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 1twh_1_B DATA FIRST_RESID 18 DATA SEQUENCE FEDESAPITA EDSWAVISAF FREKGLVSQQ LDSFNQFVDY TLQDIICEDS DATA SEQUENCE TLIXXXXXXX XXXXXXXXXX XEISFGKIYV TKPMVNESDG VTHALYPQEA DATA SEQUENCE RLRNLTYSSG LFVDVKKRTY EXXXXXXXXX XXXXXXXXXX XXXXXXKVFI DATA SEQUENCE GRLPIMLRSK NCYLSEATES DLYKLKECPF DMGGYFIING SEKVLIAQER DATA SEQUENCE SAGNIVQVFK KAAPSPISHV AEIRSALEKG SRFISTLQVK LYGREGSSAR DATA SEQUENCE TIKATLPYIK QDIPIVIIFR ALGIIPDGEI LEHICYDVND WQMLEMLKPC DATA SEQUENCE VEDGFVIQDR ETALDFIGRR GTALGIKKEK RIQYAKDILQ KEFLPHITQL DATA SEQUENCE EGFESRKAFF LGYMINRLLL CALDRKDQDD RDHFGKKRLD LAGPLLAQLF DATA SEQUENCE KTLFKKLTKD IFRYMQRTVE XXXXXXXXLA INAKTITSGL KYALATGNWG DATA SEQUENCE XXXXXXXXXA GVSQVLNRYT YSSTLSHLRR TNTPIXXXXX XAKPRQLHNT DATA SEQUENCE HWGLVCPAET PEGQACGLVK NLSLMSCISV GTDPMPIITF LSEWGMEPLE DATA SEQUENCE DYVPHQSPDA TRVFVNGVWH GVHRNPARLM ETLRTLRRKG DINPEVSMIR DATA SEQUENCE DIREKELKIF TDAGRVYRPL FIVEDDESLG HKELKVRKGH IAKLMATEYQ DATA SEQUENCE DXXXXXXXXX EYTWSSLLNE GLVEYIDAEE EESILIAMQP EDLEPXXXXX DATA SEQUENCE XXXXDVDPAK RIRVSHHATT FTHCEIHPSM ILGVAASIIP FPDHNQSPRN DATA SEQUENCE TYQSAMGKQA MGVFLTNYNV RMDTMANILY YPQKPLGTTR AMEYLKFREL DATA SEQUENCE PAGQNAIVAI ACYSGYNQED SMIMNQSSID RGLFRSLFFR SYMDQEKKYG DATA SEQUENCE MSITETFEKP QRTNTLRMKH GTYDKLDDDG LIAPGVRVSG EDVIIGKTTX DATA SEQUENCE XXXXXXXXXX XXXXXSKRDA STPLRSTENG IVDQVLVTTN QDGLKFVKVR DATA SEQUENCE VRTTKIPQIG DKFASRHGQK GTIGITYRRE DMPFTAEGIV PDLIINPHAI DATA SEQUENCE PSRMTVAHLI ECLLSKVAAL SGNEGDASPF TDITVEGISK LLREHGYQSR DATA SEQUENCE GFEVMYNGHT GKKLMAQIFF GPTYYQRLRH MVDDKIHARA RGPXXXXXXX DATA SEQUENCE XXXXXXXXXG LRFGEMERDC MIAHGAASFL KERLMEASDA FRVHIcGIcG DATA SEQUENCE LMTVIAKLNH NQFECKGcDN KIDIYQIHIP YAAKLLFQEL MAMNITPRLY DATA SEQUENCE TDRSRDF 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 18 F HA 0.000 nan 4.527 nan 0.000 0.279 18 F C 0.000 175.784 175.800 -0.026 0.000 0.967 18 F CA 0.000 57.986 58.000 -0.023 0.000 1.383 18 F CB 0.000 38.984 39.000 -0.026 0.000 1.145 19 E N 1.165 121.481 120.200 0.192 0.000 7.334 19 E HA -0.128 4.222 4.350 -0.000 0.000 0.208 19 E C -1.173 175.470 176.600 0.072 0.000 0.948 19 E CA 0.616 57.073 56.400 0.095 0.000 1.626 19 E CB -1.021 28.706 29.700 0.046 0.000 0.908 19 E HN 0.512 nan 8.360 nan 0.000 0.271 20 D N 1.653 122.089 120.400 0.059 0.000 2.345 20 D HA 0.100 4.740 4.640 -0.000 0.000 0.247 20 D C 1.211 177.488 176.300 -0.039 0.000 1.108 20 D CA 0.103 54.126 54.000 0.037 0.000 0.894 20 D CB 0.751 41.574 40.800 0.038 0.000 1.203 20 D HN 0.482 nan 8.370 nan 0.000 0.430 21 E N 0.159 120.301 120.200 -0.096 0.000 2.482 21 E HA -0.047 4.303 4.350 -0.000 0.000 0.196 21 E C 0.619 177.122 176.600 -0.162 0.000 1.047 21 E CA 0.295 56.601 56.400 -0.157 0.000 0.869 21 E CB 0.201 29.772 29.700 -0.215 0.000 0.836 21 E HN 0.056 nan 8.360 nan 0.000 0.520 22 S N 0.066 115.701 115.700 -0.109 0.000 2.593 22 S HA 0.363 4.833 4.470 -0.000 0.000 0.236 22 S C 0.307 174.864 174.600 -0.071 0.000 0.991 22 S CA -0.182 57.956 58.200 -0.103 0.000 0.963 22 S CB 0.686 63.841 63.200 -0.076 0.000 0.865 22 S HN 0.429 nan 8.310 nan 0.000 0.488 23 A N 2.842 125.626 122.820 -0.060 0.000 2.313 23 A HA 0.630 4.950 4.320 -0.000 0.000 0.261 23 A C -2.733 174.821 177.584 -0.050 0.000 1.090 23 A CA -1.312 50.699 52.037 -0.043 0.000 0.807 23 A CB -0.151 18.835 19.000 -0.023 0.000 1.055 23 A HN 0.144 nan 8.150 nan 0.000 0.492 24 P HA 0.305 nan 4.420 nan 0.000 0.281 24 P C -0.269 176.996 177.300 -0.058 0.000 1.249 24 P CA -0.509 62.549 63.100 -0.069 0.000 0.810 24 P CB 0.630 32.283 31.700 -0.077 0.000 1.008 25 I N -0.544 119.975 120.570 -0.085 0.000 2.834 25 I HA 0.576 4.746 4.170 -0.000 0.000 0.305 25 I C -0.130 175.957 176.117 -0.051 0.000 1.008 25 I CA -0.294 60.965 61.300 -0.068 0.000 1.273 25 I CB 0.561 38.501 38.000 -0.099 0.000 1.432 25 I HN 0.414 nan 8.210 nan 0.000 0.557 26 T N 0.490 115.041 114.554 -0.007 0.000 2.910 26 T HA 0.706 5.056 4.350 -0.000 0.000 0.287 26 T C 1.111 175.843 174.700 0.055 0.000 1.050 26 T CA -0.187 61.922 62.100 0.016 0.000 1.011 26 T CB 1.295 70.189 68.868 0.043 0.000 1.195 26 T HN 0.885 nan 8.240 nan 0.000 0.540 27 A N 0.429 123.295 122.820 0.077 0.000 1.927 27 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 27 A C 2.154 179.863 177.584 0.209 0.000 1.185 27 A CA 2.488 54.607 52.037 0.137 0.000 0.639 27 A CB -1.418 17.670 19.000 0.146 0.000 0.820 27 A HN 0.952 nan 8.150 nan 0.000 0.451 28 E N 0.671 121.000 120.200 0.215 0.000 2.219 28 E HA -0.181 4.169 4.350 -0.000 0.000 0.198 28 E C 1.178 177.940 176.600 0.271 0.000 0.998 28 E CA 1.503 58.075 56.400 0.288 0.000 0.818 28 E CB -0.395 29.427 29.700 0.203 0.000 0.741 28 E HN 0.617 nan 8.360 nan 0.000 0.477 29 D N -0.824 119.681 120.400 0.175 0.000 2.348 29 D HA -0.026 4.614 4.640 -0.000 0.000 0.216 29 D C 1.604 177.999 176.300 0.160 0.000 0.970 29 D CA 0.429 54.522 54.000 0.154 0.000 0.889 29 D CB 0.069 40.922 40.800 0.088 0.000 0.912 29 D HN 0.103 nan 8.370 nan 0.000 0.524 30 S N 0.159 115.937 115.700 0.130 0.000 2.368 30 S HA -0.166 4.304 4.470 -0.000 0.000 0.225 30 S C 1.509 176.013 174.600 -0.161 0.000 1.030 30 S CA 0.718 58.945 58.200 0.044 0.000 0.999 30 S CB -0.373 62.772 63.200 -0.093 0.000 0.844 30 S HN 0.447 nan 8.310 nan 0.000 0.459 31 W N 1.785 123.191 121.300 0.177 0.000 2.389 31 W HA -0.087 4.573 4.660 -0.000 0.000 0.267 31 W C 2.388 179.033 176.519 0.209 0.000 1.219 31 W CA 0.521 57.973 57.345 0.178 0.000 1.189 31 W CB -0.401 29.151 29.460 0.154 0.000 1.129 31 W HN 0.305 nan 8.180 nan 0.000 0.581 32 A N -0.506 122.489 122.820 0.291 0.000 1.935 32 A HA -0.050 4.270 4.320 -0.000 0.000 0.214 32 A C 1.972 179.708 177.584 0.253 0.000 1.178 32 A CA 1.473 53.677 52.037 0.278 0.000 0.640 32 A CB -0.801 18.341 19.000 0.237 0.000 0.825 32 A HN 0.079 nan 8.150 nan 0.000 0.447 33 V N 0.224 120.275 119.914 0.229 0.000 2.427 33 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 33 V C 2.363 178.576 176.094 0.198 0.000 1.051 33 V CA 1.776 64.230 62.300 0.256 0.000 1.048 33 V CB -0.648 31.368 31.823 0.322 0.000 0.666 33 V HN 0.546 nan 8.190 nan 0.000 0.456 34 I N -0.077 120.520 120.570 0.044 0.000 2.142 34 I HA -0.222 3.948 4.170 -0.000 0.000 0.240 34 I C 2.627 178.685 176.117 -0.099 0.000 1.078 34 I CA 1.583 62.792 61.300 -0.152 0.000 1.343 34 I CB -0.384 37.496 38.000 -0.201 0.000 1.046 34 I HN 0.235 nan 8.210 nan 0.000 0.405 35 S N 0.710 116.509 115.700 0.166 0.000 2.392 35 S HA -0.267 4.203 4.470 -0.000 0.000 0.232 35 S C 2.178 176.910 174.600 0.220 0.000 1.041 35 S CA 1.532 59.922 58.200 0.318 0.000 1.026 35 S CB -0.434 63.023 63.200 0.428 0.000 0.845 35 S HN 0.578 nan 8.310 nan 0.000 0.465 36 A N 0.396 123.345 122.820 0.215 0.000 1.969 36 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 36 A C 1.884 179.548 177.584 0.134 0.000 1.169 36 A CA 1.231 53.399 52.037 0.219 0.000 0.635 36 A CB -0.729 18.433 19.000 0.270 0.000 0.810 36 A HN 0.569 nan 8.150 nan 0.000 0.445 37 F N -1.065 118.770 119.950 -0.192 0.000 2.206 37 F HA -0.025 4.502 4.527 -0.000 0.000 0.298 37 F C 1.647 177.105 175.800 -0.571 0.000 1.090 37 F CA 1.400 58.980 58.000 -0.700 0.000 1.323 37 F CB -0.051 38.215 39.000 -1.224 0.000 1.028 37 F HN 0.205 nan 8.300 nan 0.000 0.492 38 F N -0.146 119.810 119.950 0.009 0.000 2.698 38 F HA 0.157 4.684 4.527 -0.000 0.000 0.295 38 F C 2.226 178.021 175.800 -0.009 0.000 1.124 38 F CA -0.034 57.963 58.000 -0.006 0.000 1.426 38 F CB -0.190 38.803 39.000 -0.013 0.000 1.120 38 F HN -0.266 nan 8.300 nan 0.000 0.583 39 R N 0.415 121.006 120.500 0.151 0.000 2.096 39 R HA -0.196 4.144 4.340 -0.000 0.000 0.235 39 R C 1.987 178.305 176.300 0.030 0.000 1.127 39 R CA 1.733 57.902 56.100 0.115 0.000 0.968 39 R CB -0.275 30.105 30.300 0.133 0.000 0.861 39 R HN 0.343 nan 8.270 nan 0.000 0.440 40 E N 0.521 120.681 120.200 -0.066 0.000 2.122 40 E HA -0.096 4.254 4.350 -0.000 0.000 0.190 40 E C 1.472 177.980 176.600 -0.153 0.000 0.977 40 E CA 0.907 57.246 56.400 -0.101 0.000 0.820 40 E CB 0.363 29.993 29.700 -0.117 0.000 0.770 40 E HN 0.117 nan 8.360 nan 0.000 0.462 41 K N -0.361 119.866 120.400 -0.290 0.000 2.348 41 K HA 0.153 4.473 4.320 -0.000 0.000 0.194 41 K C 0.883 177.411 176.600 -0.119 0.000 1.052 41 K CA 0.381 56.462 56.287 -0.344 0.000 1.004 41 K CB 0.784 32.807 32.500 -0.795 0.000 0.873 41 K HN 0.240 nan 8.250 nan 0.000 0.523 42 G N 1.701 110.499 108.800 -0.003 0.000 2.606 42 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.285 42 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.285 42 G C 0.385 175.402 174.900 0.195 0.000 1.311 42 G CA -0.042 45.132 45.100 0.124 0.000 0.922 42 G HN 0.205 nan 8.290 nan 0.000 0.559 43 L N -0.061 121.241 121.223 0.131 0.000 2.592 43 L HA 0.302 4.642 4.340 -0.000 0.000 0.227 43 L C 1.660 178.568 176.870 0.062 0.000 1.127 43 L CA 0.965 55.871 54.840 0.110 0.000 0.884 43 L CB 0.450 42.536 42.059 0.045 0.000 1.065 43 L HN 0.885 nan 8.230 nan 0.000 0.457 44 V N -5.092 114.841 119.914 0.032 0.000 2.792 44 V HA 0.214 4.334 4.120 -0.000 0.000 0.360 44 V C 1.332 177.416 176.094 -0.017 0.000 1.306 44 V CA 0.179 62.480 62.300 0.001 0.000 1.245 44 V CB -0.011 31.807 31.823 -0.008 0.000 1.382 44 V HN 0.216 nan 8.190 nan 0.000 0.636 45 S N 0.835 116.522 115.700 -0.022 0.000 2.419 45 S HA -0.285 4.184 4.470 -0.000 0.000 0.233 45 S C 1.749 176.319 174.600 -0.051 0.000 1.016 45 S CA 1.635 59.806 58.200 -0.049 0.000 0.974 45 S CB -0.509 62.632 63.200 -0.098 0.000 0.786 45 S HN 0.855 nan 8.310 nan 0.000 0.492 46 Q N 1.201 120.968 119.800 -0.055 0.000 2.096 46 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 46 Q C 2.302 178.277 176.000 -0.042 0.000 0.982 46 Q CA 1.438 57.202 55.803 -0.065 0.000 0.850 46 Q CB -0.514 28.184 28.738 -0.067 0.000 0.901 46 Q HN 0.510 nan 8.270 nan 0.000 0.422 47 Q N 1.075 120.854 119.800 -0.035 0.000 1.942 47 Q HA -0.087 4.253 4.340 -0.000 0.000 0.203 47 Q C 2.453 178.460 176.000 0.013 0.000 0.987 47 Q CA 1.366 57.153 55.803 -0.028 0.000 0.844 47 Q CB -0.514 28.188 28.738 -0.060 0.000 0.911 47 Q HN 0.434 nan 8.270 nan 0.000 0.423 48 L N 1.110 122.334 121.223 0.001 0.000 1.997 48 L HA -0.260 4.080 4.340 -0.000 0.000 0.216 48 L C 2.123 179.026 176.870 0.055 0.000 1.074 48 L CA 1.528 56.391 54.840 0.038 0.000 0.763 48 L CB -0.833 41.228 42.059 0.003 0.000 0.890 48 L HN 0.188 nan 8.230 nan 0.000 0.434 49 D N -0.650 119.758 120.400 0.013 0.000 2.144 49 D HA -0.165 4.475 4.640 -0.000 0.000 0.199 49 D C 2.402 178.709 176.300 0.011 0.000 0.984 49 D CA 1.361 55.364 54.000 0.004 0.000 0.834 49 D CB -0.077 40.710 40.800 -0.022 0.000 0.955 49 D HN 0.114 nan 8.370 nan 0.000 0.465 50 S N -0.913 114.797 115.700 0.016 0.000 2.383 50 S HA -0.132 4.338 4.470 -0.000 0.000 0.227 50 S C 1.680 176.301 174.600 0.036 0.000 1.026 50 S CA 0.485 58.695 58.200 0.017 0.000 0.981 50 S CB -0.275 62.934 63.200 0.015 0.000 0.818 50 S HN 0.253 nan 8.310 nan 0.000 0.472 51 F N 2.673 122.634 119.950 0.017 0.000 2.163 51 F HA 0.039 4.566 4.527 -0.000 0.000 0.297 51 F C 2.067 177.938 175.800 0.119 0.000 1.094 51 F CA 1.296 59.337 58.000 0.068 0.000 1.290 51 F CB -0.520 38.501 39.000 0.034 0.000 1.017 51 F HN 0.180 nan 8.300 nan 0.000 0.483 52 N N 0.674 119.362 118.700 -0.020 0.000 2.069 52 N HA -0.275 4.465 4.740 -0.000 0.000 0.191 52 N C 1.868 177.351 175.510 -0.045 0.000 1.031 52 N CA 1.747 54.780 53.050 -0.029 0.000 0.852 52 N CB -0.767 37.744 38.487 0.041 0.000 1.018 52 N HN 0.435 nan 8.380 nan 0.000 0.423 53 Q N -0.081 119.711 119.800 -0.014 0.000 2.181 53 Q HA -0.095 4.245 4.340 -0.000 