070 0.000 1.127 272 S CB 0.866 64.096 63.200 0.049 0.000 0.971 272 S HN 0.272 nan 8.310 nan 0.000 0.472 273 V N 6.114 126.101 119.914 0.121 0.000 2.427 273 V HA 0.238 4.362 4.120 0.006 0.000 0.268 273 V C -0.070 176.143 176.094 0.197 0.000 1.046 273 V CA -0.069 62.328 62.300 0.161 0.000 0.970 273 V CB 0.302 32.215 31.823 0.151 0.000 1.001 273 V HN 0.690 nan 8.190 nan 0.000 0.476 274 L N 4.527 125.882 121.223 0.220 0.000 2.356 274 L HA 0.412 4.756 4.340 0.006 0.000 0.264 274 L C 0.082 177.111 176.870 0.265 0.000 1.029 274 L CA -0.498 54.510 54.840 0.280 0.000 0.897 274 L CB 1.098 43.281 42.059 0.208 0.000 1.256 274 L HN 0.506 nan 8.230 nan 0.000 0.444 275 D N 0.901 121.417 120.400 0.193 0.000 2.434 275 D HA -0.106 4.538 4.640 0.006 0.000 0.252 275 D C 0.756 177.125 176.300 0.115 0.000 1.185 275 D CA 0.428 54.493 54.000 0.107 0.000 0.886 275 D CB 0.797 41.566 40.800 -0.051 0.000 1.148 275 D HN 0.339 nan 8.370 nan 0.000 0.483 276 Y N 3.554 123.906 120.300 0.087 0.000 2.274 276 Y HA -0.168 4.385 4.550 0.006 0.000 0.290 276 Y C 2.245 178.120 175.900 -0.041 0.000 1.145 276 Y CA 1.037 59.235 58.100 0.164 0.000 1.203 276 Y CB 0.013 38.675 38.460 0.337 0.000 0.984 276 Y HN 0.587 nan 8.280 nan 0.000 0.533 277 I N -0.415 119.928 120.570 -0.379 0.000 2.361 277 I HA -0.328 3.846 4.170 0.006 0.000 0.251 277 I C 1.581 177.468 176.117 -0.383 0.000 1.133 277 I CA 1.754 62.623 61.300 -0.719 0.000 1.413 277 I CB -0.168 37.189 38.000 -1.072 0.000 1.073 277 I HN 0.218 nan 8.210 nan 0.000 0.424 278 D N 0.476 120.686 120.400 -0.317 0.000 2.137 278 D HA -0.106 4.537 4.640 0.006 0.000 0.202 278 D C 2.332 178.523 176.300 -0.181 0.000 0.970 278 D CA 1.063 54.860 54.000 -0.338 0.000 0.837 278 D CB -0.202 40.254 40.800 -0.572 0.000 0.981 278 D HN 0.360 nan 8.370 nan 0.000 0.475 279 L N 0.052 121.236 121.223 -0.064 0.000 2.013 279 L HA -0.244 4.100 4.340 0.006 0.000 0.212 279 L C 2.541 179.129 176.870 -0.469 0.000 1.073 279 L CA 1.279 55.963 54.840 -0.260 0.000 0.753 279 L CB -0.515 41.362 42.059 -0.304 0.000 0.890 279 L HN 0.075 nan 8.230 nan 0.000 0.432 280 Y N 0.870 120.989 120.300 -0.301 0.000 2.145 280 Y HA -0.291 4.262 4.550 0.006 0.000 0.286 280 Y C 2.632 178.421 175.900 -0.185 0.000 1.145 280 Y CA 1.755 59.826 58.100 -0.048 0.000 1.148 280 Y CB -0.021 38.599 38.460 0.267 0.000 0.981 280 Y HN -0.033 nan 8.280 nan 0.000 0.507 281 K N 0.021 120.338 120.400 -0.139 0.000 2.152 281 K HA -0.185 4.139 4.320 0.006 0.000 0.206 281 K C 2.197 178.519 176.600 -0.464 0.000 1.048 281 K CA 1.491 57.605 56.287 -0.287 0.000 0.933 281 K CB -0.056 32.221 32.500 -0.372 0.000 0.721 281 K HN 0.133 nan 8.250 nan 0.000 0.447 282 K N -0.626 119.395 120.400 -0.631 0.000 2.128 282 K HA 0.039 4.362 4.320 0.006 0.000 0.202 282 K C 1.341 177.383 176.600 -0.929 0.000 1.050 282 K CA 1.054 56.831 56.287 -0.850 0.000 0.966 282 K CB 0.251 32.062 32.500 -1.150 0.000 0.759 282 K HN 0.145 nan 8.250 nan 0.000 0.454 283 F N -0.066 119.473 119.950 -0.685 0.000 2.678 283 F HA 0.046 4.577 4.527 0.006 0.000 0.305 283 F C 1.953 177.486 175.800 -0.444 0.000 1.090 283 F CA -0.281 57.299 58.000 -0.699 0.000 1.272 283 F CB 0.574 38.996 39.000 -0.963 0.000 1.060 283 F HN -0.012 nan 8.300 nan 0.000 0.576 284 S N -0.612 114.895 115.700 -0.322 0.000 2.511 284 S HA 0.020 4.493 4.470 0.006 0.000 0.214 284 S C 0.607 175.254 174.600 0.079 0.000 0.997 284 S CA -0.201 57.988 58.200 -0.018 0.000 0.908 284 S CB -0.769 62.141 63.200 -0.483 0.000 0.803 284 S HN 0.263 nan 8.310 nan 0.000 0.504 285 F N 2.696 122.614 119.950 -0.054 0.000 3.004 285 F HA -0.190 4.341 4.527 0.006 0.000 0.264 285 F C 0.736 176.535 175.800 -0.001 0.000 0.979 285 F CA 0.934 58.926 58.000 -0.013 0.000 0.896 285 F CB -2.393 36.621 39.000 0.024 0.000 0.813 285 F HN 0.524 nan 8.300 nan 0.000 0.804 286 T N -2.909 111.646 114.554 0.003 0.000 2.930 286 T HA 0.696 5.050 4.350 0.006 0.000 0.290 286 T C -0.651 174.063 174.700 0.023 0.000 1.052 286 T CA -0.994 61.121 62.100 0.026 0.000 1.017 286 T CB 2.608 71.475 68.868 -0.002 0.000 1.137 286 T HN 0.138 nan 8.240 nan 0.000 0.511 287 N N 1.452 120.159 118.700 0.012 0.000 2.558 287 N HA 0.227 4.971 4.740 0.006 0.000 0.285 287 N C -1.308 174.152 175.510 -0.084 0.000 1.112 287 N CA -0.388 52.676 53.050 0.024 0.000 0.857 287 N CB 1.672 40.165 38.487 0.010 0.000 1.376 287 N HN 0.581 nan 8.380 nan 0.000 0.526 288 Q N 2.703 122.380 119.800 -0.206 0.000 2.235 288 Q HA 0.439 4.782 4.340 0.006 0.000 0.256 288 Q C -1.703 173.968 176.000 -0.548 0.000 0.951 288 Q CA -1.597 53.914 55.803 -0.487 0.000 0.890 288 Q CB 1.799 30.059 28.738 -0.796 0.000 1.279 288 Q HN 0.395 nan 8.270 nan 0.000 0.444 289 P HA -0.068 nan 4.420 nan 0.000 0.223 289 P C 0.085 176.973 177.300 -0.687 0.000 1.151 289 P CA 0.920 63.713 63.100 -0.513 0.000 0.787 289 P CB 0.495 31.957 31.700 -0.397 0.000 0.788 290 S N -1.837 113.294 115.700 -0.947 0.000 2.537 290 S HA 0.403 4.876 4.470 0.006 0.000 0.270 290 S C -1.379 172.784 174.600 -0.729 0.000 1.142 290 S CA -0.625 57.132 58.200 -0.738 0.000 0.870 290 S CB 0.394 63.182 63.200 -0.688 0.000 1.112 290 S HN -0.120 nan 8.310 nan 0.000 0.466 291 Y N 2.413 122.636 120.300 -0.130 0.000 2.722 291 Y HA 0.348 4.902 4.550 0.006 0.000 0.314 291 Y C 1.065 177.137 175.900 0.287 0.000 1.008 291 Y CA -0.414 57.742 58.100 0.093 0.000 1.294 291 Y CB 0.511 38.999 38.460 0.048 0.000 1.231 291 Y HN 0.738 nan 8.280 nan 0.000 0.558 292 S N -0.881 114.945 115.700 0.211 0.000 2.610 292 S HA 0.156 4.629 4.470 0.006 0.000 0.273 292 S C 0.993 175.546 174.600 -0.079 0.000 1.274 292 S CA -0.731 57.572 58.200 0.172 0.000 1.023 292 S CB 1.548 64.792 63.200 0.074 0.000 0.962 292 S HN 0.436 nan 8.310 nan 0.000 0.523 293 L N 1.509 122.479 121.223 -0.422 0.000 2.017 293 L HA -0.039 4.305 4.340 0.006 0.000 0.208 293 L C 1.942 178.555 176.870 -0.429 0.000 1.073 293 L CA 2.069 56.390 54.840 -0.865 0.000 0.745 293 L CB -1.214 40.308 42.059 -0.895 0.000 0.894 293 L HN 0.865 nan 8.230 nan 0.000 0.432 294 D N -1.262 118.996 120.400 -0.237 0.000 2.204 294 D HA -0.335 4.309 4.640 0.006 0.000 0.189 294 D C 2.076 178.305 176.300 -0.118 0.000 1.006 294 D CA 2.163 56.074 54.000 -0.149 0.000 0.855 294 D CB -0.408 40.355 40.800 -0.061 0.000 0.946 294 D HN 0.529 nan 8.370 nan 0.000 0.448 295 Y N 0.469 120.676 120.300 -0.155 0.000 2.181 295 Y HA -0.141 4.412 4.550 0.006 0.000 0.288 295 Y C 2.212 178.052 175.900 -0.101 0.000 1.146 295 Y CA 1.188 59.224 58.100 -0.107 0.000 1.164 295 Y CB -0.054 38.339 38.460 -0.111 0.000 0.982 295 Y HN -0.019 nan 8.280 nan 0.000 0.515 296 I N -1.080 119.492 120.570 0.004 0.000 2.500 296 I HA -0.188 3.985 4.170 0.006 0.000 0.252 296 I C 2.341 178.419 176.117 -0.064 0.000 1.142 296 I CA 1.068 62.347 61.300 -0.034 0.000 1.451 296 I CB -1.369 36.470 38.000 -0.268 0.000 1.093 296 I HN 0.162 nan 8.210 nan 0.000 0.430 297 S N 1.141 116.726 115.700 -0.191 0.000 2.359 297 S HA -0.239 4.235 4.470 0.006 0.000 0.224 297 S C 1.859 176.401 174.600 -0.098 0.000 1.035 297 S CA 1.971 60.071 58.200 -0.166 0.000 1.018 297 S CB -0.252 62.818 63.200 -0.218 0.000 0.876 297 S HN 0.613 nan 8.310 nan 0.000 0.448 298 E N 0.866 120.989 120.200 -0.129 0.000 2.204 298 E HA -0.112 4.241 4.350 0.006 0.000 0.194 298 E C 1.684 178.231 176.600 -0.088 0.000 0.989 298 E CA 0.951 57.271 56.400 -0.133 0.000 0.824 298 E CB -0.512 29.074 29.700 -0.190 0.000 0.756 298 E HN 0.532 nan 8.360 nan 0.000 0.477 299 F N 1.360 121.188 119.950 -0.203 0.000 2.074 299 F HA -0.038 4.493 4.527 0.006 0.000 0.293 299 F C 2.080 177.867 175.800 -0.022 0.000 1.116 299 F CA 1.633 59.570 58.000 -0.106 0.000 1.212 299 F CB 0.038 39.017 39.000 -0.034 0.000 0.998 299 F HN -0.051 nan 8.300 nan 0.000 0.471 300 E N 0.430 120.759 120.200 0.215 0.000 2.107 300 E HA -0.072 4.281 4.350 0.006 0.000 0.191 300 E C 2.108 178.711 176.600 0.003 0.000 0.982 300 E CA 1.329 57.811 56.400 0.136 0.000 0.809 300 E CB -0.190 29.641 29.700 0.219 0.000 0.756 300 E HN 0.490 nan 8.360 nan 0.000 0.459 301 L N -0.611 120.602 121.223 -0.018 0.000 2.701 301 L HA 0.177 4.521 4.340 0.006 0.000 0.238 301 L C -0.264 176.586 176.870 -0.034 0.000 1.106 301 L CA -0.093 54.735 54.840 -0.020 0.000 0.898 301 L CB -0.078 41.952 42.059 -0.048 0.000 1.188 301 L HN -0.019 nan 8.230 nan 0.000 0.508 302 N N -0.651 118.009 118.700 -0.067 0.000 2.741 302 N HA -0.161 4.583 4.740 0.006 0.000 0.251 302 N C -0.017 175.453 175.510 -0.067 0.000 1.112 302 N CA 0.956 53.961 53.050 -0.074 0.000 0.750 302 N CB -1.761 36.690 38.487 -0.060 0.000 1.119 302 N HN 0.358 nan 8.380 nan 0.000 0.561 303 V N -2.847 117.025 119.914 -0.071 0.000 3.170 303 V HA 0.884 5.007 4.120 0.006 0.000 0.309 303 V C 1.377 177.425 176.094 -0.076 0.000 1.071 303 V CA -0.206 62.054 62.300 -0.067 0.000 1.063 303 V CB 1.128 32.911 31.823 -0.068 0.000 1.123 303 V HN 0.145 nan 8.190 nan 0.000 0.464 304 G N 0.389 109.151 108.800 -0.064 0.000 2.599 304 G HA2 0.278 4.242 3.960 0.006 0.000 0.264 304 G HA3 0.278 4.242 3.960 0.006 0.000 0.264 304 G C 0.432 175.284 174.900 -0.080 0.000 1.200 304 G CA -0.441 44.621 45.100 -0.062 0.000 0.896 304 G HN 0.921 nan 8.290 nan 0.000 0.536 305 K N -0.971 119.387 120.400 -0.069 0.000 2.074 305 K HA -0.113 4.211 4.320 0.006 0.000 0.209 305 K C 0.360 176.903 176.600 -0.095 0.000 1.048 305 K CA 1.006 57.249 56.287 -0.073 0.000 0.926 305 K CB -0.218 32.255 32.500 -0.046 0.000 0.713 305 K HN 0.285 nan 8.250 nan 0.000 0.444 306 L N 0.533 121.708 121.223 -0.081 0.000 2.396 306 L HA -0.116 4.227 4.340 0.006 0.000 0.718 306 L C -0.795 176.076 176.870 0.001 0.000 1.257 306 L CA 0.233 54.976 54.840 -0.162 0.000 1.392 306 L CB -0.547 41.268 42.059 -0.406 0.000 2.166 306 L HN -0.046 nan 8.230 nan 0.000 0.949 307 K N 2.138 122.626 120.400 0.146 0.000 2.120 307 K HA 0.811 5.134 4.320 0.006 0.000 0.245 307 K C -0.295 176.581 176.600 0.460 0.000 1.024 307 K CA 0.214 56.612 56.287 0.186 0.000 0.906 307 K CB 0.799 33.355 32.500 0.093 0.000 1.051 307 K HN 0.550 nan 8.250 nan 0.000 0.491 308 Y N -3.125 117.275 120.300 0.166 0.000 2.765 308 Y HA 0.293 4.847 4.550 0.006 0.000 0.350 308 Y C -1.266 174.696 175.900 0.103 0.000 1.196 308 Y CA -1.196 56.997 58.100 0.154 0.000 1.119 308 Y CB 0.868 39.457 38.460 0.214 0.000 1.368 308 Y HN 0.468 nan 8.280 nan 0.000 0.463 309 D N 0.711 121.266 120.400 0.258 0.000 2.217 309 D HA 0.513 5.156 4.640 0.006 0.000 0.248 309 D C 0.328 176.755 176.300 0.213 0.000 1.008 309 D CA 0.995 55.078 54.000 0.139 0.000 0.914 309 D CB 1.980 42.839 40.800 0.098 0.000 1.182 309 D HN 1.375 nan 8.370 nan 0.000 0.451 310 G N 2.260 111.137 108.800 0.128 0.000 2.846 310 G HA2 -0.166 3.798 3.960 0.006 0.000 0.660 310 G HA3 -0.166 3.798 3.960 0.006 0.000 0.660 310 G C -2.710 172.321 174.900 0.219 0.000 1.464 310 G CA -0.790 44.397 45.100 0.146 0.000 0.891 310 G HN 0.444 nan 8.290 nan 0.000 0.552 311 P HA 0.353 nan 4.420 nan 0.000 0.281 311 P C 1.317 178.814 177.300 0.328 0.000 1.249 311 P CA -0.837 62.399 63.100 0.226 0.000 0.810 311 P CB 1.059 32.839 31.700 0.134 0.000 1.008 312 I N 1.814 122.630 120.570 0.410 0.000 2.300 312 I HA -0.259 3.914 4.170 0.006 0.000 0.252 312 I C 2.100 178.298 176.117 0.134 0.000 1.119 312 I CA 2.182 63.644 61.300 0.269 0.000 1.384 312 I CB -1.035 37.112 38.000 0.245 0.000 1.062 312 I HN 0.450 nan 8.210 nan 0.000 0.426 313 S N 1.075 116.837 115.700 0.104 0.000 2.383 313 S HA -0.181 4.293 4.470 0.006 0.000 0.229 313 S C 1.658 176.256 174.600 -0.003 0.000 1.030 313 S CA 1.204 59.421 58.200 0.028 0.000 1.002 313 S CB -0.184 63.021 63.200 0.008 0.000 0.829 313 S HN 0.588 nan 8.310 nan 0.000 0.467 314 K N 0.340 120.757 120.400 0.028 0.000 2.372 314 K HA 0.260 4.584 4.320 0.006 0.000 0.200 314 K C 1.419 178.020 176.600 0.001 0.000 1.022 314 K CA -0.166 56.126 56.287 0.007 0.000 1.125 314 K CB -0.009 32.507 32.500 0.025 0.000 0.855 314 K HN 0.248 nan 8.250 nan 0.000 0.524 315 L N 2.242 123.469 121.223 0.006 0.000 2.012 315 L HA -0.135 4.208 4.340 0.006 0.000 0.210 315 L C 2.422 179.218 176.870 -0.124 0.000 1.073 315 L CA 1.793 56.618 54.840 -0.024 0.000 0.748 315 L CB -0.375 41.664 42.059 -0.033 0.000 0.891 315 L HN 0.121 nan 8.230 nan 0.000 0.431 316 R N -0.434 119.849 120.500 -0.361 0.000 2.152 316 R HA -0.194 4.150 4.340 0.006 0.000 0.232 316 R C 2.143 178.344 176.300 -0.164 0.000 1.117 316 R CA 1.509 57.287 56.100 -0.537 0.000 0.981 316 R CB -0.150 29.557 30.300 -0.988 0.000 0.870 316 R HN 0.766 nan 8.270 nan 0.000 0.451 317 E N -0.479 119.663 120.200 -0.096 0.000 2.170 317 E HA -0.093 4.260 4.350 0.006 0.000 0.191 317 E C 1.533 178.132 176.600 -0.001 0.000 0.981 317 E CA 1.225 57.607 56.400 -0.029 0.000 0.830 317 E CB 0.048 29.743 29.700 -0.008 0.000 0.775 317 E HN 0.336 nan 8.360 nan 0.000 0.470 318 S N 0.098 115.798 115.700 0.002 0.000 2.441 318 S HA 0.027 4.500 4.470 0.006 0.000 0.224 318 S C 1.210 175.828 174.600 0.030 0.000 1.043 318 S CA 0.349 58.563 58.200 0.023 0.000 0.948 318 S CB 0.117 63.338 63.200 0.036 0.000 0.810 318 S HN 0.173 nan 8.310 nan 0.000 0.504 319 N N 0.718 119.434 118.700 0.026 0.000 2.687 319 N HA 0.135 4.878 4.740 0.006 0.000 0.275 319 N C 0.322 175.860 175.510 0.047 0.000 1.789 319 N CA -0.261 52.806 53.050 0.028 0.000 0.806 319 N CB -0.140 38.346 38.487 -0.001 0.000 1.256 319 N HN 0.485 nan 8.380 nan 0.000 0.500 320 H N 0.346 119.414 119.070 -0.002 0.000 2.460 320 H HA -0.178 4.381 4.556 0.006 0.000 0.297 320 H C 1.248 176.666 175.328 0.150 0.000 1.103 320 H CA 1.941 58.016 56.048 0.046 0.000 1.292 320 H CB 0.611 30.396 29.762 0.040 0.000 1.376 320 H HN 0.419 nan 8.280 nan 0.000 0.531 321 Q N 1.347 121.201 119.800 0.090 0.000 2.124 321 Q HA -0.155 4.189 4.340 0.006 0.000 0.202 321 Q C 2.593 178.618 176.000 0.041 0.000 0.977 321 Q CA 2.020 57.886 55.803 0.106 0.000 0.850 321 Q CB -0.333 28.429 28.738 0.041 0.000 0.901 321 Q HN 0.480 nan 8.270 nan 0.000 0.429 322 R N -1.534 118.902 120.500 -0.106 0.000 2.093 322 R HA -0.114 4.229 4.340 0.006 0.000 0.224 322 R C 2.095 178.145 176.300 -0.417 0.000 1.101 322 R CA 0.957 56.849 56.100 -0.347 0.000 0.979 322 R CB -0.508 29.516 30.300 -0.460 0.000 0.877 322 R HN 0.396 nan 8.270 nan 0.000 0.441 323 Y N 1.133 121.211 120.300 -0.370 0.000 2.102 323 Y HA -0.292 4.261 4.550 0.006 0.000 0.280 323 Y C 1.788 177.557 175.900 -0.219 0.000 1.178 323 Y CA 1.871 59.808 58.100 -0.272 0.000 1.146 323 Y CB -0.057 38.283 38.460 -0.201 0.000 0.968 323 Y HN 0.051 nan 8.280 nan 0.000 0.504 324 I N -1.176 119.268 120.570 -0.209 0.000 2.277 324 I HA -0.230 3.943 4.170 0.006 0.000 0.243 324 I C 2.458 178.381 176.117 -0.323 0.000 1.094 324 I CA 1.384 62.467 61.300 -0.362 0.000 1.393 324 I CB -1.512 36.132 38.000 -0.594 0.000 1.078 324 I HN 0.165 nan 8.210 nan 0.000 0.417 325 S N 0.303 115.936 115.700 -0.111 0.000 2.365 325 S HA -0.219 4.254 4.470 0.006 0.000 0.225 325 S C 2.066 176.733 174.600 0.111 0.000 1.039 325 S CA 1.473 59.715 58.200 0.071 0.000 1.033 325 S CB -0.512 62.802 63.200 0.191 0.000 0.887 325 S HN 0.411 nan 8.310 nan 0.000 0.447 326 Y N 1.553 121.794 120.300 -0.098 0.000 2.224 326 Y HA -0.151 4.403 4.550 0.006 0.000 0.289 326 Y C 2.842 178.651 175.900 -0.151 0.000 1.146 326 Y CA 0.659 58.689 58.100 -0.117 0.000 1.182 326 Y CB -0.300 38.073 38.460 -0.144 0.000 0.983 326 Y HN 0.371 nan 8.280 nan 0.000 0.524 327 N N 1.130 119.797 118.700 -0.055 0.000 2.166 327 N HA -0.190 4.554 4.740 0.006 0.000 0.186 327 N C 1.636 177.131 175.510 -0.024 0.000 1.019 327 N CA 1.292 54.284 53.050 -0.098 0.000 0.856 327 N CB -0.138 38.237 38.487 -0.186 0.000 0.993 327 N HN 0.345 nan 8.380 nan 0.000 0.426 328 I N 0.717 121.253 120.570 -0.056 0.000 2.252 328 I HA -0.212 3.961 4.170 0.006 0.000 0.245 328 I C 2.147 178.257 176.117 -0.012 0.000 1.102 328 I CA 0.769 62.039 61.300 -0.051 0.000 1.385 328 I CB -0.218 37.670 38.000 -0.186 0.000 1.064 328 I HN 0.089 nan 8.210 nan 0.000 0.414 329 I N 1.085 121.661 120.570 0.010 0.000 2.286 329 I HA -0.256 3.918 4.170 0.006 0.000 0.248 329 I C 2.834 178.976 176.117 0.041 0.000 1.115 329 I CA 1.179 62.505 61.300 0.044 0.000 1.392 329 I CB -0.410 37.613 38.000 0.039 0.000 1.065 329 I HN 0.173 nan 8.210 nan 0.000 0.418 330 A N 0.456 123.278 122.820 0.003 0.000 1.908 330 A HA -0.163 4.160 4.320 0.006 0.000 0.218 330 A C 2.427 180.031 177.584 0.034 0.000 1.181 330 A CA 1.838 53.858 52.037 -0.029 0.000 0.627 330 A CB -0.957 18.019 19.000 -0.040 0.000 0.818 330 A HN 0.238 nan 8.150 nan 0.000 0.445 331 V N -1.475 118.517 119.914 0.130 0.000 2.343 331 V HA -0.252 3.871 4.120 0.006 0.000 0.247 331 V C 2.377 178.619 176.094 0.247 0.000 1.051 331 V CA 2.097 64.530 62.300 0.222 0.000 1.036 331 V CB -0.963 31.081 31.823 0.369 0.000 0.654 331 V HN 0.715 nan 8.190 nan 0.000 0.451 332 Y N 1.269 121.646 120.300 0.127 0.000 2.220 332 Y HA -0.151 4.402 4.550 0.006 0.000 0.291 332 Y C 2.602 178.493 175.900 -0.015 0.000 1.129 332 Y CA 1.568 59.730 58.100 0.103 0.000 1.161 332 Y CB -0.397 38.060 38.460 -0.006 0.000 0.997 332 Y HN 0.067 nan 8.280 nan 0.000 0.522 333 R N -0.204 120.243 120.500 -0.088 0.000 2.134 333 R HA -0.198 4.146 4.340 0.006 0.000 0.248 333 R C 2.294 178.442 176.300 -0.254 0.000 1.143 333 R CA 2.033 57.998 56.100 -0.225 0.000 0.957 333 R CB -1.060 29.130 30.300 -0.183 0.000 0.867 333 R HN 0.323 nan 8.270 nan 0.000 0.441 334 V N 0.223 120.025 119.914 -0.187 0.000 2.407 334 V HA -0.217 3.906 4.120 0.006 0.000 0.248 334 V C 2.006 177.909 176.094 -0.319 0.000 1.055 334 V CA 1.308 63.468 62.300 -0.233 0.000 1.049 334 V CB -0.437 31.330 31.823 -0.092 0.000 0.662 334 V HN 0.225 nan 8.190 nan 0.000 0.455 335 L N -0.438 120.637 121.223 -0.247 0.000 2.046 335 L HA -0.195 4.148 4.340 0.006 0.000 0.208 335 L C 2.475 179.170 176.870 -0.293 0.000 1.077 335 L CA 1.814 56.500 54.840 -0.256 0.000 0.747 335 L CB -1.433 40.490 42.059 -0.227 0.000 0.896 335 L HN 0.410 nan 8.230 nan 0.000 0.432 336 Q N -0.871 118.675 119.800 -0.423 0.000 2.084 336 Q HA -0.159 4.184 4.340 0.006 0.000 0.202 336 Q C 2.344 178.215 176.000 -0.214 0.000 0.978 336 Q CA 1.346 56.924 55.803 -0.375 0.000 0.844 336 Q CB -0.031 28.421 28.738 -0.476 0.000 0.898 336 Q HN 0.466 nan 8.270 nan 0.000 0.426 337 I N 0.206 120.651 120.570 -0.209 0.000 2.353 337 I HA -0.222 3.951 4.170 0.006 0.000 0.248 337 I C 1.767 177.826 176.117 -0.096 0.000 1.119 337 I CA 1.065 62.300 61.300 -0.108 0.000 1.417 337 I CB -0.067 37.897 38.000 -0.059 0.000 1.078 337 I HN 0.178 nan 8.210 nan 0.000 0.421 338 D N 0.802 121.087 120.400 -0.192 0.000 2.269 338 D HA -0.081 4.563 4.640 0.006 0.000 0.208 338 D C 2.108 178.375 176.300 -0.056 0.000 0.963 338 D CA 1.004 54.967 54.000 -0.063 0.000 0.864 338 D CB 0.199 40.961 40.800 -0.064 0.000 0.936 338 D HN 0.278 nan 8.370 nan 0.000 0.505 339 A N 0.026 122.794 122.820 -0.087 0.000 2.066 339 A HA -0.086 4.238 4.320 0.006 0.000 0.218 339 A C 2.062 179.602 177.584 -0.074 0.000 1.157 339 A CA 0.916 52.916 52.037 -0.062 0.000 0.670 339 A CB -0.338 18.630 19.000 -0.052 0.000 0.804 339 A HN 0.132 nan 8.150 nan 0.000 0.453 340 K N -1.007 119.338 120.400 -0.092 0.000 2.078 340 K HA -0.015 4.308 4.320 0.006 0.000 0.203 340 K C 2.035 178.548 176.600 -0.144 0.000 1.043 340 K CA 0.480 56.703 56.287 -0.107 0.000 0.960 340 K CB -0.079 32.372 32.500 -0.082 0.000 0.761 340 K HN 0.184 nan 8.250 nan 0.000 0.448 341 R N 0.750 121.115 120.500 -0.224 0.000 2.140 341 R HA 0.057 4.401 4.340 0.006 0.000 0.213 341 R C 0.251 176.278 176.300 -0.456 0.000 1.059 341 R CA 0.556 56.370 56.100 -0.477 0.000 1.000 341 R CB -0.242 29.424 30.300 -1.058 0.000 0.910 341 R HN 0.388 nan 8.270 nan 0.000 0.455 342 Q N -0.091 119.552 119.800 -0.262 0.000 2.464 342 Q HA -0.173 4.171 4.340 0.006 0.000 0.304 342 Q C -0.117 175.924 176.000 0.068 0.000 1.401 342 Q CA 0.426 56.190 55.803 -0.065 0.000 0.806 342 Q CB -1.861 26.843 28.738 -0.056 0.000 1.134 342 Q HN 0.174 nan 8.270 nan 0.000 0.411 343 F N -0.410 119.623 119.950 0.137 0.000 2.335 343 F HA -0.005 4.526 4.527 0.006 0.000 0.296 343 F C 2.256 178.072 175.800 0.027 0.000 1.091 343 F CA 0.008 58.037 58.000 0.047 0.000 1.399 343 F CB -0.171 38.846 39.000 0.027 0.000 1.067 343 F HN 0.234 nan 8.300 nan 0.000 0.520 344 I N 0.549 121.297 120.570 0.297 0.000 2.099 344 I HA -0.350 3.823 4.170 0.006 0.000 0.239 344 I C 2.339 178.508 176.117 0.087 0.000 1.066 344 I CA 1.658 63.070 61.300 0.187 0.000 1.324 344 I CB -1.651 36.481 38.000 0.220 0.000 1.037 344 I HN 0.176 nan 8.210 nan 0.000 0.401 345 N N 1.388 120.133 118.700 0.074 0.000 2.069 345 N HA -0.245 4.499 4.740 0.006 0.000 0.196 345 N C 1.997 177.517 175.510 0.017 0.000 1.024 345 N CA 1.610 54.687 53.050 0.046 0.000 0.869 345 N CB -0.422 38.068 38.487 0.005 0.000 1.035 345 N HN 0.355 nan 8.380 nan 0.000 0.434 346 L N -0.146 121.065 121.223 -0.020 0.000 1.971 346 L HA -0.244 4.100 4.340 0.006 0.000 0.215 346 L C 2.080 178.849 176.870 -0.168 0.000 1.072 346 L CA 1.923 56.685 54.840 -0.129 0.000 0.758 346 L CB -0.652 41.283 42.059 -0.208 0.000 0.889 346 L HN 0.288 nan 8.230 nan 0.000 0.433 347 S N 0.039 115.648 115.700 -0.151 0.000 2.370 347 S HA -0.210 4.264 4.470 0.006 0.000 0.226 347 S C 1.859 176.341 174.600 -0.198 0.000 1.033 347 S CA 1.462 59.554 58.200 -0.180 0.000 1.011 347 S CB -0.428 62.694 63.200 -0.129 0.000 0.852 347 S HN 0.333 nan 8.310 nan 0.000 0.457 348 L N 1.259 122.384 121.223 -0.164 0.000 1.989 348 L HA -0.198 4.146 4.340 0.006 0.000 0.211 348 L C 2.370 179.101 176.870 -0.232 0.000 1.071 348 L CA 1.448 56.114 54.840 -0.290 0.000 0.749 348 L CB -0.754 41.203 42.059 -0.169 0.000 0.890 348 L HN 0.178 nan 8.230 nan 0.000 0.431 349 D N -0.341 120.060 120.400 0.002 0.000 2.106 349 D HA -0.270 4.374 4.640 0.006 0.000 0.191 349 D C 2.151 178.476 176.300 0.041 0.000 0.997 349 D CA 1.617 55.696 54.000 0.132 0.000 0.834 349 D CB -0.131 40.712 40.800 0.072 0.000 0.956 349 D HN 0.244 nan 8.370 nan 0.000 0.448 350 M N -0.369 119.182 119.600 -0.082 0.000 2.132 350 M HA -0.057 4.426 4.480 0.006 0.000 0.263 350 M C 1.948 178.214 176.300 -0.057 0.000 1.065 350 M CA 2.074 57.306 55.300 -0.113 0.000 1.122 350 M CB -0.157 32.319 32.600 -0.205 0.000 1.365 350 M HN 0.039 nan 8.290 nan 0.000 0.411 351 G N -0.789 107.923 108.800 -0.146 0.000 2.404 351 G HA2 -0.217 3.746 3.960 0.006 0.000 0.214 351 G HA3 -0.217 3.746 3.960 0.006 0.000 0.214 351 G C 0.949 175.782 174.900 -0.113 0.000 1.189 351 G CA 0.524 45.512 45.100 -0.187 0.000 0.789 351 G HN 0.495 nan 8.290 nan 0.000 0.533 352 Y N -0.498 119.747 120.300 -0.093 0.000 2.403 352 Y HA -0.056 4.498 4.550 0.006 0.000 0.291 352 Y C 2.340 178.274 175.900 0.055 0.000 1.143 352 Y CA 0.403 58.456 58.100 -0.079 0.000 1.257 352 Y CB -0.662 37.631 38.460 -0.278 0.000 0.984 352 Y HN 0.363 nan 8.280 nan 0.000 0.550 353 Y N 0.006 120.361 120.300 0.092 0.000 2.163 353 Y HA -0.156 4.398 4.550 0.006 0.000 0.288 353 Y C 2.424 178.337 175.900 0.022 0.000 1.136 353 Y CA 1.548 59.679 58.100 0.051 0.000 1.147 353 Y CB -0.459 38.002 38.460 0.001 0.000 0.987 353 Y HN -0.002 nan 8.280 nan 0.000 0.509 354 A N -0.065 122.826 122.820 0.118 0.000 2.119 354 A HA 0.002 4.325 4.320 0.006 0.000 0.217 354 A C 0.781 178.389 177.584 0.040 0.000 1.153 354 A CA 0.777 52.828 52.037 0.024 0.000 0.692 354 A CB -0.546 18.468 19.000 0.023 0.000 0.799 354 A HN 0.463 nan 8.150 nan 0.000 0.458 355 K N -0.646 119.818 120.400 0.107 0.000 4.326 355 K HA -0.143 4.180 4.320 0.006 0.000 0.299 355 K C -0.484 176.157 176.600 0.068 0.000 1.005 355 K CA 1.013 57.388 56.287 0.147 0.000 0.935 355 K CB -1.910 30.633 32.500 0.071 0.000 1.551 355 K HN 0.811 nan 8.250 nan 0.000 0.438 356 I N -3.364 117.258 120.570 0.086 0.000 3.174 356 I HA 0.332 4.506 4.170 0.006 0.000 0.313 356 I C 0.015 176.151 176.117 0.033 0.000 1.155 356 I CA -1.580 59.732 61.300 0.020 0.000 0.977 356 I CB 1.612 39.623 38.000 0.020 0.000 1.248 356 I HN 0.053 nan 8.210 nan 0.000 0.453 357 Q N 1.516 121.316 119.800 -0.000 0.000 2.333 357 Q HA 0.077 4.420 4.340 0.006 0.000 0.299 357 Q C 0.688 176.678 176.000 -0.016 0.000 1.067 357 Q CA -0.176 55.641 55.803 0.023 0.000 0.943 357 Q CB 1.070 29.805 28.738 -0.004 0.000 1.233 357 Q HN 0.506 nan 8.270 nan 0.000 0.401 358 I N 1.871 122.412 120.570 -0.049 0.000 2.439 358 I HA -0.237 3.936 4.170 0.006 0.000 0.251 358 I C 2.266 178.320 176.117 -0.105 0.000 1.139 358 I CA 1.305 62.523 61.300 -0.136 0.000 1.438 358 I CB -1.261 36.630 38.000 -0.181 0.000 1.085 358 I HN 0.720 nan 8.210 nan 0.000 0.427 359 Q N 0.062 119.847 119.800 -0.025 0.000 2.515 359 Q HA -0.015 4.329 4.340 0.006 0.000 0.212 359 Q C 1.407 177.448 176.000 0.068 0.000 0.970 359 Q CA 0.812 56.648 55.803 0.055 0.000 0.941 359 Q CB -0.471 28.342 28.738 0.125 0.000 0.998 359 Q HN 0.284 nan 8.270 nan 0.000 0.518 360 S N 1.067 116.762 115.700 -0.009 0.000 2.575 360 S HA 0.027 4.501 4.470 0.006 0.000 0.215 360 S C 1.593 176.166 174.600 -0.045 0.000 0.966 360 S CA 0.462 58.665 58.200 0.005 0.000 0.911 360 S CB 0.185 63.389 63.200 0.008 0.000 0.780 360 S HN 0.484 nan 8.310 nan 0.000 0.514 361 V N -1.053 118.771 119.914 -0.150 0.000 3.330 361 V HA 0.045 4.169 4.120 0.006 0.000 0.273 361 V C 1.125 177.078 176.094 -0.235 0.000 1.179 361 V CA 1.364 63.547 62.300 -0.195 0.000 1.174 361 V CB -1.291 30.380 31.823 -0.253 0.000 0.794 361 V HN 0.398 nan 8.190 nan 0.000 0.527 362 F N 1.061 121.008 119.950 -0.006 0.000 2.797 362 F HA 0.397 4.928 4.527 0.006 0.000 0.302 362 F C 1.467 177.235 175.800 -0.054 0.000 1.130 362 F CA 0.534 58.489 58.000 -0.075 0.000 1.387 362 F CB 0.068 38.992 39.000 -0.127 0.000 1.107 362 F HN 0.270 nan 8.300 nan 0.000 0.577 363 S N 0.377 116.141 115.700 0.105 0.000 2.733 363 S HA 0.349 4.822 4.470 0.006 0.000 0.307 363 S C -1.994 172.656 174.600 0.083 0.000 1.127 363 S CA -1.557 56.695 58.200 0.086 0.000 1.097 363 S CB 1.018 64.263 63.200 0.075 0.000 1.003 363 S HN -0.195 nan 8.310 nan 0.000 0.477 364 P HA -0.028 nan 4.420 nan 0.000 0.218 364 P C 1.152 178.588 177.300 0.227 0.000 1.148 364 P CA 0.902 64.098 63.100 0.160 0.000 0.822 364 P CB 0.146 31.956 31.700 0.182 0.000 0.784 365 I N -1.115 119.555 120.570 0.166 0.000 2.286 365 I HA -0.170 4.003 4.170 0.006 0.000 0.245 365 I C 2.346 178.646 176.117 0.304 0.000 1.104 365 I CA 1.163 62.593 61.300 0.217 0.000 1.397 365 I CB -0.297 37.824 38.000 0.202 0.000 1.072 365 I HN -0.171 nan 8.210 nan 0.000 0.417 366 K N 0.427 120.943 120.400 0.194 0.000 2.063 366 K HA -0.140 4.183 4.320 0.006 0.000 0.208 366 K C 2.094 178.789 176.600 0.158 0.000 1.048 366 K CA 1.685 58.069 56.287 0.161 0.000 0.928 366 K CB -0.519 32.034 32.500 0.088 0.000 0.713 366 K HN 0.275 nan 8.250 nan 0.000 0.442 367 T N -0.562 114.051 114.554 0.098 0.000 2.821 367 T HA -0.139 4.214 4.350 0.006 0.000 0.267 367 T C 1.650 176.338 174.700 -0.021 0.000 1.046 367 T CA 1.338 63.418 62.100 -0.033 0.000 1.139 367 T CB -0.176 68.592 68.868 -0.167 0.000 0.871 367 T HN 0.388 nan 8.240 nan 0.000 0.454 368 W N 0.932 122.357 121.300 0.208 0.000 2.539 368 W HA 0.123 4.786 4.660 0.006 0.000 0.281 368 W C 2.190 178.931 176.519 0.371 0.000 1.220 368 W CA -0.120 57.389 57.345 0.274 0.000 1.332 368 W CB -0.208 29.411 29.460 0.266 0.000 1.095 368 W HN 0.180 nan 8.180 nan 0.000 0.571 369 D N 0.471 121.258 120.400 0.645 0.000 2.149 369 D HA -0.243 4.400 4.640 0.006 0.000 0.194 369 D C 2.116 178.672 176.300 0.428 0.000 1.001 369 D CA 2.226 56.534 54.000 0.514 0.000 0.849 369 D CB -0.236 40.783 40.800 0.366 0.000 0.939 369 D HN 0.051 nan 8.370 nan 0.000 0.449 370 A N -0.345 122.682 122.820 0.346 0.000 1.874 370 A HA 0.020 4.343 4.320 0.006 0.000 0.214 370 A C 2.477 180.225 177.584 0.272 0.000 1.189 370 A CA 0.781 53.016 52.037 0.330 0.000 0.615 370 A CB -0.619 18.508 19.000 0.212 0.000 0.830 370 A HN 0.302 nan 8.150 nan 0.000 0.443 371 I N -0.318 120.378 120.570 0.210 0.000 2.127 371 I HA -0.291 3.883 4.170 0.006 0.000 0.241 371 I C 2.296 178.540 176.117 0.212 0.000 1.075 371 I CA 1.548 62.938 61.300 0.150 0.000 1.334 371 I CB -0.325 37.780 38.000 0.175 0.000 1.040 371 I HN 0.275 nan 8.210 nan 0.000 0.405 372 I N 0.086 120.860 120.570 0.340 0.000 2.264 372 I HA -0.345 3.828 4.170 0.006 0.000 0.248 372 I C 2.383 178.649 176.117 0.249 0.000 1.111 372 I CA 1.785 63.246 61.300 0.268 0.000 1.382 372 I CB -0.341 37.809 38.000 0.250 0.000 1.060 372 I HN 0.227 nan 8.210 nan 0.000 0.418 373 F N 1.135 121.187 119.950 0.170 0.000 2.163 373 F HA -0.156 4.375 4.527 0.006 0.000 0.297 373 F C 2.335 178.195 175.800 0.100 0.000 1.094 373 F CA 1.310 59.396 58.000 0.143 0.000 1.290 373 F CB -0.330 38.762 39.000 0.153 0.000 1.017 373 F HN 0.025 nan 8.300 nan 0.000 0.483 374 N N 0.264 118.752 118.700 -0.353 0.000 2.149 374 N HA -0.227 4.516 4.740 0.006 0.000 0.188 374 N C 2.045 177.419 175.510 -0.227 0.000 1.019 374 N CA 1.572 54.356 53.050 -0.443 0.000 0.857 374 N CB -0.454 37.879 38.487 -0.257 0.000 0.997 374 N HN 0.335 nan 8.380 nan 0.000 0.426 375 S N 0.173 115.821 115.700 -0.086 0.000 2.423 375 S HA 0.008 4.482 4.470 0.006 0.000 0.231 375 S C 1.711 176.298 174.600 -0.022 0.000 1.014 375 S CA 0.478 58.659 58.200 -0.032 0.000 0.965 375 S CB 0.125 63.340 63.200 0.025 0.000 0.785 375 S HN 0.071 nan 8.310 nan 0.000 0.495 376 L N 1.167 122.384 121.223 -0.010 0.000 2.253 376 L HA 0.340 4.683 4.340 0.006 0.000 0.205 376 L C 2.175 179.059 176.870 0.024 0.000 1.078 376 L CA 1.140 55.997 54.840 0.029 0.000 0.805 376 L CB -0.818 41.301 42.059 0.100 0.000 0.963 376 L HN 0.130 nan 8.230 nan 0.000 0.459 377 K N -0.172 120.200 120.400 -0.047 0.000 2.032 377 K HA -0.274 4.050 4.320 0.006 0.000 0.218 377 K C 1.958 178.560 176.600 0.004 0.000 1.054 377 K CA 1.815 58.082 56.287 -0.033 0.000 0.941 377 K CB -0.040 32.334 32.500 -0.210 0.000 0.720 377 K HN 0.135 nan 8.250 nan 0.000 0.449 378 E N 0.772 120.949 120.200 -0.037 0.000 2.136 378 E HA -0.240 4.113 4.350 0.006 0.000 0.208 378 E C 1.399 178.007 176.600 0.015 0.000 1.035 378 E CA 1.674 58.067 56.400 -0.011 0.000 0.838 378 E CB -0.197 29.489 29.700 -0.022 0.000 0.748 378 E HN 0.489 nan 8.360 nan 0.000 0.459 379 Q N 0.393 120.206 119.800 0.022 0.000 2.217 379 Q HA 0.147 4.490 4.340 0.006 0.000 0.226 379 Q C -0.392 175.643 176.000 0.058 0.000 0.875 379 Q CA -0.210 55.611 55.803 0.030 0.000 0.974 379 Q CB 0.209 28.958 28.738 0.018 0.000 1.079 379 Q HN 0.109 nan 8.270 nan 0.000 0.463 380 N N 1.257 120.003 118.700 0.078 0.000 2.708 380 N HA -0.174 4.570 4.740 0.006 0.000 0.249 380 N C -0.965 174.641 175.510 0.160 0.000 1.097 380 N CA 1.148 54.272 53.050 0.123 0.000 0.710 380 N CB -0.866 37.631 38.487 0.017 0.000 1.032 380 N HN 0.422 nan 8.380 nan 0.000 0.551 381 K N -0.078 120.392 120.400 0.117 0.000 2.087 381 K HA 0.608 4.932 4.320 0.006 0.000 0.255 381 K C 0.220 176.824 176.600 0.006 0.000 0.988 381 K CA -0.663 55.679 56.287 0.091 0.000 0.915 381 K CB 1.663 34.204 32.500 0.068 0.000 1.043 381 K HN -0.156 nan 8.250 nan 0.000 0.457 382 V N 3.316 123.184 119.914 -0.077 0.000 2.495 382 V HA 0.337 4.460 4.120 0.006 0.000 0.298 382 V C 0.213 176.283 176.094 -0.040 0.000 1.031 382 V CA -0.995 61.161 62.300 -0.241 0.000 0.871 382 V CB 1.257 32.733 31.823 -0.578 0.000 0.988 382 V HN 0.666 nan 8.190 nan 0.000 0.432 383 I N 2.922 123.507 120.570 0.025 0.000 2.764 383 I HA 0.593 4.766 4.170 0.006 0.000 0.294 383 I C -2.480 173.661 176.117 0.041 0.000 1.045 383 I CA -2.242 59.113 61.300 0.092 0.000 1.340 383 I CB 0.957 39.042 38.000 0.142 0.000 1.436 383 I HN 0.357 nan 8.210 nan 0.000 0.567 384 P HA 0.108 nan 4.420 nan 0.000 0.274 384 P C -1.260 176.013 177.300 -0.045 0.000 1.246 384 P CA -0.344 62.763 63.100 0.012 0.000 0.795 384 P CB 0.472 32.178 31.700 0.011 0.000 1.006 385 Q N 0.684 120.474 119.800 -0.017 0.000 2.327 385 Q HA 0.398 4.741 4.340 0.006 0.000 0.254 385 Q C 0.167 176.122 176.000 -0.076 0.000 0.952 385 Q CA -0.469 55.310 55.803 -0.040 0.000 0.884 385 Q CB 0.265 28.988 28.738 -0.026 0.000 1.224 385 Q HN 0.598 nan 8.270 nan 0.000 0.422 386 G N 3.086 111.830 108.800 -0.093 0.000 2.432 386 G HA2 0.353 4.316 3.960 0.006 0.000 0.257 386 G HA3 0.353 4.316 3.960 0.006 0.000 0.257 386 G C -0.828 174.004 174.900 -0.114 0.000 1.238 386 G CA -0.449 44.591 45.100 -0.101 0.000 0.838 386 G HN 0.626 nan 8.290 nan 0.000 0.547 387 R N 0.706 121.106 120.500 -0.167 0.000 2.740 387 R HA 0.496 4.839 4.340 0.006 0.000 0.282 387 R C 0.133 176.100 176.300 -0.556 0.000 0.969 387 R CA -0.598 55.303 56.100 -0.331 0.000 0.918 387 R CB 1.924 32.004 30.300 -0.367 0.000 1.175 387 R HN 0.558 nan 8.270 nan 0.000 0.464 388 S N 0.856 116.256 115.700 -0.501 0.000 2.549 388 S HA 0.146 4.620 4.470 0.006 0.000 0.283 388 S C -0.844 173.328 174.600 -0.714 0.000 1.320 388 S CA 0.047 57.936 58.200 -0.518 0.000 1.058 388 S CB 0.144 63.160 63.200 -0.306 0.000 0.882 388 S HN 0.517 nan 8.310 nan 0.000 0.498 389 H N 2.084 120.942 119.070 -0.354 0.000 2.961 389 H HA 0.497 5.057 4.556 0.006 0.000 0.371 389 H C -2.479 172.683 175.328 -0.276 0.000 1.190 389 H CA -1.572 54.309 56.048 -0.278 0.000 1.138 389 H CB 1.405 30.945 29.762 -0.370 0.000 1.816 389 H HN 0.467 nan 8.280 nan 0.000 0.551 390 P HA 0.170 nan 4.420 nan 0.000 0.288 390 P C -0.550 176.734 177.300 -0.027 0.000 1.267 390 P CA -0.648 62.432 63.100 -0.033 0.000 0.815 390 P CB 1.060 32.764 31.700 0.007 0.000 0.989 391 V N 3.160 123.055 119.914 -0.032 0.000 2.843 391 V HA 0.123 4.247 4.120 0.006 0.000 0.305 391 V C 0.480 176.617 176.094 0.072 0.000 1.065 391 V CA 0.352 62.660 62.300 0.012 0.000 1.116 391 V CB -0.081 31.757 31.823 0.025 0.000 0.968 391 V HN 0.544 nan 8.190 nan 0.000 0.487 392 Q N 2.853 122.730 119.800 0.128 0.000 2.313 392 Q HA 0.334 4.677 4.340 0.006 0.000 0.255 392 Q C -2.672 173.449 176.000 0.202 0.000 0.944 392 Q CA -1.363 54.529 55.803 0.148 0.000 0.881 392 Q CB 2.413 31.245 28.738 0.158 0.000 1.375 392 Q HN 0.572 nan 8.270 nan 0.000 0.422 393 P HA 0.169 nan 4.420 nan 0.000 0.270 393 P C -1.195 176.241 177.300 0.227 0.000 1.223 393 P CA 0.236 63.411 63.100 0.126 0.000 0.785 393 P CB 0.215 31.956 31.700 0.069 0.000 0.923 394 Y N -2.132 118.208 120.300 0.068 0.000 2.662 394 Y HA 0.665 5.219 4.550 0.006 0.000 0.334 394 Y C -3.149 172.800 175.900 0.081 0.000 1.185 394 Y CA -2.369 55.769 58.100 0.063 0.000 1.074 394 Y CB -0.372 38.122 38.460 0.057 0.000 1.330 394 Y HN 0.202 nan 8.280 nan 0.000 0.458 395 P HA 0.696 nan 4.420 nan 0.000 0.284 395 P C -0.343 177.021 177.300 0.107 0.000 1.258 395 P CA -0.137 63.012 63.100 0.082 0.000 0.824 395 P CB 1.797 33.575 31.700 0.131 0.000 1.038 396 G N -0.528 108.319 108.800 0.080 0.000 3.234 396 G HA2 0.602 4.566 3.960 0.006 0.000 0.159 396 G HA3 0.602 4.566 3.960 0.006 0.000 0.159 396 G C -0.754 174.250 174.900 0.173 0.000 1.175 396 G CA -0.388 44.799 45.100 0.145 0.000 0.900 396 G HN 0.672 nan 8.290 nan 0.000 0.621 397 A N -0.760 122.177 122.820 0.195 0.000 2.448 397 A HA 0.470 4.793 4.320 0.006 0.000 0.239 397 A C -0.502 177.198 177.584 0.193 0.000 1.080 397 A CA -0.073 52.088 52.037 0.207 0.000 0.779 397 A CB -0.002 19.095 19.000 0.162 0.000 1.026 397 A HN 0.835 nan 8.150 nan 0.000 0.499 398 F N 1.611 121.612 119.950 0.085 0.000 2.379 398 F HA 0.569 5.100 4.527 0.006 0.000 0.332 398 F C -0.368 175.460 175.800 0.046 0.000 1.096 398 F CA -0.575 57.464 58.000 0.066 0.000 1.105 398 F CB 1.398 40.437 39.000 0.064 0.000 1.189 398 F HN 0.286 nan 8.300 nan 0.000 0.515 399 V N 5.701 124.905 119.914 -1.183 0.000 2.524 399 V HA 0.237 4.360 4.120 0.006 0.000 0.297 399 V C -0.495 174.983 176.094 -1.027 0.000 1.035 399 V CA -1.310 60.504 62.300 -0.811 0.000 0.867 399 V CB 1.406 33.051 31.823 -0.296 0.000 1.004 399 V HN 0.771 nan 8.190 nan 0.000 0.426 400 K N 2.810 122.804 120.400 -0.677 0.000 2.412 400 K HA 0.195 4.519 4.320 0.006 0.000 0.281 400 K C 0.093 176.674 176.600 -0.033 0.000 1.027 400 K CA -0.255 55.901 56.287 -0.219 0.000 0.989 400 K CB 0.826 33.352 32.500 0.043 0.000 0.935 400 K HN 0.742 nan 8.250 nan 0.000 0.475 401 E N 5.988 126.208 120.200 0.033 0.000 2.265 401 E HA 0.121 4.474 4.350 0.006 0.000 0.272 401 E C -2.232 174.425 176.600 0.095 0.000 1.067 401 E CA -1.728 54.725 56.400 0.088 0.000 0.900 401 E CB 0.633 30.378 29.700 0.074 0.000 1.017 401 E HN 0.335 nan 8.360 nan 0.000 0.431 402 P HA 0.277 nan 4.420 nan 0.000 0.287 402 P C -0.557 176.775 177.300 0.053 0.000 1.270 402 P CA -0.518 62.583 63.100 0.000 0.000 0.844 402 P CB 0.975 32.586 31.700 -0.148 0.000 1.068 403 I N 3.981 124.589 120.570 0.063 0.000 2.436 403 I HA 0.131 4.305 4.170 0.006 0.000 0.289 403 I C -1.887 174.348 176.117 0.197 0.000 1.083 403 I CA -2.025 59.347 61.300 0.120 0.000 1.372 403 I CB 0.388 38.456 38.000 0.114 0.000 1.408 403 I HN 0.150 nan 8.210 nan 0.000 0.516 404 P HA 0.038 nan 4.420 nan 0.000 0.262 404 P C -0.599 176.792 177.300 0.151 0.000 1.199 404 P CA 0.337 63.562 63.100 0.208 0.000 0.763 404 P CB 0.311 32.096 31.700 0.143 0.000 0.790 405 N N 1.437 120.247 118.700 0.184 0.000 3.356 405 N HA 0.152 4.896 4.740 0.006 0.000 0.246 405 N C -1.104 174.343 175.510 -0.104 0.000 1.480 405 N CA -0.798 52.207 53.050 -0.075 0.000 0.877 405 N CB 1.254 39.554 38.487 -0.311 0.000 1.431 405 N HN 0.219 nan 8.380 nan 0.000 0.500 406 R N 0.085 120.431 120.500 -0.256 0.000 2.543 406 R HA 0.440 4.783 4.340 0.006 0.000 0.268 406 R C -1.403 174.604 176.300 -0.489 0.000 1.067 406 R CA -0.132 55.898 56.100 -0.116 0.000 1.142 406 R CB 0.530 30.805 30.300 -0.041 0.000 1.110 406 R HN 0.467 nan 8.270 nan 0.000 0.549 407 Y N 0.273 120.686 120.300 0.188 0.000 2.422 407 Y HA 0.225 4.779 4.550 0.005 0.000 0.344 407 Y C 0.777 176.735 175.900 0.097 0.000 1.097 407 Y CA -0.874 57.316 58.100 0.150 0.000 1.307 407 Y CB 1.653 40.241 38.460 0.213 0.000 1.102 407 Y HN 0.769 nan 8.280 nan 0.000 0.520 408 K N 1.786 122.235 120.400 0.081 0.000 2.015 408 K HA -0.151 4.173 4.320 0.006 0.000 0.216 408 K C -0.623 175.809 176.600 -0.279 0.000 1.052 408 K CA 1.834 58.033 56.287 -0.146 0.000 0.937 408 K CB 0.055 32.431 32.500 -0.207 0.000 0.719 408 K HN 0.581 nan 8.250 nan 0.000 0.446 409 Y N -0.362 120.004 120.300 0.110 0.000 2.331 409 Y HA 0.383 4.936 4.550 0.005 0.000 0.334 409 Y C -0.690 175.317 175.900 0.179 0.000 0.960 409 Y CA -1.050 57.101 58.100 0.085 0.000 1.130 409 Y CB 2.054 40.484 38.460 -0.049 0.000 1.164 409 Y HN -0.286 nan 8.280 nan 0.000 0.458 410 V N 4.905 125.035 119.914 0.360 0.000 3.040 410 V HA 0.566 4.690 4.120 0.006 0.000 0.312 410 V C -0.708 175.564 176.094 0.296 0.000 1.115 410 V CA -1.034 61.464 62.300 0.331 0.000 0.998 410 V CB 2.424 34.481 31.823 0.389 0.000 1.042 410 V HN 0.807 nan 8.190 nan 0.000 0.433 411 M N 3.486 123.224 119.600 0.230 0.000 2.284 411 M HA 0.579 5.062 4.480 0.006 0.000 0.281 411 M C -0.891 175.385 176.300 -0.039 0.000 1.083 411 M CA -0.149 55.208 55.300 0.096 0.000 0.965 411 M CB 2.041 34.722 32.600 0.136 0.000 1.717 411 M HN 0.827 nan 8.290 nan 0.000 0.479 412 S N 3.389 118.923 115.700 -0.277 0.000 2.664 412 S HA 0.931 5.405 4.470 0.006 0.000 0.304 412 S C -1.103 173.161 174.600 -0.559 0.000 1.099 412 S CA -0.444 57.507 58.200 -0.414 0.000 1.003 412 S CB 1.554 64.354 63.200 -0.667 0.000 1.092 412 S HN 0.586 nan 8.310 nan 0.000 0.525 413 F N 0.396 120.243 119.950 -0.170 0.000 2.608 413 F HA 0.566 5.097 4.527 0.006 0.000 0.309 413 F C -0.491 175.291 175.800 -0.030 0.000 1.103 413 F CA -0.613 57.356 58.000 -0.052 0.000 0.954 413 F CB 2.251 41.252 39.000 0.001 0.000 1.267 413 F HN 0.852 nan 8.300 nan 0.000 0.444 414 D N 2.312 122.827 120.400 0.191 0.000 2.661 414 D HA 0.428 5.071 4.640 0.006 0.000 0.228 414 D C -1.498 174.890 176.300 0.146 0.000 1.183 414 D CA -0.388 53.699 54.000 0.145 0.000 0.844 414 D CB 2.315 43.169 40.800 0.091 0.000 1.555 414 D HN 0.498 nan 8.370 nan 0.000 0.453 415 L N 1.076 122.368 121.223 0.116 0.000 2.397 415 L HA 0.250 4.593 4.340 0.006 0.000 0.271 415 L C 0.770 177.669 176.870 0.048 0.000 1.148 415 L CA -0.173 54.709 54.840 0.069 0.000 0.825 415 L CB 1.187 43.248 42.059 0.002 0.000 1.117 415 L HN 0.363 nan 8.230 nan 0.000 0.456 416 T N 1.448 116.037 114.554 0.059 0.000 2.779 416 T HA 0.009 4.362 4.350 0.006 0.000 0.296 416 T C 0.685 175.352 174.700 -0.056 0.000 0.938 416 T CA -0.145 62.001 62.100 0.076 0.000 1.119 416 T CB 0.763 69.755 68.868 0.207 0.000 0.891 416 T HN 0.705 nan 8.240 nan 0.000 0.526 417 S N 2.246 117.911 115.700 -0.058 0.000 3.477 417 S HA -0.153 4.320 4.470 0.006 0.000 0.371 417 S C 1.241 175.711 174.600 -0.217 0.000 0.965 417 S CA -0.006 58.088 58.200 -0.176 0.000 1.239 417 S CB -1.256 61.702 63.200 -0.403 0.000 0.918 417 S HN 0.672 nan 8.310 nan 0.000 0.498 418 L N 2.296 123.448 121.223 -0.119 0.000 1.980 418 L HA -0.195 4.149 4.340 0.006 0.000 0.232 418 L C 1.858 178.724 176.870 -0.007 0.000 1.092 418 L CA 2.622 57.429 54.840 -0.055 0.000 0.808 418 L CB -0.958 41.126 42.059 0.043 0.000 0.908 418 L HN 0.690 nan 8.230 nan 0.000 0.442 419 Y N -0.426 119.736 120.300 -0.231 0.000 2.145 419 Y HA -0.098 4.455 4.550 0.006 0.000 0.286 419 Y C -0.022 175.710 175.900 -0.280 0.000 1.145 419 Y CA 0.892 58.822 58.100 -0.284 0.000 1.148 419 Y CB -2.574 35.663 38.460 -0.372 0.000 0.981 419 Y HN 0.318 nan 8.280 nan 0.000 0.507 420 P HA -0.148 nan 4.420 nan 0.000 0.216 420 P C 1.786 178.896 177.300 -0.317 0.000 1.150 420 P CA 2.521 65.492 63.100 -0.216 0.000 0.843 420 P CB -0.001 31.531 31.700 -0.279 0.000 0.787 421 S N -0.990 114.491 115.700 -0.365 0.000 2.383 421 S HA -0.071 4.402 4.470 0.006 0.000 0.227 421 S C 1.896 176.254 174.600 -0.402 0.000 1.026 421 S CA 0.919 58.877 58.200 -0.405 0.000 0.981 421 S CB -0.913 62.040 63.200 -0.412 0.000 0.818 421 S HN 0.124 nan 8.310 nan 0.000 0.472 422 I N 1.508 121.835 120.570 -0.405 0.000 2.179 422 I HA -0.169 4.005 4.170 0.006 0.000 0.242 422 I C 2.137 177.913 176.117 -0.567 0.000 1.088 422 I CA 1.292 62.234 61.300 -0.595 0.000 1.357 422 I CB -0.705 36.946 38.000 -0.582 0.000 1.051 422 I HN 0.257 nan 8.210 nan 0.000 0.409 423 I N 0.806 121.123 120.570 -0.421 0.000 2.151 423 I HA -0.321 3.853 4.170 0.006 0.000 0.243 423 I C 2.883 178.796 176.117 -0.340 0.000 1.080 423 I CA 1.616 62.694 61.300 -0.370 0.000 1.339 423 I CB -0.411 37.429 38.000 -0.267 0.000 1.039 423 I HN 0.193 nan 8.210 nan 0.000 0.409 424 R N 0.171 120.492 120.500 -0.298 0.000 2.066 424 R HA -0.229 4.115 4.340 0.006 0.000 0.232 424 R C 2.331 178.479 176.300 -0.253 0.000 1.131 424 R CA 1.738 57.697 56.100 -0.234 0.000 0.955 424 R CB -0.447 29.733 30.300 -0.201 0.000 0.851 424 R HN 0.426 nan 8.270 nan 0.000 0.432 425 Q N 0.661 120.264 119.800 -0.327 0.000 2.061 425 Q HA -0.138 4.205 4.340 0.006 0.000 0.204 425 Q C 1.766 177.591 176.000 -0.292 0.000 0.984 425 Q CA 1.810 57.429 55.803 -0.305 0.000 0.846 425 Q CB 0.151 28.658 28.738 -0.385 0.000 0.902 425 Q HN 0.168 nan 8.270 nan 0.000 0.421 426 V N 0.668 120.334 119.914 -0.415 0.000 3.052 426 V HA -0.022 4.101 4.120 0.006 0.000 0.254 426 V C 0.411 176.297 176.094 -0.347 0.000 1.100 426 V CA 0.829 62.891 62.300 -0.397 0.000 1.112 426 V CB -0.720 30.753 31.823 -0.583 0.000 0.738 426 V HN 0.688 nan 8.190 nan 0.000 0.469 427 N N 0.098 118.595 118.700 -0.337 0.000 2.806 427 N HA -0.182 4.561 4.740 0.006 0.000 0.248 427 N C -0.534 174.750 175.510 -0.377 0.000 1.081 427 N CA 0.228 53.130 53.050 -0.246 0.000 0.680 427 N CB -1.414 37.024 38.487 -0.081 0.000 0.941 427 N HN 0.527 nan 8.380 nan 0.000 0.554 428 I N 0.367 120.603 120.570 -0.557 0.000 2.396 428 I HA 0.309 4.482 4.170 0.006 0.000 0.289 428 I C 0.732 176.702 176.117 -0.246 0.000 1.056 428 I CA 0.096 61.001 61.300 -0.659 0.000 1.365 428 I CB 1.213 38.828 38.000 -0.641 0.000 1.407 428 I HN 0.232 nan 8.210 nan 0.000 0.509 429 S N 6.278 121.944 115.700 -0.058 0.000 2.565 429 S HA 0.419 4.893 4.470 0.006 0.000 0.269 429 S C -2.138 172.497 174.600 0.059 0.000 1.153 429 S CA -0.953 57.233 58.200 -0.023 0.000 0.835 429 S CB 1.865 65.048 63.200 -0.028 0.000 1.122 429 S HN 0.254 nan 8.310 nan 0.000 0.462 430 P HA -0.089 nan 4.420 nan 0.000 0.216 430 P C 0.898 178.289 177.300 0.151 0.000 1.150 430 P CA 1.018 64.176 63.100 0.097 0.000 0.837 430 P CB 0.123 31.872 31.700 0.082 0.000 0.786 431 E N -0.786 119.448 120.200 0.057 0.000 2.498 431 E HA 0.019 