0.000 0.205 53 Q C 1.816 177.833 176.000 0.028 0.000 0.980 53 Q CA 1.138 56.951 55.803 0.016 0.000 0.862 53 Q CB -0.348 28.370 28.738 -0.033 0.000 0.905 53 Q HN 0.369 nan 8.270 nan 0.000 0.429 54 F N -0.969 118.834 119.950 -0.244 0.000 2.206 54 F HA -0.057 4.470 4.527 -0.000 0.000 0.298 54 F C 1.593 177.198 175.800 -0.325 0.000 1.090 54 F CA 0.957 58.786 58.000 -0.284 0.000 1.323 54 F CB -0.188 38.581 39.000 -0.386 0.000 1.028 54 F HN -0.031 nan 8.300 nan 0.000 0.492 55 V N 0.634 120.358 119.914 -0.316 0.000 2.256 55 V HA -0.231 3.889 4.120 -0.000 0.000 0.240 55 V C 1.879 177.777 176.094 -0.327 0.000 1.036 55 V CA 2.062 64.115 62.300 -0.412 0.000 1.008 55 V CB -0.697 30.940 31.823 -0.309 0.000 0.648 55 V HN 0.183 nan 8.190 nan 0.000 0.453 56 D N -1.258 119.016 120.400 -0.210 0.000 2.362 56 D HA -0.191 4.449 4.640 -0.000 0.000 0.215 56 D C 1.128 177.254 176.300 -0.289 0.000 0.978 56 D CA 1.777 55.632 54.000 -0.243 0.000 0.921 56 D CB -0.041 40.693 40.800 -0.110 0.000 0.895 56 D HN 0.665 nan 8.370 nan 0.000 0.494 57 Y N -2.065 118.086 120.300 -0.248 0.000 3.042 57 Y HA 0.037 4.587 4.550 -0.000 0.000 0.230 57 Y C 2.171 177.917 175.900 -0.258 0.000 1.107 57 Y CA -0.018 57.959 58.100 -0.204 0.000 1.346 57 Y CB -0.347 38.034 38.460 -0.132 0.000 1.421 57 Y HN -0.214 nan 8.280 nan 0.000 0.438 58 T N 2.286 116.757 114.554 -0.137 0.000 2.946 58 T HA -0.119 4.231 4.350 -0.000 0.000 0.271 58 T C 1.684 176.145 174.700 -0.398 0.000 1.104 58 T CA 1.453 63.441 62.100 -0.188 0.000 1.114 58 T CB -0.296 68.560 68.868 -0.019 0.000 0.867 58 T HN 0.034 nan 8.240 nan 0.000 0.513 59 L N 1.145 122.007 121.223 -0.601 0.000 2.056 59 L HA 0.154 4.493 4.340 -0.000 0.000 0.202 59 L C 2.537 179.116 176.870 -0.485 0.000 1.086 59 L CA 1.712 56.065 54.840 -0.812 0.000 0.758 59 L CB -1.060 40.445 42.059 -0.923 0.000 0.912 59 L HN 0.079 nan 8.230 nan 0.000 0.446 60 Q N -0.488 119.088 119.800 -0.373 0.000 2.291 60 Q HA -0.224 4.116 4.340 -0.000 0.000 0.206 60 Q C 1.358 177.241 176.000 -0.196 0.000 0.976 60 Q CA 1.965 57.610 55.803 -0.264 0.000 0.875 60 Q CB -0.258 28.340 28.738 -0.233 0.000 0.927 60 Q HN 0.528 nan 8.270 nan 0.000 0.450 61 D N -0.649 119.651 120.400 -0.167 0.000 2.347 61 D HA -0.037 4.603 4.640 -0.000 0.000 0.215 61 D C 1.116 177.350 176.300 -0.110 0.000 0.976 61 D CA 0.443 54.378 54.000 -0.108 0.000 0.884 61 D CB 0.165 40.922 40.800 -0.072 0.000 0.915 61 D HN 0.325 nan 8.370 nan 0.000 0.526 62 I N 0.091 120.559 120.570 -0.171 0.000 2.333 62 I HA -0.121 4.049 4.170 -0.000 0.000 0.246 62 I C 2.039 178.044 176.117 -0.187 0.000 1.106 62 I CA 0.554 61.774 61.300 -0.133 0.000 1.411 62 I CB -0.538 37.374 38.000 -0.147 0.000 1.082 62 I HN 0.025 nan 8.210 nan 0.000 0.420 63 I N 0.336 120.707 120.570 -0.331 0.000 2.657 63 I HA -0.292 3.877 4.170 -0.000 0.000 0.261 63 I C 2.029 178.128 176.117 -0.030 0.000 1.212 63 I CA 1.277 62.389 61.300 -0.314 0.000 1.453 63 I CB -0.123 37.674 38.000 -0.338 0.000 1.092 63 I HN 0.269 nan 8.210 nan 0.000 0.452 64 C N -0.772 118.515 119.300 -0.020 0.000 3.580 64 C HA 0.144 4.604 4.460 -0.000 0.000 0.337 64 C C 1.329 176.334 174.990 0.026 0.000 1.412 64 C CA -0.602 58.430 59.018 0.023 0.000 1.797 64 C CB -0.738 27.000 27.740 -0.002 0.000 2.470 64 C HN 0.457 nan 8.230 nan 0.000 0.691 65 E N 1.880 122.087 120.200 0.012 0.000 2.421 65 E HA -0.069 4.281 4.350 -0.000 0.000 0.253 65 E C -0.507 176.139 176.600 0.078 0.000 1.277 65 E CA 0.314 56.728 56.400 0.023 0.000 0.968 65 E CB -0.035 29.667 29.700 0.003 0.000 1.040 65 E HN 0.294 nan 8.360 nan 0.000 0.512 66 D N 1.313 121.759 120.400 0.077 0.000 5.490 66 D HA -0.153 4.487 4.640 -0.000 0.000 0.188 66 D C 0.782 177.210 176.300 0.214 0.000 1.203 66 D CA 0.590 54.652 54.000 0.103 0.000 0.820 66 D CB -0.261 40.569 40.800 0.050 0.000 1.284 66 D HN 0.384 nan 8.370 nan 0.000 0.662 67 S N -0.125 115.705 115.700 0.218 0.000 2.382 67 S HA -0.110 4.360 4.470 -0.000 0.000 0.228 67 S C 0.909 175.704 174.600 0.326 0.000 1.027 67 S CA 1.123 59.525 58.200 0.337 0.000 0.991 67 S CB 0.346 63.662 63.200 0.193 0.000 0.823 67 S HN 0.509 nan 8.310 nan 0.000 0.469 68 T N 0.570 115.225 114.554 0.168 0.000 2.888 68 T HA 0.730 5.079 4.350 -0.000 0.000 0.284 68 T C -0.403 174.351 174.700 0.091 0.000 1.017 68 T CA -0.899 61.248 62.100 0.078 0.000 1.022 68 T CB 1.864 70.730 68.868 -0.003 0.000 1.013 68 T HN 0.149 nan 8.240 nan 0.000 0.465 69 L N 0.752 122.026 121.223 0.084 0.000 2.426 69 L HA 0.716 5.056 4.340 -0.000 0.000 0.260 69 L C -0.435 176.540 176.870 0.174 0.000 1.233 69 L CA -1.362 53.574 54.840 0.159 0.000 1.267 69 L CB 0.465 42.680 42.059 0.259 0.000 1.814 69 L HN 0.434 nan 8.230 nan 0.000 0.561 90 I N 1.896 122.392 120.570 -0.122 0.000 8.342 90 I HA -0.209 3.961 4.170 -0.000 0.000 0.126 90 I C -0.791 175.145 176.117 -0.301 0.000 1.849 90 I CA 1.468 62.639 61.300 -0.214 0.000 2.049 90 I CB -1.389 36.465 38.000 -0.242 0.000 3.803 90 I HN 0.317 nan 8.210 nan 0.000 0.173 91 S N 5.918 121.414 115.700 -0.342 0.000 2.619 91 S HA 0.880 5.350 4.470 -0.000 0.000 0.280 91 S C -0.641 173.832 174.600 -0.213 0.000 1.150 91 S CA -1.056 57.006 58.200 -0.230 0.000 0.978 91 S CB 1.460 64.609 63.200 -0.085 0.000 1.041 91 S HN 0.392 nan 8.310 nan 0.000 0.485 92 F N 1.970 121.959 119.950 0.064 0.000 2.396 92 F HA 0.817 5.344 4.527 -0.000 0.000 0.343 92 F C 1.111 176.942 175.800 0.052 0.000 1.104 92 F CA -0.652 57.400 58.000 0.086 0.000 1.161 92 F CB 0.276 39.371 39.000 0.159 0.000 1.146 92 F HN 0.909 nan 8.300 nan 0.000 0.522 93 G N 1.451 110.382 108.800 0.218 0.000 3.341 93 G HA2 0.296 4.256 3.960 -0.000 0.000 0.177 93 G HA3 0.296 4.256 3.960 -0.000 0.000 0.177 93 G C -0.501 174.463 174.900 0.106 0.000 1.236 93 G CA -0.880 44.294 45.100 0.124 0.000 0.888 93 G HN 0.631 nan 8.290 nan 0.000 0.644 94 K N -0.863 119.591 120.400 0.090 0.000 2.339 94 K HA 0.194 4.514 4.320 -0.000 0.000 0.260 94 K C -0.897 175.766 176.600 0.106 0.000 0.989 94 K CA 0.171 56.491 56.287 0.056 0.000 0.888 94 K CB 0.051 32.594 32.500 0.072 0.000 0.983 94 K HN 0.067 nan 8.250 nan 0.000 0.515 95 I N 2.142 122.724 120.570 0.020 0.000 2.509 95 I HA 0.268 4.438 4.170 -0.000 0.000 0.293 95 I C -1.050 175.130 176.117 0.105 0.000 1.020 95 I CA -0.426 60.931 61.300 0.096 0.000 1.088 95 I CB 1.320 39.291 38.000 -0.049 0.000 1.267 95 I HN 0.459 nan 8.210 nan 0.000 0.430 96 Y N 4.080 124.402 120.300 0.037 0.000 2.534 96 Y HA 0.767 5.317 4.550 -0.000 0.000 0.329 96 Y C -0.011 175.899 175.900 0.017 0.000 1.154 96 Y CA -1.259 56.858 58.100 0.029 0.000 1.192 96 Y CB 1.445 39.950 38.460 0.075 0.000 1.275 96 Y HN 0.164 nan 8.280 nan 0.000 0.491 97 V N 1.242 121.263 119.914 0.178 0.000 2.531 97 V HA 0.307 4.427 4.120 -0.000 0.000 0.301 97 V C -0.603 175.559 176.094 0.114 0.000 1.034 97 V CA -1.178 61.168 62.300 0.077 0.000 0.865 97 V CB 1.948 33.761 31.823 -0.017 0.000 0.995 97 V HN 0.889 nan 8.190 nan 0.000 0.424 98 T N 4.602 119.222 114.554 0.110 0.000 2.940 98 T HA 0.168 4.518 4.350 -0.000 0.000 0.309 98 T C 0.427 175.117 174.700 -0.017 0.000 1.056 98 T CA -0.304 61.855 62.100 0.097 0.000 1.137 98 T CB 0.365 69.287 68.868 0.091 0.000 0.976 98 T HN 0.580 nan 8.240 nan 0.000 0.547 99 K N 2.442 122.807 120.400 -0.058 0.000 2.244 99 K HA 0.151 4.471 4.320 -0.000 0.000 0.242 99 K C -2.478 174.013 176.600 -0.181 0.000 1.082 99 K CA -1.131 55.009 56.287 -0.245 0.000 0.841 99 K CB -0.508 31.701 32.500 -0.485 0.000 1.129 99 K HN 0.361 nan 8.250 nan 0.000 0.516 100 P HA 0.287 nan 4.420 nan 0.000 0.287 100 P C -0.775 176.527 177.300 0.003 0.000 1.270 100 P CA -0.420 62.565 63.100 -0.192 0.000 0.844 100 P CB 1.033 32.386 31.700 -0.578 0.000 1.068 101 M N -0.191 119.395 119.600 -0.024 0.000 2.895 101 M HA 0.700 5.180 4.480 -0.000 0.000 0.271 101 M C -2.085 174.244 176.300 0.047 0.000 1.174 101 M CA -1.031 54.284 55.300 0.025 0.000 0.816 101 M CB 1.848 34.492 32.600 0.073 0.000 1.647 101 M HN 0.005 nan 8.290 nan 0.000 0.506 102 V N 0.364 120.329 119.914 0.086 0.000 2.733 102 V HA 0.441 4.561 4.120 -0.000 0.000 0.306 102 V C -0.797 175.361 176.094 0.107 0.000 1.084 102 V CA -0.745 61.617 62.300 0.103 0.000 0.905 102 V CB 1.522 33.414 31.823 0.114 0.000 1.010 102 V HN 0.995 nan 8.190 nan 0.000 0.424 103 N N 3.427 122.177 118.700 0.083 0.000 2.417 103 N HA 0.021 4.761 4.740 -0.000 0.000 0.272 103 N C 0.105 175.659 175.510 0.074 0.000 1.304 103 N CA 0.302 53.388 53.050 0.060 0.000 0.906 103 N CB 0.462 38.973 38.487 0.040 0.000 1.135 103 N HN 0.740 nan 8.380 nan 0.000 0.483 104 E N 1.373 121.616 120.200 0.072 0.000 2.349 104 E HA 0.018 4.367 4.350 -0.000 0.000 0.265 104 E C -0.042 176.583 176.600 0.041 0.000 1.064 104 E CA -0.243 56.196 56.400 0.065 0.000 0.886 104 E CB 0.747 30.488 29.700 0.068 0.000 1.036 104 E HN 0.729 nan 8.360 nan 0.000 0.413 105 S N 2.856 118.579 115.700 0.039 0.000 2.965 105 S HA -0.106 4.364 4.470 -0.000 0.000 0.322 105 S C -0.198 174.413 174.600 0.019 0.000 1.010 105 S CA -0.144 58.070 58.200 0.023 0.000 1.797 105 S CB -0.583 62.625 63.200 0.014 0.000 1.410 105 S HN 0.475 nan 8.310 nan 0.000 0.640 106 D N 1.278 121.687 120.400 0.015 0.000 4.733 106 D HA -0.091 4.549 4.640 -0.000 0.000 0.239 106 D C 1.069 177.372 176.300 0.004 0.000 1.075 106 D CA 1.959 55.964 54.000 0.008 0.000 1.258 106 D CB -1.185 39.619 40.800 0.007 0.000 0.761 106 D HN 1.206 nan 8.370 nan 0.000 0.378 107 G N 0.394 109.193 108.800 -0.002 0.000 2.284 107 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.216 107 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.216 107 G C 0.393 175.282 174.900 -0.018 0.000 1.009 107 G CA 0.311 45.403 45.100 -0.014 0.000 0.625 107 G HN 1.607 nan 8.290 nan 0.000 0.501 108 V N 0.406 120.320 119.914 0.001 0.000 3.627 108 V HA -0.044 4.076 4.120 -0.000 0.000 0.518 108 V C 1.171 177.285 176.094 0.034 0.000 0.682 108 V CA 1.652 63.964 62.300 0.019 0.000 2.073 108 V CB -1.185 30.645 31.823 0.011 0.000 2.489 108 V HN 2.189 nan 8.190 nan 0.000 0.513 109 T N 3.539 118.135 114.554 0.070 0.000 0.749 109 T HA -0.195 4.155 4.350 -0.000 0.000 0.750 109 T C -0.533 174.262 174.700 0.158 0.000 0.989 109 T CA 1.546 63.710 62.100 0.106 0.000 3.962 109 T CB -0.586 68.325 68.868 0.072 0.000 2.235 109 T HN 1.630 nan 8.240 nan 0.000 0.384 110 H N 1.336 120.435 119.070 0.049 0.000 2.782 110 H HA 0.607 5.163 4.556 -0.000 0.000 0.347 110 H C -0.025 175.330 175.328 0.045 0.000 1.038 110 H CA -0.289 55.788 56.048 0.048 0.000 1.255 110 H CB 1.171 30.963 29.762 0.050 0.000 1.623 110 H HN 0.917 nan 8.280 nan 0.000 0.525 111 A N 4.142 127.006 122.820 0.072 0.000 2.600 111 A HA 0.146 4.466 4.320 -0.000 0.000 0.244 111 A C -0.374 176.905 177.584 -0.509 0.000 1.016 111 A CA 0.234 52.163 52.037 -0.180 0.000 0.778 111 A CB -0.573 18.302 19.000 -0.208 0.000 0.920 111 A HN 0.514 nan 8.150 nan 0.000 0.513 112 L N 5.006 126.031 121.223 -0.331 0.000 2.276 112 L HA 0.586 4.926 4.340 -0.000 0.000 0.286 112 L C -0.819 175.950 176.870 -0.167 0.000 1.024 112 L CA -0.533 54.171 54.840 -0.226 0.000 0.826 112 L CB 0.249 42.286 42.059 -0.037 0.000 1.211 112 L HN 0.598 nan 8.230 nan 0.000 0.422 113 Y N 6.551 126.819 120.300 -0.053 0.000 2.300 113 Y HA 0.339 4.889 4.550 -0.000 0.000 0.328 113 Y C -1.205 174.790 175.900 0.159 0.000 1.270 113 Y CA -1.290 56.853 58.100 0.072 0.000 1.352 113 Y CB 0.228 38.655 38.460 -0.054 0.000 1.286 113 Y HN 0.542 nan 8.280 nan 0.000 0.536 114 P HA -0.225 nan 4.420 nan 0.000 0.216 114 P C 1.211 178.522 177.300 0.020 0.000 1.153 114 P CA 1.399 64.462 63.100 -0.061 0.000 0.848 114 P CB 0.356 31.833 31.700 -0.371 0.000 0.787 115 Q N 0.470 120.299 119.800 0.048 0.000 2.315 115 Q HA -0.234 4.106 4.340 -0.000 0.000 0.213 115 Q C 2.103 178.131 176.000 0.046 0.000 0.994 115 Q CA 2.133 57.956 55.803 0.033 0.000 0.906 115 Q CB -0.759 27.986 28.738 0.012 0.000 0.918 115 Q HN 0.453 nan 8.270 nan 0.000 0.427 116 E N -2.051 118.196 120.200 0.079 0.000 2.127 116 E HA 0.073 4.423 4.350 -0.000 0.000 0.191 116 E C 1.488 178.139 176.600 0.085 0.000 0.964 116 E CA 0.649 57.100 56.400 0.084 0.000 0.832 116 E CB -0.167 29.596 29.700 0.105 0.000 0.790 116 E HN 0.310 nan 8.360 nan 0.000 0.465 117 A N 0.688 123.567 122.820 0.098 0.000 2.167 117 A HA 0.042 4.362 4.320 -0.000 0.000 0.214 117 A C 1.989 179.605 177.584 0.053 0.000 1.151 117 A CA 0.355 52.451 52.037 0.099 0.000 0.735 117 A CB -0.232 18.856 19.000 0.148 0.000 0.802 117 A HN 0.113 nan 8.150 nan 0.000 0.467 118 R N -0.644 119.873 120.500 0.028 0.000 2.062 118 R HA 0.104 4.444 4.340 -0.000 0.000 0.226 118 R C 1.830 178.116 176.300 -0.024 0.000 1.125 118 R CA 1.036 57.137 56.100 0.001 0.000 0.966 118 R CB -0.323 29.975 30.300 -0.004 0.000 0.861 118 R HN 0.484 nan 8.270 nan 0.000 0.433 119 L N 0.503 121.720 121.223 -0.009 0.000 2.083 119 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 119 L C 1.984 178.828 176.870 -0.042 0.000 1.083 119 L CA 1.344 56.167 54.840 -0.028 0.000 0.752 119 L CB -0.277 41.786 42.059 0.006 0.000 0.899 119 L HN 0.180 nan 8.230 nan 0.000 0.433 120 R N 0.400 120.919 120.500 0.031 0.000 2.319 120 R HA 0.038 4.378 4.340 -0.000 0.000 0.204 120 R C 0.067 176.449 176.300 0.136 0.000 0.954 120 R CA 0.089 56.263 56.100 0.123 0.000 1.066 120 R CB -0.456 29.954 30.300 0.185 0.000 0.991 120 R HN 0.498 nan 8.270 nan 0.000 0.486 121 N N 1.033 119.710 118.700 -0.039 0.000 2.708 121 N HA -0.197 4.543 4.740 -0.000 0.000 0.249 121 N C -0.325 175.261 175.510 0.128 0.000 1.097 121 N CA 0.039 53.095 53.050 0.009 0.000 0.710 121 N CB -1.012 37.421 38.487 -0.090 0.000 1.032 121 N HN 0.251 nan 8.380 nan 0.000 0.551 122 L N -0.007 121.290 121.223 0.123 0.000 2.490 122 L HA 0.329 4.669 4.340 -0.000 0.000 0.245 122 L C 0.928 177.876 176.870 0.131 0.000 1.185 122 L CA 0.044 54.967 54.840 0.137 0.000 0.813 122 L CB 0.706 42.851 42.059 0.143 0.000 1.233 122 L HN -0.014 nan 8.230 nan 0.000 0.489 123 T N -0.289 114.351 114.554 0.143 0.000 3.009 123 T HA 0.154 4.504 4.350 -0.000 0.000 0.346 123 T C -0.743 174.076 174.700 0.198 0.000 1.092 123 T CA -0.292 61.901 62.100 0.154 0.000 1.080 123 T CB 0.029 68.972 68.868 0.125 0.000 1.037 123 T HN 0.282 nan 8.240 nan 0.000 0.487 124 Y N 4.761 125.107 120.300 0.076 0.000 2.576 124 Y HA 0.350 4.899 4.550 -0.000 0.000 0.348 124 Y C 0.501 176.442 175.900 0.068 0.000 1.212 124 Y CA -0.272 57.869 58.100 0.068 0.000 1.683 124 Y CB -0.406 38.093 38.460 0.064 0.000 1.484 124 Y HN 0.578 nan 8.280 nan 0.000 0.477 125 S N 2.476 118.179 115.700 0.005 0.000 2.600 125 S HA 0.836 5.306 4.470 -0.000 0.000 0.300 125 S C -0.577 173.978 174.600 -0.074 0.000 1.087 125 S CA -0.923 57.280 58.200 0.004 0.000 0.965 125 S CB 2.068 65.307 63.200 0.065 0.000 1.089 125 S HN 0.399 nan 8.310 nan 0.000 0.496 126 S N -0.766 114.913 115.700 -0.036 0.000 2.671 126 S HA 0.925 5.395 4.470 -0.000 0.000 0.299 126 S C -0.056 174.524 174.600 -0.034 0.000 1.116 126 S CA -0.512 57.665 58.200 -0.039 0.000 0.912 126 S CB 1.607 64.773 63.200 -0.057 0.000 1.130 126 S HN 1.174 nan 8.310 nan 0.000 0.501 127 G N 0.391 109.153 108.800 -0.063 0.000 2.537 127 G HA2 0.688 4.647 3.960 -0.000 0.000 0.308 127 G HA3 0.688 4.647 3.960 -0.000 0.000 0.308 127 G C -1.981 172.640 174.900 -0.465 0.000 1.237 127 G CA -0.366 44.572 45.100 -0.270 0.000 0.968 127 G HN 0.396 nan 8.290 nan 0.000 0.481 128 L N 0.079 120.854 121.223 -0.747 0.000 2.362 128 L HA 0.605 4.945 4.340 -0.000 0.000 0.275 128 L C -1.051 175.368 176.870 -0.753 0.000 0.998 128 L CA -1.210 53.324 54.840 -0.509 0.000 0.820 128 L CB 1.344 43.208 42.059 -0.325 0.000 1.270 128 L HN 0.444 nan 8.230 nan 0.000 0.415 129 F N 2.855 122.791 119.950 -0.023 0.000 2.460 129 F HA 0.563 5.090 4.527 -0.000 0.000 0.341 129 F C 0.648 176.511 175.800 0.105 0.000 1.130 129 F CA -1.120 56.905 58.000 0.042 0.000 0.962 129 F CB 1.605 40.640 39.000 0.059 0.000 1.171 129 F HN 0.293 nan 8.300 nan 0.000 0.436 130 V N -0.838 119.257 119.914 0.302 0.000 3.641 130 V HA 0.434 4.554 4.120 -0.000 0.000 0.286 130 V C -0.482 175.767 176.094 0.257 0.000 1.027 130 V CA -0.448 62.029 62.300 0.295 0.000 1.032 130 V CB 1.031 33.078 31.823 0.372 0.000 1.238 130 V HN 0.625 nan 8.190 nan 0.000 0.439 131 D N -0.016 120.519 120.400 0.226 0.000 2.323 131 D HA 0.447 5.087 4.640 -0.000 0.000 0.242 131 D C -0.869 175.505 176.300 0.123 0.000 1.347 131 D CA -0.092 53.990 54.000 0.137 0.000 0.988 131 D CB 1.849 42.726 40.800 0.129 0.000 1.314 131 D HN 0.449 nan 8.370 nan 0.000 0.564 132 V N 1.922 121.872 119.914 0.060 0.000 2.904 132 V HA 0.427 4.547 4.120 -0.000 0.000 0.305 132 V C 0.222 176.259 176.094 -0.095 0.000 1.067 132 V CA -0.346 61.900 62.300 -0.089 0.000 1.044 132 V CB 1.610 33.365 31.823 -0.114 0.000 1.050 132 V HN 0.272 nan 8.190 nan 0.000 0.475 133 K N 2.110 122.412 120.400 -0.162 0.000 2.578 133 K HA 0.405 4.725 4.320 -0.000 0.000 0.250 133 K C -0.871 175.649 176.600 -0.133 0.000 0.955 133 K CA -0.588 55.630 56.287 -0.115 0.000 0.825 133 K CB 1.855 34.300 32.500 -0.091 0.000 1.151 133 K HN 0.585 nan 8.250 nan 0.000 0.432 134 K N 2.632 122.977 120.400 -0.091 0.000 2.322 134 K HA 0.368 4.688 4.320 -0.000 0.000 0.283 134 K C -0.776 175.798 176.600 -0.042 0.000 1.042 134 K CA -0.060 56.186 56.287 -0.068 0.000 0.958 134 K CB 0.595 33.069 32.500 -0.044 0.000 0.984 134 K HN 0.471 nan 8.250 nan 0.000 0.473 135 R N 1.676 122.156 120.500 -0.032 0.000 2.604 135 R HA 0.210 4.550 4.340 -0.000 0.000 0.261 135 R C -1.429 174.901 176.300 0.050 0.000 1.080 135 R CA -0.768 55.337 56.100 0.009 0.000 0.917 135 R CB 2.137 32.432 30.300 -0.007 0.000 1.252 135 R HN 0.660 nan 8.270 nan 0.000 0.456 136 T N 0.901 115.526 114.554 0.117 0.000 2.767 136 T HA 0.601 4.951 4.350 -0.000 0.000 0.288 136 T C -0.961 173.903 174.700 0.274 0.000 0.963 136 T CA -0.508 61.675 62.100 0.140 0.000 1.019 136 T CB 0.551 69.460 68.868 0.068 0.000 0.923 136 T HN 0.413 nan 8.240 nan 0.000 0.468 137 Y N 0.823 121.122 120.300 -0.002 0.000 2.215 137 Y HA 0.258 4.808 4.550 -0.000 0.000 0.314 137 Y C -0.331 175.571 175.900 0.004 0.000 1.246 137 Y CA -1.170 56.933 58.100 0.005 0.000 1.321 137 Y CB 0.939 39.406 38.460 0.013 0.000 1.293 137 Y HN 0.721 nan 8.280 nan 0.000 0.387 165 V N 2.284 122.222 119.914 0.040 0.000 3.205 165 V HA -0.165 3.954 4.120 -0.000 0.000 0.437 165 V C -0.652 175.890 176.094 0.746 0.000 0.680 165 V CA 0.282 62.769 62.300 0.311 0.000 1.948 165 V CB -1.324 30.651 31.823 0.253 0.000 2.424 165 V HN 0.439 nan 8.190 nan 0.000 0.489 166 F N 5.981 126.343 119.950 0.686 0.000 2.471 166 F HA 0.562 5.089 4.527 -0.000 0.000 0.353 166 F C 1.159 176.979 175.800 0.033 0.000 1.113 166 F CA -0.064 58.029 58.000 0.155 0.000 1.262 166 F CB 0.765 39.920 39.000 0.258 0.000 1.146 166 F HN 0.392 nan 8.300 nan 0.000 0.578 167 I N 4.017 124.134 120.570 -0.756 0.000 4.338 167 I HA 0.411 4.581 4.170 -0.000 0.000 0.329 167 I C 0.555 176.383 176.117 -0.482 0.000 1.378 167 I CA 0.375 61.454 61.300 -0.369 0.000 1.170 167 I CB -0.589 37.340 38.000 -0.118 0.000 1.206 167 I HN 0.718 nan 8.210 nan 0.000 0.432 168 G N 1.943 110.029 108.800 -1.191 0.000 2.339 168 G HA2 0.311 4.271 3.960 -0.000 0.000 0.302 168 G HA3 0.311 4.271 3.960 -0.000 0.000 0.302 168 G C -1.342 173.228 174.900 -0.550 0.000 1.425 168 G CA -1.031 43.697 45.100 -0.621 0.000 0.899 168 G HN 0.022 nan 8.290 nan 0.000 0.619 169 R N -0.353 120.056 120.500 -0.152 0.000 2.476 169 R HA 0.572 4.912 4.340 -0.000 0.000 0.305 169 R C -1.410 174.906 176.300 0.027 0.000 0.965 169 R CA -0.832 55.253 56.100 -0.026 0.000 0.867 169 R CB 2.375 32.718 30.300 0.072 0.000 1.176 169 R HN 0.429 nan 8.270 nan 0.000 0.447 170 L N 4.884 126.134 121.223 0.046 0.000 2.325 170 L HA 0.491 4.830 4.340 -0.000 0.000 0.281 170 L C -2.574 174.359 176.870 0.105 0.000 1.004 170 L CA -2.059 52.852 54.840 0.117 0.000 0.823 170 L CB 1.755 43.912 42.059 0.163 0.000 1.236 170 L HN 0.373 nan 8.230 nan 0.000 0.415 171 P HA 0.226 nan 4.420 nan 0.000 0.267 171 P C -0.799 176.611 177.300 0.183 0.000 1.205 171 P CA 0.342 63.480 63.100 0.063 0.000 0.765 171 P CB 0.550 32.161 31.700 -0.147 0.000 0.828 172 I N 2.993 123.720 120.570 0.262 0.000 2.530 172 I HA 0.373 4.543 4.170 -0.000 0.000 0.297 172 I C 0.460 176.589 176.117 0.020 0.000 1.011 172 I CA -1.263 60.137 61.300 0.167 0.000 1.107 172 I CB 1.768 39.819 38.000 0.085 0.000 1.285 172 I HN 0.271 nan 8.210 nan 0.000 0.436 173 M N 6.033 125.143 119.600 -0.817 0.000 2.200 173 M HA 0.254 4.734 4.480 -0.000 0.000 0.355 173 M C -1.071 174.860 176.300 -0.615 0.000 1.283 173 M CA -0.366 54.246 55.300 -1.147 0.000 1.124 173 M CB 0.638 32.378 32.600 -1.433 0.000 1.625 173 M HN 0.348 nan 8.290 nan 0.000 0.463 174 L N 5.843 126.670 121.223 -0.660 0.000 2.461 174 L HA 0.194 4.534 4.340 -0.000 0.000 0.272 174 L C 1.026 177.685 176.870 -0.352 0.000 1.197 174 L CA 0.961 55.508 54.840 -0.489 0.000 0.836 174 L CB 0.361 41.968 42.059 -0.753 0.000 1.105 174 L HN 0.857 nan 8.230 nan 0.000 0.477 175 R N -0.707 119.678 120.500 -0.192 0.000 4.000 175 R HA -0.191 4.149 4.340 -0.000 0.000 0.362 175 R C 0.313 176.579 176.300 -0.057 0.000 1.183 175 R CA 0.801 56.840 56.100 -0.103 0.000 1.011 175 R CB -2.367 27.880 30.300 -0.089 0.000 1.501 175 R HN 0.791 nan 8.270 nan 0.000 0.553 176 S N -0.247 115.428 115.700 -0.042 0.000 2.671 176 S HA 0.322 4.792 4.470 -0.000 0.000 0.272 176 S C 1.085 175.722 174.600 0.062 0.000 1.174 176 S CA -0.835 57.405 58.200 0.067 0.000 1.004 176 S CB 1.626 64.964 63.200 0.229 0.000 1.077 176 S HN 0.178 nan 8.310 nan 0.000 0.553 177 K N 0.061 120.511 120.400 0.083 0.000 2.167 177 K HA 0.054 4.373 4.320 -0.000 0.000 0.203 177 K C 1.399 178.000 176.600 0.003 0.000 1.052 177 K CA 0.845 57.152 56.287 0.034 0.000 0.956 177 K CB -0.380 32.136 32.500 0.027 0.000 0.735 177 K HN 0.495 nan 8.250 nan 0.000 0.451 178 N N 0.198 118.913 118.700 0.025 0.000 2.550 178 N HA -0.077 4.663 4.740 -0.000 0.000 0.186 178 N C 0.123 175.537 175.510 -0.160 0.000 1.110 178 N CA 0.310 53.328 53.050 -0.054 0.000 0.912 178 N CB 0.006 38.499 38.487 0.011 0.000 0.968 178 N HN 0.199 nan 8.380 nan 0.000 0.448 179 C N -0.899 118.343 119.300 -0.097 0.000 2.365 179 C HA 0.323 4.783 4.460 -0.000 0.000 0.349 179 C C 1.466 176.430 174.990 -0.044 0.000 1.191 179 C CA -0.900 58.075 59.018 -0.072 0.000 2.114 179 C CB -0.295 27.515 27.740 0.117 0.000 2.367 179 C HN 0.451 nan 8.230 nan 0.000 0.530 180 Y N 1.890 122.255 120.300 0.107 0.000 2.574 180 Y HA 0.049 4.599 4.550 -0.000 0.000 0.294 180 Y C 2.013 177.981 175.900 0.113 0.000 1.142 180 Y CA 0.925 59.087 58.100 0.103 0.000 1.314 180 Y CB -0.249 38.292 38.460 0.135 0.000 0.991 180 Y HN 0.595 nan 8.280 nan 0.000 0.555 181 L N -0.702 120.650 121.223 0.215 0.000 2.492 181 L HA -0.087 4.253 4.340 -0.000 0.000 0.223 181 L C 2.292 179.208 176.870 0.077 0.000 1.132 181 L CA 0.965 55.892 54.840 0.146 0.000 0.850 181 L CB -0.412 41.700 42.059 0.090 0.000 0.966 181 L HN 0.300 nan 8.230 nan 0.000 0.454 182 S N -0.257 115.480 115.700 0.063 0.000 2.395 182 S HA -0.129 4.341 4.470 -0.000 0.000 0.225 182 S C 1.549 176.174 174.600 0.041 0.000 1.027 182 S CA 0.672 58.892 58.200 0.033 0.000 0.965 182 S CB -0.127 63.086 63.200 0.021 0.000 0.812 182 S HN 0.425 nan 