4.372 4.350 0.006 0.000 0.203 431 E C 0.578 177.286 176.600 0.181 0.000 1.013 431 E CA 0.643 57.080 56.400 0.062 0.000 0.927 431 E CB -0.792 28.824 29.700 -0.140 0.000 1.012 431 E HN 0.222 nan 8.360 nan 0.000 0.482 432 T N -0.964 113.720 114.554 0.217 0.000 3.105 432 T HA 0.347 4.700 4.350 0.006 0.000 0.253 432 T C 0.913 175.765 174.700 0.253 0.000 1.047 432 T CA -0.449 61.852 62.100 0.335 0.000 0.944 432 T CB -0.535 68.498 68.868 0.275 0.000 1.016 432 T HN 0.028 nan 8.240 nan 0.000 0.544 433 I N 2.295 122.928 120.570 0.104 0.000 2.578 433 I HA 0.237 4.411 4.170 0.006 0.000 0.286 433 I C 1.681 177.515 176.117 -0.472 0.000 1.126 433 I CA -0.460 60.681 61.300 -0.265 0.000 1.380 433 I CB 0.672 38.565 38.000 -0.178 0.000 1.408 433 I HN 0.276 nan 8.210 nan 0.000 0.532 434 A N 5.305 127.535 122.820 -0.982 0.000 1.898 434 A HA 0.415 4.739 4.320 0.006 0.000 0.214 434 A C 1.206 178.315 177.584 -0.791 0.000 1.183 434 A CA 1.304 52.485 52.037 -1.427 0.000 0.622 434 A CB -0.225 17.560 19.000 -2.025 0.000 0.824 434 A HN 0.863 nan 8.150 nan 0.000 0.444 435 G N -2.637 105.802 108.800 -0.602 0.000 2.360 435 G HA2 0.464 4.427 3.960 0.006 0.000 0.276 435 G HA3 0.464 4.427 3.960 0.006 0.000 0.276 435 G C -0.537 174.194 174.900 -0.281 0.000 1.256 435 G CA 0.222 45.101 45.100 -0.368 0.000 0.890 435 G HN 0.956 nan 8.290 nan 0.000 0.486 436 T N -1.657 112.799 114.554 -0.164 0.000 2.887 436 T HA 0.844 5.197 4.350 0.006 0.000 0.292 436 T C -0.709 174.010 174.700 0.032 0.000 1.087 436 T CA -0.360 61.665 62.100 -0.125 0.000 1.009 436 T CB 2.114 70.871 68.868 -0.185 0.000 1.203 436 T HN 1.786 nan 8.240 nan 0.000 0.518 437 F N -1.495 118.405 119.950 -0.083 0.000 2.650 437 F HA 0.762 5.293 4.527 0.006 0.000 0.320 437 F C -0.576 175.211 175.800 -0.022 0.000 1.091 437 F CA -1.541 56.435 58.000 -0.040 0.000 0.962 437 F CB 1.617 40.602 39.000 -0.026 0.000 1.363 437 F HN 0.582 nan 8.300 nan 0.000 0.482 438 K N 2.076 122.552 120.400 0.127 0.000 2.349 438 K HA 0.426 4.750 4.320 0.006 0.000 0.288 438 K C -1.174 175.478 176.600 0.087 0.000 1.058 438 K CA -0.430 55.879 56.287 0.036 0.000 0.953 438 K CB 1.320 33.869 32.500 0.082 0.000 0.997 438 K HN 0.671 nan 8.250 nan 0.000 0.477 439 V N 3.984 123.856 119.914 -0.071 0.000 2.407 439 V HA 0.392 4.515 4.120 0.006 0.000 0.278 439 V C -0.111 176.054 176.094 0.119 0.000 1.037 439 V CA -0.382 61.931 62.300 0.022 0.000 0.900 439 V CB 1.224 32.936 31.823 -0.184 0.000 0.983 439 V HN 0.933 nan 8.190 nan 0.000 0.459 440 A N 9.100 132.046 122.820 0.211 0.000 2.271 440 A HA 0.815 5.138 4.320 0.006 0.000 0.288 440 A C -2.345 175.236 177.584 -0.004 0.000 1.094 440 A CA -1.555 50.475 52.037 -0.010 0.000 0.828 440 A CB 0.297 19.158 19.000 -0.233 0.000 1.091 440 A HN 0.724 nan 8.150 nan 0.000 0.493 441 P HA -0.005 nan 4.420 nan 0.000 0.268 441 P C 0.846 178.040 177.300 -0.177 0.000 1.208 441 P CA -0.357 62.629 63.100 -0.190 0.000 0.777 441 P CB 0.523 31.994 31.700 -0.382 0.000 0.875 442 L N 3.129 124.311 121.223 -0.068 0.000 2.051 442 L HA -0.244 4.100 4.340 0.006 0.000 0.214 442 L C 2.464 179.378 176.870 0.073 0.000 1.076 442 L CA 2.502 57.387 54.840 0.075 0.000 0.758 442 L CB -1.861 40.223 42.059 0.042 0.000 0.890 442 L HN 0.602 nan 8.230 nan 0.000 0.433 443 H N -3.494 115.618 119.070 0.071 0.000 2.495 443 H HA 0.022 4.581 4.556 0.006 0.000 0.287 443 H C 1.635 176.985 175.328 0.036 0.000 1.033 443 H CA 0.983 57.054 56.048 0.039 0.000 1.307 443 H CB -0.859 28.905 29.762 0.005 0.000 1.401 443 H HN 0.325 nan 8.280 nan 0.000 0.555 444 D N 0.435 120.873 120.400 0.064 0.000 2.144 444 D HA -0.134 4.509 4.640 0.006 0.000 0.200 444 D C 1.321 177.623 176.300 0.003 0.000 0.978 444 D CA 1.053 55.063 54.000 0.016 0.000 0.833 444 D CB -0.287 40.391 40.800 -0.203 0.000 0.961 444 D HN 0.453 nan 8.370 nan 0.000 0.470 445 Y N 0.605 121.015 120.300 0.184 0.000 2.263 445 Y HA 0.035 4.588 4.550 0.006 0.000 0.292 445 Y C 2.385 178.533 175.900 0.414 0.000 1.130 445 Y CA 0.265 58.546 58.100 0.301 0.000 1.179 445 Y CB -0.403 38.132 38.460 0.126 0.000 0.998 445 Y HN -0.060 nan 8.280 nan 0.000 0.532 446 I N 0.135 120.949 120.570 0.408 0.000 2.226 446 I HA -0.312 3.862 4.170 0.006 0.000 0.245 446 I C 1.368 177.596 176.117 0.185 0.000 1.100 446 I CA 1.362 62.866 61.300 0.339 0.000 1.374 446 I CB -0.278 37.822 38.000 0.168 0.000 1.057 446 I HN 0.234 nan 8.210 nan 0.000 0.413 447 N N 0.985 119.758 118.700 0.122 0.000 2.398 447 N HA 0.156 4.900 4.740 0.006 0.000 0.188 447 N C 0.585 176.071 175.510 -0.040 0.000 1.122 447 N CA 0.817 53.858 53.050 -0.016 0.000 0.866 447 N CB 0.396 38.882 38.487 -0.002 0.000 0.970 447 N HN 0.278 nan 8.380 nan 0.000 0.462 448 A N -0.393 122.487 122.820 0.101 0.000 2.734 448 A HA -0.158 4.166 4.320 0.006 0.000 0.296 448 A C 0.875 178.434 177.584 -0.043 0.000 1.474 448 A CA 0.723 52.765 52.037 0.009 0.000 0.735 448 A CB -1.840 17.024 19.000 -0.228 0.000 1.062 448 A HN 0.116 nan 8.150 nan 0.000 0.463 449 V N -1.034 118.917 119.914 0.062 0.000 3.159 449 V HA 0.437 4.560 4.120 0.006 0.000 0.234 449 V C 1.605 177.727 176.094 0.045 0.000 1.313 449 V CA 0.955 63.270 62.300 0.025 0.000 1.271 449 V CB 0.123 31.955 31.823 0.015 0.000 1.053 449 V HN 1.666 nan 8.190 nan 0.000 0.476 450 A N 1.363 124.205 122.820 0.035 0.000 2.425 450 A HA 0.293 4.616 4.320 0.006 0.000 0.242 450 A C 0.511 178.160 177.584 0.108 0.000 1.077 450 A CA 0.020 52.015 52.037 -0.070 0.000 0.781 450 A CB -0.042 18.635 19.000 -0.537 0.000 1.020 450 A HN 0.584 nan 8.150 nan 0.000 0.494 451 E N 1.835 122.072 120.200 0.061 0.000 2.415 451 E HA 0.040 4.394 4.350 0.006 0.000 0.262 451 E C -0.243 176.441 176.600 0.140 0.000 1.038 451 E CA -0.311 56.154 56.400 0.107 0.000 0.921 451 E CB 0.390 30.126 29.700 0.061 0.000 0.950 451 E HN 0.529 nan 8.360 nan 0.000 0.438 452 R N 4.027 124.617 120.500 0.150 0.000 2.473 452 R HA -0.014 4.329 4.340 0.006 0.000 0.315 452 R C -1.553 174.656 176.300 -0.152 0.000 0.972 452 R CA -0.837 55.276 56.100 0.021 0.000 1.047 452 R CB 0.239 30.578 30.300 0.066 0.000 0.932 452 R HN 0.569 nan 8.270 nan 0.000 0.411 453 P HA -0.169 nan 4.420 nan 0.000 0.215 453 P C 0.072 177.085 177.300 -0.478 0.000 1.163 453 P CA 1.289 63.910 63.100 -0.798 0.000 0.894 453 P CB 0.270 31.014 31.700 -1.595 0.000 0.791 454 S N -2.786 112.710 115.700 -0.339 0.000 2.541 454 S HA 0.313 4.786 4.470 0.006 0.000 0.271 454 S C -0.039 174.481 174.600 -0.132 0.000 1.133 454 S CA -0.645 57.449 58.200 -0.176 0.000 0.876 454 S CB 1.198 64.335 63.200 -0.104 0.000 1.105 454 S HN -0.237 nan 8.310 nan 0.000 0.470 455 D N 1.644 121.974 120.400 -0.117 0.000 2.333 455 D HA 0.062 4.706 4.640 0.006 0.000 0.208 455 D C 1.462 177.670 176.300 -0.154 0.000 0.984 455 D CA 1.505 55.439 54.000 -0.109 0.000 0.873 455 D CB 0.603 41.351 40.800 -0.088 0.000 0.935 455 D HN 0.446 nan 8.370 nan 0.000 0.521 456 V N -2.234 117.522 119.914 -0.263 0.000 3.480 456 V HA 0.302 4.425 4.120 0.006 0.000 0.263 456 V C -0.270 175.562 176.094 -0.437 0.000 1.442 456 V CA -0.156 61.901 62.300 -0.405 0.000 1.053 456 V CB -0.032 31.428 31.823 -0.604 0.000 0.846 456 V HN -0.202 nan 8.190 nan 0.000 0.440 457 Y N 1.047 121.316 120.300 -0.051 0.000 2.568 457 Y HA 0.754 5.308 4.550 0.006 0.000 0.327 457 Y C 0.685 176.556 175.900 -0.049 0.000 1.163 457 Y CA -0.749 57.316 58.100 -0.059 0.000 1.219 457 Y CB 1.429 39.811 38.460 -0.131 0.000 1.308 457 Y HN 0.060 nan 8.280 nan 0.000 0.503 458 S N 0.626 116.432 115.700 0.176 0.000 2.457 458 S HA 0.574 5.048 4.470 0.006 0.000 0.289 458 S C -0.872 173.816 174.600 0.147 0.000 1.163 458 S CA -0.449 57.814 58.200 0.106 0.000 1.078 458 S CB -0.447 62.802 63.200 0.082 0.000 0.987 458 S HN 0.650 nan 8.310 nan 0.000 0.482 459 C N 3.186 122.524 119.300 0.063 0.000 2.470 459 C HA 0.890 5.354 4.460 0.006 0.000 0.341 459 C C 0.404 175.475 174.990 0.135 0.000 1.190 459 C CA -0.736 58.330 59.018 0.080 0.000 1.904 459 C CB 1.340 28.979 27.740 -0.169 0.000 2.354 459 C HN 0.867 nan 8.230 nan 0.000 0.509 460 S N 1.121 116.952 115.700 0.219 0.000 2.526 460 S HA 0.565 5.038 4.470 0.006 0.000 0.293 460 S C -2.202 172.449 174.600 0.084 0.000 1.092 460 S CA -1.081 57.230 58.200 0.184 0.000 0.980 460 S CB 1.854 65.159 63.200 0.174 0.000 1.048 460 S HN 0.600 nan 8.310 nan 0.000 0.483 461 P HA -0.015 nan 4.420 nan 0.000 0.239 461 P C 0.564 177.770 177.300 -0.157 0.000 1.184 461 P CA 0.498 63.408 63.100 -0.316 0.000 0.760 461 P CB -0.451 30.989 31.700 -0.435 0.000 0.884 462 N N -0.124 118.522 118.700 -0.090 0.000 2.449 462 N HA -0.004 4.739 4.740 0.006 0.000 0.191 462 N C 1.277 176.629 175.510 -0.263 0.000 1.161 462 N CA 0.869 53.846 53.050 -0.121 0.000 0.863 462 N CB -0.804 37.642 38.487 -0.068 0.000 0.980 462 N HN 0.187 nan 8.380 nan 0.000 0.458 463 G N -0.343 108.178 108.800 -0.465 0.000 2.176 463 G HA2 -0.212 3.752 3.960 0.006 0.000 0.232 463 G HA3 -0.212 3.752 3.960 0.006 0.000 0.232 463 G C -0.081 174.478 174.900 -0.569 0.000 0.986 463 G CA 0.056 44.503 45.100 -1.089 0.000 0.643 463 G HN 0.230 nan 8.290 nan 0.000 0.522 464 M N 0.817 120.327 119.600 -0.150 0.000 2.249 464 M HA 0.623 5.106 4.480 0.006 0.000 0.351 464 M C 0.571 176.836 176.300 -0.058 0.000 1.180 464 M CA 0.234 55.438 55.300 -0.159 0.000 1.127 464 M CB 0.992 33.495 32.600 -0.162 0.000 1.546 464 M HN 0.176 nan 8.290 nan 0.000 0.461 465 M N 3.054 122.442 119.600 -0.352 0.000 2.321 465 M HA 0.451 4.934 4.480 0.006 0.000 0.315 465 M C -1.598 174.279 176.300 -0.706 0.000 1.052 465 M CA -0.516 54.602 55.300 -0.304 0.000 0.936 465 M CB 1.820 34.291 32.600 -0.215 0.000 1.639 465 M HN 0.475 nan 8.290 nan 0.000 0.433 466 Y N 0.323 120.509 120.300 -0.190 0.000 2.485 466 Y HA 0.436 4.989 4.550 0.006 0.000 0.345 466 Y C -0.677 175.133 175.900 -0.150 0.000 0.998 466 Y CA -0.727 57.251 58.100 -0.204 0.000 1.059 466 Y CB 1.443 39.844 38.460 -0.098 0.000 1.234 466 Y HN 0.439 nan 8.280 nan 0.000 0.461 467 Y N 1.782 122.162 120.300 0.134 0.000 2.569 467 Y HA -0.014 4.539 4.550 0.006 0.000 0.332 467 Y C 1.435 177.426 175.900 0.151 0.000 1.120 467 Y CA 0.113 58.316 58.100 0.171 0.000 1.416 467 Y CB 0.740 39.261 38.460 0.100 0.000 1.210 467 Y HN 0.611 nan 8.280 nan 0.000 0.528 468 K N 1.498 122.074 120.400 0.292 0.000 2.418 468 K HA -0.094 4.230 4.320 0.006 0.000 0.195 468 K C 0.211 176.881 176.600 0.118 0.000 1.035 468 K CA 1.502 57.884 56.287 0.159 0.000 1.003 468 K CB 0.254 32.825 32.500 0.118 0.000 0.793 468 K HN 0.784 nan 8.250 nan 0.000 0.494 469 D N -0.130 120.355 120.400 0.142 0.000 2.369 469 D HA -0.063 4.581 4.640 0.006 0.000 0.231 469 D C 0.747 177.079 176.300 0.053 0.000 0.967 469 D CA 0.276 54.323 54.000 0.079 0.000 0.905 469 D CB -0.199 40.642 40.800 0.067 0.000 1.044 469 D HN 0.156 nan 8.370 nan 0.000 0.487 470 R N 0.683 121.218 120.500 0.059 0.000 2.571 470 R HA 0.381 4.724 4.340 0.006 0.000 0.259 470 R C -0.797 175.520 176.300 0.029 0.000 1.226 470 R CA -0.466 55.647 56.100 0.022 0.000 1.157 470 R CB 0.139 30.431 30.300 -0.014 0.000 1.220 470 R HN -0.150 nan 8.270 nan 0.000 0.605 471 D N -0.571 119.834 120.400 0.010 0.000 2.256 471 D HA 0.330 4.974 4.640 0.006 0.000 0.246 471 D C -0.443 175.857 176.300 -0.001 0.000 1.042 471 D CA -0.272 53.731 54.000 0.004 0.000 0.841 471 D CB 1.854 42.654 40.800 0.000 0.000 1.223 471 D HN 0.711 nan 8.370 nan 0.000 0.470 472 G N 0.271 109.066 108.800 -0.008 0.000 2.377 472 G HA2 0.386 4.349 3.960 0.006 0.000 0.299 472 G HA3 0.386 4.349 3.960 0.006 0.000 0.299 472 G C 1.295 176.172 174.900 -0.038 0.000 1.150 472 G CA -0.682 44.403 45.100 -0.024 0.000 0.847 472 G HN 0.279 nan 8.290 nan 0.000 0.501 473 V N 2.859 122.739 119.914 -0.056 0.000 2.252 473 V HA -0.224 3.899 4.120 0.006 0.000 0.249 473 V C 2.810 178.874 176.094 -0.049 0.000 1.056 473 V CA 1.834 64.103 62.300 -0.052 0.000 1.022 473 V CB -1.251 30.515 31.823 -0.095 0.000 0.641 473 V HN 0.482 nan 8.190 nan 0.000 0.445 474 V N 0.768 120.621 119.914 -0.103 0.000 2.220 474 V HA -0.153 3.970 4.120 0.006 0.000 0.246 474 V C 0.450 176.489 176.094 -0.091 0.000 1.049 474 V CA 2.822 65.049 62.300 -0.122 0.000 1.003 474 V CB -2.036 29.687 31.823 -0.167 0.000 0.634 474 V HN 0.485 nan 8.190 nan 0.000 0.444 475 P HA -0.177 nan 4.420 nan 0.000 0.216 475 P C 1.861 179.153 177.300 -0.014 0.000 1.154 475 P CA 2.023 65.075 63.100 -0.080 0.000 0.865 475 P CB -0.266 31.379 31.700 -0.092 0.000 0.789 476 T N -0.453 114.106 114.554 0.007 0.000 2.684 476 T HA -0.140 4.214 4.350 0.006 0.000 0.267 476 T C 1.571 176.335 174.700 0.106 0.000 1.036 476 T CA 1.308 63.437 62.100 0.048 0.000 1.148 476 T CB -0.539 68.352 68.868 0.039 0.000 0.863 476 T HN 0.150 nan 8.240 nan 0.000 0.436 477 E N 0.319 120.598 120.200 0.132 0.000 2.371 477 E HA 0.168 4.521 4.350 0.006 0.000 0.194 477 E C 1.976 178.807 176.600 0.385 0.000 1.012 477 E CA 0.180 56.742 56.400 0.271 0.000 0.860 477 E CB -0.086 29.811 29.700 0.328 0.000 0.811 477 E HN 0.474 nan 8.360 nan 0.000 0.502 478 I N 0.458 121.160 120.570 0.219 0.000 3.030 478 I HA -0.132 4.041 4.170 0.006 0.000 0.270 478 I C 1.525 177.774 176.117 0.219 0.000 1.211 478 I CA 0.778 62.201 61.300 0.205 0.000 1.479 478 I CB 0.243 38.222 38.000 -0.035 0.000 1.105 478 I HN -0.035 nan 8.210 nan 0.000 0.447 479 T N 0.846 115.505 114.554 0.176 0.000 2.857 479 T HA -0.130 4.223 4.350 0.006 0.000 0.266 479 T C 1.814 176.648 174.700 0.224 0.000 1.048 479 T CA 1.164 63.386 62.100 0.204 0.000 1.139 479 T CB -0.018 68.931 68.868 0.135 0.000 0.874 479 T HN 0.285 nan 8.240 nan 0.000 0.455 480 K N 0.585 121.114 120.400 0.216 0.000 2.057 480 K HA -0.012 4.311 4.320 0.006 0.000 0.206 480 K C 2.247 178.950 176.600 0.170 0.000 1.050 480 K CA 0.881 57.291 56.287 0.205 0.000 0.935 480 K CB -0.306 32.359 32.500 0.274 0.000 0.715 480 K HN 0.111 nan 8.250 nan 0.000 0.439 481 V N 0.897 120.935 119.914 0.207 0.000 2.515 481 V HA -0.198 3.925 4.120 0.006 0.000 0.250 481 V C 1.883 178.075 176.094 0.163 0.000 1.058 481 V CA 1.325 63.688 62.300 0.104 0.000 1.064 481 V CB -0.478 31.441 31.823 0.159 0.000 0.675 481 V HN 0.239 nan 8.190 nan 0.000 0.461 482 F N 2.069 122.061 119.950 0.070 0.000 2.186 482 F HA -0.117 4.413 4.527 0.006 0.000 0.299 482 F C 2.174 177.986 175.800 0.021 0.000 1.090 482 F CA 1.478 59.504 58.000 0.043 0.000 1.307 482 F CB -0.475 38.548 39.000 0.039 0.000 1.019 482 F HN 0.209 nan 8.300 nan 0.000 0.489 483 N N 0.479 119.103 118.700 -0.127 0.000 2.188 483 N HA -0.146 4.598 4.740 0.006 0.000 0.184 483 N C 1.770 177.156 175.510 -0.207 0.000 1.018 483 N CA 1.317 54.215 53.050 -0.254 0.000 0.858 483 N CB -0.462 37.971 38.487 -0.090 0.000 0.989 483 N HN 0.518 nan 8.380 nan 0.000 0.426 484 Q N 0.403 120.143 119.800 -0.100 0.000 2.119 484 Q HA -0.082 4.261 4.340 0.006 0.000 0.201 484 Q C 2.125 178.106 176.000 -0.031 0.000 0.972 484 Q CA 1.032 56.800 55.803 -0.059 0.000 0.847 484 Q CB -0.067 28.663 28.738 -0.014 0.000 0.903 484 Q HN 0.334 nan 8.270 nan 0.000 0.433 485 R N 1.565 122.032 120.500 -0.055 0.000 2.070 485 R HA -0.186 4.157 4.340 0.006 0.000 0.233 485 R C 2.110 178.320 176.300 -0.150 0.000 1.137 485 R CA 1.771 57.853 56.100 -0.031 0.000 0.945 485 R CB -0.075 30.256 30.300 0.053 0.000 0.845 485 R HN -0.016 nan 8.270 nan 0.000 0.430 486 K N 0.501 120.689 120.400 -0.355 0.000 2.077 486 K HA -0.301 4.022 4.320 0.006 0.000 0.213 486 K C 2.055 178.461 176.600 -0.324 0.000 1.051 486 K CA 2.407 58.464 56.287 -0.382 0.000 0.929 486 K CB -0.181 31.997 32.500 -0.537 0.000 0.715 486 K HN 0.492 nan 8.250 nan 0.000 0.451 487 E N -0.788 119.191 120.200 -0.368 0.000 2.072 487 E HA -0.235 4.119 4.350 0.006 0.000 0.191 487 E C 1.782 177.865 176.600 -0.863 0.000 0.985 487 E CA 1.297 57.356 56.400 -0.569 0.000 0.801 487 E CB -0.168 29.218 29.700 -0.524 0.000 0.750 487 E HN 0.473 nan 8.360 nan 0.000 0.452 488 H N 0.087 118.888 119.070 -0.448 0.000 2.495 488 H HA -0.001 4.558 4.556 0.006 0.000 0.287 488 H C 1.899 177.104 175.328 -0.205 0.000 1.033 488 H CA 1.358 57.243 56.048 -0.271 0.000 1.307 488 H CB 0.169 29.892 29.762 -0.065 0.000 1.401 488 H HN 0.219 nan 8.280 nan 0.000 0.555 489 K N 0.530 120.861 120.400 -0.115 0.000 2.007 489 K HA -0.069 4.255 4.320 0.006 0.000 0.206 489 K C 2.444 178.968 176.600 -0.126 0.000 1.047 489 K CA 1.009 57.246 56.287 -0.084 0.000 0.937 489 K CB -0.259 32.195 32.500 -0.077 0.000 0.718 489 K HN 0.195 nan 8.250 nan 0.000 0.438 490 G N 0.663 109.327 108.800 -0.225 0.000 2.649 490 G HA2 -0.317 3.646 3.960 0.006 0.000 0.220 490 G HA3 -0.317 3.646 3.960 0.006 0.000 0.220 490 G C 1.183 175.986 174.900 -0.162 0.000 1.189 490 G CA 1.650 46.612 45.100 -0.229 0.000 0.777 490 G HN 0.333 nan 8.290 nan 0.000 0.602 491 Y N 0.112 120.300 120.300 -0.188 0.000 2.151 491 Y HA -0.154 4.400 4.550 0.005 0.000 0.284 491 Y C 2.866 178.672 175.900 -0.156 0.000 1.166 491 Y CA 1.192 59.143 58.100 -0.248 0.000 1.163 491 Y CB -0.928 37.400 38.460 -0.219 0.000 0.974 491 Y HN 0.312 nan 8.280 nan 0.000 0.511 492 M N -0.925 118.704 119.600 0.048 0.000 2.156 492 M HA -0.113 4.370 4.480 0.006 0.000 0.264 492 M C 1.707 177.995 176.300 -0.020 0.000 1.067 492 M CA 1.627 56.936 55.300 0.014 0.000 1.131 492 M CB -0.206 32.403 32.600 0.015 0.000 1.368 492 M HN 0.283 nan 8.290 nan 0.000 0.416 493 L N 0.338 121.540 121.223 -0.035 0.000 2.044 493 L HA -0.058 4.286 4.340 0.006 0.000 0.205 493 L C 2.901 179.737 176.870 -0.057 0.000 1.075 493 L CA 0.932 55.746 54.840 -0.044 0.000 0.747 493 L CB -1.091 40.938 42.059 -0.049 0.000 0.903 493 L HN 0.419 nan 8.230 nan 0.000 0.435 494 A N 0.636 123.419 122.820 -0.062 0.000 1.881 494 A HA -0.347 3.977 4.320 0.006 0.000 0.219 494 A C 2.520 180.041 177.584 -0.104 0.000 1.215 494 A CA 2.461 54.451 52.037 -0.078 0.000 0.648 494 A CB -1.025 17.930 19.000 -0.076 0.000 0.832 494 A HN 0.437 nan 8.150 nan 0.000 0.455 495 A N -1.281 121.495 122.820 -0.074 0.000 1.986 495 A HA -0.262 4.061 4.320 0.006 0.000 0.220 495 A C 2.207 179.745 177.584 -0.076 0.000 1.171 495 A CA 2.094 54.095 52.037 -0.060 0.000 0.640 495 A CB -0.552 18.425 19.000 -0.038 0.000 0.811 495 A HN 0.749 nan 8.150 nan 0.000 0.451 496 Q N -0.803 118.961 119.800 -0.061 0.000 2.033 496 Q HA -0.114 4.229 4.340 0.006 0.000 0.196 496 Q C 2.347 178.317 176.000 -0.050 0.000 0.970 496 Q CA 0.982 56.764 55.803 -0.036 0.000 0.828 496 Q CB -0.117 28.616 28.738 -0.009 0.000 0.895 496 Q HN 0.651 nan 8.270 nan 0.000 0.440 497 R N 0.275 120.726 120.500 -0.082 0.000 2.096 497 R HA -0.154 4.189 4.340 0.006 0.000 0.240 497 R C 2.042 178.249 176.300 -0.155 0.000 1.139 497 R CA 1.615 57.654 56.100 -0.102 0.000 0.952 497 R CB -0.310 29.928 30.300 -0.103 0.000 0.854 497 R HN 0.356 nan 8.270 nan 0.000 0.436 498 N N -0.129 118.403 118.700 -0.279 0.000 2.166 498 N HA -0.110 4.634 4.740 0.006 0.000 0.186 498 N C 1.774 177.131 175.510 -0.255 0.000 1.019 498 N CA 1.481 54.178 53.050 -0.590 0.000 0.856 498 N CB -0.618 37.279 38.487 -0.984 0.000 0.993 498 N HN 0.349 nan 8.380 nan 0.000 0.426 499 G N 1.341 110.085 108.800 -0.094 0.000 2.418 499 G HA2 -0.212 3.752 3.960 0.006 0.000 0.217 499 G HA3 -0.212 3.752 3.960 0.006 0.000 0.217 499 G C 1.446 176.371 174.900 0.042 0.000 1.158 499 G CA 0.568 45.673 45.100 0.009 0.000 0.771 499 G HN 0.224 nan 8.290 nan 0.000 0.545 500 E N 0.448 120.668 120.200 0.033 0.000 2.150 500 E HA -0.032 4.321 4.350 0.006 0.000 0.193 500 E C 2.526 179.161 176.600 0.058 0.000 0.985 500 E CA 0.247 56.687 56.400 0.067 0.000 0.814 500 E CB -0.266 29.479 29.700 0.075 0.000 0.752 500 E HN 0.513 nan 8.360 nan 0.000 0.466 501 I N 1.062 121.659 120.570 0.044 0.000 2.151 501 I HA -0.300 3.874 4.170 0.006 0.000 0.243 501 I C 2.341 178.524 176.117 0.110 0.000 1.080 501 I CA 1.165 62.518 61.300 0.088 0.000 1.339 501 I CB -0.216 37.879 38.000 0.158 0.000 1.039 501 I HN 0.066 nan 8.210 nan 0.000 0.409 502 I N 0.119 120.776 120.570 0.146 0.000 2.315 502 I HA -0.270 3.903 4.170 0.006 0.000 0.248 502 I C 2.368 178.538 176.117 0.088 0.000 1.117 502 I CA 1.376 62.768 61.300 0.152 0.000 1.404 502 I CB -0.491 37.630 38.000 0.201 0.000 1.071 502 I HN 0.215 nan 8.210 nan 0.000 0.419 503 K N 0.596 121.045 120.400 0.082 0.000 2.148 503 K HA -0.131 4.192 4.320 0.006 0.000 0.204 503 K C 2.011 178.627 176.600 0.027 0.000 1.050 503 K CA 0.963 57.304 56.287 0.090 0.000 0.942 503 K CB -0.010 32.558 32.500 0.112 0.000 0.724 503 K HN 0.318 nan 8.250 nan 0.000 0.446 504 E N 0.699 120.869 120.200 -0.050 0.000 2.051 504 E HA -0.168 4.186 4.350 0.006 0.000 0.192 504 E C 2.088 178.416 176.600 -0.454 0.000 0.991 504 E CA 1.086 57.331 56.400 -0.260 0.000 0.799 504 E CB -0.140 29.506 29.700 -0.091 0.000 0.748 504 E HN 0.287 nan 8.360 nan 0.000 0.449 505 A N 1.265 123.982 122.820 -0.172 0.000 2.084 505 A HA -0.142 4.182 4.320 0.006 0.000 0.221 505 A C 2.077 179.603 177.584 -0.097 0.000 1.161 505 A CA 0.914 52.886 52.037 -0.108 0.000 0.653 505 A CB -0.577 18.421 19.000 -0.004 0.000 0.802 505 A HN 0.160 nan 8.150 nan 0.000 0.457 506 L N 0.040 121.218 121.223 -0.074 0.000 2.645 506 L HA 0.020 4.363 4.340 0.006 0.000 0.235 506 L C 0.888 177.917 176.870 0.265 0.000 1.150 506 L CA -0.064 54.831 54.840 0.091 0.000 0.911 506 L CB -0.258 41.889 42.059 0.148 0.000 1.077 506 L HN 0.512 nan 8.230 nan 0.000 0.438 507 H N -2.046 117.048 119.070 0.040 0.000 2.542 507 H HA 0.163 4.722 4.556 0.005 0.000 0.283 507 H C 0.737 176.084 175.328 0.032 0.000 1.059 507 H CA -0.191 55.877 56.048 0.035 0.000 1.162 507 H CB -0.255 29.529 29.762 0.037 0.000 1.539 507 H HN 0.286 nan 8.280 nan 0.000 0.543 508 N N 1.411 120.149 118.700 0.064 0.000 2.416 508 N HA 0.058 4.801 4.740 0.006 0.000 0.267 508 N C -2.651 172.881 175.510 0.037 0.000 1.294 508 N CA -1.262 51.813 53.050 0.040 0.000 0.891 508 N CB 0.696 39.189 38.487 0.010 0.000 1.238 508 N HN -0.002 nan 8.380 nan 0.000 0.508 509 P HA 0.092 nan 4.420 nan 0.000 0.261 509 P C -1.007 176.312 177.300 0.032 0.000 1.203 509 P CA 0.190 63.315 63.100 0.042 0.000 0.767 509 P CB -0.102 31.628 31.700 0.051 0.000 0.785 510 N N 3.194 121.908 118.700 0.024 0.000 2.422 510 N HA 0.187 4.930 4.740 0.006 0.000 0.266 510 N C -0.128 175.392 