8.310 nan 0.000 0.482 183 E N 2.358 122.594 120.200 0.061 0.000 2.385 183 E HA 0.445 4.795 4.350 -0.000 0.000 0.194 183 E C 0.839 177.473 176.600 0.057 0.000 1.013 183 E CA 0.504 56.938 56.400 0.057 0.000 0.866 183 E CB -0.387 29.349 29.700 0.062 0.000 0.832 183 E HN 0.661 nan 8.360 nan 0.000 0.500 184 A N 1.679 124.540 122.820 0.068 0.000 2.483 184 A HA 0.312 4.631 4.320 -0.000 0.000 0.238 184 A C 0.866 178.466 177.584 0.027 0.000 1.070 184 A CA 0.104 52.175 52.037 0.056 0.000 0.770 184 A CB -0.016 19.022 19.000 0.064 0.000 1.008 184 A HN 0.249 nan 8.150 nan 0.000 0.497 185 T N -0.533 114.035 114.554 0.023 0.000 2.793 185 T HA 0.276 4.626 4.350 -0.000 0.000 0.299 185 T C 0.968 175.669 174.700 0.002 0.000 1.038 185 T CA 0.618 62.725 62.100 0.012 0.000 0.948 185 T CB 0.516 69.397 68.868 0.021 0.000 1.231 185 T HN 0.679 nan 8.240 nan 0.000 0.538 186 E N -0.148 120.058 120.200 0.010 0.000 2.028 186 E HA -0.054 4.296 4.350 -0.000 0.000 0.190 186 E C 2.458 179.128 176.600 0.117 0.000 0.984 186 E CA 0.977 57.389 56.400 0.020 0.000 0.800 186 E CB -0.317 29.414 29.700 0.052 0.000 0.758 186 E HN 0.627 nan 8.360 nan 0.000 0.448 187 S N 0.704 116.476 115.700 0.120 0.000 2.419 187 S HA -0.160 4.310 4.470 -0.000 0.000 0.235 187 S C 1.204 175.858 174.600 0.091 0.000 1.019 187 S CA 1.230 59.514 58.200 0.140 0.000 0.982 187 S CB -0.243 62.993 63.200 0.059 0.000 0.789 187 S HN 0.300 nan 8.310 nan 0.000 0.490 188 D N 1.008 121.433 120.400 0.042 0.000 2.224 188 D HA 0.038 4.678 4.640 -0.000 0.000 0.205 188 D C 1.827 178.124 176.300 -0.006 0.000 0.965 188 D CA 0.536 54.547 54.000 0.017 0.000 0.852 188 D CB -0.173 40.639 40.800 0.021 0.000 0.947 188 D HN 0.351 nan 8.370 nan 0.000 0.494 189 L N -0.338 120.870 121.223 -0.026 0.000 2.056 189 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 189 L C 2.382 179.190 176.870 -0.103 0.000 1.078 189 L CA 0.949 55.731 54.840 -0.096 0.000 0.749 189 L CB -0.516 41.429 42.059 -0.190 0.000 0.901 189 L HN 0.040 nan 8.230 nan 0.000 0.433 190 Y N 0.578 120.840 120.300 -0.062 0.000 2.097 190 Y HA -0.319 4.231 4.550 -0.000 0.000 0.282 190 Y C 2.710 178.566 175.900 -0.073 0.000 1.152 190 Y CA 1.453 59.513 58.100 -0.067 0.000 1.136 190 Y CB -0.230 38.190 38.460 -0.066 0.000 0.975 190 Y HN 0.038 nan 8.280 nan 0.000 0.498 191 K N 0.105 120.560 120.400 0.090 0.000 2.074 191 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 191 K C 1.608 178.171 176.600 -0.062 0.000 1.048 191 K CA 1.526 57.808 56.287 -0.009 0.000 0.926 191 K CB -0.456 32.017 32.500 -0.045 0.000 0.713 191 K HN 0.334 nan 8.250 nan 0.000 0.444 192 L N 0.511 121.683 121.223 -0.084 0.000 2.627 192 L HA 0.014 4.354 4.340 -0.000 0.000 0.233 192 L C 0.326 177.149 176.870 -0.078 0.000 1.144 192 L CA 0.343 55.101 54.840 -0.136 0.000 0.892 192 L CB -0.100 41.875 42.059 -0.140 0.000 1.039 192 L HN 0.189 nan 8.230 nan 0.000 0.442 193 K N -0.502 119.873 120.400 -0.042 0.000 3.446 193 K HA -0.163 4.157 4.320 -0.000 0.000 0.312 193 K C -0.044 176.529 176.600 -0.045 0.000 1.329 193 K CA 0.628 56.898 56.287 -0.029 0.000 0.935 193 K CB -0.698 31.783 32.500 -0.031 0.000 1.281 193 K HN 0.202 nan 8.250 nan 0.000 0.457 194 E N 0.963 121.121 120.200 -0.070 0.000 2.134 194 E HA 0.098 4.448 4.350 -0.000 0.000 0.278 194 E C -0.327 176.185 176.600 -0.147 0.000 0.959 194 E CA -0.359 55.998 56.400 -0.072 0.000 0.783 194 E CB 1.369 31.046 29.700 -0.038 0.000 1.095 194 E HN 0.273 nan 8.360 nan 0.000 0.399 195 C N 6.427 125.661 119.300 -0.111 0.000 2.634 195 C HA 0.072 4.532 4.460 -0.000 0.000 0.418 195 C C -0.928 173.927 174.990 -0.226 0.000 1.373 195 C CA -1.352 57.569 59.018 -0.162 0.000 1.756 195 C CB -0.172 27.555 27.740 -0.020 0.000 2.589 195 C HN 0.579 nan 8.230 nan 0.000 0.602 196 P HA -0.134 nan 4.420 nan 0.000 0.218 196 P C 0.981 178.116 177.300 -0.275 0.000 1.146 196 P CA 1.873 64.715 63.100 -0.430 0.000 0.820 196 P CB -0.118 31.185 31.700 -0.662 0.000 0.778 197 F N -1.045 118.835 119.950 -0.116 0.000 2.710 197 F HA 0.045 4.572 4.527 -0.000 0.000 0.298 197 F C 1.300 177.158 175.800 0.098 0.000 1.137 197 F CA -0.130 57.836 58.000 -0.057 0.000 1.444 197 F CB -0.412 38.457 39.000 -0.217 0.000 1.111 197 F HN -0.111 nan 8.300 nan 0.000 0.580 198 D N 0.032 120.552 120.400 0.200 0.000 2.361 198 D HA 0.027 4.667 4.640 -0.000 0.000 0.239 198 D C 1.066 177.482 176.300 0.193 0.000 1.200 198 D CA 0.234 54.377 54.000 0.238 0.000 0.915 198 D CB 0.658 41.558 40.800 0.167 0.000 1.170 198 D HN -0.022 nan 8.370 nan 0.000 0.444 199 M N 0.084 119.799 119.600 0.191 0.000 2.249 199 M HA 0.372 4.852 4.480 -0.000 0.000 0.318 199 M C 0.668 177.004 176.300 0.061 0.000 0.930 199 M CA 0.291 55.662 55.300 0.120 0.000 1.080 199 M CB -0.440 32.224 32.600 0.107 0.000 1.797 199 M HN 0.457 nan 8.290 nan 0.000 0.619 200 G N 0.549 109.410 108.800 0.101 0.000 2.685 200 G HA2 0.321 4.280 3.960 -0.000 0.000 0.387 200 G HA3 0.321 4.280 3.960 -0.000 0.000 0.387 200 G C 0.406 175.239 174.900 -0.111 0.000 1.324 200 G CA 0.251 45.245 45.100 -0.176 0.000 0.878 200 G HN 1.562 nan 8.290 nan 0.000 0.527 201 G N -2.038 106.547 108.800 -0.359 0.000 2.131 201 G HA2 0.275 4.235 3.960 -0.000 0.000 0.223 201 G HA3 0.275 4.235 3.960 -0.000 0.000 0.223 201 G C 0.240 174.993 174.900 -0.244 0.000 0.990 201 G CA 1.437 46.380 45.100 -0.261 0.000 0.671 201 G HN 2.357 nan 8.290 nan 0.000 0.521 202 Y N -1.969 118.094 120.300 -0.394 0.000 2.693 202 Y HA 0.854 5.404 4.550 -0.000 0.000 0.331 202 Y C -0.142 175.390 175.900 -0.613 0.000 1.092 202 Y CA -2.641 55.208 58.100 -0.418 0.000 1.131 202 Y CB 0.954 39.277 38.460 -0.229 0.000 1.318 202 Y HN -0.026 nan 8.280 nan 0.000 0.510 203 F N 1.435 121.409 119.950 0.041 0.000 2.458 203 F HA 0.559 5.086 4.527 -0.000 0.000 0.330 203 F C -0.238 175.601 175.800 0.065 0.000 1.082 203 F CA -1.076 56.913 58.000 -0.019 0.000 0.995 203 F CB 1.655 40.647 39.000 -0.012 0.000 1.170 203 F HN 0.198 nan 8.300 nan 0.000 0.478 204 I N 4.617 125.316 120.570 0.214 0.000 2.330 204 I HA 0.353 4.523 4.170 -0.000 0.000 0.289 204 I C -0.791 175.419 176.117 0.156 0.000 1.001 204 I CA -0.355 61.034 61.300 0.149 0.000 1.193 204 I CB 1.216 39.260 38.000 0.073 0.000 1.345 204 I HN 0.444 nan 8.210 nan 0.000 0.461 205 I N 6.971 127.611 120.570 0.117 0.000 2.439 205 I HA 0.333 4.503 4.170 -0.000 0.000 0.283 205 I C -0.098 176.058 176.117 0.064 0.000 1.023 205 I CA -0.024 61.328 61.300 0.087 0.000 1.100 205 I CB 0.883 38.920 38.000 0.061 0.000 1.238 205 I HN 0.466 nan 8.210 nan 0.000 0.445 206 N N 5.271 124.015 118.700 0.074 0.000 2.783 206 N HA -0.182 4.558 4.740 -0.000 0.000 0.247 206 N C 0.881 176.414 175.510 0.039 0.000 1.089 206 N CA 1.205 54.298 53.050 0.072 0.000 0.690 206 N CB -1.115 37.414 38.487 0.070 0.000 0.991 206 N HN 1.149 nan 8.380 nan 0.000 0.552 207 G N -1.570 107.255 108.800 0.041 0.000 2.268 207 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.240 207 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.240 207 G C 0.081 174.974 174.900 -0.011 0.000 1.010 207 G CA 0.582 45.683 45.100 0.001 0.000 0.618 207 G HN 0.832 nan 8.290 nan 0.000 0.516 208 S N 1.129 116.827 115.700 -0.002 0.000 2.513 208 S HA 0.496 4.966 4.470 -0.000 0.000 0.276 208 S C 0.266 174.872 174.600 0.010 0.000 1.254 208 S CA -0.265 57.925 58.200 -0.018 0.000 1.053 208 S CB 0.752 63.941 63.200 -0.018 0.000 0.958 208 S HN 0.359 nan 8.310 nan 0.000 0.491 209 E N 3.794 123.978 120.200 -0.026 0.000 2.328 209 E HA 0.110 4.460 4.350 -0.000 0.000 0.265 209 E C -0.338 176.250 176.600 -0.020 0.000 1.057 209 E CA 0.127 56.518 56.400 -0.015 0.000 0.916 209 E CB 0.444 30.026 29.700 -0.196 0.000 0.993 209 E HN 0.329 nan 8.360 nan 0.000 0.446 210 K N 2.278 122.730 120.400 0.087 0.000 2.270 210 K HA 0.447 4.767 4.320 -0.000 0.000 0.255 210 K C -0.964 175.699 176.600 0.104 0.000 0.936 210 K CA -0.834 55.499 56.287 0.076 0.000 0.809 210 K CB 2.436 35.000 32.500 0.106 0.000 1.131 210 K HN 0.262 nan 8.250 nan 0.000 0.427 211 V N 4.506 124.408 119.914 -0.020 0.000 2.604 211 V HA 0.472 4.592 4.120 -0.000 0.000 0.305 211 V C -0.994 175.061 176.094 -0.064 0.000 1.043 211 V CA -0.981 61.267 62.300 -0.086 0.000 0.888 211 V CB 1.457 33.076 31.823 -0.339 0.000 0.995 211 V HN 0.614 nan 8.190 nan 0.000 0.429 212 L N 6.790 128.000 121.223 -0.022 0.000 2.289 212 L HA 0.542 4.882 4.340 -0.000 0.000 0.285 212 L C -0.590 176.216 176.870 -0.107 0.000 1.049 212 L CA -0.471 54.329 54.840 -0.067 0.000 0.804 212 L CB 1.563 43.589 42.059 -0.055 0.000 1.195 212 L HN 0.494 nan 8.230 nan 0.000 0.428 213 I N 2.535 123.039 120.570 -0.110 0.000 2.385 213 I HA 0.335 4.505 4.170 -0.000 0.000 0.294 213 I C 0.615 176.671 176.117 -0.102 0.000 0.988 213 I CA 0.062 61.312 61.300 -0.082 0.000 1.265 213 I CB 1.738 39.715 38.000 -0.039 0.000 1.388 213 I HN 0.636 nan 8.210 nan 0.000 0.480 214 A N 6.803 129.577 122.820 -0.078 0.000 2.546 214 A HA 0.259 4.579 4.320 -0.000 0.000 0.243 214 A C -0.119 177.419 177.584 -0.076 0.000 1.063 214 A CA -0.220 51.768 52.037 -0.081 0.000 0.757 214 A CB -0.069 18.902 19.000 -0.048 0.000 0.991 214 A HN 0.623 nan 8.150 nan 0.000 0.503 215 Q N 1.567 121.307 119.800 -0.100 0.000 2.271 215 Q HA 0.262 4.602 4.340 -0.000 0.000 0.258 215 Q C -0.414 175.550 176.000 -0.059 0.000 0.936 215 Q CA -0.338 55.418 55.803 -0.078 0.000 0.909 215 Q CB 1.860 30.534 28.738 -0.106 0.000 1.253 215 Q HN 0.857 nan 8.270 nan 0.000 0.440 216 E N 3.334 123.514 120.200 -0.034 0.000 2.223 216 E HA 0.171 4.521 4.350 -0.000 0.000 0.282 216 E C -0.410 176.165 176.600 -0.042 0.000 1.046 216 E CA -0.170 56.207 56.400 -0.039 0.000 0.857 216 E CB 0.629 30.335 29.700 0.011 0.000 1.055 216 E HN 0.493 nan 8.360 nan 0.000 0.409 217 R N 1.593 122.056 120.500 -0.063 0.000 2.987 217 R HA 0.568 4.908 4.340 -0.000 0.000 0.248 217 R C -0.592 175.674 176.300 -0.057 0.000 1.264 217 R CA -0.954 55.118 56.100 -0.046 0.000 1.026 217 R CB 0.834 31.111 30.300 -0.039 0.000 1.286 217 R HN 0.281 nan 8.270 nan 0.000 0.483 218 S N -0.249 115.429 115.700 -0.036 0.000 2.645 218 S HA 0.530 5.000 4.470 -0.000 0.000 0.266 218 S C 0.030 174.602 174.600 -0.047 0.000 1.258 218 S CA -0.444 57.732 58.200 -0.040 0.000 0.990 218 S CB 1.340 64.537 63.200 -0.005 0.000 0.967 218 S HN 0.680 nan 8.310 nan 0.000 0.556 219 A N 0.489 123.275 122.820 -0.058 0.000 2.272 219 A HA 0.728 5.048 4.320 -0.000 0.000 0.275 219 A C 0.598 178.165 177.584 -0.027 0.000 1.096 219 A CA -0.153 51.852 52.037 -0.053 0.000 0.822 219 A CB -0.145 18.802 19.000 -0.088 0.000 1.088 219 A HN 0.876 nan 8.150 nan 0.000 0.495 220 G N -1.289 107.500 108.800 -0.018 0.000 2.601 220 G HA2 0.472 4.432 3.960 -0.000 0.000 0.317 220 G HA3 0.472 4.432 3.960 -0.000 0.000 0.317 220 G C -0.109 174.774 174.900 -0.029 0.000 1.246 220 G CA -0.201 44.887 45.100 -0.020 0.000 1.012 220 G HN 0.962 nan 8.290 nan 0.000 0.494 221 N N -2.042 116.601 118.700 -0.094 0.000 2.901 221 N HA -0.143 4.597 4.740 -0.000 0.000 0.248 221 N C -0.357 175.117 175.510 -0.060 0.000 1.044 221 N CA 0.704 53.621 53.050 -0.222 0.000 0.847 221 N CB -0.898 37.509 38.487 -0.132 0.000 1.127 221 N HN 0.307 nan 8.380 nan 0.000 0.562 222 I N 0.993 121.557 120.570 -0.009 0.000 2.441 222 I HA 0.355 4.525 4.170 -0.000 0.000 0.295 222 I C 0.656 176.794 176.117 0.036 0.000 0.994 222 I CA -0.956 60.368 61.300 0.041 0.000 1.144 222 I CB 1.931 39.935 38.000 0.007 0.000 1.314 222 I HN -0.273 nan 8.210 nan 0.000 0.445 223 V N 6.553 126.500 119.914 0.055 0.000 2.461 223 V HA 0.340 4.460 4.120 -0.000 0.000 0.275 223 V C -0.010 175.998 176.094 -0.143 0.000 1.047 223 V CA -0.493 61.794 