175.510 0.016 0.000 1.007 510 N CA -0.657 52.404 53.050 0.019 0.000 0.941 510 N CB 0.564 39.059 38.487 0.014 0.000 1.115 510 N HN 0.335 nan 8.380 nan 0.000 0.492 511 L N 2.611 123.844 121.223 0.015 0.000 2.623 511 L HA 0.205 4.548 4.340 0.006 0.000 0.281 511 L C -0.009 176.868 176.870 0.010 0.000 1.150 511 L CA 1.077 55.925 54.840 0.013 0.000 0.965 511 L CB -1.308 40.759 42.059 0.013 0.000 1.303 511 L HN 0.646 nan 8.230 nan 0.000 0.467 512 S N 2.950 118.656 115.700 0.010 0.000 2.597 512 S HA 0.500 4.973 4.470 0.006 0.000 0.274 512 S C -1.299 173.306 174.600 0.008 0.000 1.132 512 S CA -0.548 57.657 58.200 0.008 0.000 0.835 512 S CB 1.601 64.805 63.200 0.007 0.000 1.092 512 S HN 0.110 nan 8.310 nan 0.000 0.457 513 V N 3.663 123.581 119.914 0.006 0.000 2.357 513 V HA 0.589 4.712 4.120 0.006 0.000 0.284 513 V C -0.960 175.137 176.094 0.005 0.000 1.018 513 V CA -0.374 61.929 62.300 0.006 0.000 0.841 513 V CB 0.882 32.707 31.823 0.004 0.000 0.991 513 V HN 0.928 nan 8.190 nan 0.000 0.437 514 D N 2.257 122.662 120.400 0.007 0.000 2.579 514 D HA 0.610 5.253 4.640 0.006 0.000 0.257 514 D C -0.798 175.508 176.300 0.010 0.000 1.176 514 D CA -0.978 53.026 54.000 0.007 0.000 0.914 514 D CB 1.314 42.117 40.800 0.006 0.000 1.431 514 D HN 0.622 nan 8.370 nan 0.000 0.454 515 E N -0.509 119.698 120.200 0.011 0.000 2.222 515 E HA 0.532 4.886 4.350 0.006 0.000 0.272 515 E C -2.371 174.242 176.600 0.021 0.000 0.982 515 E CA -1.914 54.496 56.400 0.017 0.000 0.842 515 E CB 1.016 30.726 29.700 0.016 0.000 1.144 515 E HN 0.183 nan 8.360 nan 0.000 0.397 516 P HA -0.001 nan 4.420 nan 0.000 0.272 516 P C -0.351 176.969 177.300 0.033 0.000 1.254 516 P CA -0.539 62.591 63.100 0.050 0.000 0.795 516 P CB 0.555 32.308 31.700 0.088 0.000 1.022 517 L N 0.476 121.712 121.223 0.021 0.000 2.600 517 L HA 0.292 4.635 4.340 0.006 0.000 0.221 517 L C 0.572 177.431 176.870 -0.018 0.000 1.197 517 L CA 0.511 55.331 54.840 -0.033 0.000 0.838 517 L CB -0.681 41.309 42.059 -0.116 0.000 1.474 517 L HN 0.422 nan 8.230 nan 0.000 0.514 518 D N 0.071 120.436 120.400 -0.058 0.000 2.412 518 D HA 0.441 5.084 4.640 0.006 0.000 0.276 518 D C -0.992 175.253 176.300 -0.093 0.000 1.196 518 D CA -0.129 53.849 54.000 -0.036 0.000 0.905 518 D CB 0.402 41.194 40.800 -0.013 0.000 1.081 518 D HN 0.215 nan 8.370 nan 0.000 0.502 519 V N -0.147 119.664 119.914 -0.171 0.000 3.046 519 V HA 0.658 4.782 4.120 0.006 0.000 0.316 519 V C -0.264 175.723 176.094 -0.177 0.000 1.104 519 V CA -0.985 61.171 62.300 -0.240 0.000 1.006 519 V CB 2.123 33.679 31.823 -0.446 0.000 1.058 519 V HN 0.226 nan 8.190 nan 0.000 0.440 520 D N 0.237 120.616 120.400 -0.034 0.000 2.412 520 D HA 0.333 4.976 4.640 0.006 0.000 0.224 520 D C -0.052 176.343 176.300 0.159 0.000 1.093 520 D CA -0.289 53.784 54.000 0.122 0.000 0.850 520 D CB 1.141 42.087 40.800 0.244 0.000 1.046 520 D HN 0.597 nan 8.370 nan 0.000 0.507 521 Y N 2.313 122.700 120.300 0.145 0.000 2.632 521 Y HA 0.053 4.606 4.550 0.006 0.000 0.301 521 Y C 2.138 177.996 175.900 -0.070 0.000 1.172 521 Y CA 0.332 58.485 58.100 0.090 0.000 1.328 521 Y CB 0.103 38.592 38.460 0.048 0.000 1.016 521 Y HN 0.280 nan 8.280 nan 0.000 0.529 522 R N -0.663 119.798 120.500 -0.066 0.000 2.280 522 R HA 0.034 4.378 4.340 0.006 0.000 0.207 522 R C -0.684 175.228 176.300 -0.647 0.000 1.043 522 R CA 0.522 56.363 56.100 -0.433 0.000 1.006 522 R CB -0.054 29.718 30.300 -0.881 0.000 0.885 522 R HN 0.139 nan 8.270 nan 0.000 0.467 523 F N -0.194 119.798 119.950 0.069 0.000 2.577 523 F HA 0.234 4.764 4.527 0.005 0.000 0.318 523 F C 0.150 175.979 175.800 0.049 0.000 1.065 523 F CA -1.543 56.496 58.000 0.065 0.000 0.929 523 F CB 0.992 40.029 39.000 0.060 0.000 1.237 523 F HN -0.274 nan 8.300 nan 0.000 0.468 524 D N 2.637 123.173 120.400 0.228 0.000 2.346 524 D HA 0.026 4.670 4.640 0.006 0.000 0.267 524 D C -0.027 176.405 176.300 0.221 0.000 1.320 524 D CA 0.260 54.331 54.000 0.118 0.000 0.951 524 D CB 0.031 40.883 40.800 0.086 0.000 1.079 524 D HN 0.156 nan 8.370 nan 0.000 0.509 525 F N 2.007 121.985 119.950 0.046 0.000 2.080 525 F HA -0.196 4.334 4.527 0.005 0.000 0.388 525 F C 1.625 177.430 175.800 0.009 0.000 0.981 525 F CA -0.196 57.809 58.000 0.009 0.000 0.887 525 F CB -1.502 37.499 39.000 0.001 0.000 0.724 525 F HN 0.088 nan 8.300 nan 0.000 0.486 526 S N 1.912 117.711 115.700 0.166 0.000 2.558 526 S HA -0.048 4.426 4.470 0.006 0.000 0.291 526 S C 1.282 175.906 174.600 0.040 0.000 1.306 526 S CA -0.469 57.774 58.200 0.072 0.000 1.056 526 S CB 0.689 63.904 63.200 0.024 0.000 0.836 526 S HN 0.506 nan 8.310 nan 0.000 0.504 527 D N 1.920 122.340 120.400 0.033 0.000 2.191 527 D HA -0.190 4.453 4.640 0.006 0.000 0.195 527 D C 2.147 178.442 176.300 -0.008 0.000 1.003 527 D CA 2.050 56.062 54.000 0.020 0.000 0.867 527 D CB -0.113 40.696 40.800 0.015 0.000 0.926 527 D HN 0.896 nan 8.370 nan 0.000 0.450 528 E N 0.510 120.695 120.200 -0.024 0.000 2.072 528 E HA -0.153 4.201 4.350 0.006 0.000 0.191 528 E C 2.460 179.015 176.600 -0.075 0.000 0.985 528 E CA 0.621 56.996 56.400 -0.042 0.000 0.801 528 E CB -0.653 29.022 29.700 -0.041 0.000 0.750 528 E HN 0.357 nan 8.360 nan 0.000 0.452 529 I N 1.669 122.169 120.570 -0.115 0.000 2.208 529 I HA -0.286 3.888 4.170 0.006 0.000 0.245 529 I C 2.527 178.527 176.117 -0.195 0.000 1.097 529 I CA 1.667 62.835 61.300 -0.220 0.000 1.363 529 I CB -0.298 37.464 38.000 -0.397 0.000 1.051 529 I HN 0.028 nan 8.210 nan 0.000 0.413 530 K N 0.576 120.918 120.400 -0.097 0.000 2.097 530 K HA -0.235 4.089 4.320 0.006 0.000 0.206 530 K C 2.040 178.628 176.600 -0.020 0.000 1.049 530 K CA 1.694 57.973 56.287 -0.014 0.000 0.933 530 K CB -0.257 32.280 32.500 0.062 0.000 0.717 530 K HN 0.504 nan 8.250 nan 0.000 0.442 531 E N 1.706 121.889 120.200 -0.029 0.000 2.112 531 E HA -0.154 4.200 4.350 0.006 0.000 0.190 531 E C 1.567 178.147 176.600 -0.033 0.000 0.979 531 E CA 0.841 57.228 56.400 -0.022 0.000 0.814 531 E CB 0.132 29.822 29.700 -0.017 0.000 0.762 531 E HN 0.103 nan 8.360 nan 0.000 0.460 532 K N 0.456 120.822 120.400 -0.056 0.000 2.097 532 K HA -0.100 4.223 4.320 0.006 0.000 0.206 532 K C 2.221 178.789 176.600 -0.053 0.000 1.049 532 K CA 1.083 57.334 56.287 -0.060 0.000 0.933 532 K CB -0.178 32.271 32.500 -0.086 0.000 0.717 532 K HN 0.273 nan 8.250 nan 0.000 0.442 533 I N 1.649 122.181 120.570 -0.062 0.000 2.226 533 I HA -0.263 3.910 4.170 0.006 0.000 0.245 533 I C 1.989 178.100 176.117 -0.010 0.000 1.100 533 I CA 1.342 62.620 61.300 -0.036 0.000 1.374 533 I CB -0.091 37.896 38.000 -0.023 0.000 1.057 533 I HN 0.077 nan 8.210 nan 0.000 0.413 534 K N 0.898 121.292 120.400 -0.009 0.000 2.442 534 K HA -0.192 4.131 4.320 0.006 0.000 0.200 534 K C 1.365 177.964 176.600 -0.002 0.000 1.045 534 K CA 1.066 57.350 56.287 -0.004 0.000 0.937 534 K CB -0.118 32.379 32.500 -0.004 0.000 0.757 534 K HN 0.493 nan 8.250 nan 0.000 0.474 535 K N -0.379 120.019 120.400 -0.004 0.000 2.355 535 K HA 0.141 4.464 4.320 0.006 0.000 0.198 535 K C 0.143 176.744 176.600 0.002 0.000 1.039 535 K CA -0.326 55.960 56.287 -0.001 0.000 1.075 535 K CB 0.375 32.871 32.500 -0.005 0.000 0.870 535 K HN -0.122 nan 8.250 nan 0.000 0.540 536 L N 2.117 123.343 121.223 0.004 0.000 2.439 536 L HA 0.187 4.531 4.340 0.006 0.000 0.259 536 L C 0.605 177.485 176.870 0.018 0.000 1.129 536 L CA -0.154 54.692 54.840 0.010 0.000 0.803 536 L CB 1.428 43.493 42.059 0.011 0.000 1.161 536 L HN 0.205 nan 8.230 nan 0.000 0.462 537 S N 0.195 115.907 115.700 0.020 0.000 2.669 537 S HA 0.561 5.035 4.470 0.006 0.000 0.270 537 S C 0.973 175.592 174.600 0.030 0.000 1.225 537 S CA -0.114 58.100 58.200 0.023 0.000 0.991 537 S CB 1.027 64.238 63.200 0.018 0.000 0.987 537 S HN 0.721 nan 8.310 nan 0.000 0.552 538 A N 2.044 124.883 122.820 0.031 0.000 1.835 538 A HA -0.060 4.263 4.320 0.006 0.000 0.215 538 A C 2.159 179.763 177.584 0.032 0.000 1.199 538 A CA 1.591 53.650 52.037 0.037 0.000 0.615 538 A CB -1.225 17.795 19.000 0.034 0.000 0.838 538 A HN 0.900 nan 8.150 nan 0.000 0.444 539 K N -0.129 120.284 120.400 0.021 0.000 2.108 539 K HA -0.258 4.066 4.320 0.006 0.000 0.219 539 K C 2.276 178.891 176.600 0.025 0.000 1.054 539 K CA 2.364 58.660 56.287 0.015 0.000 0.945 539 K CB -0.610 31.895 32.500 0.009 0.000 0.728 539 K HN 0.447 nan 8.250 nan 0.000 0.462 540 S N 0.512 116.231 115.700 0.031 0.000 2.335 540 S HA 0.021 4.494 4.470 0.006 0.000 0.217 540 S C 2.070 176.708 174.600 0.064 0.000 1.032 540 S CA 0.904 59.129 58.200 0.042 0.000 0.985 540 S CB -0.146 63.075 63.200 0.034 0.000 0.896 540 S HN 0.270 nan 8.310 nan 0.000 0.445 541 L N 1.567 122.828 121.223 0.064 0.000 1.990 541 L HA -0.241 4.103 4.340 0.006 0.000 0.213 541 L C 2.065 178.996 176.870 0.101 0.000 1.072 541 L CA 1.624 56.516 54.840 0.087 0.000 0.755 541 L CB -0.972 41.132 42.059 0.075 0.000 0.889 541 L HN 0.376 nan 8.230 nan 0.000 0.432 542 N N -0.717 118.031 118.700 0.079 0.000 2.137 542 N HA -0.228 4.516 4.740 0.006 0.000 0.190 542 N C 1.840 177.411 175.510 0.101 0.000 1.017 542 N CA 1.111 54.209 53.050 0.079 0.000 0.859 542 N CB -0.011 38.503 38.487 0.046 0.000 1.002 542 N HN 0.255 nan 8.380 nan 0.000 0.428 543 E N 0.361 120.615 120.200 0.089 0.000 2.152 543 E HA -0.073 4.280 4.350 0.006 0.000 0.192 543 E C 1.851 178.556 176.600 0.176 0.000 0.983 543 E CA 0.760 57.225 56.400 0.108 0.000 0.818 543 E CB 0.044 29.785 29.700 0.069 0.000 0.758 543 E HN 0.506 nan 8.360 nan 0.000 0.467 544 M N -0.238 119.472 119.600 0.183 0.000 2.200 544 M HA -0.121 4.362 4.480 0.006 0.000 0.265 544 M C 2.354 178.751 176.300 0.162 0.000 1.066 544 M CA 0.740 56.197 55.300 0.261 0.000 1.127 544 M CB -0.406 32.390 32.600 0.327 0.000 1.379 544 M HN 0.071 nan 8.290 nan 0.000 0.420 545 L N 0.643 121.955 121.223 0.149 0.000 2.017 545 L HA -0.157 4.186 4.340 0.006 0.000 0.208 545 L C 2.318 179.206 176.870 0.030 0.000 1.073 545 L CA 1.853 56.751 54.840 0.095 0.000 0.745 545 L CB -0.932 41.191 42.059 0.105 0.000 0.894 545 L HN 0.211 nan 8.230 nan 0.000 0.432 546 F N 0.108 120.023 119.950 -0.058 0.000 2.171 546 F HA -0.177 4.353 4.527 0.005 0.000 0.300 546 F C 2.483 178.192 175.800 -0.151 0.000 1.090 546 F CA 1.478 59.428 58.000 -0.084 0.000 1.293 546 F CB -0.173 38.795 39.000 -0.054 0.000 1.013 546 F HN -0.004 nan 8.300 nan 0.000 0.486 547 R N -0.062 120.351 120.500 -0.144 0.000 2.148 547 R HA 0.003 4.347 4.340 0.006 0.000 0.223 547 R C 2.404 178.248 176.300 -0.760 0.000 1.088 547 R CA 0.859 56.727 56.100 -0.385 0.000 0.985 547 R CB -0.497 29.646 30.300 -0.262 0.000 0.880 547 R HN 0.397 nan 8.270 nan 0.000 0.451 548 A N 0.935 123.294 122.820 -0.768 0.000 1.929 548 A HA -0.152 4.171 4.320 0.006 0.000 0.216 548 A C 1.888 179.260 177.584 -0.352 0.000 1.176 548 A CA 0.945 52.602 52.037 -0.632 0.000 0.628 548 A CB -0.143 18.706 19.000 -0.252 0.000 0.816 548 A HN 0.291 nan 8.150 nan 0.000 0.444 549 Q N -1.049 118.552 119.800 -0.331 0.000 2.245 549 Q HA -0.021 4.323 4.340 0.006 0.000 0.201 549 Q C 2.029 177.839 176.000 -0.317 0.000 0.955 549 Q CA 0.488 56.131 55.803 -0.266 0.000 0.870 549 Q CB -0.069 28.532 28.738 -0.228 0.000 0.945 549 Q HN 0.348 nan 8.270 nan 0.000 0.461 550 R N 0.290 120.520 120.500 -0.451 0.000 2.090 550 R HA 0.003 4.346 4.340 0.006 0.000 0.228 550 R C 2.069 178.228 176.300 -0.235 0.000 1.110 550 R CA 1.119 56.992 56.100 -0.379 0.000 0.973 550 R CB -0.832 29.197 30.300 -0.451 0.000 0.869 550 R HN 0.216 nan 8.270 nan 0.000 0.440 551 T N 0.979 115.394 114.554 -0.232 0.000 2.867 551 T HA -0.123 4.230 4.350 0.006 0.000 0.268 551 T C 1.657 176.303 174.700 -0.090 0.000 1.057 551 T CA 1.384 63.404 62.100 -0.133 0.000 1.136 551 T CB 0.066 68.872 68.868 -0.103 0.000 0.874 551 T HN 0.429 nan 8.240 nan 0.000 0.466 552 E N 0.586 120.721 120.200 -0.108 0.000 2.086 552 E HA -0.070 4.283 4.350 0.006 0.000 0.190 552 E C 2.223 178.793 176.600 -0.048 0.000 0.975 552 E CA 0.611 56.973 56.400 -0.063 0.000 0.813 552 E CB -0.028 29.631 29.700 -0.069 0.000 0.768 552 E HN 0.225 nan 8.360 nan 0.000 0.457 553 V N 1.840 121.709 119.914 -0.075 0.000 2.332 553 V HA -0.310 3.814 4.120 0.006 0.000 0.248 553 V C 2.589 178.658 176.094 -0.041 0.000 1.055 553 V CA 1.943 64.212 62.300 -0.053 0.000 1.038 553 V CB -0.899 30.874 31.823 -0.082 0.000 0.651 553 V HN 0.454 nan 8.190 nan 0.000 0.450 554 A N 0.391 123.174 122.820 -0.060 0.000 1.883 554 A HA -0.143 4.180 4.320 0.006 0.000 0.217 554 A C 2.414 179.992 177.584 -0.010 0.000 1.186 554 A CA 2.161 54.172 52.037 -0.044 0.000 0.624 554 A CB -1.206 17.766 19.000 -0.046 0.000 0.822 554 A HN 0.547 nan 8.150 nan 0.000 0.444 555 G N -1.066 107.746 108.800 0.021 0.000 2.403 555 G HA2 -0.108 3.856 3.960 0.006 0.000 0.216 555 G HA3 -0.108 3.856 3.960 0.006 0.000 0.216 555 G C 1.502 176.421 174.900 0.032 0.000 1.154 555 G CA 1.351 46.498 45.100 0.078 0.000 0.784 555 G HN 0.468 nan 8.290 nan 0.000 0.538 556 M N 1.189 120.798 119.600 0.016 0.000 2.108 556 M HA -0.028 4.456 4.480 0.006 0.000 0.261 556 M C 2.400 178.716 176.300 0.027 0.000 1.066 556 M CA 2.068 57.378 55.300 0.016 0.000 1.107 556 M CB -0.953 31.662 32.600 0.024 0.000 1.356 556 M HN 0.092 nan 8.290 nan 0.000 0.406 557 T N 0.548 115.126 114.554 0.040 0.000 2.746 557 T HA -0.045 4.308 4.350 0.006 0.000 0.267 557 T C 1.758 176.448 174.700 -0.017 0.000 1.039 557 T CA 1.691 63.844 62.100 0.087 0.000 1.142 557 T CB -0.601 68.327 68.868 0.099 0.000 0.866 557 T HN 0.586 nan 8.240 nan 0.000 0.444 558 A N 1.090 123.838 122.820 -0.120 0.000 1.930 558 A HA -0.101 4.223 4.320 0.006 0.000 0.217 558 A C 2.302 179.759 177.584 -0.211 0.000 1.175 558 A CA 1.482 53.335 52.037 -0.307 0.000 0.627 558 A CB -0.543 18.024 19.000 -0.722 0.000 0.815 558 A HN 0.458 nan 8.150 nan 0.000 0.443 559 Q N -0.276 119.470 119.800 -0.089 0.000 2.049 559 Q HA -0.034 4.309 4.340 0.006 0.000 0.198 559 Q C 1.941 177.926 176.000 -0.026 0.000 0.971 559 Q CA 1.349 57.138 55.803 -0.023 0.000 0.833 559 Q CB -0.192 28.549 28.738 0.003 0.000 0.896 559 Q HN 0.625 nan 8.270 nan 0.000 0.434 560 I N 1.341 121.889 120.570 -0.037 0.000 2.761 560 I HA -0.155 4.018 4.170 0.006 0.000 0.261 560 I C 1.146 177.261 176.117 -0.003 0.000 1.198 560 I CA 0.474 61.721 61.300 -0.088 0.000 1.482 560 I CB -0.082 37.796 38.000 -0.203 0.000 1.100 560 I HN 0.230 nan 8.210 nan 0.000 0.445 561 N N 0.653 119.370 118.700 0.029 0.000 2.422 561 N HA -0.004 4.739 4.740 0.006 0.000 0.181 561 N C 1.641 177.133 175.510 -0.030 0.000 1.080 561 N CA 0.452 53.512 53.050 0.018 0.000 0.893 561 N CB 0.149 38.523 38.487 -0.189 0.000 0.973 561 N HN 0.380 nan 8.380 nan 0.000 0.456 562 R N 0.870 121.355 120.500 -0.025 0.000 2.140 562 R HA 0.064 4.407 4.340 0.006 0.000 0.213 562 R C 2.112 178.469 176.300 0.096 0.000 1.059 562 R CA 0.510 56.617 56.100 0.011 0.000 1.000 562 R CB 0.083 30.382 30.300 -0.002 0.000 0.910 562 R HN 0.131 nan 8.270 nan 0.000 0.455 563 K N 1.145 121.593 120.400 0.080 0.000 2.063 563 K HA -0.181 4.143 4.320 0.006 0.000 0.208 563 K C 1.974 178.645 176.600 0.118 0.000 1.048 563 K CA 1.272 57.612 56.287 0.088 0.000 0.928 563 K CB -0.130 32.383 32.500 0.021 0.000 0.713 563 K HN 0.032 nan 8.250 nan 0.000 0.442 564 L N 1.274 122.584 121.223 0.146 0.000 2.017 564 L HA -0.130 4.213 4.340 0.006 0.000 0.208 564 L C 2.180 179.189 176.870 0.232 0.000 1.073 564 L CA 1.419 56.398 54.840 0.231 0.000 0.745 564 L CB -0.725 41.542 42.059 0.348 0.000 0.894 564 L HN 0.330 nan 8.230 nan 0.000 0.432 565 L N -0.074 121.280 121.223 0.218 0.000 1.994 565 L HA -0.197 4.146 4.340 0.006 0.000 0.208 565 L C 2.437 179.596 176.870 0.481 0.000 1.071 565 L CA 2.338 57.361 54.840 0.305 0.000 0.745 565 L CB -0.669 41.479 42.059 0.148 0.000 0.892 565 L HN 0.493 nan 8.230 nan 0.000 0.431 566 I N -3.170 117.627 120.570 0.378 0.000 2.252 566 I HA -0.239 3.935 4.170 0.006 0.000 0.245 566 I C 1.994 178.212 176.117 0.168 0.000 1.102 566 I CA 2.010 63.500 61.300 0.317 0.000 1.385 566 I CB -1.060 37.073 38.000 0.223 0.000 1.064 566 I HN 0.329 nan 8.210 nan 0.000 0.414 567 N N 1.207 120.008 118.700 0.168 0.000 2.289 567 N HA -0.125 4.618 4.740 0.006 0.000 0.184 567 N C 1.878 177.517 175.510 0.214 0.000 1.016 567 N CA 1.317 54.475 53.050 0.181 0.000 0.872 567 N CB -0.073 38.489 38.487 0.125 0.000 0.973 567 N HN 0.368 nan 8.380 nan 0.000 0.433 568 S N 0.871 116.684 115.700 0.188 0.000 2.423 568 S HA -0.043 4.431 4.470 0.006 0.000 0.231 568 S C 1.752 176.339 174.600 -0.023 0.000 1.014 568 S CA 0.370 58.648 58.200 0.131 0.000 0.965 568 S CB -0.071 63.261 63.200 0.221 0.000 0.785 568 S HN 0.233 nan 8.310 nan 0.000 0.495 569 L N 1.164 122.294 121.223 -0.155 0.000 2.056 569 L HA -0.017 4.326 4.340 0.006 0.000 0.207 569 L C 1.990 178.664 176.870 -0.325 0.000 1.078 569 L CA 1.681 56.149 54.840 -0.620 0.000 0.749 569 L CB -1.198 40.129 42.059 -1.220 0.000 0.901 569 L HN 0.399 nan 8.230 nan 0.000 0.433 570 Y N 0.353 120.543 120.300 -0.183 0.000 2.102 570 Y HA -0.197 4.356 4.550 0.006 0.000 0.280 570 Y C 2.178 178.079 175.900 0.003 0.000 1.178 570 Y CA 1.934 60.004 58.100 -0.050 0.000 1.146 570 Y CB -1.104 37.411 38.460 0.092 0.000 0.968 570 Y HN 0.161 nan 8.280 nan 0.000 0.504 571 G N -0.040 108.381 108.800 -0.632 0.000 2.404 571 G HA2 -0.199 3.765 3.960 0.006 0.000 0.215 571 G HA3 -0.199 3.765 3.960 0.006 0.000 0.215 571 G C 1.885 176.562 174.900 -0.372 0.000 1.174 571 G CA 1.188 45.904 45.100 -0.641 0.000 0.780 571 G HN 0.702 nan 8.290 nan 0.000 0.537 572 A N 0.715 123.315 122.820 -0.367 0.000 1.986 572 A HA -0.012 4.311 4.320 0.006 0.000 0.220 572 A C 2.357 179.876 177.584 -0.108 0.000 1.171 572 A CA 1.401 53.160 52.037 -0.463 0.000 0.640 572 A CB -0.415 17.796 19.000 -1.316 0.000 0.811 572 A HN 0.382 nan 8.150 nan 0.000 0.451 573 L N -1.039 120.143 121.223 -0.068 0.000 2.362 573 L HA -0.042 4.301 4.340 0.006 0.000 0.219 573 L C 2.152 179.033 176.870 0.018 0.000 1.134 573 L CA 0.714 55.638 54.840 0.139 0.000 0.807 573 L CB -0.246 41.836 42.059 0.038 0.000 0.927 573 L HN 0.470 nan 8.230 nan 0.000 0.447 574 G N -0.964 107.828 108.800 -0.013 0.000 3.523 574 G HA2 -0.004 3.959 3.960 0.006 0.000 0.270 574 G HA3 -0.004 3.959 3.960 0.006 0.000 0.270 574 G C 0.044 175.156 174.900 0.353 0.000 1.134 574 G CA -0.205 44.953 45.100 0.096 0.000 0.825 574 G HN 0.157 nan 8.290 nan 0.000 0.534 575 N N 0.715 119.643 118.700 0.379 0.000 2.346 575 N HA 0.113 4.856 4.740 0.006 0.000 0.289 575 N C 1.229 176.763 175.510 0.040 0.000 1.027 575 N CA -0.456 52.720 53.050 0.209 0.000 0.864 575 N CB 2.503 41.093 38.487 0.172 0.000 1.370 575 N HN -0.038 nan 8.380 nan 0.000 0.481 576 V N 1.344 121.006 119.914 -0.420 0.000 3.305 576 V HA 0.082 4.205 4.120 0.006 0.000 0.269 576 V C 0.886 176.617 176.094 -0.605 0.000 1.157 576 V CA 0.666 62.419 62.300 -0.911 0.000 1.157 576 V CB -0.900 30.348 31.823 -0.958 0.000 0.772 576 V HN 0.618 nan 8.190 nan 0.000 0.498 577 W N -0.796 120.498 121.300 -0.010 0.000 3.290 577 W HA 0.445 5.109 4.660 0.006 0.000 0.287 577 W C 0.661 177.280 176.519 0.167 0.000 1.288 577 W CA -0.805 56.570 57.345 0.051 0.000 1.725 577 W CB 0.144 29.628 29.460 0.040 0.000 1.103 577 W HN 0.192 nan 8.180 nan 0.000 0.670 578 F N 1.919 121.971 119.950 0.170 0.000 2.410 578 F HA 0.288 4.818 4.527 0.006 0.000 0.349 578 F C 1.766 177.634 175.800 0.114 0.000 1.117 578 F CA -2.030 56.080 58.000 0.183 0.000 1.104 578 F CB 0.829 39.959 39.000 0.215 0.000 1.122 578 F HN -0.132 nan 8.300 nan 0.000 0.483 579 R N 3.748 124.052 120.500 -0.328 0.000 2.170 579 R HA -0.209 4.135 4.340 0.006 0.000 0.242 579 R C 0.148 175.994 176.300 -0.756 0.000 1.145 579 R CA 2.077 57.845 56.100 -0.555 0.000 0.984 579 R CB -0.305 29.590 30.300 -0.676 0.000 0.869 579 R HN 0.740 nan 8.270 nan 0.000 0.455 580 Y N -1.175 118.715 120.300 -0.684 0.000 2.555 580 Y HA 0.114 4.667 4.550 0.006 0.000 0.259 580 Y C -0.326 175.516 175.900 -0.096 0.000 1.179 580 Y CA -1.043 56.826 58.100 -0.385 0.000 1.230 580 Y CB -0.160 38.025 38.460 -0.459 0.000 1.146 580 Y HN 0.020 nan 8.280 nan 0.000 0.526 581 Y N 2.836 123.140 120.300 0.007 0.000 2.996 581 Y HA -0.053 4.500 4.550 0.006 0.000 0.347 581 Y C -0.148 175.719 175.900 -0.055 0.000 1.276 581 Y CA 0.603 58.746 58.100 0.072 0.000 1.601 581 Y CB 0.273 38.725 38.460 -0.013 0.000 1.193 581 Y HN 0.170 nan 8.280 nan 0.000 0.582 582 D N 6.498 126.562 120.400 -0.560 0.000 2.548 582 D HA 0.067 4.710 4.640 0.006 0.000 0.214 582 D C -0.158 175.772 176.300 -0.617 0.000 1.345 582 D CA -0.492 53.134 54.000 -0.622 0.000 0.945 582 D CB 1.160 41.817 40.800 -0.238 0.000 1.499 582 D HN 0.574 nan 8.370 nan 0.000 0.579 583 L N 3.443 124.210 121.223 -0.760 0.000 2.187 583 L HA -0.009 4.335 4.340 0.006 0.000 0.213 583 L C 2.427 179.086 176.870 -0.352 0.000 1.100 583 L CA 1.432 55.931 54.840 -0.569 0.000 0.765 583 L CB -0.480 41.312 42.059 -0.444 0.000 0.904 583 L HN 0.410 nan 8.230 nan 0.000 0.437 584 R N -0.609 119.731 120.500 -0.267 0.000 2.096 584 R HA -0.184 4.159 4.340 0.006 0.000 0.240 584 R C 1.939 178.180 176.300 -0.099 0.000 1.139 584 R CA 1.614 57.615 56.100 -0.166 0.000 0.952 584 R CB -0.402 29.809 30.300 -0.148 0.000 0.854 584 R HN 0.439 nan 8.270 nan 0.000 0.436 585 N N 0.318 118.963 118.700 -0.091 0.000 2.216 585 N HA -0.057 4.686 4.740 0.006 0.000 0.183 585 N C 1.605 177.069 175.510 -0.077 0.000 1.017 585 N CA 1.256 54.288 53.050 -0.029 0.000 0.861 585 N CB -0.303 38.177 38.487 -0.012 0.000 0.986 585 N HN 0.209 nan 8.380 nan 0.000 0.428 586 A N 0.472 123.198 122.820 -0.156 0.000 1.877 586 A HA -0.117 4.206 4.320 0.006 0.000 0.216 586 A C 2.286 179.851 177.584 -0.032 0.000 1.186 586 A CA 2.033 54.010 52.037 -0.099 0.000 0.620 586 A CB -1.060 17.644 19.000 -0.494 0.000 0.822 586 A HN 0.297 nan 8.150 nan 0.000 0.443 587 T N 0.091 114.571 114.554 -0.122 0.000 2.951 587 T HA 0.136 4.490 4.350 0.006 0.000 0.268 587 T C 2.127 176.812 174.700 -0.024 0.000 1.073 587 T CA 1.062 63.154 62.100 -0.014 0.000 1.134 587 T CB -0.310 68.537 68.868 -0.035 0.000 0.884 587 T HN 0.577 nan 8.240 nan 0.000 0.479 588 A N 1.122 123.919 122.820 -0.039 0.000 1.978 588 A HA -0.019 4.305 4.320 