62.300 -0.021 0.000 0.955 223 V CB 0.973 32.774 31.823 -0.036 0.000 0.988 223 V HN 0.703 nan 8.190 nan 0.000 0.471 224 Q N 3.068 122.709 119.800 -0.265 0.000 2.304 224 Q HA 0.613 4.952 4.340 -0.000 0.000 0.270 224 Q C -1.322 174.206 176.000 -0.788 0.000 1.035 224 Q CA -0.495 54.998 55.803 -0.516 0.000 0.781 224 Q CB 2.807 31.203 28.738 -0.570 0.000 1.261 224 Q HN 0.606 nan 8.270 nan 0.000 0.444 225 V N 3.213 122.679 119.914 -0.747 0.000 2.612 225 V HA 0.602 4.722 4.120 -0.000 0.000 0.301 225 V C -0.732 174.960 176.094 -0.669 0.000 1.046 225 V CA -0.384 61.520 62.300 -0.660 0.000 0.946 225 V CB 1.071 32.729 31.823 -0.275 0.000 1.003 225 V HN 0.633 nan 8.190 nan 0.000 0.459 226 F N 2.098 122.067 119.950 0.032 0.000 2.588 226 F HA 0.468 4.995 4.527 -0.000 0.000 0.318 226 F C 0.336 176.106 175.800 -0.050 0.000 1.155 226 F CA -1.151 56.849 58.000 -0.000 0.000 0.967 226 F CB 1.942 40.929 39.000 -0.021 0.000 1.236 226 F HN 0.353 nan 8.300 nan 0.000 0.455 227 K N 2.205 122.674 120.400 0.114 0.000 2.132 227 K HA 0.458 4.778 4.320 -0.000 0.000 0.240 227 K C -0.704 175.842 176.600 -0.090 0.000 1.036 227 K CA -0.807 55.380 56.287 -0.167 0.000 0.888 227 K CB 0.881 33.238 32.500 -0.238 0.000 1.071 227 K HN 0.532 nan 8.250 nan 0.000 0.502 228 K N 0.136 120.437 120.400 -0.164 0.000 2.427 228 K HA 0.339 4.659 4.320 -0.000 0.000 0.252 228 K C -1.192 175.350 176.600 -0.097 0.000 0.931 228 K CA -0.636 55.593 56.287 -0.097 0.000 0.793 228 K CB 2.176 34.625 32.500 -0.085 0.000 1.211 228 K HN 0.727 nan 8.250 nan 0.000 0.426 229 A N 2.375 125.155 122.820 -0.066 0.000 2.450 229 A HA 0.433 4.753 4.320 -0.000 0.000 0.255 229 A C 1.254 178.815 177.584 -0.039 0.000 1.096 229 A CA 0.843 52.850 52.037 -0.050 0.000 0.778 229 A CB 0.116 19.091 19.000 -0.041 0.000 1.031 229 A HN 1.008 nan 8.150 nan 0.000 0.494 230 A N 3.884 126.685 122.820 -0.031 0.000 1.724 230 A HA -0.308 4.012 4.320 -0.000 0.000 0.348 230 A C 0.423 178.002 177.584 -0.009 0.000 4.921 230 A CA 2.432 54.460 52.037 -0.016 0.000 1.023 230 A CB -2.720 16.273 19.000 -0.011 0.000 0.540 230 A HN 0.879 nan 8.150 nan 0.000 0.472 231 P HA 0.015 nan 4.420 nan 0.000 0.229 231 P C 0.558 177.859 177.300 0.001 0.000 1.150 231 P CA 1.327 64.427 63.100 0.000 0.000 0.765 231 P CB -0.432 31.268 31.700 -0.000 0.000 0.783 232 S N 1.226 116.920 115.700 -0.010 0.000 2.565 232 S HA 0.302 4.772 4.470 -0.000 0.000 0.274 232 S C -1.429 173.165 174.600 -0.010 0.000 1.309 232 S CA -1.535 56.655 58.200 -0.017 0.000 1.043 232 S CB 0.882 64.060 63.200 -0.037 0.000 0.939 232 S HN -0.056 nan 8.310 nan 0.000 0.504 233 P HA 0.217 nan 4.420 nan 0.000 0.235 233 P C -0.068 177.212 177.300 -0.034 0.000 1.177 233 P CA 0.359 63.474 63.100 0.026 0.000 0.785 233 P CB 0.015 31.772 31.700 0.095 0.000 0.885 234 I N 0.306 120.791 120.570 -0.142 0.000 2.499 234 I HA 0.090 4.260 4.170 -0.000 0.000 0.296 234 I C 1.566 177.625 176.117 -0.096 0.000 0.992 234 I CA -0.016 61.155 61.300 -0.216 0.000 1.297 234 I CB 1.450 39.251 38.000 -0.333 0.000 1.410 234 I HN -0.149 nan 8.210 nan 0.000 0.507 235 S N 2.780 118.459 115.700 -0.035 0.000 2.524 235 S HA 0.307 4.777 4.470 -0.000 0.000 0.222 235 S C 0.363 174.841 174.600 -0.203 0.000 1.040 235 S CA -0.043 58.130 58.200 -0.045 0.000 0.915 235 S CB 0.151 63.428 63.200 0.129 0.000 0.831 235 S HN 0.660 nan 8.310 nan 0.000 0.492 236 H N -0.700 118.357 119.070 -0.021 0.000 3.014 236 H HA 0.657 5.213 4.556 -0.000 0.000 0.337 236 H C -1.828 173.493 175.328 -0.011 0.000 1.320 236 H CA -0.851 55.198 56.048 0.002 0.000 1.128 236 H CB 2.004 31.763 29.762 -0.005 0.000 1.862 236 H HN 0.065 nan 8.280 nan 0.000 0.536 237 V N 0.271 120.257 119.914 0.120 0.000 2.971 237 V HA 0.695 4.815 4.120 -0.000 0.000 0.309 237 V C -0.616 175.478 176.094 0.000 0.000 1.130 237 V CA -0.850 61.488 62.300 0.063 0.000 0.964 237 V CB 1.888 33.758 31.823 0.079 0.000 1.029 237 V HN 0.948 nan 8.190 nan 0.000 0.427 238 A N 2.500 125.309 122.820 -0.019 0.000 2.401 238 A HA 0.969 5.289 4.320 -0.000 0.000 0.310 238 A C -0.812 176.738 177.584 -0.057 0.000 1.075 238 A CA -0.534 51.439 52.037 -0.107 0.000 0.746 238 A CB 1.874 20.819 19.000 -0.091 0.000 1.277 238 A HN 1.035 nan 8.150 nan 0.000 0.425 239 E N 1.002 121.149 120.200 -0.088 0.000 2.343 239 E HA 0.709 5.059 4.350 -0.000 0.000 0.278 239 E C -1.851 174.749 176.600 0.001 0.000 0.910 239 E CA -0.533 55.866 56.400 -0.002 0.000 0.757 239 E CB 1.759 31.484 29.700 0.041 0.000 1.218 239 E HN 0.829 nan 8.360 nan 0.000 0.435 240 I N 1.907 122.504 120.570 0.044 0.000 2.894 240 I HA 0.521 4.690 4.170 -0.000 0.000 0.302 240 I C -1.456 174.671 176.117 0.017 0.000 1.188 240 I CA -0.788 60.531 61.300 0.032 0.000 1.014 240 I CB 1.955 39.999 38.000 0.074 0.000 1.242 240 I HN 0.605 nan 8.210 nan 0.000 0.430 241 R N 4.135 124.627 120.500 -0.013 0.000 2.332 241 R HA 0.381 4.721 4.340 -0.000 0.000 0.306 241 R C -0.850 175.421 176.300 -0.047 0.000 1.117 241 R CA -0.390 55.702 56.100 -0.013 0.000 1.108 241 R CB 1.466 31.769 30.300 0.004 0.000 1.126 241 R HN 0.551 nan 8.270 nan 0.000 0.548 242 S N 1.414 117.093 115.700 -0.036 0.000 2.545 242 S HA 0.730 5.200 4.470 -0.000 0.000 0.275 242 S C -0.547 174.070 174.600 0.028 0.000 1.299 242 S CA -0.210 57.960 58.200 -0.050 0.000 1.048 242 S CB 1.082 64.293 63.200 0.019 0.000 0.938 242 S HN 0.680 nan 8.310 nan 0.000 0.496 243 A N 3.730 126.579 122.820 0.049 0.000 2.581 243 A HA 0.769 5.089 4.320 -0.000 0.000 0.290 243 A C -1.957 175.683 177.584 0.094 0.000 1.119 243 A CA -0.744 51.340 52.037 0.079 0.000 0.670 243 A CB 0.868 19.899 19.000 0.052 0.000 1.280 243 A HN 0.695 nan 8.150 nan 0.000 0.425 244 L N 0.467 121.741 121.223 0.085 0.000 2.365 244 L HA 0.491 4.831 4.340 -0.000 0.000 0.273 244 L C 0.907 177.809 176.870 0.053 0.000 1.000 244 L CA -0.517 54.363 54.840 0.066 0.000 0.819 244 L CB 2.008 44.097 42.059 0.051 0.000 1.284 244 L HN 1.004 nan 8.230 nan 0.000 0.418 245 E N 1.330 121.556 120.200 0.043 0.000 2.033 245 E HA -0.020 4.330 4.350 -0.000 0.000 0.189 245 E C -0.161 176.449 176.600 0.016 0.000 0.979 245 E CA 0.980 57.398 56.400 0.031 0.000 0.802 245 E CB 0.246 29.962 29.700 0.026 0.000 0.763 245 E HN 0.450 nan 8.360 nan 0.000 0.449 246 K N 0.067 120.470 120.400 0.005 0.000 2.156 246 K HA 0.425 4.745 4.320 -0.000 0.000 0.271 246 K C 0.164 176.746 176.600 -0.031 0.000 0.995 246 K CA 0.136 56.415 56.287 -0.013 0.000 0.890 246 K CB 1.868 34.356 32.500 -0.020 0.000 1.073 246 K HN 0.247 nan 8.250 nan 0.000 0.454 247 G N 1.493 110.264 108.800 -0.048 0.000 2.952 247 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.226 247 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.226 247 G C -0.387 174.455 174.900 -0.096 0.000 1.462 247 G CA -0.111 44.938 45.100 -0.086 0.000 1.157 247 G HN 0.607 nan 8.290 nan 0.000 0.544 248 S N -0.626 115.006 115.700 -0.113 0.000 2.894 248 S HA 0.781 5.251 4.470 -0.000 0.000 0.298 248 S C 0.281 174.919 174.600 0.063 0.000 1.054 248 S CA -0.305 57.847 58.200 -0.081 0.000 0.903 248 S CB 1.838 64.850 63.200 -0.312 0.000 1.356 248 S HN 0.753 nan 8.310 nan 0.000 0.626 249 R N 0.347 120.946 120.500 0.165 0.000 2.989 249 R HA 0.337 4.677 4.340 -0.000 0.000 0.340 249 R C -1.390 175.084 176.300 0.290 0.000 1.205 249 R CA -0.398 55.812 56.100 0.184 0.000 1.235 249 R CB -0.433 29.948 30.300 0.136 0.000 1.394 249 R HN 0.401 nan 8.270 nan 0.000 0.598 250 F N 1.577 121.552 119.950 0.043 0.000 2.571 250 F HA 0.062 4.588 4.527 -0.000 0.000 0.384 250 F C 1.107 176.927 175.800 0.033 0.000 1.058 250 F CA -0.279 57.745 58.000 0.041 0.000 1.200 250 F CB 0.546 39.573 39.000 0.045 0.000 1.077 250 F HN 0.139 nan 8.300 nan 0.000 0.558 251 I N 4.181 124.818 120.570 0.113 0.000 2.661 251 I HA 0.068 4.238 4.170 -0.000 0.000 0.292 251 I C -0.050 176.074 176.117 0.011 0.000 1.189 251 I CA -0.141 61.188 61.300 0.048 0.000 1.123 251 I CB -0.482 37.530 38.000 0.021 0.000 1.709 251 I HN 0.363 nan 8.210 nan 0.000 0.566 252 S N 2.593 118.316 115.700 0.038 0.000 2.537 252 S HA 0.174 4.644 4.470 -0.000 0.000 0.286 252 S C 0.576 175.190 174.600 0.022 0.000 1.299 252 S CA -0.159 58.053 58.200 0.020 0.000 1.067 252 S CB 0.465 63.695 63.200 0.051 0.000 0.864 252 S HN 0.453 nan 8.310 nan 0.000 0.494 253 T N 3.999 118.563 114.554 0.017 0.000 2.756 253 T HA 0.363 4.713 4.350 -0.000 0.000 0.290 253 T C -0.363 174.373 174.700 0.060 0.000 0.985 253 T CA -0.533 61.588 62.100 0.035 0.000 0.955 253 T CB 0.556 69.441 68.868 0.028 0.000 0.930 253 T HN 0.453 nan 8.240 nan 0.000 0.451 254 L N 4.673 125.943 121.223 0.079 0.000 2.292 254 L HA 0.480 4.819 4.340 -0.000 0.000 0.284 254 L C -0.308 176.624 176.870 0.103 0.000 1.065 254 L CA 0.145 55.056 54.840 0.118 0.000 0.806 254 L CB 0.787 42.926 42.059 0.135 0.000 1.175 254 L HN 0.616 nan 8.230 nan 0.000 0.431 255 Q N 3.486 123.349 119.800 0.105 0.000 2.387 255 Q HA 0.678 5.018 4.340 -0.000 0.000 0.273 255 Q C -1.467 174.598 176.000 0.109 0.000 1.089 255 Q CA -1.015 54.844 55.803 0.094 0.000 0.824 255 Q CB 2.881 31.668 28.738 0.081 0.000 1.367 255 Q HN 0.465 nan 8.270 nan 0.000 0.443 256 V N 2.240 122.209 119.914 0.093 0.000 2.349 256 V HA 0.343 4.463 4.120 -0.000 0.000 0.284 256 V C -0.816 175.326 176.094 0.080 0.000 1.014 256 V CA -0.704 61.657 62.300 0.101 0.000 0.826 256 V CB 1.174 33.057 31.823 0.100 0.000 1.009 256 V HN 0.602 nan 8.190 nan 0.000 0.431 257 K N 4.229 124.687 120.400 0.097 0.000 2.235 257 K HA 0.585 4.905 4.320 -0.000 0.000 0.266 257 K C -0.865 175.785 176.600 0.083 0.000 0.980 257 K CA -0.827 55.486 56.287 0.044 0.000 0.849 257 K CB 2.324 34.795 32.500 -0.048 0.000 1.098 257 K HN 0.450 nan 8.250 nan 0.000 0.445 258 L N 4.580 125.840 121.223 0.063 0.000 2.295 258 L HA 0.256 4.596 4.340 -0.000 0.000 0.288 258 L C -1.221 175.688 176.870 0.064 0.000 1.079 258 L CA -0.070 54.829 54.840 0.097 0.000 0.830 258 L CB -0.292 41.826 42.059 0.097 0.000 1.200 258 L HN 0.430 nan 8.230 nan 0.000 0.438 259 Y N 3.917 124.261 120.300 0.074 0.000 2.336 259 Y HA 0.567 5.117 4.550 -0.000 0.000 0.331 259 Y C 1.151 177.088 175.900 0.061 0.000 1.211 259 Y CA 0.632 58.770 58.100 0.064 0.000 1.346 259 Y CB 1.137 39.631 38.460 0.056 0.000 1.271 259 Y HN 0.849 nan 8.280 nan 0.000 0.538 260 G N 2.558 111.477 108.800 0.199 0.000 2.721 260 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.686 260 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.686 260 G C -0.957 174.001 174.900 0.098 0.000 1.236 260 G CA -1.045 44.135 45.100 0.133 0.000 0.786 260 G HN 0.713 nan 8.290 nan 0.000 0.616 261 R N 0.854 121.399 120.500 0.074 0.000 2.691 261 R HA 0.540 4.880 4.340 -0.000 0.000 0.259 261 R C 0.092 176.430 176.300 0.064 0.000 1.048 261 R CA -0.915 55.225 56.100 0.066 0.000 1.086 261 R CB 1.158 31.483 30.300 0.041 0.000 1.166 261 R HN 0.655 nan 8.270 nan 0.000 0.526 262 E N 1.109 121.349 120.200 0.066 0.000 2.729 262 E HA -0.021 4.329 4.350 -0.000 0.000 0.246 262 E C 0.301 176.928 176.600 0.046 0.000 0.984 262 E CA 0.716 57.152 56.400 0.059 0.000 0.951 262 E CB -0.075 29.660 29.700 0.059 0.000 0.914 262 E HN 0.809 nan 8.360 nan 0.000 0.509 263 G N 3.634 112.459 108.800 0.043 0.000 2.144 263 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.251 263 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.251 263 G C 0.307 175.232 174.900 0.042 0.000 0.780 263 G CA 0.474 45.598 45.100 0.040 0.000 1.183 263 G HN 0.425 nan 8.290 nan 0.000 0.345 264 S N -0.124 115.606 115.700 0.050 0.000 2.562 264 S HA 0.663 5.133 4.470 -0.000 0.000 0.256 264 S C 1.302 175.928 174.600 0.044 0.000 1.248 264 S CA 0.251 58.482 