0.006 0.000 0.220 588 A C 2.195 179.727 177.584 -0.086 0.000 1.170 588 A CA 1.149 53.177 52.037 -0.016 0.000 0.636 588 A CB -0.638 18.393 19.000 0.052 0.000 0.810 588 A HN 0.512 nan 8.150 nan 0.000 0.448 589 I N -0.314 120.147 120.570 -0.181 0.000 2.206 589 I HA -0.184 3.989 4.170 0.006 0.000 0.239 589 I C 2.941 178.767 176.117 -0.486 0.000 1.078 589 I CA 1.731 62.797 61.300 -0.390 0.000 1.367 589 I CB -0.601 37.111 38.000 -0.480 0.000 1.078 589 I HN 0.507 nan 8.210 nan 0.000 0.413 590 T N -2.024 112.288 114.554 -0.403 0.000 2.759 590 T HA -0.172 4.182 4.350 0.006 0.000 0.269 590 T C 1.768 176.433 174.700 -0.058 0.000 1.042 590 T CA 2.022 63.967 62.100 -0.259 0.000 1.140 590 T CB -0.960 67.936 68.868 0.047 0.000 0.864 590 T HN 0.242 nan 8.240 nan 0.000 0.455 591 T N 1.164 115.711 114.554 -0.012 0.000 2.812 591 T HA 0.092 4.445 4.350 0.006 0.000 0.264 591 T C 1.353 176.059 174.700 0.011 0.000 1.042 591 T CA 0.972 63.084 62.100 0.019 0.000 1.140 591 T CB -0.625 68.251 68.868 0.013 0.000 0.870 591 T HN 0.397 nan 8.240 nan 0.000 0.445 592 F N 2.289 122.153 119.950 -0.143 0.000 2.161 592 F HA -0.018 4.513 4.527 0.006 0.000 0.300 592 F C 2.333 178.061 175.800 -0.121 0.000 1.089 592 F CA 1.292 59.199 58.000 -0.155 0.000 1.282 592 F CB -0.749 38.127 39.000 -0.206 0.000 1.010 592 F HN 0.174 nan 8.300 nan 0.000 0.485 593 G N -0.561 108.315 108.800 0.126 0.000 2.402 593 G HA2 -0.215 3.748 3.960 0.006 0.000 0.216 593 G HA3 -0.215 3.748 3.960 0.006 0.000 0.216 593 G C 1.501 176.459 174.900 0.096 0.000 1.162 593 G CA 0.608 45.778 45.100 0.117 0.000 0.777 593 G HN 0.390 nan 8.290 nan 0.000 0.539 594 Q N -0.520 119.332 119.800 0.087 0.000 2.062 594 Q HA -0.225 4.119 4.340 0.006 0.000 0.209 594 Q C 2.472 178.473 176.000 0.001 0.000 0.996 594 Q CA 1.779 57.640 55.803 0.097 0.000 0.859 594 Q CB -0.341 28.448 28.738 0.085 0.000 0.920 594 Q HN 0.576 nan 8.270 nan 0.000 0.415 595 M N 0.086 119.648 119.600 -0.064 0.000 2.067 595 M HA -0.178 4.305 4.480 0.006 0.000 0.260 595 M C 2.209 178.489 176.300 -0.033 0.000 1.069 595 M CA 1.790 57.040 55.300 -0.082 0.000 1.117 595 M CB -0.238 32.236 32.600 -0.209 0.000 1.334 595 M HN 0.211 nan 8.290 nan 0.000 0.407 596 A N 1.046 123.779 122.820 -0.146 0.000 1.903 596 A HA -0.241 4.082 4.320 0.006 0.000 0.219 596 A C 2.186 179.959 177.584 0.314 0.000 1.191 596 A CA 2.045 54.117 52.037 0.059 0.000 0.638 596 A CB -1.323 17.670 19.000 -0.012 0.000 0.823 596 A HN 0.695 nan 8.150 nan 0.000 0.451 597 L N -0.964 120.385 121.223 0.210 0.000 1.988 597 L HA -0.198 4.146 4.340 0.006 0.000 0.207 597 L C 2.594 179.563 176.870 0.165 0.000 1.071 597 L CA 2.401 57.378 54.840 0.230 0.000 0.744 597 L CB -0.935 41.259 42.059 0.226 0.000 0.893 597 L HN 0.508 nan 8.230 nan 0.000 0.433 598 Q N -0.815 119.020 119.800 0.058 0.000 2.234 598 Q HA -0.273 4.071 4.340 0.006 0.000 0.206 598 Q C 1.881 177.922 176.000 0.068 0.000 0.980 598 Q CA 2.100 57.886 55.803 -0.028 0.000 0.869 598 Q CB -0.258 28.349 28.738 -0.218 0.000 0.912 598 Q HN 0.703 nan 8.270 nan 0.000 0.436 599 W N 0.151 121.416 121.300 -0.058 0.000 2.418 599 W HA -0.111 4.553 4.660 0.005 0.000 0.292 599 W C 1.325 177.751 176.519 -0.154 0.000 1.213 599 W CA 0.718 58.015 57.345 -0.080 0.000 1.283 599 W CB -0.085 29.347 29.460 -0.047 0.000 1.119 599 W HN 0.139 nan 8.180 nan 0.000 0.542 600 I N 1.308 121.946 120.570 0.114 0.000 3.251 600 I HA -0.117 4.056 4.170 0.006 0.000 0.277 600 I C 2.433 178.490 176.117 -0.100 0.000 1.268 600 I CA 1.116 62.343 61.300 -0.123 0.000 1.449 600 I CB -0.519 37.371 38.000 -0.183 0.000 1.083 600 I HN 0.012 nan 8.210 nan 0.000 0.464 601 E N 0.609 120.790 120.200 -0.030 0.000 2.046 601 E HA -0.267 4.087 4.350 0.006 0.000 0.190 601 E C 2.382 178.938 176.600 -0.073 0.000 0.982 601 E CA 0.818 57.206 56.400 -0.021 0.000 0.800 601 E CB -0.084 29.629 29.700 0.022 0.000 0.756 601 E HN 0.374 nan 8.360 nan 0.000 0.449 602 R N 0.255 120.680 120.500 -0.125 0.000 2.127 602 R HA -0.144 4.199 4.340 0.006 0.000 0.238 602 R C 2.071 178.237 176.300 -0.222 0.000 1.134 602 R CA 1.284 57.279 56.100 -0.176 0.000 0.975 602 R CB 0.128 30.277 30.300 -0.250 0.000 0.865 602 R HN -0.060 nan 8.270 nan 0.000 0.447 603 K N 0.160 120.387 120.400 -0.289 0.000 1.980 603 K HA -0.022 4.301 4.320 0.006 0.000 0.208 603 K C 2.071 178.563 176.600 -0.179 0.000 1.043 603 K CA 1.126 57.236 56.287 -0.295 0.000 0.938 603 K CB -0.858 31.421 32.500 -0.368 0.000 0.724 603 K HN 0.027 nan 8.250 nan 0.000 0.438 604 V N 2.873 122.684 119.914 -0.173 0.000 2.370 604 V HA -0.312 3.811 4.120 0.006 0.000 0.252 604 V C 2.044 178.100 176.094 -0.064 0.000 1.068 604 V CA 1.913 64.139 62.300 -0.125 0.000 1.061 604 V CB -0.612 31.126 31.823 -0.142 0.000 0.656 604 V HN 0.315 nan 8.190 nan 0.000 0.455 605 N N -0.099 118.579 118.700 -0.036 0.000 2.043 605 N HA -0.178 4.565 4.740 0.006 0.000 0.193 605 N C 1.815 177.303 175.510 -0.036 0.000 1.037 605 N CA 1.666 54.728 53.050 0.021 0.000 0.851 605 N CB -0.339 38.175 38.487 0.045 0.000 1.027 605 N HN 0.597 nan 8.380 nan 0.000 0.422 606 E N -0.354 119.806 120.200 -0.065 0.000 2.045 606 E HA -0.270 4.083 4.350 0.006 0.000 0.212 606 E C 1.853 178.408 176.600 -0.074 0.000 1.039 606 E CA 1.727 58.082 56.400 -0.076 0.000 0.860 606 E CB -0.338 29.299 29.700 -0.105 0.000 0.776 606 E HN 0.467 nan 8.360 nan 0.000 0.467 607 Y N 0.696 120.887 120.300 -0.182 0.000 2.207 607 Y HA -0.187 4.366 4.550 0.005 0.000 0.287 607 Y C 1.831 177.603 175.900 -0.213 0.000 1.156 607 Y CA 1.424 59.420 58.100 -0.173 0.000 1.182 607 Y CB -0.000 38.356 38.460 -0.172 0.000 0.979 607 Y HN 0.013 nan 8.280 nan 0.000 0.521 608 L N 0.055 121.101 121.223 -0.296 0.000 2.341 608 L HA -0.117 4.226 4.340 0.006 0.000 0.214 608 L C 1.971 178.414 176.870 -0.713 0.000 1.115 608 L CA 0.418 54.858 54.840 -0.667 0.000 0.820 608 L CB -0.433 40.964 42.059 -1.103 0.000 0.944 608 L HN 0.276 nan 8.230 nan 0.000 0.452 609 N N -0.151 118.321 118.700 -0.378 0.000 2.216 609 N HA -0.155 4.588 4.740 0.006 0.000 0.183 609 N C 1.673 177.102 175.510 -0.135 0.000 1.017 609 N CA 0.911 53.900 53.050 -0.101 0.000 0.861 609 N CB 0.140 38.634 38.487 0.011 0.000 0.986 609 N HN 0.361 nan 8.380 nan 0.000 0.428 610 E N 0.645 120.716 120.200 -0.216 0.000 2.031 610 E HA -0.098 4.256 4.350 0.006 0.000 0.193 610 E C 1.823 178.289 176.600 -0.223 0.000 0.994 610 E CA 0.864 57.141 56.400 -0.205 0.000 0.800 610 E CB -0.085 29.468 29.700 -0.246 0.000 0.752 610 E HN 0.034 nan 8.360 nan 0.000 0.447 611 V N 0.943 120.642 119.914 -0.358 0.000 2.599 611 V HA -0.147 3.977 4.120 0.006 0.000 0.245 611 V C 2.629 178.626 176.094 -0.162 0.000 1.046 611 V CA 1.406 63.531 62.300 -0.292 0.000 1.065 611 V CB -0.087 31.457 31.823 -0.464 0.000 0.703 611 V HN 0.567 nan 8.190 nan 0.000 0.464 612 C N 0.527 119.727 119.300 -0.168 0.000 2.419 612 C HA 0.230 4.694 4.460 0.006 0.000 0.281 612 C C 2.294 177.278 174.990 -0.009 0.000 1.336 612 C CA 0.727 59.717 59.018 -0.046 0.000 1.770 612 C CB -0.842 26.943 27.740 0.074 0.000 1.929 612 C HN 0.989 nan 8.230 nan 0.000 0.509 613 G N -0.379 108.399 108.800 -0.037 0.000 2.308 613 G HA2 -0.229 3.734 3.960 0.006 0.000 0.221 613 G HA3 -0.229 3.734 3.960 0.006 0.000 0.221 613 G C 0.533 175.434 174.900 0.002 0.000 1.032 613 G CA 0.627 45.714 45.100 -0.022 0.000 0.623 613 G HN 0.771 nan 8.290 nan 0.000 0.506 614 T N 0.162 114.742 114.554 0.044 0.000 2.887 614 T HA 0.477 4.830 4.350 0.006 0.000 0.371 614 T C -0.108 174.623 174.700 0.052 0.000 1.126 614 T CA 1.423 63.559 62.100 0.060 0.000 1.043 614 T CB 0.665 69.592 68.868 0.099 0.000 1.362 614 T HN 0.547 nan 8.240 nan 0.000 0.525 615 E N -1.443 118.791 120.200 0.058 0.000 2.343 615 E HA 0.479 4.833 4.350 0.006 0.000 0.288 615 E C -0.127 176.498 176.600 0.042 0.000 0.907 615 E CA 0.551 56.974 56.400 0.039 0.000 0.792 615 E CB 0.813 30.519 29.700 0.010 0.000 1.275 615 E HN 0.881 nan 8.360 nan 0.000 0.402 616 G N 3.259 112.089 108.800 0.051 0.000 2.198 616 G HA2 -0.287 3.677 3.960 0.006 0.000 0.257 616 G HA3 -0.287 3.677 3.960 0.006 0.000 0.257 616 G C -0.027 174.900 174.900 0.044 0.000 1.042 616 G CA 0.725 45.847 45.100 0.037 0.000 0.791 616 G HN 0.504 nan 8.290 nan 0.000 0.502 617 E N 0.095 120.346 120.200 0.086 0.000 2.202 617 E HA 0.753 5.106 4.350 0.006 0.000 0.272 617 E C 0.318 176.930 176.600 0.020 0.000 0.951 617 E CA -0.109 56.297 56.400 0.010 0.000 0.813 617 E CB 1.243 30.914 29.700 -0.048 0.000 1.151 617 E HN 1.022 nan 8.360 nan 0.000 0.398 618 A N 4.218 126.992 122.820 -0.077 0.000 2.347 618 A HA 0.395 4.718 4.320 0.006 0.000 0.287 618 A C -0.438 177.063 177.584 -0.138 0.000 1.199 618 A CA -0.282 51.738 52.037 -0.030 0.000 0.851 618 A CB -0.363 18.622 19.000 -0.025 0.000 1.118 618 A HN 0.755 nan 8.150 nan 0.000 0.525 619 F N 1.934 121.893 119.950 0.014 0.000 2.694 619 F HA 0.154 4.685 4.527 0.005 0.000 0.292 619 F C 0.537 176.347 175.800 0.016 0.000 1.121 619 F CA 0.330 58.348 58.000 0.029 0.000 1.352 619 F CB 0.811 39.837 39.000 0.043 0.000 1.107 619 F HN 0.298 nan 8.300 nan 0.000 0.597 620 V N 4.054 124.060 119.914 0.153 0.000 2.328 620 V HA 0.136 4.259 4.120 0.006 0.000 0.278 620 V C 0.863 176.944 176.094 -0.022 0.000 1.021 620 V CA -0.469 61.877 62.300 0.077 0.000 0.838 620 V CB 1.294 33.164 31.823 0.079 0.000 0.999 620 V HN 0.145 nan 8.190 nan 0.000 0.447 621 L N 3.315 124.449 121.223 -0.148 0.000 2.616 621 L HA 0.474 4.818 4.340 0.006 0.000 0.229 621 L C -0.038 176.620 176.870 -0.353 0.000 1.110 621 L CA 0.731 55.370 54.840 -0.336 0.000 0.884 621 L CB -0.690 40.938 42.059 -0.719 0.000 1.115 621 L HN 0.608 nan 8.230 nan 0.000 0.481 622 Y N -0.291 119.787 120.300 -0.370 0.000 2.741 622 Y HA 0.608 5.162 4.550 0.006 0.000 0.339 622 Y C -1.168 174.745 175.900 0.022 0.000 1.226 622 Y CA -0.258 57.663 58.100 -0.299 0.000 1.072 622 Y CB 1.320 39.356 38.460 -0.706 0.000 1.331 622 Y HN 0.096 nan 8.280 nan 0.000 0.453 623 G N 2.466 110.784 108.800 -0.803 0.000 2.473 623 G HA2 0.421 4.384 3.960 0.006 0.000 0.298 623 G HA3 0.421 4.384 3.960 0.006 0.000 0.298 623 G C -2.811 171.726 174.900 -0.606 0.000 1.575 623 G CA -0.677 44.168 45.100 -0.426 0.000 0.846 623 G HN 0.518 nan 8.290 nan 0.000 0.585 624 D N 0.616 120.867 120.400 -0.249 0.000 2.686 624 D HA 0.521 5.164 4.640 0.006 0.000 0.249 624 D C 1.292 177.619 176.300 0.044 0.000 1.260 624 D CA 1.046 54.976 54.000 -0.115 0.000 0.910 624 D CB 1.723 42.532 40.800 0.014 0.000 1.323 624 D HN 1.171 nan 8.370 nan 0.000 0.561 625 T N 2.654 117.252 114.554 0.073 0.000 11.848 625 T HA -0.383 3.970 4.350 0.006 0.000 0.419 625 T C 0.599 175.389 174.700 0.151 0.000 1.442 625 T CA 2.625 64.803 62.100 0.131 0.000 2.400 625 T CB -1.358 67.558 68.868 0.081 0.000 2.877 625 T HN 0.545 nan 8.240 nan 0.000 0.914 626 D N 0.736 121.208 120.400 0.119 0.000 2.540 626 D HA 0.477 5.120 4.640 0.006 0.000 0.229 626 D C 0.166 176.551 176.300 0.142 0.000 1.250 626 D CA 0.060 54.135 54.000 0.125 0.000 0.817 626 D CB 0.443 41.289 40.800 0.076 0.000 1.060 626 D HN 0.496 nan 8.370 nan 0.000 0.508 627 S N 0.226 116.017 115.700 0.153 0.000 2.503 627 S HA 0.760 5.234 4.470 0.006 0.000 0.301 627 S C -0.345 174.355 174.600 0.166 0.000 1.087 627 S CA -0.782 57.520 58.200 0.170 0.000 1.042 627 S CB 1.110 64.486 63.200 0.293 0.000 1.043 627 S HN 0.347 nan 8.310 nan 0.000 0.489 628 I N 0.279 120.924 120.570 0.125 0.000 2.730 628 I HA 0.666 4.839 4.170 0.006 0.000 0.298 628 I C -1.952 174.179 176.117 0.024 0.000 1.089 628 I CA -0.979 60.408 61.300 0.146 0.000 1.041 628 I CB 1.865 39.944 38.000 0.132 0.000 1.235 628 I HN 0.509 nan 8.210 nan 0.000 0.423 629 Y N 4.061 124.437 120.300 0.126 0.000 2.363 629 Y HA 0.594 5.148 4.550 0.006 0.000 0.325 629 Y C -0.638 175.286 175.900 0.040 0.000 0.984 629 Y CA -0.760 57.402 58.100 0.103 0.000 1.248 629 Y CB 2.139 40.629 38.460 0.050 0.000 1.116 629 Y HN 0.352 nan 8.280 nan 0.000 0.470 630 V N 2.743 122.791 119.914 0.224 0.000 2.370 630 V HA 0.253 4.377 4.120 0.006 0.000 0.283 630 V C 0.241 176.471 176.094 0.227 0.000 1.023 630 V CA -0.758 61.683 62.300 0.235 0.000 0.857 630 V CB 1.684 33.708 31.823 0.335 0.000 0.985 630 V HN 0.740 nan 8.190 nan 0.000 0.443 631 S N 3.719 119.524 115.700 0.174 0.000 2.481 631 S HA 0.314 4.787 4.470 0.006 0.000 0.282 631 S C 1.005 175.756 174.600 0.253 0.000 1.243 631 S CA 0.153 58.467 58.200 0.189 0.000 1.078 631 S CB 0.595 63.867 63.200 0.119 0.000 0.916 631 S HN 0.988 nan 8.310 nan 0.000 0.495 632 A N 4.204 127.175 122.820 0.252 0.000 2.423 632 A HA 0.229 4.552 4.320 0.006 0.000 0.246 632 A C 1.215 178.866 177.584 0.110 0.000 1.278 632 A CA -0.131 52.023 52.037 0.195 0.000 0.903 632 A CB -0.138 18.963 19.000 0.168 0.000 0.997 632 A HN 0.746 nan 8.150 nan 0.000 0.510 633 D N 0.660 121.156 120.400 0.159 0.000 2.123 633 D HA -0.141 4.502 4.640 0.006 0.000 0.196 633 D C 1.728 178.049 176.300 0.035 0.000 0.992 633 D CA 1.422 55.497 54.000 0.125 0.000 0.833 633 D CB -0.017 40.870 40.800 0.146 0.000 0.954 633 D HN 0.431 nan 8.370 nan 0.000 0.455 634 K N -0.201 120.238 120.400 0.065 0.000 2.228 634 K HA 0.125 4.449 4.320 0.006 0.000 0.202 634 K C 1.975 178.611 176.600 0.058 0.000 1.051 634 K CA 0.234 56.564 56.287 0.073 0.000 0.960 634 K CB 0.198 32.773 32.500 0.124 0.000 0.743 634 K HN 0.154 nan 8.250 nan 0.000 0.458 635 I N 0.885 121.476 120.570 0.035 0.000 2.439 635 I HA -0.231 3.942 4.170 0.006 0.000 0.251 635 I C 1.919 178.013 176.117 -0.039 0.000 1.139 635 I CA 0.890 62.136 61.300 -0.089 0.000 1.438 635 I CB -0.155 37.693 38.000 -0.252 0.000 1.085 635 I HN 0.156 nan 8.210 nan 0.000 0.427 636 I N 0.617 121.139 120.570 -0.080 0.000 2.277 636 I HA -0.220 3.954 4.170 0.006 0.000 0.243 636 I C 2.141 178.231 176.117 -0.044 0.000 1.094 636 I CA 1.344 62.583 61.300 -0.102 0.000 1.393 636 I CB -1.005 36.696 38.000 -0.497 0.000 1.078 636 I HN 0.232 nan 8.210 nan 0.000 0.417 637 D N 1.388 121.760 120.400 -0.047 0.000 2.157 637 D HA -0.245 4.398 4.640 0.006 0.000 0.191 637 D C 1.921 178.207 176.300 -0.025 0.000 1.004 637 D CA 1.371 55.357 54.000 -0.022 0.000 0.854 637 D CB -0.313 40.483 40.800 -0.007 0.000 0.936 637 D HN 0.053 nan 8.370 nan 0.000 0.446 638 K N 0.164 120.553 120.400 -0.018 0.000 2.304 638 K HA -0.118 4.206 4.320 0.006 0.000 0.204 638 K C 1.837 178.400 176.600 -0.062 0.000 1.044 638 K CA 0.433 56.705 56.287 -0.025 0.000 0.932 638 K CB -0.259 32.235 32.500 -0.011 0.000 0.735 638 K HN 0.170 nan 8.250 nan 0.000 0.468 639 V N -2.775 117.084 119.914 -0.092 0.000 2.784 639 V HA 0.427 4.551 4.120 0.006 0.000 0.231 639 V C 1.172 177.183 176.094 -0.139 0.000 1.128 639 V CA 0.656 62.839 62.300 -0.196 0.000 1.178 639 V CB -0.446 31.120 31.823 -0.427 0.000 0.943 639 V HN 0.384 nan 8.190 nan 0.000 0.500 640 G N 0.046 108.804 108.800 -0.069 0.000 2.409 640 G HA2 -0.136 3.827 3.960 0.006 0.000 0.421 640 G HA3 -0.136 3.827 3.960 0.006 0.000 0.421 640 G C -0.308 174.638 174.900 0.077 0.000 1.259 640 G CA -0.013 45.081 45.100 -0.010 0.000 1.011 640 G HN 0.213 nan 8.290 nan 0.000 0.497 641 E N 0.485 120.738 120.200 0.088 0.000 2.975 641 E HA 0.253 4.606 4.350 0.006 0.000 0.301 641 E C 1.291 177.923 176.600 0.054 0.000 1.554 641 E CA 0.715 57.197 56.400 0.137 0.000 1.716 641 E CB -0.350 29.417 29.700 0.111 0.000 1.365 641 E HN 0.452 nan 8.360 nan 0.000 0.469 642 S N 0.991 116.665 115.700 -0.044 0.000 2.380 642 S HA 0.110 4.584 4.470 0.006 0.000 0.168 642 S C 0.560 175.093 174.600 -0.112 0.000 1.296 642 S CA 0.025 58.163 58.200 -0.103 0.000 2.072 642 S CB 0.352 63.449 63.200 -0.173 0.000 0.456 642 S HN 0.240 nan 8.310 nan 0.000 0.388 643 K N 1.562 121.821 120.400 -0.235 0.000 2.480 643 K HA 0.212 4.536 4.320 0.006 0.000 0.241 643 K C -1.315 175.229 176.600 -0.094 0.000 1.261 643 K CA 0.295 56.504 56.287 -0.130 0.000 1.193 643 K CB -0.693 31.733 32.500 -0.123 0.000 1.598 643 K HN 0.345 nan 8.250 nan 0.000 0.278 644 F N 0.983 121.035 119.950 0.169 0.000 2.434 644 F HA 0.250 4.780 4.527 0.004 0.000 0.355 644 F C 1.207 177.150 175.800 0.237 0.000 1.115 644 F CA -1.053 57.132 58.000 0.309 0.000 1.010 644 F CB 1.354 40.454 39.000 0.165 0.000 1.234 644 F HN 0.199 nan 8.300 nan 0.000 0.439 645 R N 0.308 121.058 120.500 0.417 0.000 2.093 645 R HA 0.062 4.405 4.340 0.006 0.000 0.224 645 R C -0.614 175.782 176.300 0.161 0.000 1.101 645 R CA 0.779 56.991 56.100 0.187 0.000 0.979 645 R CB -0.255 30.083 30.300 0.062 0.000 0.877 645 R HN 0.571 nan 8.270 nan 0.000 0.441 646 D N -3.177 117.325 120.400 0.169 0.000 2.639 646 D HA 0.095 4.739 4.640 0.006 0.000 0.271 646 D C 0.046 176.298 176.300 -0.080 0.000 1.254 646 D CA -0.772 53.267 54.000 0.064 0.000 0.810 646 D CB 0.484 41.292 40.800 0.014 0.000 1.351 646 D HN -0.229 nan 8.370 nan 0.000 0.427 647 T N -0.247 114.176 114.554 -0.218 0.000 2.751 647 T HA -0.218 4.135 4.350 0.006 0.000 0.268 647 T C 1.355 175.367 174.700 -1.147 0.000 1.045 647 T CA 2.186 63.877 62.100 -0.682 0.000 1.142 647 T CB -0.471 67.955 68.868 -0.737 0.000 0.851 647 T HN 0.534 nan 8.240 nan 0.000 0.474 648 N N 0.006 118.351 118.700 -0.592 0.000 2.270 648 N HA -0.105 4.639 4.740 0.006 0.000 0.181 648 N C 1.670 176.993 175.510 -0.310 0.000 1.016 648 N CA 0.832 53.611 53.050 -0.452 0.000 0.870 648 N CB -0.216 38.160 38.487 -0.185 0.000 0.979 648 N HN 0.399 nan 8.380 nan 0.000 0.431 649 H N 0.637 119.538 119.070 -0.281 0.000 2.290 649 H HA -0.156 4.405 4.556 0.008 0.000 0.298 649 H C 1.719 177.048 175.328 0.003 0.000 1.087 649 H CA 2.299 58.331 56.048 -0.027 0.000 1.291 649 H CB -0.783 29.100 29.762 0.202 0.000 1.369 649 H HN 0.515 nan 8.280 nan 0.000 0.492 650 W N 0.046 121.083 121.300 -0.438 0.000 2.467 650 W HA 0.004 4.668 4.660 0.007 0.000 0.275 650 W C 1.633 178.031 176.519 -0.202 0.000 1.239 650 W CA 0.942 57.841 57.345 -0.744 0.000 1.266 650 W CB -1.122 27.438 29.460 -1.499 0.000 1.112 650 W HN 0.010 nan 8.180 nan 0.000 0.576 651 V N 2.001 121.651 119.914 -0.440 0.000 2.307 651 V HA -0.295 3.829 4.120 0.006 0.000 0.245 651 V C 2.290 178.365 176.094 -0.032 0.000 1.045 651 V CA 2.505 64.632 62.300 -0.289 0.000 1.024 651 V CB -1.038 30.430 31.823 -0.591 0.000 0.651 651 V HN -0.045 nan 8.190 nan 0.000 0.449 652 D N -0.556 119.846 120.400 0.004 0.000 2.133 652 D HA -0.201 4.443 4.640 0.006 0.000 0.195 652 D C 1.827 178.265 176.300 0.229 0.000 0.997 652 D CA 1.371 55.446 54.000 0.126 0.000 0.840 652 D CB -0.210 40.707 40.800 0.196 0.000 0.947 652 D HN 0.425 nan 8.370 nan 0.000 0.452 653 F N 1.097 121.118 119.950 0.119 0.000 2.039 653 F HA -0.069 4.461 4.527 0.005 0.000 0.294 653 F C 2.183 178.100 175.800 0.194 0.000 1.130 653 F CA 1.092 59.196 58.000 0.172 0.000 1.189 653 F CB -0.856 38.272 39.000 0.213 0.000 0.983 653 F HN -0.109 nan 8.300 nan 0.000 0.471 654 L N 0.438 121.621 121.223 -0.067 0.000 1.997 654 L HA -0.324 4.019 4.340 0.006 0.000 0.216 654 L C 2.346 179.219 176.870 0.006 0.000 1.074 654 L CA 2.147 56.927 54.840 -0.099 0.000 0.763 654 L CB -1.162 40.958 42.059 0.101 0.000 0.890 654 L HN 0.272 nan 8.230 nan 0.000 0.434 655 D N 0.006 120.431 120.400 0.041 0.000 2.157 655 D HA -0.274 4.369 4.640 0.006 0.000 0.191 655 D C 2.164 178.481 176.300 0.027 0.000 1.004 655 D CA 1.856 55.873 54.000 0.029 0.000 0.854 655 D CB 0.053 40.871 40.800 0.029 0.000 0.936 655 D HN 0.135 nan 8.370 nan 0.000 0.446 656 K N -1.332 119.093 120.400 0.041 0.000 2.025 656 K HA -0.100 4.223 4.320 0.006 0.000 0.207 656 K C 2.106 178.714 176.600 0.013 0.000 1.049 656 K CA 1.026 57.343 56.287 0.051 0.000 0.933 656 K CB -0.365 32.217 32.500 0.137 0.000 0.714 656 K HN 0.214 nan 8.250 nan 0.000 0.438 657 F N 1.218 121.031 119.950 -0.228 0.000 2.102 657 F HA -0.253 4.277 4.527 0.005 0.000 0.298 657 F C 2.056 177.828 175.800 -0.047 0.000 1.105 657 F CA 1.562 59.439 58.000 -0.205 0.000 1.239 657 F CB -0.251 38.509 39.000 -0.400 0.000 0.991 657 F HN 0.028 nan 8.300 nan 0.000 0.474 658 A N 0.525 123.371 122.820 0.043 0.000 1.865 658 A HA -0.268 4.056 4.320 0.006 0.000 0.217 658 A C 2.314 179.893 177.584 -0.008 0.000 1.191 658 A CA 1.996 54.082 52.037 0.081 0.000 0.623 658 A CB -0.950 18.145 19.000 0.158 0.000 0.826 658 A HN 0.489 nan 8.150 nan 0.000 0.444 659 R N -0.585 119.905 120.500 -0.016 0.000 2.148 659 R HA -0.062 4.282 4.340 0.006 0.000 0.223 659 R C 1.530 177.794 176.300 -0.060 0.000 1.088 659 R CA 1.468 57.556 56.100 -0.020 0.000 0.985 659 R CB -0.066 30.230 30.300 -0.006 0.000 0.880 659 R HN 0.626 nan 8.270 nan 0.000 0.451 660 E N -1.123 119.015 120.200 -0.104 0.000 2.431 660 E HA 0.062 4.415 4.350 0.006 0.000 0.200 660 E C 1.303 177.802 176.600 -0.168 0.000 0.995 660 E CA 0.076 56.416 56.400 -0.100 0.000 0.915 660 E CB 0.740 30.413 29.700 -0.046 0.000 0.930 660 E HN 0.219 nan 8.360 nan 0.000 0.496 661 R N -0.851 119.455 120.500 -0.324 0.000 2.716 661 R HA 0.293 4.637 4.340 0.006 0.000 0.186 661 R C 2.135 178.112 176.300 -0.538 0.000 0.830 661 R CA 0.039 55.896 56.100 -0.406 0.000 1.059 661 R CB 0.118 30.055 30.300 -0.604 0.000 1.531 661 R HN 0.053 nan 8.270 nan 0.000 0.633 662 M N 0.885 120.134 119.600 -0.586 0.000 2.160 662 M HA -0.015 4.468 4.480 0.006 0.000 0.264 662 M C 1.615 177.677 176.300 -0.398 0.000 1.073 662 M CA 1.718 56.688 55.300 -0.551 0.000 1.142 662 M CB -0.226 32.175 32.600 -0.331 0.000 1.358 662 M HN 0.120 nan 8.290 nan 0.000 0.422 663 E N 0.010 120.090 120.200 -0.201 0.000 2.106 663 E HA -0.134 4.219 4.350 0.006 0.000 0.192 663 E C -0.807 175.734 176.600 -0.099 0.000 0.984 663 E CA 0.848 57.195 56.400 -0.088 0.000 0.806 663 E CB -0.996 28.723 29.700 0.031 0.000 0.750 663 E HN 0.364 nan 8.360 nan 0.000 0.458 664 P HA -0.225 nan 4.420 nan 0.000 0.214 664 P C 1.234 178.436 177.300 -0.162 0.000 1.163 664 P CA 1.954 64.983 63.100 -0.117 0.000 0.889 664 P CB -0.055 31.569 31.700 -0.128 0.000 0.790 665 A N -0.376 122.256 122.820 -0.313 0.000 1.908 665 A HA -0.200 4.124 4.320 0.006 0.000 0.218 665 A C 2.212 179.636 177.584 -0.268 0.000 1.181 665 A CA 1.676 53.481 52.037 -0.386 0.000 0.627 665 A CB -1.575 16.918 19.000 -0.844 0.000 0.818 665 A HN 0.067 nan 8.150 nan 0.000 0.445 666 I N -0.003 120.418 120.570 -0.249 0.000 2.315 666 I HA -0.179 3.994 4.170 0.006 0.000 0.248 666 I C 1.864 177.987 176.117 0.009 0.000 1.117 666 I CA 1.462 62.660 61.300 -0.170 0.000 1.404 666 I CB -1.246 36.685 38.000 -0.115 0.000 1.071 666 I HN 0.376 nan 8.210 nan 0.000 0.419 667 D N 0.690 121.131 120.400 0.069 0.000 2.117 667 D HA -0.160 4.484 4.640 0.006 0.000 0.198 667 D C 2.295 178.640 176.300 0.076 0.000 0.982 667 D CA 1.074 55.188 54.000 0.189 0.000 0.828 667 D CB 0.121 41.029 40.800 0.180 0.000 0.967 667 D HN 0.266 nan 8.370 nan 0.000 0.464 668 R N 0.290 120.786 120.500 -0.006 0.000 2.080 668 R HA -0.103 4.240 4.340 0.006 0.000 0.236 668 R C 2.473 178.768 176.300 -0.009 0.000 1.137 668 R CA 1.447 57.532 56.100 -0.025 0.000 0.943 668 R CB -0.634 29.638 30.300 -0.048 0.000 0.846 668 R HN 0.129 nan 8.270 nan 0.000 0.431 669 G N -0.099 108.676 108.800 -0.042 0.000 2.469 669 G HA2 -0.267 3.697 3.960 0.006 0.000 0.219 669 G HA3 -0.267 3.697 3.960 0.006 0.000 0.219 669 G C 1.064 176.055 174.900 0.152 0.000 1.150 669 G CA 0.834 45.940 45.100 0.009 0.000 0.763 669 G HN 0.191 nan 8.290 nan 0.000 0.561 670 F N 0.837 120.861 119.950 0.123 0.000 2.234 670 F HA 0.200 4.730 4.527 0.005 0.000 0.296 670 F C 2.838 178.518 175.800 -0.200 0.000 1.089 670 F CA 0.544 58.550 58.000 0.011 0.000 1.343 670 F CB -0.336 38.743 39.000 0.133 0.000 1.040 670 F HN -0.002 nan 8.300 nan 0.000 0.498 671 R N 0.082 120.474 120.500 -0.180 0.000 2.139 671 R HA -0.218 4.125 4.340 0.006 0.000 0.243 671 R C 2.064 178.314 176.300 -0.084 0.000 1.145 671 R CA 1.679 57.595 56.100 -0.307 0.000 0.976 671 R CB -0.526 29.645 30.300 -0.215 0.000 0.866 671 R HN 0.392 nan 8.270 nan 0.000 0.449 672 E N 0.606 120.819 120.200 0.021 0.000 2.112 672 E HA -0.115 4.239 4.350 0.006 0.000 0.190 672 E C 1.975 178.611 176.600 0.061 0.000 0.979 672 E CA 0.504 56.959 56.400 0.093 0.000 0.814 672 E CB 0.087 29.905 29.700 0.197 0.000 0.762 672 E HN 0.224 nan 8.360 nan 0.000 0.460 673 M N 0.249 119.792 119.600 -0.094 0.000 2.296 673 M HA -0.132 4.351 4.480 0.006 0.000 0.265 673 M C 2.377 178.556 176.300 -0.202 0.000 1.064 673 M CA 0.943 55.915 55.300 -0.547 0.000 1.109 673 M CB -0.110 31.859 32.600 -1.052 0.000 1.396 673 M HN 0.327 nan 8.290 nan 0.000 0.430 674 C N 0.414 119.675 119.300 -0.064 0.000 2.475 674 C HA -0.081 4.383 4.460 0.006 0.000 0.279 674 C C 2.426 177.421 174.990 0.009 0.000 1.322 674 C CA 1.282 60.301 59.018 0.002 0.000 1.734 674 C CB -0.687 27.066 27.740 0.021 0.000 2.005 674 C HN 0.679 nan 8.230 nan 0.000 0.495 675 E N -0.271 119.939 120.200 0.017 0.000 2.051 675 E HA -0.239 4.114 4.350 0.006 0.000 0.192 675 E C 1.992 178.647 176.600 0.091 0.000 0.991 675 E CA 1.772 58.197 56.400 0.042 0.000 0.799 675 E CB -0.731 28.994 29.700 0.041 0.000 0.748 675 E HN 0.713 nan 8.360 nan 0.000 0.449 676 Y N 0.262 120.522 120.300 -0.066 0.000 2.128 676 Y HA -0.134 4.419 4.550 0.006 0.000 0.284 676 Y C 1.873 177.722 175.900 -0.085 0.000 1.154 676 Y CA 1.574 59.636 58.100 -0.063 0.000 1.149 676 Y CB -0.228 38.172 38.460 -0.100 0.000 0.976 676 Y HN 0.133 nan 8.280 nan 0.000 0.505 677 M N 0.184 119.724 119.600 -0.100 0.000 2.618 677 M HA -0.005 4.479 4.480 0.006 0.000 0.240 677 M C 0.635 176.882 176.300 -0.087 0.000 1.123 677 M CA 0.728 55.922 55.300 -0.176 0.000 1.060 677 M CB -1.628 30.921 32.600 -0.085 0.000 1.535 677 M HN 0.389 nan 8.290 nan 0.000 0.507 678 N N 2.389 121.066 118.700 -0.039 0.000 2.738 678 N HA -0.199 4.545 4.740 0.006 0.000 0.249 678 N C -0.833 174.671 175.510 -0.010 0.000 1.047 678 N CA 0.421 53.457 53.050 -0.024 0.000 0.707 678 N CB -1.447 37.012 38.487 -0.046 0.000 0.937 678 N HN 0.545 nan 8.380 nan 0.000 0.545 679 N N 0.107 118.804 118.700 -0.005 0.000 2.294 679 N HA 0.106 4.850 4.740 0.006 0.000 0.248 679 N C 1.270 176.774 175.510 -0.010 0.000 1.300 679 N CA -0.034 53.007 53.050 -0.016 0.000 0.925 679 N CB 0.525 38.992 38.487 -0.034 0.000 1.188 679 N HN 0.322 nan 8.380 nan 0.000 0.512 680 K N 0.032 120.415 120.400 -0.028 0.000 2.044 680 K HA -0.016 4.308 4.320 0.006 0.000 0.204 680 K C 0.141 176.737 176.600 -0.007 0.000 1.045 680 K CA 0.960 57.239 56.287 -0.012 0.000 0.951 680 K CB 0.275 32.760 32.500 -0.026 0.000 0.738 680 K HN 0.522 nan 8.250 nan 0.000 0.443 681 Q N 0.141 119.924 119.800 -0.029 0.000 2.331 681 Q HA 0.080 4.424 4.340 0.006 0.000 0.272 681 Q C -1.708 174.283 176.000 -0.015 0.000 1.062 681 Q CA -0.783 55.013 55.803 -0.012 0.000 0.806 681 Q CB 1.429 30.144 28.738 -0.038 0.000 1.312 681 Q HN 0.361 nan 8.270 nan 0.000 0.431 682 H N 5.592 124.622 119.070 -0.067 0.000 2.955 682 H HA 0.184 4.744 4.556 0.006 0.000 0.290 682 H C -0.395 174.747 175.328 -0.310 0.000 1.047 682 H CA 0.362 56.339 56.048 -0.118 0.000 1.484 682 H CB 0.555 30.316 29.762 -0.003 0.000 1.501 682 H HN 0.674 nan 8.280 nan 0.000 0.521 683 L N 5.766 126.467 121.223 -0.869 0.000 3.410 683 L HA 0.153 4.496 4.340 0.006 0.000 0.309 683 L C -0.196 175.850 176.870 -1.373 0.000 1.254 683 L CA -0.149 53.853 54.840 -1.397 0.000 1.048 683 L CB 0.572 42.193 42.059 -0.730 0.000 1.442 683 L HN 0.642 nan 8.230 nan 0.000 0.615 684 M N 1.512 120.513 119.600 -0.999 0.000 2.557 684 M HA 0.237 4.721 4.480 0.006 0.000 0.328 684 M C -0.946 175.113 176.300 -0.402 0.000 1.423 684 M CA 0.359 55.240 55.300 -0.698 0.000 1.418 684 M CB -0.556 31.501 32.600 -0.906 0.000 1.381 684 M HN -0.087 nan 8.290 nan 0.000 0.467 685 F N 3.331 123.164 119.950 -0.196 0.000 2.309 685 F HA 0.439 4.969 4.527 0.006 0.000 0.366 685 F C 0.389 176.206 175.800 0.029 0.000 1.104 685 F CA -0.965 57.004 58.000 -0.051 0.000 1.179 685 F CB 0.342 39.304 39.000 -0.063 0.000 1.437 685 F HN 0.459 nan 8.300 nan 0.000 0.528 686 M N 4.526 124.314 119.600 0.312 0.000 2.080 686 M HA 0.320 4.804 4.480 0.006 0.000 0.350 686 M C -0.919 175.545 176.300 0.274 0.000 1.173 686 M CA 0.088 55.557 55.300 0.283 0.000 1.052 686 M CB 0.487 33.302 32.600 0.359 0.000 1.577 686 M HN 0.459 nan 8.290 nan 0.000 0.455 687 D N 3.609 124.157 120.400 0.247 0.000 2.553 687 D HA 0.378 5.022 4.640 0.006 0.000 0.249 687 D C -0.888 175.551 176.300 0.232 0.000 1.062 687 D CA -0.721 53.415 54.000 0.227 0.000 1.085 687 D CB 1.580 42.447 40.800 0.113 0.000 1.350 687 D HN 0.560 nan 8.370 nan 0.000 0.575 688 R N 0.971 121.506 120.500 0.058 0.000 2.357 688 R HA 0.152 4.495 4.340 0.006 0.000 0.296 688 R C 0.175 176.358 176.300 -0.194 0.000 1.052 688 R CA 0.040 55.956 56.100 -0.307 0.000 0.988 688 R CB 1.278 31.309 30.300 -0.448 0.000 1.025 688 R HN 0.522 nan 8.270 nan 0.000 0.469 689 E N 2.160 122.219 120.200 -0.235 0.000 2.118 689 E HA 0.228 4.581 4.350 0.006 0.000 0.203 689 E C -0.269 176.265 176.600 -0.111 0.000 0.958 689 E CA 0.050 56.376 56.400 -0.123 0.000 0.957 689 E CB 0.243 29.907 29.700 -0.061 0.000 1.205 689 E HN 0.697 nan 8.360 nan 0.000 0.494 690 A N 0.886 123.646 122.820 -0.099 0.000 2.279 690 A HA 0.637 4.960 4.320 0.006 0.000 0.303 690 A C -0.570 177.035 177.584 0.034 0.000 1.108 690 A CA -0.292 51.754 52.037 0.015 0.000 0.830 690 A CB 0.534 19.598 19.000 0.107 0.000 1.106 690 A HN 0.322 nan 8.150 nan 0.000 0.493 691 I N 0.586 121.244 120.570 0.146 0.000 2.534 691 I HA 0.523 4.697 4.170 0.006 0.000 0.286 691 I C -0.075 176.301 176.117 0.432 0.000 1.094 691 I CA -0.152 61.299 61.300 0.251 0.000 1.055 691 I CB 1.817 39.948 38.000 0.218 0.000 1.225 691 I HN 0.764 nan 8.210 nan 0.000 0.435 692 A N 4.392 127.505 122.820 0.489 0.000 2.454 692 A HA 1.048 5.372 4.320 0.006 0.000 0.302 692 A C -0.373 177.583 177.584 0.621 0.000 1.079 692 A CA -0.491 51.871 52.037 0.543 0.000 0.731 692 A CB 2.118 21.322 19.000 0.340 0.000 1.299 692 A HN 0.911 nan 8.150 nan 0.000 0.413 693 G N 0.012 109.216 108.800 0.674 0.000 2.338 693 G HA2 0.558 4.521 3.960 0.006 0.000 0.295 693 G HA3 0.558 4.521 3.960 0.006 0.000 0.295 693 G C -3.631 171.563 174.900 0.491 0.000 1.461 693 G CA -0.704 44.589 45.100 0.322 0.000 0.817 693 G HN 0.546 nan 8.290 nan 0.000 0.556 694 P HA 0.318 nan 4.420 nan 0.000 0.272 694 P C -2.413 175.189 177.300 0.504 0.000 1.240 694 P CA -0.957 62.300 63.100 0.262 0.000 0.791 694 P CB 0.072 31.799 31.700 0.044 0.000 0.978 695 P HA 0.063 nan 4.420 nan 0.000 0.270 695 P C -0.145 177.322 177.300 0.279 0.000 1.223 695 P CA 0.024 63.359 63.100 0.391 0.000 0.785 695 P CB 0.337 32.262 31.700 0.375 0.000 0.923 696 L N 1.759 123.130 121.223 0.247 0.000 2.455 696 L HA 0.147 4.491 4.340 0.006 0.000 0.272 696 L C 1.450 178.417 176.870 0.161 0.000 1.174 696 L CA 1.036 56.020 54.840 0.241 0.000 0.869 696 L CB -0.626 41.583 42.059 0.250 0.000 1.130 696 L HN 0.821 nan 8.230 nan 0.000 0.474 697 G N 2.602 111.483 108.800 0.135 0.000 2.153 697 G HA2 -0.262 3.701 3.960 0.006 0.000 0.252 697 G HA3 -0.262 3.701 3.960 0.006 0.000 0.252 697 G C 0.296 175.252 174.900 0.093 0.000 0.994 697 G CA 0.407 45.569 45.100 0.103 0.000 0.698 697 G HN 0.608 nan 8.290 nan 0.000 0.521 698 S N -0.508 115.253 115.700 0.103 0.000 2.652 698 S HA 0.505 4.978 4.470 0.006 0.000 0.270 698 S C 1.186 175.828 174.600 0.070 0.000 1.243 698 S CA -0.518 57.739 58.200 0.095 0.000 0.999 698 S CB 1.488 64.762 63.200 0.122 0.000 0.973 698 S HN 0.247 nan 8.310 nan 0.000 0.544 699 K N 0.771 121.210 120.400 0.064 0.000 2.487 699 K HA 0.072 4.396 4.320 0.006 0.000 0.192 699 K C 1.009 177.638 176.600 0.049 0.000 1.027 699 K CA -0.028 56.289 56.287 0.050 0.000 1.054 699 K CB -0.307 32.222 32.500 0.048 0.000 0.824 699 K HN 0.708 nan 8.250 nan 0.000 0.510 700 G N 1.798 110.636 108.800 0.064 0.000 2.398 700 G HA2 0.135 4.099 3.960 0.006 0.000 0.246 700 G HA3 0.135 4.099 3.960 0.006 0.000 0.246 700 G C 0.930 175.856 174.900 0.042 0.000 1.289 700 G CA -0.446 44.694 45.100 0.066 0.000 0.869 700 G HN 0.294 nan 8.290 nan 0.000 0.543 701 I N 0.288 120.887 120.570 0.048 0.000 3.578 701 I HA 0.320 4.493 4.170 0.006 0.000 0.295 701 I C 1.696 177.835 176.117 0.037 0.000 1.280 701 I CA 0.469 61.789 61.300 0.033 0.000 1.347 701 I CB 0.163 38.197 38.000 0.056 0.000 1.051 701 I HN 0.749 nan 8.210 nan 0.000 0.460 702 G N 1.129 109.966 108.800 0.061 0.000 2.458 702 G HA2 -0.182 3.782 3.960 0.006 0.000 0.237 702 G HA3 -0.182 3.782 3.960 0.006 0.000 0.237 702 G C 0.514 175.484 174.900 0.117 0.000 1.113 702 G CA -0.042 45.102 45.100 0.074 0.000 0.655 702 G HN 1.254 nan 8.290 nan 0.000 0.513 703 G N -1.174 107.720 108.800 0.157 0.000 2.466 703 G HA2 0.823 4.787 3.960 0.006 0.000 0.291 703 G HA3 0.823 4.787 3.960 0.006 0.000 0.291 703 G C -0.941 174.155 174.900 0.327 0.000 1.460 703 G CA -0.001 45.201 45.100 0.170 0.000 0.791 703 G HN 1.799 nan 8.290 nan 0.000 0.505 704 F N -2.463 117.590 119.950 0.171 0.000 2.770 704 F HA 0.813 5.343 4.527 0.006 0.000 0.313 704 F C -2.148 173.786 175.800 0.222 0.000 1.154 704 F CA -1.884 56.282 58.000 0.276 0.000 0.923 704 F CB 1.349 40.410 39.000 0.102 0.000 1.301 704 F HN 0.588 nan 8.300 nan 0.000 0.449 705 W N 2.244 123.783 121.300 0.398 0.000 2.739 705 W HA 0.334 4.997 4.660 0.005 0.000 0.331 705 W C 0.207 176.899 176.519 0.288 0.000 1.049 705 W CA -0.144 57.319 57.345 0.197 0.000 1.234 705 W CB 2.863 32.352 29.460 0.048 0.000 1.404 705 W HN 0.916 nan 8.180 nan 0.000 0.477 706 T N -0.131 114.652 114.554 0.382 0.000 3.033 706 T HA 0.393 4.747 4.350 0.006 0.000 0.248 706 T C 0.675 175.510 174.700 0.226 0.000 1.040 706 T CA 1.010 63.288 62.100 0.295 0.000 1.133 706 T CB 1.054 70.086 68.868 0.273 0.000 0.895 706 T HN 0.491 nan 8.240 nan 0.000 0.465 707 G N 0.218 109.146 108.800 0.213 0.000 2.490 707 G HA2 0.445 4.408 3.960 0.006 0.000 0.308 707 G HA3 0.445 4.408 3.960 0.006 0.000 0.308 707 G C -1.766 173.242 174.900 0.181 0.000 1.286 707 G CA -1.192 44.018 45.100 0.183 0.000 0.825 707 G HN 0.230 nan 8.290 nan 0.000 0.479 708 K N 1.349 121.854 120.400 0.175 0.000 2.491 708 K HA 0.125 4.448 4.320 0.006 0.000 0.279 708 K C 0.014 176.713 176.600 0.165 0.000 1.026 708 K CA 0.886 57.309 56.287 0.227 0.000 1.070 708 K CB 0.140 32.755 32.500 0.191 0.000 0.887 708 K HN 0.598 nan 8.250 nan 0.000 0.481 709 K N 1.737 122.259 120.400 0.202 0.000 3.251 709 K HA -0.218 4.106 4.320 0.006 0.000 0.282 709 K C -0.634 175.934 176.600 -0.053 0.000 1.201 709 K CA 0.823 57.188 56.287 0.131 0.000 0.827 709 K CB -1.041 31.526 32.500 0.111 0.000 1.286 709 K HN 0.646 nan 8.250 nan 0.000 0.503 710 R N 0.354 120.784 120.500 -0.117 0.000 2.985 710 R HA 0.216 4.560 4.340 0.006 0.000 0.259 710 R C -1.232 174.828 176.300 -0.401 0.000 1.815 710 R CA -0.635 55.330 56.100 -0.224 0.000 1.278 710 R CB 0.720 30.999 30.300 -0.034 0.000 1.403 710 R HN 0.272 nan 8.270 nan 0.000 0.534 711 Y N -1.061 118.730 120.300 -0.848 0.000 2.597 711 Y HA 0.882 5.435 4.550 0.005 0.000 0.340 711 Y C -1.321 173.924 175.900 -1.091 0.000 1.097 711 Y CA -1.357 55.972 58.100 -1.285 0.000 1.037 711 Y CB 1.453 38.438 38.460 -2.458 0.000 1.305 711 Y HN 0.318 nan 8.280 nan 0.000 0.463 712 A N 2.729 124.846 122.820 -1.170 0.000 2.384 712 A HA 0.958 5.281 4.320 0.006 0.000 0.312 712 A C -1.672 175.580 177.584 -0.553 0.000 1.113 712 A CA -1.027 50.488 52.037 -0.870 0.000 0.779 712 A CB 1.485 19.900 19.000 -0.975 0.000 1.307 712 A HN 0.828 nan 8.150 nan 0.000 0.436 713 L N 0.651 121.699 121.223 -0.291 0.000 2.545 713 L HA 0.341 4.685 4.340 0.006 0.000 0.258 713 L C -0.952 175.872 176.870 -0.076 0.000 0.942 713 L CA -0.764 54.022 54.840 -0.090 0.000 0.855 713 L CB 2.474 44.565 42.059 0.053 0.000 1.374 713 L HN 0.815 nan 8.230 nan 0.000 0.411 714 N N 1.572 120.259 118.700 -0.023 0.000 2.462 714 N HA 0.471 5.214 4.740 0.006 0.000 0.242 714 N C -1.376 174.056 175.510 -0.130 0.000 1.010 714 N CA -0.204 52.784 53.050 -0.103 0.000 0.939 714 N CB 1.212 39.672 38.487 -0.044 0.000 1.127 714 N HN 0.294 nan 8.380 nan 0.000 0.509 715 V N 4.441 124.218 119.914 -0.229 0.000 2.417 715 V HA 0.302 4.425 4.120 0.006 0.000 0.291 715 V C -0.106 175.895 176.094 -0.156 0.000 1.024 715 V CA -0.538 61.730 62.300 -0.054 0.000 0.861 715 V CB 1.225 33.100 31.823 0.086 0.000 0.985 715 V HN 0.804 nan 8.190 nan 0.000 0.436 716 W N 1.075 122.488 121.300 0.189 0.000 2.907 716 W HA 0.356 5.019 4.660 0.005 0.000 0.271 716 W C 0.611 177.146 176.519 0.026 0.000 1.253 716 W CA -0.152 57.272 57.345 0.132 0.000 1.501 716 W CB 0.644 30.088 29.460 -0.027 0.000 1.047 716 W HN 0.458 nan 8.180 nan 0.000 0.610 717 D N 0.248 120.749 120.400 0.168 0.000 2.977 717 D HA 0.252 4.896 4.640 0.006 0.000 0.220 717 D C -1.547 174.708 176.300 -0.074 0.000 1.267 717 D CA -0.410 53.544 54.000 -0.076 0.000 0.884 717 D CB 1.667 42.449 40.800 -0.031 0.000 1.667 717 D HN -0.191 nan 8.370 nan 0.000 0.536 718 M N 3.286 122.757 119.600 -0.214 0.000 2.067 718 M HA 0.280 4.764 4.480 0.006 0.000 0.286 718 M C -0.282 175.950 176.300 -0.114 0.000 0.922 718 M CA 0.072 55.315 55.300 -0.095 0.000 0.937 718 M CB 0.812 33.422 32.600 0.015 0.000 1.550 718 M HN 0.529 nan 8.290 nan 0.000 0.433 719 E N 3.198 123.352 120.200 -0.077 0.000 2.791 719 E HA -0.226 4.128 4.350 0.006 0.000 0.271 719 E C 0.759 177.313 176.600 -0.077 0.000 1.044 719 E CA 1.185 57.547 56.400 -0.063 0.000 0.814 719 E CB -1.351 28.326 29.700 -0.039 0.000 1.400 719 E HN 1.344 nan 8.360 nan 0.000 0.423 720 G N -1.464 107.279 108.800 -0.094 0.000 2.213 720 G HA2 -0.269 3.695 3.960 0.006 0.000 0.226 720 G HA3 -0.269 3.695 3.960 0.006 0.000 0.226 720 G C 0.314 175.142 174.900 -0.120 0.000 0.992 720 G CA 0.135 45.183 45.100 -0.087 0.000 0.632 720 G HN 0.269 nan 8.290 nan 0.000 0.511 721 T N 1.243 115.685 114.554 -0.187 0.000 2.749 721 T HA 0.537 4.891 4.350 0.006 0.000 0.295 721 T C 0.267 174.736 174.700 -0.385 0.000 0.936 721 T CA -0.052 61.889 62.100 -0.265 0.000 1.060 721 T CB 1.341 70.022 68.868 -0.312 0.000 0.904 721 T HN 0.435 nan 8.240 nan 0.000 0.500 722 R N 3.331 123.685 120.500 -0.243 0.000 2.198 722 R HA 0.305 4.649 4.340 0.006 0.000 0.339 722 R C -1.223 175.016 176.300 -0.102 0.000 1.020 722 R CA -0.540 55.456 56.100 -0.173 0.000 0.864 722 R CB -0.232 30.036 30.300 -0.053 0.000 1.105 722 R HN 0.475 nan 8.270 nan 0.000 0.463 723 Y N 2.692 123.029 120.300 0.060 0.000 2.425 723 Y HA 0.140 4.693 4.550 0.005 0.000 0.331 723 Y C 1.566 177.511 175.900 0.076 0.000 1.157 723 Y CA 0.275 58.398 58.100 0.039 0.000 1.372 723 Y CB 0.830 39.282 38.460 -0.014 0.000 1.253 723 Y HN 0.793 nan 8.280 nan 0.000 0.536 724 A N 2.320 125.288 122.820 0.247 0.000 1.908 724 A HA -0.093 4.231 4.320 0.006 0.000 0.218 724 A C 0.611 178.314 177.584 0.199 0.000 1.181 724 A CA 1.417 53.575 52.037 0.201 0.000 0.627 724 A CB -0.132 18.978 19.000 0.184 0.000 0.818 724 A HN 0.707 nan 8.150 nan 0.000 0.445 725 E N -0.712 119.569 120.200 0.135 0.000 2.293 725 E HA 0.378 4.731 4.350 0.006 0.000 0.270 725 E C -2.954 173.582 176.600 -0.107 0.000 0.879 725 E CA -2.299 54.126 56.400 0.041 0.000 0.756 725 E CB 1.845 31.545 29.700 0.000 0.000 1.208 725 E HN 0.138 nan 8.360 nan 0.000 0.428 726 P HA 0.116 nan 4.420 nan 0.000 0.271 726 P C -0.716 176.305 177.300 -0.466 0.000 1.216 726 P CA -0.102 62.619 63.100 -0.632 0.000 0.776 726 P CB 0.955 31.873 31.700 -1.303 0.000 0.881 727 K N 2.914 123.017 120.400 -0.495 0.000 2.274 727 K HA 0.376 4.699 4.320 0.006 0.000 0.262 727 K C -0.206 176.194 176.600 -0.332 0.000 0.961 727 K CA -0.786 55.213 56.287 -0.480 0.000 0.833 727 K CB 0.684 32.676 32.500 -0.846 0.000 1.102 727 K HN 0.428 nan 8.250 nan 0.000 0.436 728 L N 3.838 124.901 121.223 -0.266 0.000 2.462 728 L HA 0.078 4.421 4.340 0.006 0.000 0.272 728 L C 0.104 176.860 176.870 -0.190 0.000 1.166 728 L CA 0.166 54.879 54.840 -0.212 0.000 0.880 728 L CB 0.265 42.209 42.059 -0.192 0.000 1.142 728 L HN 0.450 nan 8.230 nan 0.000 0.473 729 K N 5.191 125.493 120.400 -0.163 0.000 2.473 729 K HA 0.494 4.818 4.320 0.006 0.000 0.246 729 K C -1.025 175.431 176.600 -0.240 0.000 1.011 729 K CA -0.124 56.082 56.287 -0.135 0.000 0.984 729 K CB 0.368 32.856 32.500 -0.020 0.000 1.250 729 K HN 0.406 nan 8.250 nan 0.000 0.454 730 I N 4.803 125.198 120.570 -0.291 0.000 2.339 730 I HA 0.384 4.558 4.170 0.006 0.000 0.290 730 I C -0.530 175.313 176.117 -0.457 0.000 0.994 730 I CA -0.786 60.257 61.300 -0.428 0.000 1.191 730 I CB 1.458 39.245 38.000 -0.355 0.000 1.343 730 I HN 0.318 nan 8.210 nan 0.000 0.458 731 M N 4.969 124.127 119.600 -0.736 0.000 2.181 731 M HA 0.453 4.937 4.480 0.006 0.000 0.323 731 M C 0.782 176.729 176.300 -0.588 0.000 1.004 731 M CA -0.590 54.306 55.300 -0.673 0.000 0.941 731 M CB 0.652 32.680 32.600 -0.953 0.000 1.579 731 M HN 0.923 nan 8.290 nan 0.000 0.427 732 G N 2.534 111.143 108.800 -0.318 0.000 2.308 732 G HA2 -0.178 3.786 3.960 0.006 0.000 0.221 732 G HA3 -0.178 3.786 3.960 0.006 0.000 0.221 732 G C 0.121 174.944 174.900 -0.127 0.000 1.032 732 G CA -0.358 44.622 45.100 -0.200 0.000 0.623 732 G HN 0.550 nan 8.290 nan 0.000 0.506 733 L N 0.280 121.404 121.223 -0.165 0.000 2.470 733 L HA 0.476 4.820 4.340 0.006 0.000 0.243 733 L C 1.916 178.806 176.870 0.034 0.000 1.227 733 L CA -0.184 54.640 54.840 -0.027 0.000 0.824 733 L CB 0.104 42.068 42.059 -0.159 0.000 1.175 733 L HN 0.064 nan 8.230 nan 0.000 0.503 734 E N -0.227 120.073 120.200 0.167 0.000 2.274 734 E HA -0.138 4.216 4.350 0.006 0.000 0.194 734 E C 1.885 178.528 176.600 0.072 0.000 0.996 734 E CA 1.293 57.754 56.400 0.101 0.000 0.840 734 E CB -0.192 29.563 29.700 0.091 0.000 0.772 734 E HN 0.831 nan 8.360 nan 0.000 0.491 735 T N -1.095 113.501 114.554 0.070 0.000 2.881 735 T HA -0.156 4.198 4.350 0.006 0.000 0.270 735 T C 1.441 176.146 174.700 0.007 0.000 1.068 735 T CA 0.808 62.928 62.100 0.034 0.000 1.131 735 T CB -0.039 68.823 68.868 -0.010 0.000 0.871 735 T HN -0.012 nan 8.240 nan 0.000 0.479 736 Q N 0.547 120.336 119.800 -0.019 0.000 2.360 736 Q HA 0.316 4.659 4.340 0.006 0.000 0.202 736 Q C 0.234 176.230 176.000 -0.008 0.000 0.915 736 Q CA 0.345 56.133 55.803 -0.025 0.000 0.943 736 Q CB 0.359 29.055 28.738 -0.071 0.000 1.064 736 Q HN 0.589 nan 8.270 nan 0.000 0.511 737 K N 0.702 121.103 120.400 0.000 0.000 2.159 737 K HA 0.216 4.539 4.320 0.006 0.000 0.266 737 K C 0.901 177.498 176.600 -0.004 0.000 0.975 737 K CA -0.065 56.218 56.287 -0.006 0.000 0.865 737 K CB 1.501 33.996 32.500 -0.008 0.000 1.087 737 K HN -0.030 nan 8.250 nan 0.000 0.446 738 S N -0.016 115.671 115.700 -0.023 0.000 2.489 738 S HA -0.113 4.361 4.470 0.006 0.000 0.228 738 S C 1.557 176.127 174.600 -0.050 0.000 0.995 738 S CA 1.046 59.222 58.200 -0.041 0.000 0.934 738 S CB -0.136 63.019 63.200 -0.075 0.000 0.771 738 S HN 0.596 nan 8.310 nan 0.000 0.522 739 S N 1.312 116.985 115.700 -0.045 0.000 2.522 739 S HA 0.047 4.520 4.470 0.006 0.000 0.227 739 S C 0.973 175.566 174.600 -0.013 0.000 0.986 739 S CA 0.413 58.583 58.200 -0.050 0.000 0.929 739 S CB -0.851 62.310 63.200 -0.065 0.000 0.769 739 S HN 0.742 nan 8.310 nan 0.000 0.529 740 T N 0.831 115.391 114.554 0.009 0.000 2.859 740 T HA 0.580 4.933 4.350 0.006 0.000 0.281 740 T C -3.325 171.412 174.700 0.062 0.000 1.005 740 T CA -2.565 59.557 62.100 0.037 0.000 1.025 740 T CB 1.270 70.162 68.868 0.039 0.000 0.977 740 T HN -0.125 nan 8.240 nan 0.000 0.458 741 P HA 0.145 nan 4.420 nan 0.000 0.266 741 P C 0.916 178.279 177.300 0.105 0.000 1.195 741 P CA -0.422 62.735 63.100 0.095 0.000 0.768 741 P CB 0.556 32.326 31.700 0.117 0.000 0.838 742 K N 2.560 123.021 120.400 0.101 0.000 2.074 742 K HA -0.192 4.131 4.320 0.006 0.000 0.209 742 K C 1.813 178.486 176.600 0.122 0.000 1.048 742 K CA 2.099 58.452 56.287 0.110 0.000 0.926 742 K CB -0.784 31.781 32.500 0.108 0.000 0.713 742 K HN 0.505 nan 8.250 nan 0.000 0.444 743 A N 0.808 123.712 122.820 0.139 0.000 1.930 743 A HA -0.089 4.234 4.320 0.006 0.000 0.217 743 A C 2.403 180.118 177.584 0.217 0.000 1.175 743 A CA 1.316 53.468 52.037 0.191 0.000 0.627 743 A CB -0.365 18.766 19.000 0.218 0.000 0.815 743 A HN 0.084 nan 8.150 nan 0.000 0.443 744 V N -0.218 119.804 119.914 0.181 0.000 2.407 744 V HA -0.258 3.866 4.120 0.006 0.000 0.245 744 V C 2.511 178.681 176.094 0.127 0.000 1.041 744 V CA 1.839 64.218 62.300 0.132 0.000 1.040 744 V CB -0.992 30.929 31.823 0.164 0.000 0.671 744 V HN 0.600 nan 8.190 nan 0.000 0.455 745 Q N 0.226 120.097 119.800 0.118 0.000 2.096 745 Q HA -0.329 4.014 4.340 0.006 0.000 0.208 745 Q C 2.356 178.415 176.000 0.098 0.000 0.993 745 Q CA 2.221 58.084 55.803 0.100 0.000 0.862 745 Q CB -0.295 28.495 28.738 0.087 0.000 0.915 745 Q HN 0.565 nan 8.270 nan 0.000 0.416 746 K N 0.064 120.530 120.400 0.110 0.000 2.026 746 K HA -0.156 4.167 4.320 0.006 0.000 0.208 746 K C 2.071 178.752 176.600 0.136 0.000 1.048 746 K CA 1.178 57.532 56.287 0.113 0.000 0.929 746 K CB -0.134 32.448 32.500 0.136 0.000 0.713 746 K HN 0.196 nan 8.250 nan 0.000 0.439 747 A N 1.121 124.022 122.820 0.135 0.000 1.873 747 A HA -0.122 4.201 4.320 0.006 0.000 0.215 747 A C 2.120 179.837 177.584 0.222 0.000 1.186 747 A CA 1.182 53.283 52.037 0.107 0.000 0.616 747 A CB -0.698 17.936 19.000 -0.609 0.000 0.823 747 A HN 0.293 nan 8.150 nan 0.000 0.442 748 L N -0.647 120.706 121.223 0.216 0.000 2.042 748 L HA -0.259 4.084 4.340 0.006 0.000 0.210 748 L C 2.681 179.646 176.870 0.159 0.000 1.076 748 L CA 2.144 57.114 54.840 0.217 0.000 0.749 748 L CB -0.387 41.796 42.059 0.206 0.000 0.893 748 L HN 0.515 nan 8.230 nan 0.000 0.432 749 K N 0.250 120.705 120.400 0.093 0.000 2.032 749 K HA -0.275 4.048 4.320 0.006 0.000 0.209 749 K C 2.046 178.641 176.600 -0.008 0.000 1.048 749 K CA 1.810 58.107 56.287 0.016 0.000 0.927 749 K CB -0.033 32.467 32.500 0.000 0.000 0.712 749 K HN 0.063 nan 8.250 nan 0.000 0.441 750 E N 0.347 120.544 120.200 -0.006 0.000 2.110 750 E HA -0.156 4.198 4.350 0.006 0.000 0.193 750 E C 1.755 178.271 176.600 -0.140 0.000 0.988 750 E CA 1.575 57.885 56.400 -0.149 0.000 0.804 750 E CB -0.522 28.999 29.700 -0.299 0.000 0.745 750 E HN 0.422 nan 8.360 nan 0.000 0.458 751 C N 0.150 119.490 119.300 0.067 0.000 2.413 751 C HA -0.110 4.353 4.460 0.006 0.000 0.276 751 C C 2.584 177.629 174.990 0.092 0.000 1.236 751 C CA 0.865 59.979 59.018 0.160 0.000 1.735 751 C CB -1.049 26.839 27.740 0.246 0.000 2.031 751 C HN 0.490 nan 8.230 nan 0.000 0.474 752 I N 0.215 120.826 120.570 0.068 0.000 2.179 752 I HA -0.221 3.952 4.170 0.006 0.000 0.242 752 I C 2.873 178.998 176.117 0.013 0.000 1.088 752 I CA 1.485 62.813 61.300 0.047 0.000 1.357 752 I CB -0.752 37.221 38.000 -0.044 0.000 1.051 752 I HN 0.347 nan 8.210 nan 0.000 0.409 753 R N 1.223 121.701 120.500 -0.037 0.000 2.117 753 R HA -0.191 4.153 4.340 0.006 0.000 0.243 753 R C 2.418 178.701 176.300 -0.028 0.000 1.143 753 R CA 1.587 57.653 56.100 -0.057 0.000 0.968 753 R CB -0.077 30.168 30.300 -0.093 0.000 0.863 753 R HN 0.346 nan 8.270 nan 0.000 0.444 754 R N -0.428 120.060 120.500 -0.020 0.000 2.062 754 R HA 0.012 4.355 4.340 0.006 0.000 0.226 754 R C 2.450 178.779 176.300 0.049 0.000 1.125 754 R CA 1.602 57.708 56.100 0.010 0.000 0.966 754 R CB -0.186 30.121 30.300 0.012 0.000 0.861 754 R HN 0.233 nan 8.270 nan 0.000 0.433 755 M N 0.485 120.125 119.600 0.066 0.000 2.149 755 M HA -0.196 4.288 4.480 0.006 0.000 0.261 755 M C 2.058 178.407 176.300 0.083 0.000 1.064 755 M CA 1.692 57.038 55.300 0.075 0.000 1.102 755 M CB -0.239 32.414 32.600 0.088 0.000 1.369 755 M HN 0.175 nan 8.290 nan 0.000 0.408 756 L N -1.103 120.169 121.223 0.082 0.000 2.209 756 L HA -0.104 4.240 4.340 0.006 0.000 0.207 756 L C 2.222 179.140 176.870 0.080 0.000 1.094 756 L CA 0.961 55.851 54.840 0.083 0.000 0.790 756 L CB -0.391 41.698 42.059 0.050 0.000 0.932 756 L HN 0.403 nan 8.230 nan 0.000 0.447 757 Q N -0.219 119.621 119.800 0.066 0.000 2.423 757 Q HA 0.081 4.424 4.340 0.006 0.000 0.231 757 Q C -0.016 176.037 176.000 0.088 0.000 0.894 757 Q CA 0.401 56.257 55.803 0.088 0.000 0.938 757 Q CB 0.834 29.603 28.738 0.052 0.000 1.079 757 Q HN 0.441 nan 8.270 nan 0.000 0.552 758 E N 0.754 120.994 120.200 0.067 0.000 3.666 758 E HA 0.268 4.622 4.350 0.006 0.000 0.230 758 E C 0.062 176.699 176.600 0.062 0.000 1.235 758 E CA -0.346 56.093 56.400 0.065 0.000 1.096 758 E CB 1.082 30.815 29.700 0.055 0.000 1.287 758 E HN 0.275 nan 8.360 nan 0.000 0.406 759 G N 2.299 111.134 108.800 0.059 0.000 2.555 759 G HA2 -0.414 3.550 3.960 0.006 0.000 1.020 759 G HA3 -0.414 3.550 3.960 0.006 0.000 1.020 759 G C 0.960 175.893 174.900 0.055 0.000 1.309 759 G CA 1.089 46.220 45.100 0.052 0.000 0.835 759 G HN 0.602 nan 8.290 nan 0.000 0.665 760 E N -0.826 119.401 120.200 0.046 0.000 2.072 760 E HA -0.077 4.276 4.350 0.006 0.000 0.190 760 E C 2.333 178.972 176.600 0.065 0.000 0.982 760 E CA 1.270 57.699 56.400 0.047 0.000 0.803 760 E CB -0.206 29.509 29.700 0.025 0.000 0.755 760 E HN 0.667 nan 8.360 nan 0.000 0.453 761 E N 0.039 120.276 120.200 0.062 0.000 2.118 761 E HA -0.186 4.168 4.350 0.006 0.000 0.195 761 E C 2.041 178.701 176.600 0.100 0.000 0.992 761 E CA 1.064 57.508 56.400 0.074 0.000 0.804 761 E CB -0.071 29.665 29.700 0.060 0.000 0.741 761 E HN 0.159 nan 8.360 nan 0.000 0.458 762 S N 0.484 116.242 115.700 0.097 0.000 2.356 762 S HA -0.119 4.355 4.470 0.006 0.000 0.223 762 S C 1.941 176.643 174.600 0.169 0.000 1.032 762 S CA 0.696 58.965 58.200 0.114 0.000 1.005 762 S CB -0.232 63.018 63.200 0.084 0.000 0.867 762 S HN 0.315 nan 8.310 nan 0.000 0.449 763 L N 0.981 122.302 121.223 0.164 0.000 2.012 763 L HA -0.220 4.123 4.340 0.006 0.000 0.210 763 L C 2.495 179.553 176.870 0.313 0.000 1.073 763 L CA 1.971 56.949 54.840 0.230 0.000 0.748 763 L CB -0.567 41.591 42.059 0.166 0.000 0.891 763 L HN 0.480 nan 8.230 nan 0.000 0.431 764 Q N -0.730 119.212 119.800 0.236 0.000 2.167 764 Q HA -0.244 4.100 4.340 0.006 0.000 0.202 764 Q C 1.959 178.142 176.000 0.304 0.000 0.970 764 Q CA 1.542 57.501 55.803 0.260 0.000 0.855 764 Q CB -0.128 28.695 28.738 0.142 0.000 0.911 764 Q HN 0.582 nan 8.270 nan 0.000 0.438 765 E N 0.671 121.017 120.200 0.243 0.000 2.007 765 E HA -0.261 4.092 4.350 0.006 0.000 0.194 765 E C 1.826 178.585 176.600 0.265 0.000 0.999 765 E CA 1.094 57.624 56.400 0.216 0.000 0.811 765 E CB -0.342 29.462 29.700 0.173 0.000 0.762 765 E HN 0.446 nan 8.360 nan 0.000 0.450 766 Y N 0.080 120.488 120.300 0.181 0.000 2.193 766 Y HA -0.299 4.255 4.550 0.006 0.000 0.285 766 Y C 2.151 178.204 175.900 0.254 0.000 1.166 766 Y CA 2.081 60.297 58.100 0.193 0.000 1.181 766 Y CB -0.376 38.196 38.460 0.187 0.000 0.976 766 Y HN 0.254 nan 8.280 nan 0.000 0.520 767 F N 1.016 121.089 119.950 0.206 0.000 2.134 767 F HA -0.199 4.331 4.527 0.005 0.000 0.299 767 F C 2.212 178.092 175.800 0.134 0.000 1.097 767 F CA 1.719 59.834 58.000 0.193 0.000 1.264 767 F CB -0.397 38.775 39.000 0.287 0.000 1.001 767 F HN -0.159 nan 8.300 nan 0.000 0.479 768 K N 0.328 120.803 120.400 0.126 0.000 2.063 768 K HA -0.242 4.081 4.320 0.006 0.000 0.208 768 K C 2.063 178.579 176.600 -0.141 0.000 1.048 768 K CA 1.904 58.194 56.287 0.006 0.000 0.928 768 K CB -0.452 32.117 32.500 0.114 0.000 0.713 768 K HN 0.316 nan 8.250 nan 0.000 0.442 769 E N -0.201 119.923 120.200 -0.128 0.000 2.152 769 E HA -0.078 4.275 4.350 0.006 0.000 0.192 769 E C 1.701 178.124 176.600 -0.294 0.000 0.983 769 E CA 0.501 56.797 56.400 -0.172 0.000 0.818 769 E CB -0.186 29.449 29.700 -0.108 0.000 0.758 769 E HN 0.183 nan 8.360 nan 0.000 0.467 770 F N 1.235 120.856 119.950 -0.548 0.000 2.171 770 F HA -0.111 4.419 4.527 0.005 0.000 0.300 770 F C 2.135 177.655 175.800 -0.466 0.000 1.090 770 F CA 1.483 59.141 58.000 -0.571 0.000 1.293 770 F CB 0.115 38.666 39.000 -0.748 0.000 1.013 770 F HN 0.061 nan 8.300 nan 0.000 0.486 771 E N 0.276 120.235 120.200 -0.403 0.000 2.051 771 E HA -0.223 4.131 4.350 0.006 0.000 0.192 771 E C 2.193 178.693 176.600 -0.167 0.000 0.991 771 E CA 1.430 57.640 56.400 -0.316 0.000 0.799 771 E CB 0.001 29.479 29.700 -0.370 0.000 0.748 771 E HN 0.458 nan 8.360 nan 0.000 0.449 772 K N 0.368 120.661 120.400 -0.179 0.000 2.002 772 K HA -0.131 4.193 4.320 0.006 0.000 0.209 772 K C 1.945 178.439 176.600 -0.178 0.000 1.048 772 K CA 0.980 57.186 56.287 -0.135 0.000 0.930 772 K CB -0.102 32.329 32.500 -0.116 0.000 0.714 772 K HN 0.017 nan 8.250 nan 0.000 0.438 773 E N 0.714 120.764 120.200 -0.250 0.000 2.358 773 E HA -0.093 4.261 4.350 0.006 0.000 0.195 773 E C 1.651 178.029 176.600 -0.369 0.000 1.010 773 E CA 0.252 56.481 56.400 -0.286 0.000 0.856 773 E CB -0.322 29.215 29.700 -0.272 0.000 0.795 773 E HN 0.291 nan 8.360 nan 0.000 0.504 774 F N 2.376 121.945 119.950 -0.635 0.000 2.176 774 F HA -0.268 4.262 4.527 0.006 0.000 0.301 774 F C 1.988 177.549 175.800 -0.399 0.000 1.071 774 F CA 1.550 59.135 58.000 -0.691 0.000 1.289 774 F CB -0.063 38.532 39.000 -0.675 0.000 1.028 774 F HN -0.126 nan 8.300 nan 0.000 0.494 775 R N -0.209 119.773 120.500 -0.864 0.000 2.148 775 R HA -0.071 4.272 4.340 0.006 0.000 0.223 775 R C 1.565 177.357 176.300 -0.847 0.000 1.088 775 R CA 1.242 56.639 56.100 -1.171 0.000 0.985 775 R CB -0.242 29.512 30.300 -0.910 0.000 0.880 775 R HN 0.349 nan 8.270 nan 0.000 0.451 776 Q N -0.153 119.352 119.800 -0.492 0.000 2.280 776 Q HA 0.171 4.515 4.340 0.006 0.000 0.202 776 Q C -0.551 175.339 176.000 -0.183 0.000 0.903 776 Q CA 0.033 55.660 55.803 -0.292 0.000 0.948 776 Q CB 0.407 29.017 28.738 -0.214 0.000 1.058 776 Q HN 0.196 nan 8.270 nan 0.000 0.493 777 L N 1.192 122.296 121.223 -0.198 0.000 2.461 777 L HA 0.030 4.373 4.340 0.006 0.000 0.272 777 L C 0.890 177.770 176.870 0.017 0.000 1.197 777 L CA -0.277 54.518 54.840 -0.076 0.000 0.836 777 L CB 0.216 42.250 42.059 -0.042 0.000 1.105 777 L HN 0.275 nan 8.230 nan 0.000 0.477 778 N N 1.639 120.361 118.700 0.036 0.000 2.412 778 N HA -0.136 4.607 4.740 0.006 0.000 0.254 778 N C 0.960 176.540 175.510 0.117 0.000 1.232 778 N CA 0.083 53.186 53.050 0.088 0.000 0.880 778 N CB 0.653 39.159 38.487 0.032 0.000 1.076 778 N HN 0.660 nan 8.380 nan 0.000 0.458 779 Y N 3.366 123.681 120.300 0.025 0.000 2.207 779 Y HA -0.128 4.425 4.550 0.006 0.000 0.287 779 Y C 2.048 177.955 175.900 0.013 0.000 1.156 779 Y CA 0.743 58.859 58.100 0.027 0.000 1.182 779 Y CB -0.229 38.233 38.460 0.004 0.000 0.979 779 Y HN 0.498 nan 8.280 nan 0.000 0.521 780 I N 1.362 121.437 120.570 -0.824 0.000 2.286 780 I HA -0.315 3.859 4.170 0.006 0.000 0.248 780 I C 2.800 178.690 176.117 -0.379 0.000 1.115 780 I CA 1.846 62.701 61.300 -0.743 0.000 1.392 780 I CB -0.440 37.169 38.000 -0.652 0.000 1.065 780 I HN 0.556 nan 8.210 nan 0.000 0.418 781 S N 1.279 116.874 115.700 -0.175 0.000 2.402 781 S HA -0.129 4.344 4.470 0.006 0.000 0.229 781 S C 1.672 176.288 174.600 0.028 0.000 1.021 781 S CA 1.125 59.301 58.200 -0.040 0.000 0.974 781 S CB -0.686 62.523 63.200 0.015 0.000 0.800 781 S HN 0.601 nan 8.310 nan 0.000 0.484 782 I N -0.629 119.972 120.570 0.051 0.000 3.941 782 I HA 0.614 4.787 4.170 0.006 0.000 0.335 782 I C 0.605 176.791 176.117 0.116 0.000 1.402 782 I CA -0.676 60.711 61.300 0.146 0.000 1.112 782 I CB 0.025 38.173 38.000 0.247 0.000 1.043 782 I HN 0.257 nan 8.210 nan 0.000 0.395 783 A N 0.797 123.629 122.820 0.020 0.000 2.340 783 A HA 0.695 5.019 4.320 0.006 0.000 0.268 783 A C 0.502 178.124 177.584 0.063 0.000 1.100 783 A CA -0.218 51.839 52.037 0.033 0.000 0.803 783 A CB 0.384 19.310 19.000 -0.122 0.000 1.043 783 A HN 0.348 nan 8.150 nan 0.000 0.488 784 S N -0.506 115.251 115.700 0.095 0.000 2.614 784 S HA 0.484 4.957 4.470 0.006 0.000 0.265 784 S C -0.121 174.513 174.600 0.056 0.000 1.303 784 S CA -0.426 57.820 58.200 0.078 0.000 1.000 784 S CB 1.069 64.323 63.200 0.089 0.000 0.935 784 S HN 0.590 nan 8.310 nan 0.000 0.551 785 V N 1.440 121.349 119.914 -0.008 0.000 2.604 785 V HA 0.736 4.860 4.120 0.006 0.000 0.305 785 V C -0.168 175.834 176.094 -0.154 0.000 1.043 785 V CA -0.450 61.782 62.300 -0.113 0.000 0.888 785 V CB 1.940 33.670 31.823 -0.153 0.000 0.995 785 V HN 0.810 nan 8.190 nan 0.000 0.429 786 S N 2.264 117.837 115.700 -0.211 0.000 2.546 786 S HA 0.595 5.069 4.470 0.006 0.000 0.274 786 S C -0.431 174.030 174.600 -0.233 0.000 1.121 786 S CA -0.380 57.652 58.200 -0.280 0.000 0.887 786 S CB 2.092 64.990 63.200 -0.502 0.000 1.094 786 S HN 0.709 nan 8.310 nan 0.000 0.474 787 S N 1.836 117.414 115.700 -0.203 0.000 2.585 787 S HA 0.549 5.023 4.470 0.006 0.000 0.273 787 S C 0.018 174.611 174.600 -0.012 0.000 1.339 787 S CA -0.116 58.021 58.200 -0.104 0.000 1.028 787 S CB 0.859 64.016 63.200 -0.071 0.000 0.906 787 S HN 0.913 nan 8.310 nan 0.000 0.528 788 A N 3.902 126.744 122.820 0.037 0.000 2.786 788 A HA 0.446 4.770 4.320 0.006 0.000 0.346 788 A C -0.237 177.401 177.584 0.090 0.000 1.265 788 A CA -0.784 51.324 52.037 0.118 0.000 0.858 788 A CB -0.268 18.762 19.000 0.049 0.000 1.118 788 A HN 0.851 nan 8.150 nan 0.000 0.482 789 N N 0.575 119.355 118.700 0.133 0.000 2.456 789 N HA 0.426 5.169 4.740 0.006 0.000 0.296 789 N C -0.169 175.407 175.510 0.110 0.000 1.102 789 N CA -0.876 52.229 53.050 0.092 0.000 0.924 789 N CB 0.752 39.289 38.487 0.083 0.000 1.186 789 N HN 0.571 nan 8.380 nan 0.000 0.492 790 N N 0.193 118.934 118.700 0.068 0.000 2.725 790 N HA -0.210 4.534 4.740 0.006 0.000 0.249 790 N C 0.330 175.882 175.510 0.071 0.000 1.103 790 N CA 0.065 53.141 53.050 0.044 0.000 0.707 790 N CB -1.159 37.347 38.487 0.032 0.000 1.043 790 N HN 0.529 nan 8.380 nan 0.000 0.553 791 I N 0.221 120.836 120.570 0.074 0.000 2.074 791 I HA -0.411 3.763 4.170 0.006 0.000 0.238 791 I C 2.600 178.746 176.117 0.048 0.000 1.037 791 I CA 2.072 63.416 61.300 0.075 0.000 1.301 791 I CB -0.452 37.579 38.000 0.053 0.000 1.016 791 I HN 0.527 nan 8.210 nan 0.000 0.400 792 A N 0.436 123.260 122.820 0.006 0.000 1.927 792 A HA -0.349 3.974 4.320 0.006 0.000 0.220 792 A C 2.398 179.932 177.584 -0.084 0.000 1.185 792 A CA 2.502 54.513 52.037 -0.042 0.000 0.639 792 A CB -0.804 18.162 19.000 -0.056 0.000 0.820 792 A HN 0.509 nan 8.150 nan 0.000 0.451 793 K N -1.586 118.727 120.400 -0.145 0.000 2.147 793 K HA -0.165 4.158 4.320 0.006 0.000 0.205 793 K C 1.042 177.413 176.600 -0.381 0.000 1.049 793 K CA 1.709 57.813 56.287 -0.304 0.000 0.936 793 K CB -0.260 31.974 32.500 -0.444 0.000 0.722 793 K HN 0.639 nan 8.250 nan 0.000 0.446 794 Y N 0.693 120.979 120.300 -0.024 0.000 2.485 794 Y HA 0.044 4.597 4.550 0.006 0.000 0.260 794 Y C 1.625 177.517 175.900 -0.013 0.000 1.173 794 Y CA -0.553 57.536 58.100 -0.019 0.000 1.252 794 Y CB 0.249 38.690 38.460 -0.031 0.000 1.123 794 Y HN 0.159 nan 8.280 nan 0.000 0.524 795 D N 0.361 120.805 120.400 0.073 0.000 1.971 795 D HA -0.128 4.515 4.640 0.006 0.000 0.253 795 D C 0.500 176.834 176.300 0.057 0.000 1.019 795 D CA 1.884 55.911 54.000 0.044 0.000 0.947 795 D CB 0.105 40.900 40.800 -0.008 0.000 1.256 795 D HN -0.110 nan 8.370 nan 0.000 0.493 796 V N -0.288 119.643 119.914 0.028 0.000 5.851 796 V HA -0.053 4.070 4.120 0.006 0.000 0.335 796 V C 0.487 176.633 176.094 0.086 0.000 0.546 796 V CA 0.439 62.769 62.300 0.050 0.000 1.140 796 V CB -2.180 29.686 31.823 0.071 0.000 1.294 796 V HN 0.811 nan 8.190 nan 0.000 0.532 797 G N 1.928 110.759 108.800 0.052 0.000 2.354 797 G HA2 0.183 4.147 3.960 0.006 0.000 0.278 797 G HA3 0.183 4.147 3.960 0.006 0.000 0.278 797 G C 1.759 176.678 174.900 0.032 0.000 0.953 797 G CA 0.918 46.057 45.100 0.065 0.000 1.346 797 G HN 2.802 nan 8.290 nan 0.000 0.467 798 G N -0.929 107.817 108.800 -0.089 0.000 2.262 798 G HA2 -0.262 3.701 3.960 0.006 0.000 0.269 798 G HA3 -0.262 3.701 3.960 0.006 0.000 0.269 798 G C 0.451 175.112 174.900 -0.398 0.000 0.984 798 G CA 1.384 46.317 45.100 -0.279 0.000 0.649 798 G HN 1.370 nan 8.290 nan 0.000 0.548 799 F N 0.513 120.467 119.950 0.008 0.000 2.598 799 F HA 0.604 5.135 4.527 0.006 0.000 0.327 799 F C -2.120 173.687 175.800 0.013 0.000 1.057 799 F CA -2.694 55.311 58.000 0.007 0.000 0.957 799 F CB 1.687 40.689 39.000 0.005 0.000 1.278 799 F HN -0.269 nan 8.300 nan 0.000 0.484 800 P HA 0.145 nan 4.420 nan 0.000 0.262 800 P C -0.073 177.300 177.300 0.122 0.000 1.199 800 P CA 0.091 63.270 63.100 0.131 0.000 0.763 800 P CB 0.171 31.920 31.700 0.082 0.000 0.790 801 G N 4.548 113.429 108.800 0.135 0.000 2.543 801 G HA2 0.431 4.395 3.960 0.006 0.000 0.290 801 G HA3 0.431 4.395 3.960 0.006 0.000 0.290 801 G C -2.473 172.504 174.900 0.129 0.000 1.310 801 G CA -1.586 43.594 45.100 0.133 0.000 1.025 801 G HN 0.290 nan 8.290 nan 0.000 0.502 802 P HA 0.108 nan 4.420 nan 0.000 0.260 802 P C 0.088 177.475 177.300 0.146 0.000 1.185 802 P CA 0.551 63.715 63.100 0.107 0.000 0.763 802 P CB 0.612 32.369 31.700 0.094 0.000 0.776 803 K N 0.364 120.799 120.400 0.058 0.000 3.379 803 K HA -0.172 4.151 4.320 0.006 0.000 0.300 803 K C -0.355 176.121 176.600 -0.206 0.000 1.302 803 K CA 0.135 56.426 56.287 0.007 0.000 0.877 803 K CB -1.619 30.934 32.500 0.089 0.000 1.343 803 K HN 0.582 nan 8.250 nan 0.000 0.488 804 C N 2.157 121.305 119.300 -0.253 0.000 2.627 804 C HA 0.319 4.783 4.460 0.006 0.000 0.404 804 C C -1.775 172.994 174.990 -0.367 0.000 1.340 804 C CA -1.661 57.042 59.018 -0.524 0.000 1.758 804 C CB -0.472 27.145 27.740 -0.205 0.000 2.501 804 C HN 0.278 nan 8.230 nan 0.000 0.588 805 P HA -0.009 nan 4.420 nan 0.000 0.265 805 P C 0.654 177.892 177.300 -0.103 0.000 1.187 805 P CA 0.255 63.218 63.100 -0.227 0.000 0.766 805 P CB 0.178 31.651 31.700 -0.379 0.000 0.820 806 F N 3.436 123.345 119.950 -0.068 0.000 2.082 806 F HA -0.344 4.186 4.527 0.006 0.000 0.298 806 F C 2.477 178.282 175.800 0.009 0.000 1.091 806 F CA 2.349 60.348 58.000 -0.002 0.000 1.230 806 F CB -0.330 38.703 39.000 0.054 0.000 0.983 806 F HN 0.546 nan 8.300 nan 0.000 0.485 807 H N -0.821 118.323 119.070 0.123 0.000 2.403 807 H HA -0.058 4.501 4.556 0.006 0.000 0.298 807 H C 2.321 177.627 175.328 -0.038 0.000 1.059 807 H CA 1.583 57.645 56.048 0.022 0.000 1.363 807 H CB -0.992 28.801 29.762 0.053 0.000 1.410 807 H HN 0.268 nan 8.280 nan 0.000 0.528 808 I N 1.826 122.023 120.570 -0.621 0.000 2.226 808 I HA -0.230 3.944 4.170 0.006 0.000 0.245 808 I C 2.898 178.910 176.117 -0.175 0.000 1.100 808 I CA 1.239 62.327 61.300 -0.354 0.000 1.374 808 I CB -0.928 36.841 38.000 -0.385 0.000 1.057 808 I HN 0.257 nan 8.210 nan 0.000 0.413 809 R N 1.449 121.836 120.500 -0.190 0.000 2.117 809 R HA -0.168 4.175 4.340 0.006 0.000 0.243 809 R C 2.335 178.559 176.300 -0.126 0.000 1.143 809 R CA 1.885 57.906 56.100 -0.131 0.000 0.968 809 R CB -0.626 29.584 30.300 -0.150 0.000 0.863 809 R HN 0.364 nan 8.270 nan 0.000 0.444 810 G N 1.122 109.823 108.800 -0.165 0.000 2.440 810 G HA2 -0.237 3.727 3.960 0.006 0.000 0.218 810 G HA3 -0.237 3.727 3.960 0.006 0.000 0.218 810 G C 1.468 176.358 174.900 -0.016 0.000 1.154 810 G CA 1.045 46.075 45.100 -0.116 0.000 0.767 810 G HN 0.328 nan 8.290 nan 0.000 0.552 811 I N 0.371 120.942 120.570 0.000 0.000 2.315 811 I HA -0.071 4.102 4.170 0.006 0.000 0.248 811 I C 2.626 178.797 176.117 0.090 0.000 1.117 811 I CA 0.475 61.817 61.300 0.070 0.000 1.404 811 I CB -0.112 37.915 38.000 0.046 0.000 1.071 811 I HN 0.109 nan 8.210 nan 0.000 0.419 812 L N 0.186 121.422 121.223 0.022 0.000 2.083 812 L HA -0.206 4.138 4.340 0.006 0.000 0.209 812 L C 2.773 179.628 176.870 -0.024 0.000 1.083 812 L CA 2.050 56.886 54.840 -0.007 0.000 0.752 812 L CB -0.977 41.071 42.059 -0.019 0.000 0.899 812 L HN 0.428 nan 8.230 nan 0.000 0.433 813 T N -2.425 112.128 114.554 -0.001 0.000 2.985 813 T HA -0.216 4.137 4.350 0.006 0.000 0.266 813 T C 1.795 176.510 174.700 0.024 0.000 1.076 813 T CA 0.599 62.699 62.100 0.000 0.000 1.135 813 T CB -0.250 68.620 68.868 0.003 0.000 0.890 813 T HN 0.308 nan 8.240 nan 0.000 0.480 814 Y N 3.208 123.462 120.300 -0.077 0.000 2.060 814 Y HA -0.103 4.451 4.550 0.006 0.000 0.276 814 Y C 2.228 178.115 175.900 -0.022 0.000 1.127 814 Y CA 2.101 60.168 58.100 -0.054 0.000 1.104 814 Y CB -0.868 37.594 38.460 0.004 0.000 0.983 814 Y HN 0.198 nan 8.280 nan 0.000 0.483 815 N N 0.505 119.201 118.700 -0.007 0.000 2.242 815 N HA -0.241 4.503 4.740 0.006 0.000 0.193 815 N C 1.879 177.311 175.510 -0.129 0.000 1.000 815 N CA 1.705 54.700 53.050 -0.093 0.000 0.885 815 N CB -0.414 38.066 38.487 -0.010 0.000 0.988 815 N HN 0.475 nan 8.380 nan 0.000 0.444 816 R N -0.004 120.427 120.500 -0.114 0.000 2.080 816 R HA 0.164 4.508 4.340 0.006 0.000 0.222 816 R C 1.932 178.187 176.300 -0.074 0.000 1.107 816 R CA 0.969 56.997 56.100 -0.120 0.000 0.980 816 R CB -0.077 30.137 30.300 -0.142 0.000 0.879 816 R HN 0.202 nan 8.270 nan 0.000 0.439 817 A N 1.002 123.795 122.820 -0.044 0.000 2.119 817 A HA -0.028 4.295 4.320 0.006 0.000 0.216 817 A C 1.861 179.403 177.584 -0.069 0.000 1.152 817 A CA 0.722 52.777 52.037 0.031 0.000 0.708 817 A CB -0.231 18.903 19.000 0.224 0.000 0.805 817 A HN 0.432 nan 8.150 nan 0.000 0.460 818 I N -5.321 115.121 120.570 -0.214 0.000 4.057 818 I HA 0.260 4.434 4.170 0.006 0.000 0.334 818 I C 0.431 176.464 176.117 -0.141 0.000 1.308 818 I CA -0.512 60.658 61.300 -0.216 0.000 1.125 818 I CB 0.047 37.798 38.000 -0.416 0.000 1.034 818 I HN -0.217 nan 8.210 nan 0.000 0.401 819 K N 3.045 123.371 120.400 -0.123 0.000 2.539 819 K HA -0.063 4.260 4.320 0.006 0.000 0.271 819 K C 1.104 177.673 176.600 -0.051 0.000 1.004 819 K CA 1.989 58.229 56.287 -0.078 0.000 1.117 819 K CB -0.042 32.416 32.500 -0.070 0.000 0.815 819 K HN 0.747 nan 8.250 nan 0.000 0.481 820 G N 3.317 112.097 108.800 -0.034 0.000 4.492 820 G HA2 -0.333 3.630 3.960 0.006 0.000 0.265 820 G HA3 -0.333 3.630 3.960 0.006 0.000 0.265 820 G C -0.098 174.796 174.900 -0.011 0.000 1.702 820 G CA 0.152 45.242 45.100 -0.017 0.000 1.266 820 G HN 0.870 nan 8.290 nan 0.000 0.643 821 N N 2.319 121.010 118.700 -0.015 0.000 2.492 821 N HA 0.409 5.152 4.740 0.006 0.000 0.262 821 N C 1.525 177.035 175.510 0.000 0.000 1.202 821 N CA 0.155 53.203 53.050 -0.004 0.000 0.926 821 N CB 0.640 39.123 38.487 -0.005 0.000 1.078 821 N HN 0.738 nan 8.380 nan 0.000 0.454 822 I N -1.315 119.264 120.570 0.015 0.000 3.226 822 I HA -0.053 4.120 4.170 0.006 0.000 0.277 822 I C 1.400 177.537 176.117 0.034 0.000 1.243 822 I CA 0.435 61.752 61.300 0.028 0.000 1.459 822 I CB -1.307 36.716 38.000 0.039 0.000 1.093 822 I HN 0.755 nan 8.210 nan 0.000 0.453 823 D N 2.606 123.021 120.400 0.025 0.000 2.355 823 D HA -0.236 4.407 4.640 0.006 0.000 0.192 823 D C 1.038 177.369 176.300 0.051 0.000 1.014 823 D CA 2.162 56.181 54.000 0.031 0.000 