58.200 0.051 0.000 0.988 264 S CB 0.392 63.633 63.200 0.068 0.000 1.035 264 S HN 1.689 nan 8.310 nan 0.000 0.548 265 S N 0.354 116.080 115.700 0.042 0.000 2.480 265 S HA 0.636 5.106 4.470 -0.000 0.000 0.286 265 S C -0.145 174.479 174.600 0.039 0.000 1.180 265 S CA -0.135 58.087 58.200 0.036 0.000 1.075 265 S CB 0.770 63.987 63.200 0.028 0.000 0.996 265 S HN 1.651 nan 8.310 nan 0.000 0.487 266 A N 3.334 126.175 122.820 0.035 0.000 1.759 266 A HA -0.158 4.161 4.320 -0.000 0.000 0.234 266 A C 0.452 178.069 177.584 0.055 0.000 1.288 266 A CA 0.371 52.430 52.037 0.037 0.000 0.717 266 A CB -1.360 17.655 19.000 0.026 0.000 1.193 266 A HN 0.859 nan 8.150 nan 0.000 0.250 267 R N 1.320 121.856 120.500 0.060 0.000 2.351 267 R HA 0.314 4.654 4.340 -0.000 0.000 0.318 267 R C 0.584 176.941 176.300 0.095 0.000 1.055 267 R CA 0.639 56.790 56.100 0.085 0.000 0.968 267 R CB 0.661 31.007 30.300 0.076 0.000 0.974 267 R HN 0.716 nan 8.270 nan 0.000 0.439 268 T N 2.756 117.388 114.554 0.130 0.000 2.938 268 T HA 0.664 5.014 4.350 -0.000 0.000 0.285 268 T C -0.087 174.709 174.700 0.160 0.000 1.028 268 T CA -0.662 61.502 62.100 0.107 0.000 1.005 268 T CB 0.905 69.809 68.868 0.059 0.000 1.157 268 T HN 0.388 nan 8.240 nan 0.000 0.550 269 I N 1.921 122.574 120.570 0.139 0.000 2.608 269 I HA 0.555 4.725 4.170 -0.000 0.000 0.295 269 I C -0.267 175.953 176.117 0.172 0.000 1.049 269 I CA -0.952 60.454 61.300 0.176 0.000 1.063 269 I CB 2.170 40.247 38.000 0.129 0.000 1.248 269 I HN 0.530 nan 8.210 nan 0.000 0.424 270 K N 3.388 123.918 120.400 0.217 0.000 2.495 270 K HA 0.895 5.215 4.320 -0.000 0.000 0.268 270 K C -1.383 175.327 176.600 0.183 0.000 1.008 270 K CA -0.905 55.490 56.287 0.181 0.000 0.882 270 K CB 2.870 35.495 32.500 0.209 0.000 1.443 270 K HN 0.674 nan 8.250 nan 0.000 0.447 271 A N 0.510 123.418 122.820 0.148 0.000 2.454 271 A HA 0.622 4.942 4.320 -0.000 0.000 0.302 271 A C -1.072 176.589 177.584 0.128 0.000 1.079 271 A CA -0.575 51.547 52.037 0.142 0.000 0.731 271 A CB 1.864 20.946 19.000 0.136 0.000 1.299 271 A HN 0.457 nan 8.150 nan 0.000 0.413 272 T N 2.490 117.120 114.554 0.127 0.000 2.753 272 T HA 0.517 4.867 4.350 -0.000 0.000 0.297 272 T C -0.153 174.610 174.700 0.105 0.000 0.981 272 T CA 0.101 62.265 62.100 0.106 0.000 0.956 272 T CB -0.387 68.540 68.868 0.098 0.000 0.936 272 T HN 0.426 nan 8.240 nan 0.000 0.463 273 L N 5.877 127.150 121.223 0.083 0.000 2.399 273 L HA 0.521 4.861 4.340 -0.000 0.000 0.265 273 L C -1.795 175.097 176.870 0.037 0.000 1.089 273 L CA -2.498 52.387 54.840 0.075 0.000 0.802 273 L CB 0.633 42.713 42.059 0.035 0.000 1.180 273 L HN 0.356 nan 8.230 nan 0.000 0.454 274 P HA 0.082 nan 4.420 nan 0.000 0.276 274 P C -0.799 176.482 177.300 -0.031 0.000 1.235 274 P CA 0.237 63.237 63.100 -0.167 0.000 0.772 274 P CB 0.435 31.962 31.700 -0.288 0.000 0.871 275 Y N -0.157 120.195 120.300 0.086 0.000 4.950 275 Y HA -0.176 4.374 4.550 -0.000 0.000 0.263 275 Y C 0.224 176.202 175.900 0.130 0.000 0.909 275 Y CA -0.252 57.920 58.100 0.120 0.000 1.862 275 Y CB -1.548 37.019 38.460 0.178 0.000 1.328 275 Y HN 0.241 nan 8.280 nan 0.000 0.547 276 I N 0.391 121.072 120.570 0.184 0.000 2.465 276 I HA 0.306 4.476 4.170 -0.000 0.000 0.291 276 I C 0.628 176.806 176.117 0.102 0.000 1.014 276 I CA -1.296 60.099 61.300 0.158 0.000 1.093 276 I CB 1.797 39.877 38.000 0.133 0.000 1.267 276 I HN -0.078 nan 8.210 nan 0.000 0.431 277 K N 3.047 123.495 120.400 0.081 0.000 2.373 277 K HA 0.270 4.590 4.320 -0.000 0.000 0.202 277 K C 0.145 176.775 176.600 0.049 0.000 1.025 277 K CA 0.159 56.484 56.287 0.063 0.000 1.115 277 K CB 0.393 32.924 32.500 0.052 0.000 0.858 277 K HN 0.561 nan 8.250 nan 0.000 0.525 278 Q N 0.642 120.471 119.800 0.049 0.000 2.365 278 Q HA 0.191 4.531 4.340 -0.000 0.000 0.269 278 Q C -1.275 174.771 176.000 0.077 0.000 1.061 278 Q CA -0.898 54.934 55.803 0.048 0.000 0.816 278 Q CB 1.380 30.127 28.738 0.014 0.000 1.325 278 Q HN 0.057 nan 8.270 nan 0.000 0.446 279 D N 2.548 123.003 120.400 0.092 0.000 2.443 279 D HA 0.118 4.758 4.640 -0.000 0.000 0.239 279 D C -0.197 176.175 176.300 0.120 0.000 1.136 279 D CA 0.356 54.426 54.000 0.117 0.000 0.879 279 D CB 0.620 41.523 40.800 0.172 0.000 1.195 279 D HN 0.340 nan 8.370 nan 0.000 0.443 280 I N 3.241 123.885 120.570 0.124 0.000 2.336 280 I HA 0.210 4.380 4.170 -0.000 0.000 0.292 280 I C -2.176 173.998 176.117 0.095 0.000 0.991 280 I CA -3.030 58.352 61.300 0.137 0.000 1.227 280 I CB 0.751 38.815 38.000 0.106 0.000 1.366 280 I HN -0.063 nan 8.210 nan 0.000 0.466 281 P HA -0.034 nan 4.420 nan 0.000 0.263 281 P C 1.243 178.573 177.300 0.050 0.000 1.175 281 P CA 0.050 63.177 63.100 0.045 0.000 0.761 281 P CB 0.441 32.141 31.700 -0.001 0.000 0.794 282 I N 2.476 123.106 120.570 0.100 0.000 2.546 282 I HA -0.095 4.075 4.170 -0.000 0.000 0.255 282 I C 1.548 177.792 176.117 0.212 0.000 1.163 282 I CA 1.480 62.868 61.300 0.147 0.000 1.457 282 I CB -1.836 36.299 38.000 0.225 0.000 1.092 282 I HN 0.056 nan 8.210 nan 0.000 0.434 283 V N 1.316 121.323 119.914 0.154 0.000 2.667 283 V HA -0.186 3.934 4.120 -0.000 0.000 0.252 283 V C 2.656 178.802 176.094 0.086 0.000 1.065 283 V CA 1.399 63.802 62.300 0.172 0.000 1.083 283 V CB -0.348 31.516 31.823 0.068 0.000 0.692 283 V HN 0.257 nan 8.190 nan 0.000 0.468 284 I N -0.267 120.284 120.570 -0.030 0.000 2.179 284 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 284 I C 2.117 178.192 176.117 -0.070 0.000 1.088 284 I CA 1.730 62.954 61.300 -0.127 0.000 1.357 284 I CB -0.355 37.460 38.000 -0.309 0.000 1.051 284 I HN 0.201 nan 8.210 nan 0.000 0.409 285 I N -0.636 119.894 120.570 -0.066 0.000 2.194 285 I HA -0.356 3.814 4.170 -0.000 0.000 0.246 285 I C 2.349 178.364 176.117 -0.170 0.000 1.093 285 I CA 1.653 62.857 61.300 -0.161 0.000 1.355 285 I CB -0.477 37.388 38.000 -0.224 0.000 1.046 285 I HN 0.112 nan 8.210 nan 0.000 0.413 286 F N 0.930 120.848 119.950 -0.053 0.000 2.095 286 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 286 F C 2.712 178.465 175.800 -0.079 0.000 1.104 286 F CA 1.464 59.423 58.000 -0.067 0.000 1.232 286 F CB -0.381 38.581 39.000 -0.064 0.000 0.987 286 F HN -0.106 nan 8.300 nan 0.000 0.475 287 R N -0.138 120.413 120.500 0.086 0.000 2.152 287 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 287 R C 2.197 178.489 176.300 -0.013 0.000 1.117 287 R CA 1.016 57.125 56.100 0.015 0.000 0.981 287 R CB -0.594 29.696 30.300 -0.016 0.000 0.870 287 R HN 0.281 nan 8.270 nan 0.000 0.451 288 A N 0.663 123.462 122.820 -0.035 0.000 2.072 288 A HA 0.038 4.358 4.320 -0.000 0.000 0.216 288 A C 1.843 179.403 177.584 -0.040 0.000 1.156 288 A CA 0.533 52.544 52.037 -0.042 0.000 0.701 288 A CB -0.045 18.916 19.000 -0.066 0.000 0.816 288 A HN 0.162 nan 8.150 nan 0.000 0.458 289 L N -1.122 120.073 121.223 -0.047 0.000 2.599 289 L HA 0.191 4.531 4.340 -0.000 0.000 0.230 289 L C 1.695 178.555 176.870 -0.018 0.000 1.141 289 L CA 0.630 55.450 54.840 -0.034 0.000 0.877 289 L CB -0.058 41.968 42.059 -0.055 0.000 1.009 289 L HN 0.552 nan 8.230 nan 0.000 0.447 290 G N 0.033 108.827 108.800 -0.009 0.000 2.175 290 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.244 290 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.244 290 G C 0.178 175.075 174.900 -0.005 0.000 0.982 290 G CA -0.438 44.657 45.100 -0.008 0.000 0.641 290 G HN 0.122 nan 8.290 nan 0.000 0.527 291 I N 1.351 121.926 120.570 0.008 0.000 2.330 291 I HA 0.469 4.639 4.170 -0.000 0.000 0.286 291 I C 1.209 177.337 176.117 0.018 0.000 1.025 291 I CA -0.885 60.417 61.300 0.003 0.000 1.197 291 I CB 0.807 38.789 38.000 -0.030 0.000 1.358 291 I HN -0.056 nan 8.210 nan 0.000 0.467 292 I N 7.351 127.925 120.570 0.006 0.000 2.556 292 I HA 0.111 4.281 4.170 -0.000 0.000 0.251 292 I C -1.613 174.497 176.117 -0.011 0.000 1.105 292 I CA 0.225 61.523 61.300 -0.003 0.000 1.436 292 I CB -0.883 37.112 38.000 -0.008 0.000 1.139 292 I HN 0.360 nan 8.210 nan 0.000 0.438 293 P HA 0.080 nan 4.420 nan 0.000 0.276 293 P C 0.051 177.335 177.300 -0.027 0.000 1.230 293 P CA 0.095 63.185 63.100 -0.016 0.000 0.776 293 P CB 0.509 32.200 31.700 -0.016 0.000 0.888 294 D N 2.976 123.364 120.400 -0.021 0.000 2.157 294 D HA -0.199 4.441 4.640 -0.000 0.000 0.191 294 D C 2.209 178.475 176.300 -0.058 0.000 1.004 294 D CA 2.279 56.260 54.000 -0.033 0.000 0.854 294 D CB -0.913 39.881 40.800 -0.009 0.000 0.936 294 D HN 0.575 nan 8.370 nan 0.000 0.446 295 G N 0.555 109.325 108.800 -0.050 0.000 2.476 295 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 295 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 295 G C 1.519 176.374 174.900 -0.075 0.000 1.164 295 G CA 0.825 45.886 45.100 -0.065 0.000 0.768 295 G HN 0.331 nan 8.290 nan 0.000 0.560 296 E N -0.352 119.818 120.200 -0.050 0.000 2.152 296 E HA -0.035 4.315 4.350 -0.000 0.000 0.192 296 E C 2.460 179.070 176.600 0.015 0.000 0.983 296 E CA 0.239 56.628 56.400 -0.018 0.000 0.818 296 E CB 0.019 29.747 29.700 0.047 0.000 0.758 296 E HN 0.323 nan 8.360 nan 0.000 0.467 297 I N 0.654 121.177 120.570 -0.079 0.000 2.333 297 I HA -0.170 4.000 4.170 -0.000 0.000 0.246 297 I C 2.226 178.164 176.117 -0.298 0.000 1.106 297 I CA 1.157 62.280 61.300 -0.295 0.000 1.411 297 I CB -0.841 36.947 38.000 -0.352 0.000 1.082 297 I HN 0.127 nan 8.210 nan 0.000 0.420 298 L N 0.112 121.223 121.223 -0.187 0.000 2.240 298 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 298 L C 2.364 179.143 176.870 -0.151 0.000 1.106 298 L CA 0.779 55.517 54.840 -0.170 0.000 0.793 298 L CB -0.476 41.516 42.059 -0.110 0.000 0.927 298 L HN 0.280 nan 8.230 nan 0.000 0.446 299 E N -0.314 119.801 120.200 -0.141 0.000 2.338 299 E HA -0.213 4.137 4.350 -0.000 0.000 0.197 299 E C 1.805 178.335 176.600 -0.117 0.000 1.007 299 E CA 0.672 56.994 56.400 -0.130 0.000 0.849 299 E CB 0.120 29.735 29.700 -0.142 0.000 0.774 299 E HN 0.596 nan 8.360 nan 0.000 0.506 300 H N -0.613 118.418 119.070 -0.064 0.000 2.529 300 H HA -0.003 4.553 4.556 -0.000 0.000 0.277 300 H C 1.831 177.244 175.328 0.142 0.000 0.999 300 H CA 1.003 57.073 56.048 0.036 0.000 1.256 300 H CB 0.427 30.051 29.762 -0.231 0.000 1.402 300 H HN 0.316 nan 8.280 nan 0.000 0.566 301 I N -0.749 119.795 120.570 -0.044 0.000 2.899 301 I HA -0.025 4.145 4.170 -0.000 0.000 0.257 301 I C 0.926 176.680 176.117 -0.606 0.000 1.115 301 I CA 0.287 61.490 61.300 -0.161 0.000 1.451 301 I CB 0.740 38.676 38.000 -0.107 0.000 1.251 301 I HN 0.048 nan 8.210 nan 0.000 0.456 302 C N 1.864 120.887 119.300 -0.462 0.000 2.250 302 C HA 0.376 4.836 4.460 -0.000 0.000 0.319 302 C C 0.091 174.908 174.990 -0.288 0.000 1.124 302 C CA -0.630 58.178 59.018 -0.350 0.000 1.527 302 C CB -1.433 26.209 27.740 -0.163 0.000 2.001 302 C HN 0.378 nan 8.230 nan 0.000 0.435 303 Y N 3.428 123.799 120.300 0.118 0.000 2.994 303 Y HA 0.372 4.921 4.550 -0.000 0.000 0.393 303 Y C 0.745 176.705 175.900 0.101 0.000 1.118 303 Y CA -0.209 57.972 58.100 0.136 0.000 1.906 303 Y CB -0.282 38.308 38.460 0.217 0.000 1.925 303 Y HN 0.656 nan 8.280 nan 0.000 0.446 304 D N -0.570 119.908 120.400 0.131 0.000 2.192 304 D HA 0.033 4.673 4.640 -0.000 0.000 0.200 304 D C 0.236 176.577 176.300 0.069 0.000 1.281 304 D CA -0.190 53.871 54.000 0.103 0.000 0.895 304 D CB 0.760 41.615 40.800 0.093 0.000 1.643 304 D HN 0.042 nan 8.370 nan 0.000 0.510 305 V N 2.574 122.535 119.914 0.079 0.000 2.759 305 V HA -0.075 4.045 4.120 -0.000 0.000 0.256 305 V C 1.666 177.807 176.094 0.078 0.000 1.080 305 V CA 1.137 63.477 62.300 0.067 0.000 1.101 305 V CB -0.488 31.375 31.823 0.065 0.000 0.698 305 V HN 0.550 