0.862 823 D CB 0.293 41.107 40.800 0.023 0.000 0.986 823 D HN 0.460 nan 8.370 nan 0.000 0.456 824 A N 1.036 123.883 122.820 0.046 0.000 2.425 824 A HA 0.351 4.675 4.320 0.006 0.000 0.249 824 A C -2.121 175.536 177.584 0.122 0.000 1.084 824 A CA -0.909 51.174 52.037 0.076 0.000 0.781 824 A CB 0.325 19.341 19.000 0.026 0.000 1.019 824 A HN 0.232 nan 8.150 nan 0.000 0.490 825 P HA 0.131 nan 4.420 nan 0.000 0.271 825 P C -0.799 176.668 177.300 0.278 0.000 1.218 825 P CA -0.011 63.219 63.100 0.215 0.000 0.780 825 P CB 0.566 32.398 31.700 0.220 0.000 0.901 826 Q N 0.836 120.756 119.800 0.200 0.000 2.214 826 Q HA 0.364 4.707 4.340 0.006 0.000 0.251 826 Q C -0.254 175.840 176.000 0.158 0.000 0.936 826 Q CA -0.965 54.958 55.803 0.199 0.000 0.894 826 Q CB 1.390 30.196 28.738 0.113 0.000 1.252 826 Q HN 0.220 nan 8.270 nan 0.000 0.448 827 V N 1.736 121.752 119.914 0.169 0.000 2.530 827 V HA 0.152 4.275 4.120 0.006 0.000 0.282 827 V C 0.043 176.148 176.094 0.018 0.000 1.048 827 V CA -0.399 61.937 62.300 0.060 0.000 0.997 827 V CB 1.478 33.340 31.823 0.065 0.000 0.987 827 V HN 0.453 nan 8.190 nan 0.000 0.477 828 V N 4.289 124.179 119.914 -0.040 0.000 2.407 828 V HA 0.257 4.381 4.120 0.006 0.000 0.278 828 V C 0.282 176.350 176.094 -0.043 0.000 1.037 828 V CA -0.728 61.533 62.300 -0.066 0.000 0.900 828 V CB 1.575 33.314 31.823 -0.140 0.000 0.983 828 V HN 0.998 nan 8.190 nan 0.000 0.459 829 E N 4.176 124.365 120.200 -0.019 0.000 2.558 829 E HA 0.283 4.637 4.350 0.006 0.000 0.255 829 E C 1.169 177.751 176.600 -0.031 0.000 0.968 829 E CA 1.340 57.736 56.400 -0.006 0.000 0.939 829 E CB 0.136 29.844 29.700 0.013 0.000 0.921 829 E HN 0.972 nan 8.360 nan 0.000 0.477 830 G N 3.656 112.441 108.800 -0.025 0.000 2.284 830 G HA2 -0.261 3.703 3.960 0.006 0.000 0.230 830 G HA3 -0.261 3.703 3.960 0.006 0.000 0.230 830 G C 0.346 175.210 174.900 -0.060 0.000 1.021 830 G CA 0.196 45.270 45.100 -0.042 0.000 0.619 830 G HN 0.581 nan 8.290 nan 0.000 0.510 831 E N 0.830 120.987 120.200 -0.071 0.000 2.605 831 E HA 0.665 5.018 4.350 0.006 0.000 0.255 831 E C 0.743 177.284 176.600 -0.097 0.000 1.369 831 E CA -0.140 56.209 56.400 -0.086 0.000 1.017 831 E CB 0.265 29.903 29.700 -0.103 0.000 1.086 831 E HN 0.490 nan 8.360 nan 0.000 0.605 832 K N -0.522 119.793 120.400 -0.143 0.000 2.185 832 K HA 0.623 4.947 4.320 0.006 0.000 0.240 832 K C -1.022 175.391 176.600 -0.311 0.000 0.983 832 K CA -0.879 55.282 56.287 -0.210 0.000 0.873 832 K CB 1.569 33.922 32.500 -0.246 0.000 1.118 832 K HN 0.294 nan 8.250 nan 0.000 0.441 833 V N -1.334 118.357 119.914 -0.371 0.000 3.012 833 V HA 0.451 4.575 4.120 0.006 0.000 0.307 833 V C -1.381 174.369 176.094 -0.573 0.000 1.166 833 V CA -1.165 60.856 62.300 -0.466 0.000 0.974 833 V CB 0.862 32.531 31.823 -0.257 0.000 1.040 833 V HN 0.562 nan 8.190 nan 0.000 0.428 834 Y N 1.746 121.586 120.300 -0.767 0.000 2.300 834 Y HA 0.783 5.336 4.550 0.006 0.000 0.328 834 Y C 0.411 175.897 175.900 -0.690 0.000 1.270 834 Y CA -0.868 56.672 58.100 -0.933 0.000 1.352 834 Y CB 1.674 39.011 38.460 -1.872 0.000 1.286 834 Y HN 0.596 nan 8.280 nan 0.000 0.536 835 V N 4.122 123.957 119.914 -0.133 0.000 2.610 835 V HA 0.362 4.485 4.120 0.006 0.000 0.298 835 V C -0.882 175.341 176.094 0.216 0.000 1.067 835 V CA -0.899 61.452 62.300 0.085 0.000 0.894 835 V CB 1.651 33.553 31.823 0.130 0.000 1.015 835 V HN 0.518 nan 8.190 nan 0.000 0.432 836 L N 6.933 128.330 121.223 0.290 0.000 2.354 836 L HA 0.681 5.025 4.340 0.006 0.000 0.269 836 L C -2.403 174.580 176.870 0.188 0.000 1.005 836 L CA -1.874 53.116 54.840 0.250 0.000 0.819 836 L CB 3.074 45.289 42.059 0.260 0.000 1.311 836 L HN 0.385 nan 8.230 nan 0.000 0.423 837 P HA 0.285 nan 4.420 nan 0.000 0.276 837 P C -1.372 176.014 177.300 0.144 0.000 1.244 837 P CA -0.424 62.806 63.100 0.216 0.000 0.801 837 P CB 1.565 33.435 31.700 0.284 0.000 1.006 838 L N 1.954 123.261 121.223 0.141 0.000 2.370 838 L HA 0.460 4.804 4.340 0.006 0.000 0.266 838 L C 1.077 178.054 176.870 0.179 0.000 1.002 838 L CA -0.974 53.966 54.840 0.168 0.000 0.818 838 L CB 1.354 43.507 42.059 0.156 0.000 1.325 838 L HN 0.396 nan 8.230 nan 0.000 0.418 839 R N 0.575 121.225 120.500 0.250 0.000 2.738 839 R HA 0.208 4.551 4.340 0.006 0.000 0.275 839 R C -0.229 176.183 176.300 0.187 0.000 1.121 839 R CA -0.711 55.538 56.100 0.248 0.000 1.207 839 R CB 0.435 30.942 30.300 0.344 0.000 1.141 839 R HN 0.510 nan 8.270 nan 0.000 0.571 840 E N 0.256 120.557 120.200 0.168 0.000 2.415 840 E HA 0.007 4.360 4.350 0.006 0.000 0.263 840 E C 0.353 176.994 176.600 0.068 0.000 0.995 840 E CA 0.728 57.191 56.400 0.105 0.000 0.915 840 E CB 0.392 30.154 29.700 0.104 0.000 0.951 840 E HN 0.780 nan 8.360 nan 0.000 0.449 841 G N 3.457 112.237 108.800 -0.033 0.000 2.338 841 G HA2 -0.308 3.656 3.960 0.006 0.000 0.296 841 G HA3 -0.308 3.656 3.960 0.006 0.000 0.296 841 G C -0.225 174.403 174.900 -0.454 0.000 1.040 841 G CA 0.579 45.601 45.100 -0.130 0.000 1.004 841 G HN 0.696 nan 8.290 nan 0.000 0.509 842 N N -0.290 118.048 118.700 -0.604 0.000 2.483 842 N HA 0.599 5.342 4.740 0.006 0.000 0.269 842 N C -0.625 174.383 175.510 -0.838 0.000 1.209 842 N CA -1.612 50.705 53.050 -1.222 0.000 0.969 842 N CB 0.907 38.992 38.487 -0.670 0.000 1.173 842 N HN 0.055 nan 8.380 nan 0.000 0.475 843 P HA -0.115 nan 4.420 nan 0.000 0.223 843 P C 0.077 177.031 177.300 -0.575 0.000 1.144 843 P CA 1.105 63.792 63.100 -0.688 0.000 0.783 843 P CB -0.086 31.167 31.700 -0.746 0.000 0.771 844 F N -0.408 119.405 119.950 -0.228 0.000 2.797 844 F HA 0.334 4.865 4.527 0.006 0.000 0.302 844 F C 1.866 177.625 175.800 -0.068 0.000 1.130 844 F CA 0.566 58.497 58.000 -0.116 0.000 1.387 844 F CB -1.043 37.908 39.000 -0.083 0.000 1.107 844 F HN -0.001 nan 8.300 nan 0.000 0.577 845 G N 0.737 109.553 108.800 0.026 0.000 2.198 845 G HA2 -0.255 3.708 3.960 0.006 0.000 0.260 845 G HA3 -0.255 3.708 3.960 0.006 0.000 0.260 845 G C -0.380 174.568 174.900 0.080 0.000 1.025 845 G CA 0.552 45.679 45.100 0.044 0.000 0.769 845 G HN 0.377 nan 8.290 nan 0.000 0.507 846 D N -1.880 118.561 120.400 0.069 0.000 2.710 846 D HA 0.333 4.976 4.640 0.006 0.000 0.276 846 D C 1.010 177.328 176.300 0.030 0.000 1.267 846 D CA -0.168 53.862 54.000 0.052 0.000 0.772 846 D CB 0.490 41.325 40.800 0.057 0.000 1.299 846 D HN 0.156 nan 8.370 nan 0.000 0.421 847 K N -0.962 119.440 120.400 0.003 0.000 2.404 847 K HA 0.355 4.678 4.320 0.006 0.000 0.194 847 K C 0.439 177.024 176.600 -0.026 0.000 1.023 847 K CA 0.019 56.322 56.287 0.027 0.000 1.094 847 K CB -0.317 32.228 32.500 0.075 0.000 0.841 847 K HN 0.451 nan 8.250 nan 0.000 0.523 848 C N -1.671 117.541 119.300 -0.147 0.000 3.295 848 C HA 0.752 5.216 4.460 0.006 0.000 0.341 848 C C -1.371 173.520 174.990 -0.165 0.000 1.418 848 C CA -1.393 57.502 59.018 -0.206 0.000 1.240 848 C CB 0.578 27.923 27.740 -0.659 0.000 1.562 848 C HN 0.412 nan 8.230 nan 0.000 0.457 849 I N 0.785 121.296 120.570 -0.099 0.000 2.827 849 I HA 0.752 4.925 4.170 0.006 0.000 0.298 849 I C -0.735 175.439 176.117 0.095 0.000 1.235 849 I CA -0.406 60.860 61.300 -0.058 0.000 1.021 849 I CB 2.113 39.995 38.000 -0.197 0.000 1.259 849 I HN 1.396 nan 8.210 nan 0.000 0.427 850 A N 5.591 128.480 122.820 0.115 0.000 2.414 850 A HA 0.823 5.147 4.320 0.006 0.000 0.306 850 A C -1.811 175.806 177.584 0.054 0.000 1.054 850 A CA -0.456 51.652 52.037 0.117 0.000 0.724 850 A CB 0.960 19.961 19.000 0.001 0.000 1.267 850 A HN 0.879 nan 8.150 nan 0.000 0.418 851 W N 1.283 122.400 121.300 -0.305 0.000 3.032 851 W HA 0.797 5.460 4.660 0.006 0.000 0.341 851 W C -3.320 173.028 176.519 -0.285 0.000 1.202 851 W CA -2.691 54.326 57.345 -0.547 0.000 1.132 851 W CB 0.837 29.981 29.460 -0.526 0.000 1.465 851 W HN 0.414 nan 8.180 nan 0.000 0.576 852 P HA 0.163 nan 4.420 nan 0.000 0.280 852 P C -0.004 177.027 177.300 -0.449 0.000 1.244 852 P CA -0.148 62.769 63.100 -0.305 0.000 0.784 852 P CB 1.434 33.055 31.700 -0.131 0.000 0.913 853 S N 1.578 116.853 115.700 -0.708 0.000 2.589 853 S HA 0.397 4.870 4.470 0.006 0.000 0.265 853 S C 1.356 175.664 174.600 -0.486 0.000 1.342 853 S CA 0.351 57.875 58.200 -1.126 0.000 1.005 853 S CB -0.508 61.978 63.200 -1.190 0.000 0.909 853 S HN 0.944 nan 8.310 nan 0.000 0.555 854 G N 0.046 108.671 108.800 -0.291 0.000 2.184 854 G HA2 -0.232 3.732 3.960 0.006 0.000 0.264 854 G HA3 -0.232 3.732 3.960 0.006 0.000 0.264 854 G C 0.253 175.258 174.900 0.175 0.000 0.975 854 G CA 0.732 45.857 45.100 0.043 0.000 0.642 854 G HN 1.793 nan 8.290 nan 0.000 0.536 855 T N -2.226 112.480 114.554 0.254 0.000 2.924 855 T HA 0.679 5.033 4.350 0.006 0.000 0.291 855 T C -0.358 174.614 174.700 0.453 0.000 1.045 855 T CA -0.736 61.542 62.100 0.296 0.000 1.015 855 T CB 2.576 71.602 68.868 0.263 0.000 1.103 855 T HN 0.121 nan 8.240 nan 0.000 0.496 856 E N 1.699 122.084 120.200 0.309 0.000 2.373 856 E HA 0.249 4.603 4.350 0.006 0.000 0.267 856 E C 0.577 177.329 176.600 0.253 0.000 1.032 856 E CA -0.233 56.350 56.400 0.305 0.000 0.889 856 E CB 0.841 30.653 29.700 0.187 0.000 0.984 856 E HN 0.648 nan 8.360 nan 0.000 0.425 857 I N 0.216 120.779 120.570 -0.011 0.000 3.161 857 I HA -0.056 4.117 4.170 0.006 0.000 0.284 857 I C 0.958 177.062 176.117 -0.022 0.000 1.252 857 I CA -0.154 60.982 61.300 -0.273 0.000 1.374 857 I CB -0.321 37.277 38.000 -0.670 0.000 1.359 857 I HN 0.195 nan 8.210 nan 0.000 0.606 858 T N 2.799 117.393 114.554 0.067 0.000 2.939 858 T HA -0.063 4.291 4.350 0.006 0.000 0.319 858 T C 0.782 175.493 174.700 0.019 0.000 1.082 858 T CA 0.003 62.150 62.100 0.078 0.000 1.133 858 T CB 0.303 69.237 68.868 0.111 0.000 1.019 858 T HN 0.606 nan 8.240 nan 0.000 0.548 859 D N 1.495 121.907 120.400 0.020 0.000 2.144 859 D HA -0.041 4.602 4.640 0.006 0.000 0.200 859 D C 2.276 178.578 176.300 0.004 0.000 0.978 859 D CA 0.659 54.660 54.000 0.001 0.000 0.833 859 D CB -0.239 40.565 40.800 0.006 0.000 0.961 859 D HN 0.459 nan 8.370 nan 0.000 0.470 860 L N 0.432 121.665 121.223 0.017 0.000 2.125 860 L HA -0.277 4.067 4.340 0.006 0.000 0.234 860 L C 2.295 179.185 176.870 0.034 0.000 1.110 860 L CA 1.829 56.681 54.840 0.020 0.000 0.832 860 L CB -0.671 41.399 42.059 0.018 0.000 0.922 860 L HN 0.231 nan 8.230 nan 0.000 0.449 861 I N -5.994 114.606 120.570 0.050 0.000 4.227 861 I HA 0.066 4.240 4.170 0.006 0.000 0.334 861 I C 2.174 178.326 176.117 0.058 0.000 1.341 861 I CA -0.014 61.355 61.300 0.115 0.000 1.123 861 I CB 0.063 38.186 38.000 0.205 0.000 1.097 861 I HN 0.092 nan 8.210 nan 0.000 0.399 862 K N 2.246 122.618 120.400 -0.048 0.000 2.001 862 K HA -0.268 4.055 4.320 0.006 0.000 0.223 862 K C 1.479 178.006 176.600 -0.122 0.000 1.055 862 K CA 2.888 59.077 56.287 -0.163 0.000 0.965 862 K CB -0.221 32.174 32.500 -0.175 0.000 0.730 862 K HN 0.313 nan 8.250 nan 0.000 0.449 863 D N 0.855 121.212 120.400 -0.071 0.000 2.203 863 D HA -0.175 4.468 4.640 0.006 0.000 0.199 863 D C 1.617 177.931 176.300 0.023 0.000 0.997 863 D CA 1.272 55.242 54.000 -0.050 0.000 0.863 863 D CB -0.419 40.352 40.800 -0.049 0.000 0.928 863 D HN 0.344 nan 8.370 nan 0.000 0.458 864 D N 0.134 120.594 120.400 0.100 0.000 2.077 864 D HA -0.123 4.521 4.640 0.006 0.000 0.196 864 D C 2.312 178.863 176.300 0.420 0.000 0.986 864 D CA 0.796 54.955 54.000 0.265 0.000 0.829 864 D CB -0.722 40.215 40.800 0.230 0.000 0.983 864 D HN 0.159 nan 8.370 nan 0.000 0.453 865 V N 1.133 121.257 119.914 0.351 0.000 2.392 865 V HA -0.218 3.905 4.120 0.006 0.000 0.249 865 V C 2.325 178.464 176.094 0.076 0.000 1.059 865 V CA 1.354 63.795 62.300 0.234 0.000 1.051 865 V CB -0.604 31.174 31.823 -0.074 0.000 0.658 865 V HN 0.174 nan 8.190 nan 0.000 0.455 866 L N 0.188 121.376 121.223 -0.058 0.000 2.127 866 L HA -0.188 4.156 4.340 0.006 0.000 0.211 866 L C 2.717 179.611 176.870 0.041 0.000 1.089 866 L CA 2.157 56.944 54.840 -0.088 0.000 0.757 866 L CB -0.739 41.228 42.059 -0.153 0.000 0.899 866 L HN 0.627 nan 8.230 nan 0.000 0.434 867 H N -2.300 116.749 119.070 -0.035 0.000 2.575 867 H HA -0.061 4.498 4.556 0.006 0.000 0.267 867 H C 1.177 176.358 175.328 -0.246 0.000 0.966 867 H CA 0.268 56.228 56.048 -0.146 0.000 1.165 867 H CB 0.329 29.960 29.762 -0.219 0.000 1.433 867 H HN 0.344 nan 8.280 nan 0.000 0.544 868 W N 0.679 122.001 121.300 0.036 0.000 2.870 868 W HA 0.304 4.967 4.660 0.006 0.000 0.358 868 W C 0.424 176.940 176.519 -0.005 0.000 1.043 868 W CA -0.602 56.755 57.345 0.019 0.000 1.692 868 W CB 0.541 30.090 29.460 0.149 0.000 1.100 868 W HN -0.095 nan 8.180 nan 0.000 0.557 869 M N 1.549 121.207 119.600 0.097 0.000 2.245 869 M HA -0.104 4.380 4.480 0.006 0.000 0.335 869 M C 0.103 176.336 176.300 -0.111 0.000 1.155 869 M CA 1.073 56.314 55.300 -0.098 0.000 1.055 869 M CB 0.263 32.597 32.600 -0.442 0.000 1.670 869 M HN -0.225 nan 8.290 nan 0.000 0.447 870 D N 2.795 123.167 120.400 -0.047 0.000 2.499 870 D HA 0.135 4.778 4.640 0.006 0.000 0.225 870 D C 0.058 176.398 176.300 0.066 0.000 1.124 870 D CA 0.007 54.044 54.000 0.062 0.000 0.938 870 D CB 0.232 41.113 40.800 0.135 0.000 1.014 870 D HN 0.429 nan 8.370 nan 0.000 0.517 871 Y N 0.945 121.331 120.300 0.144 0.000 2.224 871 Y HA -0.184 4.370 4.550 0.006 0.000 0.289 871 Y C 2.525 178.652 175.900 0.378 0.000 1.146 871 Y CA 0.952 59.203 58.100 0.252 0.000 1.182 871 Y CB -0.388 38.058 38.460 -0.024 0.000 0.983 871 Y HN 0.258 nan 8.280 nan 0.000 0.524 872 T N -0.281 114.505 114.554 0.386 0.000 2.635 872 T HA -0.214 4.139 4.350 0.006 0.000 0.267 872 T C 2.091 176.920 174.700 0.216 0.000 1.040 872 T CA 1.858 64.123 62.100 0.276 0.000 1.156 872 T CB -0.762 68.220 68.868 0.190 0.000 0.863 872 T HN 0.133 nan 8.240 nan 0.000 0.430 873 V N 1.526 121.557 119.914 0.194 0.000 2.358 873 V HA -0.077 4.047 4.120 0.006 0.000 0.246 873 V C 2.526 178.710 176.094 0.149 0.000 1.047 873 V CA 1.009 63.399 62.300 0.149 0.000 1.035 873 V CB -0.615 31.298 31.823 0.150 0.000 0.658 873 V HN 0.395 nan 8.190 nan 0.000 0.452 874 L N -0.247 121.103 121.223 0.212 0.000 2.051 874 L HA -0.223 4.121 4.340 0.006 0.000 0.214 874 L C 2.400 179.364 176.870 0.157 0.000 1.076 874 L CA 2.534 57.512 54.840 0.231 0.000 0.758 874 L CB -0.762 41.530 42.059 0.389 0.000 0.890 874 L HN 0.446 nan 8.230 nan 0.000 0.433 875 L N -1.321 119.959 121.223 0.095 0.000 2.162 875 L HA -0.059 4.285 4.340 0.006 0.000 0.205 875 L C 2.454 179.340 176.870 0.027 0.000 1.086 875 L CA 1.242 55.997 54.840 -0.140 0.000 0.778 875 L CB -0.448 41.301 42.059 -0.517 0.000 0.928 875 L HN 0.118 nan 8.230 nan 0.000 0.446 876 E N 0.416 120.648 120.200 0.054 0.000 2.028 876 E HA -0.249 4.105 4.350 0.006 0.000 0.191 876 E C 2.155 178.756 176.600 0.002 0.000 0.988 876 E CA 1.344 57.769 56.400 0.042 0.000 0.799 876 E CB 0.059 29.791 29.700 0.053 0.000 0.755 876 E HN 0.489 nan 8.360 nan 0.000 0.447 877 K N -0.500 119.904 120.400 0.006 0.000 2.002 877 K HA -0.119 4.205 4.320 0.006 0.000 0.209 877 K C 2.153 178.729 176.600 -0.041 0.000 1.048 877 K CA 2.123 58.390 56.287 -0.033 0.000 0.930 877 K CB -0.098 32.377 32.500 -0.042 0.000 0.714 877 K HN 0.204 nan 8.250 nan 0.000 0.438 878 T N -2.824 111.735 114.554 0.009 0.000 3.014 878 T HA 0.059 4.412 4.350 0.006 0.000 0.250 878 T C 1.355 176.086 174.700 0.051 0.000 1.060 878 T CA -0.102 62.012 62.100 0.023 0.000 1.040 878 T CB 0.073 68.983 68.868 0.069 0.000 0.971 878 T HN 0.129 nan 8.240 nan 0.000 0.497 879 F N 0.636 120.503 119.950 -0.139 0.000 2.537 879 F HA 0.508 5.039 4.527 0.005 0.000 0.277 879 F C 1.638 177.294 175.800 -0.239 0.000 1.013 879 F CA -0.452 57.429 58.000 -0.200 0.000 1.332 879 F CB 0.162 39.022 39.000 -0.232 0.000 1.108 879 F HN -0.024 nan 8.300 nan 0.000 0.679 880 I N 0.520 120.982 120.570 -0.180 0.000 2.162 880 I HA -0.226 3.947 4.170 0.006 0.000 0.238 880 I C 2.297 178.180 176.117 -0.390 0.000 1.076 880 I CA 1.044 62.156 61.300 -0.314 0.000 1.353 880 I CB -0.546 37.424 38.000 -0.049 0.000 1.063 880 I HN 0.023 nan 8.210 nan 0.000 0.408 881 K N 0.640 120.892 120.400 -0.247 0.000 2.034 881 K HA -0.196 4.128 4.320 0.006 0.000 0.214 881 K C -0.219 176.160 176.600 -0.367 0.000 1.051 881 K CA 1.945 58.089 56.287 -0.239 0.000 0.931 881 K CB -1.545 30.860 32.500 -0.158 0.000 0.715 881 K HN 0.272 nan 8.250 nan 0.000 0.446 882 P HA -0.200 nan 4.420 nan 0.000 0.214 882 P C 1.713 178.282 177.300 -1.218 0.000 1.163 882 P CA 1.224 63.909 63.100 -0.692 0.000 0.889 882 P CB -0.152 31.215 31.700 -0.556 0.000 0.790 883 L N -0.241 120.321 121.223 -1.101 0.000 2.043 883 L HA -0.219 4.125 4.340 0.006 0.000 0.212 883 L C 2.531 178.962 176.870 -0.731 0.000 1.075 883 L CA 1.857 56.081 54.840 -1.027 0.000 0.752 883 L CB -0.612 40.792 42.059 -1.093 0.000 0.891 883 L HN 0.020 nan 8.230 nan 0.000 0.432 884 E N -0.400 119.451 120.200 -0.582 0.000 2.110 884 E HA -0.188 4.166 4.350 0.006 0.000 0.193 884 E C 1.941 178.400 176.600 -0.235 0.000 0.988 884 E CA 1.134 57.367 56.400 -0.279 0.000 0.804 884 E CB -0.214 29.391 29.700 -0.158 0.000 0.745 884 E HN 0.655 nan 8.360 nan 0.000 0.458 885 G N 0.818 109.418 108.800 -0.334 0.000 2.491 885 G HA2 -0.257 3.707 3.960 0.006 0.000 0.218 885 G HA3 -0.257 3.707 3.960 0.006 0.000 0.218 885 G C 1.260 176.128 174.900 -0.054 0.000 1.180 885 G CA 0.777 45.756 45.100 -0.202 0.000 0.774 885 G HN 0.177 nan 8.290 nan 0.000 0.562 886 F N 1.626 121.444 119.950 -0.219 0.000 2.325 886 F HA 0.061 4.592 4.527 0.006 0.000 0.299 886 F C 2.999 178.456 175.800 -0.571 0.000 1.090 886 F CA 1.256 59.005 58.000 -0.418 0.000 1.392 886 F CB -1.050 37.731 39.000 -0.364 0.000 1.053 886 F HN 0.273 nan 8.300 nan 0.000 0.521 887 T N -4.425 110.035 114.554 -0.157 0.000 3.039 887 T HA 0.023 4.377 4.350 0.006 0.000 0.250 887 T C 2.154 176.787 174.700 -0.112 0.000 1.052 887 T CA 0.844 62.857 62.100 -0.145 0.000 1.125 887 T CB -0.495 68.350 68.868 -0.038 0.000 0.908 887 T HN 0.007 nan 8.240 nan 0.000 0.473 888 S N 2.151 117.801 115.700 -0.084 0.000 2.353 888 S HA -0.029 4.444 4.470 0.006 0.000 0.222 888 S C 2.626 177.191 174.600 -0.058 0.000 1.035 888 S CA 1.334 59.499 58.200 -0.058 0.000 1.025 888 S CB -0.935 62.240 63.200 -0.042 0.000 0.902 888 S HN 0.731 nan 8.310 nan 0.000 0.440 889 A N 1.331 124.117 122.820 -0.057 0.000 1.892 889 A HA 0.002 4.325 4.320 0.006 0.000 0.218 889 A C 2.177 179.733 177.584 -0.047 0.000 1.188 889 A CA 1.908 53.937 52.037 -0.012 0.000 0.631 889 A CB -0.960 18.073 19.000 0.055 0.000 0.822 889 A HN 0.571 nan 8.150 nan 0.000 0.447 890 A N -1.851 120.877 122.820 -0.154 0.000 2.238 890 A HA 0.299 4.623 4.320 0.006 0.000 0.208 890 A C 0.511 178.036 177.584 -0.098 0.000 1.177 890 A CA 0.579 52.533 52.037 -0.138 0.000 0.804 890 A CB -0.140 18.700 19.000 -0.266 0.000 0.823 890 A HN 0.362 nan 8.150 nan 0.000 0.482 891 K N -0.946 119.404 120.400 -0.084 0.000 3.585 891 K HA -0.131 4.193 4.320 0.006 0.000 0.275 891 K C -0.861 175.702 176.600 -0.061 0.000 1.026 891 K CA 0.738 56.986 56.287 -0.064 0.000 0.800 891 K CB -2.423 30.042 32.500 -0.058 0.000 1.401 891 K HN 0.545 nan 8.250 nan 0.000 0.453 892 L N 0.228 121.412 121.223 -0.065 0.000 2.582 892 L HA 0.429 4.773 4.340 0.006 0.000 0.257 892 L C -0.570 176.267 176.870 -0.056 0.000 0.974 892 L CA -0.903 53.904 54.840 -0.055 0.000 0.851 892 L CB 2.315 44.341 42.059 -0.054 0.000 1.424 892 L HN 0.088 nan 8.230 nan 0.000 0.412 893 D N 0.113 120.471 120.400 -0.071 0.000 2.340 893 D HA 0.287 4.930 4.640 0.006 0.000 0.240 893 D C -0.441 175.787 176.300 -0.119 0.000 1.001 893 D CA -0.197 53.714 54.000 -0.149 0.000 0.888 893 D CB 2.221 42.894 40.800 -0.212 0.000 1.310 893 D HN 0.509 nan 8.370 nan 0.000 0.474 894 Y N -0.887 119.267 120.300 -0.243 0.000 2.481 894 Y HA 0.366 4.919 4.550 0.006 0.000 0.258 894 Y C 0.484 176.184 175.900 -0.332 0.000 1.103 894 Y CA -0.278 57.623 58.100 -0.331 0.000 1.287 894 Y CB 0.429 38.516 38.460 -0.622 0.000 1.108 894 Y HN 0.152 nan 8.280 nan 0.000 0.529 895 E N 1.913 121.690 120.200 -0.704 0.000 2.176 895 E HA 0.209 4.562 4.350 0.006 0.000 0.267 895 E C -0.624 175.841 176.600 -0.225 0.000 0.893 895 E CA -0.948 55.233 56.400 -0.364 0.000 0.761 895 E CB 0.952 30.401 29.700 -0.419 0.000 1.133 895 E HN -0.044 nan 8.360 nan 0.000 0.409 896 K N 3.291 123.641 120.400 -0.082 0.000 2.543 896 K HA -0.070 4.253 4.320 0.006 0.000 0.279 896 K C 0.054 176.618 176.600 -0.059 0.000 1.001 896 K CA 0.563 56.824 56.287 -0.044 0.000 1.088 896 K CB 0.347 32.852 32.500 0.008 0.000 0.863 896 K HN 0.316 nan 8.250 nan 0.000 0.488 897 K N 0.871 121.241 120.400 -0.050 0.000 2.149 897 K HA 0.086 4.409 4.320 0.006 0.000 0.245 897 K C -0.033 176.553 176.600 -0.022 0.000 1.024 897 K CA -0.234 56.022 56.287 -0.052 0.000 0.899 897 K CB 0.287 32.759 32.500 -0.046 0.000 1.038 897 K HN 0.622 nan 8.250 nan 0.000 0.496 898 A N 1.616 124.419 122.820 -0.028 0.000 2.639 898 A HA 0.051 4.374 4.320 0.006 0.000 0.295 898 A C 1.299 178.878 177.584 -0.008 0.000 1.443 898 A CA 0.259 52.288 52.037 -0.014 0.000 1.117 898 A CB -0.906 18.079 19.000 -0.024 0.000 1.098 898 A HN 0.646 nan 8.150 nan 0.000 0.552 899 S N 2.575 118.293 115.700 0.030 0.000 2.428 899 S HA -0.238 4.235 4.470 0.006 0.000 0.240 899 S C 1.145 175.725 174.600 -0.034 0.000 1.036 899 S CA 1.370 59.614 58.200 0.075 0.000 1.009 899 S CB -0.595 62.727 63.200 0.204 0.000 0.803 899 S HN 1.283 nan 8.310 nan 0.000 0.486 900 L N -2.509 118.671 121.223 -0.071 0.000 5.188 900 L HA -0.211 4.132 4.340 0.006 0.000 0.431 900 L C 1.118 177.851 176.870 -0.228 0.000 1.017 900 L CA 1.383 56.120 54.840 -0.172 0.000 1.195 900 L CB -2.170 39.734 42.059 -0.258 0.000 1.860 900 L HN 0.381 nan 8.230 nan 0.000 0.691 901 F N -0.563 119.383 119.950 -0.006 0.000 2.274 901 F HA 0.200 4.731 4.527 0.006 0.000 0.288 901 F C 1.489 177.288 175.800 -0.002 0.000 1.069 901 F CA 0.285 58.282 58.000 -0.003 0.000 1.343 901 F CB -0.095 38.904 39.000 -0.002 0.000 1.089 901 F HN 0.101 nan 8.300 nan 0.000 0.517 902 D N 0.000 120.524 120.400 0.207 0.000 6.856 902 D HA 0.000 4.643 4.640 0.006 0.000 0.175 902 D CA 0.000 54.061 54.000 0.102 0.000 0.868 902 D CB 0.000 40.833 40.800 0.056 0.000 0.688 902 D HN 0.000 nan 8.370 nan 0.000 0.683