nan 8.190 nan 0.000 0.477 306 N N -0.014 118.739 118.700 0.088 0.000 2.280 306 N HA -0.011 4.729 4.740 -0.000 0.000 0.192 306 N C 0.692 176.284 175.510 0.138 0.000 1.109 306 N CA 0.164 53.294 53.050 0.133 0.000 0.855 306 N CB -0.058 38.507 38.487 0.129 0.000 0.974 306 N HN 0.381 nan 8.380 nan 0.000 0.482 307 D N 2.268 122.697 120.400 0.048 0.000 2.817 307 D HA -0.105 4.535 4.640 -0.000 0.000 0.226 307 D C 1.397 177.642 176.300 -0.093 0.000 1.080 307 D CA -0.298 53.658 54.000 -0.073 0.000 1.114 307 D CB -0.473 40.281 40.800 -0.076 0.000 1.159 307 D HN 0.421 nan 8.370 nan 0.000 0.449 308 W N 0.740 122.035 121.300 -0.008 0.000 2.421 308 W HA -0.165 4.495 4.660 -0.000 0.000 0.270 308 W C 1.023 177.533 176.519 -0.015 0.000 1.233 308 W CA 0.026 57.364 57.345 -0.012 0.000 1.226 308 W CB -0.671 28.784 29.460 -0.010 0.000 1.121 308 W HN 0.227 nan 8.180 nan 0.000 0.579 309 Q N 0.662 120.054 119.800 -0.680 0.000 2.123 309 Q HA -0.168 4.172 4.340 -0.000 0.000 0.199 309 Q C 2.475 178.343 176.000 -0.219 0.000 0.966 309 Q CA 1.872 57.346 55.803 -0.549 0.000 0.845 309 Q CB -0.361 27.921 28.738 -0.760 0.000 0.907 309 Q HN 0.354 nan 8.270 nan 0.000 0.439 310 M N 0.519 120.008 119.600 -0.185 0.000 2.132 310 M HA -0.149 4.330 4.480 -0.000 0.000 0.263 310 M C 1.700 177.966 176.300 -0.057 0.000 1.065 310 M CA 1.397 56.628 55.300 -0.115 0.000 1.122 310 M CB 0.121 32.651 32.600 -0.117 0.000 1.365 310 M HN 0.174 nan 8.290 nan 0.000 0.411 311 L N -0.032 121.179 121.223 -0.021 0.000 2.141 311 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 311 L C 2.364 179.254 176.870 0.033 0.000 1.094 311 L CA 1.192 56.035 54.840 0.005 0.000 0.763 311 L CB -0.802 41.274 42.059 0.029 0.000 0.908 311 L HN 0.349 nan 8.230 nan 0.000 0.437 312 E N 0.539 120.784 120.200 0.074 0.000 2.268 312 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 312 E C 2.162 178.787 176.600 0.042 0.000 0.995 312 E CA 1.089 57.542 56.400 0.088 0.000 0.836 312 E CB -0.098 29.706 29.700 0.174 0.000 0.763 312 E HN 0.342 nan 8.360 nan 0.000 0.491 313 M N -0.202 119.404 119.600 0.010 0.000 2.374 313 M HA -0.045 4.434 4.480 -0.000 0.000 0.264 313 M C 1.293 177.595 176.300 0.004 0.000 1.067 313 M CA 0.974 56.273 55.300 -0.002 0.000 1.103 313 M CB -0.039 32.543 32.600 -0.031 0.000 1.402 313 M HN 0.222 nan 8.290 nan 0.000 0.444 314 L N -1.208 120.015 121.223 -0.001 0.000 2.607 314 L HA 0.006 4.346 4.340 -0.000 0.000 0.228 314 L C 2.166 179.039 176.870 0.005 0.000 1.123 314 L CA 0.026 54.866 54.840 -0.001 0.000 0.890 314 L CB -0.277 41.770 42.059 -0.020 0.000 1.103 314 L HN 0.174 nan 8.230 nan 0.000 0.468 315 K N 1.038 121.445 120.400 0.011 0.000 2.063 315 K HA -0.156 4.163 4.320 -0.000 0.000 0.208 315 K C -0.514 176.094 176.600 0.013 0.000 1.048 315 K CA 1.513 57.806 56.287 0.010 0.000 0.928 315 K CB -0.742 31.766 32.500 0.013 0.000 0.713 315 K HN 0.206 nan 8.250 nan 0.000 0.442 316 P HA -0.152 nan 4.420 nan 0.000 0.220 316 P C 0.728 178.045 177.300 0.029 0.000 1.144 316 P CA 1.067 64.181 63.100 0.024 0.000 0.800 316 P CB 0.086 31.804 31.700 0.030 0.000 0.772 317 C N -2.016 117.303 119.300 0.030 0.000 2.492 317 C HA -0.006 4.454 4.460 -0.000 0.000 0.279 317 C C 2.650 177.660 174.990 0.033 0.000 1.335 317 C CA 0.356 59.396 59.018 0.037 0.000 1.734 317 C CB -1.210 26.556 27.740 0.043 0.000 2.027 317 C HN 0.113 nan 8.230 nan 0.000 0.496 318 V N 1.760 121.688 119.914 0.025 0.000 2.427 318 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 318 V C 2.277 178.407 176.094 0.060 0.000 1.051 318 V CA 1.974 64.295 62.300 0.035 0.000 1.048 318 V CB -0.894 30.942 31.823 0.021 0.000 0.666 318 V HN 0.627 nan 8.190 nan 0.000 0.456 319 E N 0.235 120.455 120.200 0.033 0.000 2.209 319 E HA -0.284 4.066 4.350 -0.000 0.000 0.196 319 E C 1.685 178.326 176.600 0.068 0.000 0.993 319 E CA 1.471 57.894 56.400 0.038 0.000 0.819 319 E CB -0.196 29.500 29.700 -0.007 0.000 0.745 319 E HN 0.554 nan 8.360 nan 0.000 0.477 320 D N -0.340 120.091 120.400 0.050 0.000 2.333 320 D HA -0.003 4.637 4.640 -0.000 0.000 0.208 320 D C 1.602 177.918 176.300 0.026 0.000 0.984 320 D CA 0.801 54.824 54.000 0.039 0.000 0.873 320 D CB 0.173 40.989 40.800 0.025 0.000 0.935 320 D HN 0.177 nan 8.370 nan 0.000 0.521 321 G N -1.067 107.751 108.800 0.031 0.000 3.159 321 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.232 321 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.232 321 G C 0.960 175.867 174.900 0.012 0.000 1.116 321 G CA -0.356 44.730 45.100 -0.024 0.000 0.767 321 G HN 0.205 nan 8.290 nan 0.000 0.547 322 F N 1.361 121.288 119.950 -0.038 0.000 2.236 322 F HA -0.145 4.382 4.527 -0.000 0.000 0.302 322 F C 2.167 177.949 175.800 -0.029 0.000 1.073 322 F CA 1.317 59.300 58.000 -0.029 0.000 1.336 322 F CB 0.259 39.249 39.000 -0.017 0.000 1.040 322 F HN 0.032 nan 8.300 nan 0.000 0.507 323 V N 0.145 119.992 119.914 -0.113 0.000 3.306 323 V HA -0.063 4.057 4.120 -0.000 0.000 0.264 323 V C 0.319 176.311 176.094 -0.171 0.000 1.149 323 V CA 0.633 62.842 62.300 -0.152 0.000 1.143 323 V CB -0.594 31.217 31.823 -0.020 0.000 0.767 323 V HN 0.021 nan 8.190 nan 0.000 0.476 324 I N 0.581 121.039 120.570 -0.186 0.000 2.328 324 I HA 0.340 4.510 4.170 -0.000 0.000 0.287 324 I C 0.752 176.772 176.117 -0.161 0.000 1.012 324 I CA 0.220 61.418 61.300 -0.170 0.000 1.195 324 I CB 1.642 39.518 38.000 -0.207 0.000 1.350 324 I HN 0.009 nan 8.210 nan 0.000 0.464 325 Q N 3.605 123.316 119.800 -0.147 0.000 2.217 325 Q HA 0.195 4.535 4.340 -0.000 0.000 0.217 325 Q C -0.555 175.403 176.000 -0.071 0.000 0.844 325 Q CA 0.083 55.813 55.803 -0.120 0.000 0.957 325 Q CB 0.873 29.529 28.738 -0.136 0.000 1.127 325 Q HN 0.833 nan 8.270 nan 0.000 0.503 326 D N -2.477 117.889 120.400 -0.056 0.000 2.592 326 D HA 0.197 4.837 4.640 -0.000 0.000 0.263 326 D C 0.546 176.829 176.300 -0.028 0.000 1.132 326 D CA -0.796 53.182 54.000 -0.036 0.000 0.996 326 D CB 0.967 41.750 40.800 -0.028 0.000 1.442 326 D HN -0.252 nan 8.370 nan 0.000 0.486 327 R N -0.374 120.115 120.500 -0.018 0.000 2.152 327 R HA -0.111 4.228 4.340 -0.000 0.000 0.232 327 R C 1.219 177.517 176.300 -0.004 0.000 1.117 327 R CA 1.220 57.312 56.100 -0.012 0.000 0.981 327 R CB 0.027 30.323 30.300 -0.008 0.000 0.870 327 R HN 0.525 nan 8.270 nan 0.000 0.451 328 E N -0.271 119.929 120.200 -0.000 0.000 2.001 328 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 328 E C 1.908 178.519 176.600 0.019 0.000 1.002 328 E CA 1.999 58.406 56.400 0.011 0.000 0.819 328 E CB -0.446 29.261 29.700 0.010 0.000 0.769 328 E HN 0.329 nan 8.360 nan 0.000 0.454 329 T N 1.558 116.119 114.554 0.011 0.000 2.721 329 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 329 T C 1.921 176.643 174.700 0.038 0.000 1.038 329 T CA 1.700 63.814 62.100 0.023 0.000 1.145 329 T CB -0.268 68.599 68.868 -0.001 0.000 0.858 329 T HN 0.295 nan 8.240 nan 0.000 0.459 330 A N 0.750 123.572 122.820 0.003 0.000 1.929 330 A HA 0.145 4.464 4.320 -0.000 0.000 0.216 330 A C 2.302 179.916 177.584 0.050 0.000 1.176 330 A CA 0.856 52.884 52.037 -0.015 0.000 0.628 330 A CB -0.642 18.329 19.000 -0.049 0.000 0.816 330 A HN 0.478 nan 8.150 nan 0.000 0.444 331 L N -0.642 120.604 121.223 0.040 0.000 2.083 331 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 331 L C 2.320 179.247 176.870 0.094 0.000 1.083 331 L CA 1.578 56.450 54.840 0.053 0.000 0.752 331 L CB -0.514 41.565 42.059 0.033 0.000 0.899 331 L HN 0.336 nan 8.230 nan 0.000 0.433 332 D N -0.116 120.340 120.400 0.094 0.000 2.097 332 D HA -0.249 4.391 4.640 -0.000 0.000 0.195 332 D C 1.999 178.379 176.300 0.133 0.000 0.989 332 D CA 1.087 55.147 54.000 0.100 0.000 0.827 332 D CB -0.088 40.759 40.800 0.079 0.000 0.966 332 D HN 0.169 nan 8.370 nan 0.000 0.456 333 F N 0.822 120.778 119.950 0.010 0.000 2.063 333 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 333 F C 2.198 178.008 175.800 0.018 0.000 1.109 333 F CA 1.603 59.608 58.000 0.010 0.000 1.212 333 F CB -0.257 38.744 39.000 0.002 0.000 0.973 333 F HN 0.009 nan 8.300 nan 0.000 0.480 334 I N -0.418 120.339 120.570 0.311 0.000 2.202 334 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 334 I C 2.732 178.925 176.117 0.128 0.000 1.091 334 I CA 1.385 62.796 61.300 0.185 0.000 1.368 334 I CB -1.266 36.810 38.000 0.126 0.000 1.058 334 I HN 0.291 nan 8.210 nan 0.000 0.410 335 G N 0.440 109.319 108.800 0.132 0.000 2.450 335 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 335 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 335 G C 1.789 176.737 174.900 0.080 0.000 1.130 335 G CA 0.336 45.535 45.100 0.163 0.000 0.760 335 G HN 0.287 nan 8.290 nan 0.000 0.557 336 R N -0.061 120.452 120.500 0.022 0.000 2.193 336 R HA 0.022 4.362 4.340 -0.000 0.000 0.229 336 R C 2.166 178.433 176.300 -0.055 0.000 1.110 336 R CA 0.626 56.703 56.100 -0.037 0.000 0.988 336 R CB -0.098 30.148 30.300 -0.091 0.000 0.871 336 R HN 0.288 nan 8.270 nan 0.000 0.458 337 R N -0.807 119.670 120.500 -0.038 0.000 2.320 337 R HA 0.063 4.403 4.340 -0.000 0.000 0.211 337 R C 1.319 177.638 176.300 0.032 0.000 0.931 337 R CA 0.426 56.509 56.100 -0.028 0.000 1.071 337 R CB 0.642 30.916 30.300 -0.044 0.000 1.025 337 R HN 0.182 nan 8.270 nan 0.000 0.495 338 G N 0.130 108.956 108.800 0.044 0.000 3.146 338 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.238 338 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.238 338 G C 0.318 175.103 174.900 -0.192 0.000 1.022 338 G CA -0.015 45.123 45.100 0.063 0.000 0.880 338 G HN 0.254 nan 8.290 nan 0.000 0.533 339 T N -1.728 112.711 114.554 -0.192 0.000 2.940 339 T HA 0.786 5.136 4.350 -0.000 0.000 0.288 339 T C 0.078 174.697 174.700 -0.135 0.000 1.045 339 T CA -0.159 61.794 62.100 -0.246 0.000 1.018 339 T CB 2.274 70.995 68.868 -0.245 0.000 1.151 339 T HN 0.399 nan 8.240 nan 0.000 0.529 340 A N 0.806 123.550 122.820 -0.126 0.000 2.252 340 A HA 0.694 5.014 4.320 -0.000 0.000 0.305 340 A C -0.139 177.406 177.584 -0.065 0.000 1.097 340 A CA -0.830 51.157 52.037 -0.082 0.000 0.849 340 A CB 0.195 19.151 19.000 -0.073 0.000 1.142 340 A HN 0.957 nan 8.150 nan 0.000 0.499 341 L N 0.829 122.024 121.223 -0.048 0.000 2.367 341 L HA 0.544 4.883 4.340 -0.000 0.000 0.275 341 L C 1.071 177.921 176.870 -0.033 0.000 1.129 341 L CA 1.953 56.771 54.840 -0.037 0.000 0.839 341 L CB 0.350 42.391 42.059 -0.031 0.000 1.133 341 L HN 1.514 nan 8.230 nan 0.000 0.453 342 G N 4.429 113.211 108.800 -0.029 0.000 2.391 342 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.204 342 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.204 342 G C 0.380 175.264 174.900 -0.027 0.000 1.012 342 G CA -0.057 45.028 45.100 -0.026 0.000 0.651 342 G HN 0.626 nan 8.290 nan 0.000 0.494 343 I N 2.484 123.032 120.570 -0.038 0.000 2.618 343 I HA 0.178 4.348 4.170 -0.000 0.000 0.284 343 I C 1.003 177.107 176.117 -0.022 0.000 1.146 343 I CA 0.131 61.408 61.300 -0.037 0.000 1.425 343 I CB 0.776 38.739 38.000 -0.061 0.000 1.383 343 I HN 0.063 nan 8.210 nan 0.000 0.562 344 K N 5.599 125.992 120.400 -0.012 0.000 2.258 344 K HA 0.059 4.379 4.320 -0.000 0.000 0.264 344 K C 1.067 177.670 176.600 0.005 0.000 1.007 344 K CA -0.352 55.933 56.287 -0.002 0.000 0.941 344 K CB 0.858 33.358 32.500 0.001 0.000 0.966 344 K HN 0.474 nan 8.250 nan 0.000 0.480 345 K N 1.987 122.392 120.400 0.009 0.000 2.001 345 K HA -0.276 4.044 4.320 -0.000 0.000 0.214 345 K C 1.748 178.363 176.600 0.025 0.000 1.050 345 K CA 1.974 58.272 56.287 0.017 0.000 0.934 345 K CB -0.001 32.509 32.500 0.017 0.000 0.718 345 K HN 0.626 nan 8.250 nan 0.000 0.443 346 E N 0.349 120.563 120.200 0.023 0.000 2.209 346 E HA -0.219 4.131 4.350 -0.000 0.000 0.196 346 E C 1.680 178.303 176.600 0.038 0.000 0.993 346 E CA 1.332 57.749 56.400 0.028 0.000 0.819 346 E CB 0.193 29.907 29.700 0.022 0.000 0.745 346 E HN 0.233 nan 8.360 nan 0.000 0.477 347 K N -0.356 120.065 120.400 0.035 0.000 2.211 347 K HA 0.041 4.361 4.320 -0.000 0.000 0.201 347 K C 2.282 178.925 176.600 0.071 0.000 1.052 347 K CA 0.143 56.458 56.287 0.047 0.000 0.973 347 K CB 0.151 32.667 32.500 0.027 0.000 0.766 347 K HN 0.038 nan 8.250 nan 0.000 0.466 348 R N 0.921 121.453 120.500 0.053 0.000 2.080 348 R HA -0.094 4.246 4.340 -0.000 0.000 0.236 348 R C 2.327 178.701 176.300 0.124 0.000 1.137 348 R CA 1.405 57.556 56.100 0.084 0.000 0.943 348 R CB -0.551 29.779 30.300 0.049 0.000 0.846 348 R HN 0.148 nan 8.270 nan 0.000 0.431 349 I N 0.927 121.546 120.570 0.082 0.000 2.113 349 I HA -0.354 3.816 4.170 -0.000 0.000 0.242 349 I C 2.676 178.839 176.117 0.076 0.000 1.064 349 I CA 1.643 62.985 61.300 0.070 0.000 1.320 349 I CB -0.319 37.710 38.000 0.048 0.000 1.028 349 I HN 0.211 nan 8.210 nan 0.000 0.406 350 Q N -0.011 119.837 119.800 0.080 0.000 2.297 350 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 350 Q C 1.957 178.008 176.000 0.085 0.000 0.962 350 Q CA 1.291 57.135 55.803 0.069 0.000 0.879 350 Q CB -0.415 28.361 28.738 0.064 0.000 0.947 350 Q HN 0.558 nan 8.270 nan 0.000 0.462 351 Y N -0.198 120.112 120.300 0.016 0.000 2.242 351 Y HA -0.076 4.474 4.550 -0.000 0.000 0.291 351 Y C 1.949 177.867 175.900 0.029 0.000 1.137 351 Y CA 1.596 59.706 58.100 0.017 0.000 1.181 351 Y CB -0.514 37.952 38.460 0.010 0.000 0.989 351 Y HN 0.202 nan 8.280 nan 0.000 0.527 352 A N 0.040 122.871 122.820 0.018 0.000 1.897 352 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 352 A C 2.208 179.756 177.584 -0.060 0.000 1.181 352 A CA 1.489 53.510 52.037 -0.026 0.000 0.620 352 A CB -0.446 18.579 19.000 0.042 0.000 0.821 352 A HN 0.457 nan 8.150 nan 0.000 0.443 353 K N -0.146 120.241 120.400 -0.021 0.000 2.057 353 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 353 K C 1.477 178.061 176.600 -0.027 0.000 1.049 353 K CA 1.540 57.818 56.287 -0.014 0.000 0.931 353 K CB -0.243 32.262 32.500 0.009 0.000 0.714 353 K HN 0.349 nan 8.250 nan 0.000 0.440 354 D N 0.703 121.068 120.400 -0.057 0.000 2.149 354 D HA -0.138 4.502 4.640 -0.000 0.000 0.198 354 D C 1.788 178.044 176.300 -0.072 0.000 0.990 354 D CA 0.895 54.858 54.000 -0.061 0.000 0.839 354 D CB -0.006 40.738 40.800 -0.093 0.000 0.948 354 D HN 0.073 nan 8.370 nan 0.000 0.460 355 I N 0.379 120.864 120.570 -0.142 0.000 2.333 355 I HA -0.117 4.053 4.170 -0.000 0.000 0.246 355 I C 2.349 178.469 176.117 0.005 0.000 1.106 355 I CA 0.628 61.873 61.300 -0.092 0.000 1.411 355 I CB -0.744 37.166 38.000 -0.149 0.000 1.082 355 I HN 0.050 nan 8.210 nan 0.000 0.420 356 L N -0.233 120.974 121.223 -0.028 0.000 2.201 356 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 356 L C 2.515 179.478 176.870 0.155 0.000 1.105 356 L CA 1.005 55.866 54.840 0.035 0.000 0.775 356 L CB -0.504 41.518 42.059 -0.062 0.000 0.913 356 L HN 0.332 nan 8.230 nan 0.000 0.440 357 Q N 0.012 119.866 119.800 0.090 0.000 2.187 357 Q HA -0.118 4.222 4.340 -0.000 0.000 0.199 357 Q C 1.733 177.782 176.000 0.081 0.000 0.957 357 Q CA 1.143 56.998 55.803 0.087 0.000 0.857 357 Q CB 0.414 29.184 28.738 0.054 0.000 0.929 357 Q HN 0.445 nan 8.270 nan 0.000 0.453 358 K N -1.076 119.372 120.400 0.081 0.000 2.435 358 K HA 0.088 4.408 4.320 -0.000 0.000 0.199 358 K C 0.687 177.355 176.600 0.114 0.000 1.153 358 K CA 0.193 56.527 56.287 0.078 0.000 0.974 358 K CB 0.985 33.524 32.500 0.066 0.000 0.997 358 K HN -0.049 nan 8.250 nan 0.000 0.547 359 E N -0.381 119.906 120.200 0.146 0.000 2.676 359 E HA 0.088 4.438 4.350 -0.000 0.000 0.225 359 E C -0.936 175.792 176.600 0.213 0.000 0.944 359 E CA -0.143 56.360 56.400 0.172 0.000 1.156 359 E CB 0.682 30.489 29.700 0.179 0.000 1.117 359 E HN -0.002 nan 8.360 nan 0.000 0.523 360 F N 1.648 121.624 119.950 0.042 0.000 2.427 360 F HA 0.304 4.831 4.527 -0.000 0.000 0.346 360 F C 0.580 176.408 175.800 0.047 0.000 1.120 360 F CA -1.022 57.003 58.000 0.042 0.000 1.033 360 F CB 0.592 39.607 39.000 0.025 0.000 1.126 360 F HN -0.075 nan 8.300 nan 0.000 0.462 361 L N 7.705 128.779 121.223 -0.248 0.000 4.054 361 L HA -0.224 4.116 4.340 -0.000 0.000 0.475 361 L C -1.469 175.331 176.870 -0.117 0.000 1.166 361 L CA -0.135 54.574 54.840 -0.219 0.000 0.688 361 L CB -0.893 40.859 42.059 -0.512 0.000 1.512 361 L HN 0.576 nan 8.230 nan 0.000 0.799 362 P HA -0.195 nan 4.420 nan 0.000 0.231 362 P C 1.279 178.569 177.300 -0.016 0.000 1.158 362 P CA 1.626 64.726 63.100 -0.000 0.000 0.763 362 P CB -0.139 31.599 31.700 0.063 0.000 0.805 363 H N -0.485 118.517 119.070 -0.113 0.000 2.524 363 H HA 0.065 4.621 4.556 -0.000 0.000 0.282 363 H C 1.769 177.008 175.328 -0.148 0.000 1.016 363 H CA 0.247 56.231 56.048 -0.108 0.000 1.270 363 H CB -1.032 28.678 29.762 -0.088 0.000 1.394 363 H HN 0.142 nan 8.280 nan 0.000 0.568 364 I N 1.023 121.146 120.570 -0.744 0.000 2.086 364 I HA -0.098 4.072 4.170 -0.000 0.000 0.233 364 I C 0.528 176.467 176.117 -0.297 0.000 1.060 364 I CA 1.378 62.337 61.300 -0.569 0.000 1.326 364 I CB -0.028 37.669 38.000 -0.505 0.000 1.067 364 I HN 0.191 nan 8.210 nan 0.000 0.398 365 T N -1.430 113.004 114.554 -0.201 0.000 2.840 365 T HA 0.225 4.575 4.350 -0.000 0.000 0.317 365 T C -0.392 174.232 174.700 -0.126 0.000 1.401 365 T CA -0.558 61.423 62.100 -0.199 0.000 1.028 365 T CB 2.236 70.963 68.868 -0.235 0.000 1.317 365 T HN 0.126 nan 8.240 nan 0.000 0.495 366 Q N 0.689 120.408 119.800 -0.134 0.000 2.171 366 Q HA 0.360 4.700 4.340 -0.000 0.000 0.218 366 Q C 0.097 176.062 176.000 -0.059 0.000 0.822 366 Q CA -0.011 55.754 55.803 -0.062 0.000 0.987 366 Q CB 0.323 29.033 28.738 -0.047 0.000 1.144 366 Q HN 0.503 nan 8.270 nan 0.000 0.494 367 L N -1.790 119.362 121.223 -0.119 0.000 2.687 367 L HA 0.431 4.771 4.340 -0.000 0.000 0.252 367 L C 1.104 178.003 176.870 0.049 0.000 1.115 367 L CA -0.829 53.945 54.840 -0.111 0.000 0.893 367 L CB 0.390 42.295 42.059 -0.256 0.000 1.670 367 L HN -0.127 nan 8.230 nan 0.000 0.531 368 E N 0.260 120.551 120.200 0.151 0.000 2.251 368 E HA 0.028 4.378 4.350 -0.000 0.000 0.194 368 E C 1.787 178.613 176.600 0.377 0.000 0.964 368 E CA 0.706 57.242 56.400 0.226 0.000 0.868 368 E CB 0.206 29.981 29.700 0.126 0.000 0.828 368 E HN 0.923 nan 8.360 nan 0.000 0.481 369 G N 0.592 109.839 108.800 0.745 0.000 2.776 369 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.209 369 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.209 369 G C 0.277 175.062 174.900 -0.191 0.000 1.145 369 G CA 0.013 45.211 45.100 0.163 0.000 0.791 369 G HN 0.032 nan 8.290 nan 0.000 0.530 370 F N 0.343 120.292 119.950 -0.001 0.000 2.732 370 F HA 0.455 4.982 4.527 -0.000 0.000 0.312 370 F C 1.101 176.901 175.800 0.001 0.000 1.240 370 F CA -1.032 56.961 58.000 -0.012 0.000 1.211 370 F CB 0.995 39.973 39.000 -0.036 0.000 1.331 370 F HN 0.051 nan 8.300 nan 0.000 0.537 371 E N -0.676 119.514 120.200 -0.016 0.000 2.340 371 E HA -0.040 4.310 4.350 -0.000 0.000 0.198 371 E C 2.264 178.869 176.600 0.008 0.000 0.961 371 E CA 0.411 56.824 56.400 0.022 0.000 0.905 371 E CB 0.307 30.011 29.700 0.007 0.000 0.884 371 E HN 0.255 nan 8.360 nan 0.000 0.491 372 S N 0.520 116.216 115.700 -0.008 0.000 2.387 372 S HA -0.123 4.346 4.470 -0.000 0.000 0.226 372 S C 1.787 176.480 174.600 0.155 0.000 1.026 372 S CA 0.870 59.103 58.200 0.055 0.000 0.972 372 S CB -0.004 63.251 63.200 0.091 0.000 0.814 372 S HN 0.124 nan 8.310 nan 0.000 0.477 373 R N 1.052 121.603 120.500 0.085 0.000 2.103 373 R HA -0.050 4.290 4.340 -0.000 0.000 0.242 373 R C 2.486 178.877 176.300 0.152 0.000 1.142 373 R CA 1.718 57.871 56.100 0.089 0.000 0.960 373 R CB -0.316 29.997 30.300 0.022 0.000 0.858 373 R HN 0.404 nan 8.270 nan 0.000 0.439 374 K N 0.402 120.870 120.400 0.113 0.000 2.103 374 K HA 0.009 4.329 4.320 -0.000 0.000 0.204 374 K C 2.267 178.972 176.600 0.176 0.000 1.052 374 K CA 1.016 57.369 56.287 0.111 0.000 0.945 374 K CB -0.078 32.477 32.500 0.091 0.000 0.722 374 K HN 0.175 nan 8.250 nan 0.000 0.443 375 A N 1.064 123.947 122.820 0.105 0.000 1.858 375 A HA -0.154 4.165 4.320 -0.000 0.000 0.216 375 A C 1.965 179.690 177.584 0.235 0.000 1.190 375 A CA 1.326 53.380 52.037 0.027 0.000 0.617 375 A CB -0.836 18.061 19.000 -0.172 0.000 0.827 375 A HN 0.208 nan 8.150 nan 0.000 0.443 376 F N -1.929 118.207 119.950 0.311 0.000 2.171 376 F HA -0.104 4.422 4.527 -0.000 0.000 0.300 376 F C 2.026 178.189 175.800 0.606 0.000 1.090 376 F CA 1.556 59.827 58.000 0.451 0.000 1.293 376 F CB -0.285 38.757 39.000 0.070 0.000 1.013 376 F HN 0.341 nan 8.300 nan 0.000 0.486 377 F N -0.261 120.011 119.950 0.536 0.000 2.367 377 F HA -0.095 4.432 4.527 -0.000 0.000 0.298 377 F C 2.002 178.068 175.800 0.443 0.000 1.094 377 F CA 0.607 58.934 58.000 0.545 0.000 1.409 377 F CB -0.192 39.012 39.000 0.341 0.000 1.064 377 F HN -0.091 nan 8.300 nan 0.000 0.528 378 L N 0.337 121.856 121.223 0.492 0.000 2.093 378 L HA 0.070 4.410 4.340 -0.000 0.000 0.208 378 L C 2.331 179.422 176.870 0.368 0.000 1.085 378 L CA 2.177 57.216 54.840 0.331 0.000 0.755 378 L CB -1.448 40.678 42.059 0.111 0.000 0.904 378 L HN 0.139 nan 8.230 nan 0.000 0.435 379 G N -1.515 107.605 108.800 0.533 0.000 2.404 379 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.215 379 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.215 379 G C 1.583 176.757 174.900 0.456 0.000 1.174 379 G CA 0.828 46.266 45.100 0.562 0.000 0.780 379 G HN 0.555 nan 8.290 nan 0.000 0.537 380 Y N 0.885 121.433 120.300 0.413 0.000 2.315 380 Y HA -0.040 4.510 4.550 -0.000 0.000 0.288 380 Y C 2.675 178.597 175.900 0.037 0.000 1.154 380 Y CA 1.539 59.794 58.100 0.257 0.000 1.229 380 Y CB -0.060 38.461 38.460 0.102 0.000 0.980 380 Y HN 0.150 nan 8.280 nan 0.000 0.540 381 M N -0.875 118.712 119.600 -0.022 0.000 2.288 381 M HA -0.111 4.369 4.480 -0.000 0.000 0.266 381 M C 1.948 178.198 176.300 -0.083 0.000 1.072 381 M CA 1.374 56.583 55.300 -0.153 0.000 1.132 381 M CB -0.175 32.413 32.600 -0.020 0.000 1.386 381 M HN 0.293 nan 8.290 nan 0.000 0.432 382 I N 0.168 120.759 120.570 0.036 0.000 2.439 382 I HA -0.272 3.898 4.170 -0.000 0.000 0.251 382 I C 2.038 178.134 176.117 -0.036 0.000 1.139 382 I CA 1.086 62.407 61.300 0.035 0.000 1.438 382 I CB -0.489 37.586 38.000 0.124 0.000 1.085 382 I HN 0.392 nan 8.210 nan 0.000 0.427 383 N N 0.911 119.582 118.700 -0.048 0.000 2.084 383 N HA -0.194 4.546 4.740 -0.000 0.000 0.190 383 N C 2.119 177.542 175.510 -0.145 0.000 1.030 383 N CA 1.212 54.207 53.050 -0.092 0.000 0.849 383 N CB 0.098 38.566 38.487 -0.031 0.000 1.012 383 N HN 0.077 nan 8.380 nan 0.000 0.423 384 R N 0.245 120.602 120.500 -0.240 0.000 2.096 384 R HA -0.159 4.181 4.340 -0.000 0.000 0.240 384 R C 2.257 178.451 176.300 -0.178 0.000 1.139 384 R CA 1.208 57.152 56.100 -0.261 0.000 0.952 384 R CB -1.181 28.878 30.300 -0.401 0.000 0.854 384 R HN 0.374 nan 8.270 nan 0.000 0.436 385 L N 1.346 122.480 121.223 -0.147 0.000 2.042 385 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 385 L C 2.149 178.927 176.870 -0.152 0.000 1.076 385 L CA 1.635 56.404 54.840 -0.119 0.000 0.749 385 L CB -0.355 41.662 42.059 -0.070 0.000 0.893 385 L HN 0.098 nan 8.230 nan 0.000 0.432 386 L N -1.458 119.685 121.223 -0.135 0.000 2.291 386 L HA -0.127 4.213 4.340 -0.000 0.000 0.214 386 L C 2.319 179.099 176.870 -0.150 0.000 1.120 386 L CA 0.083 54.835 54.840 -0.147 0.000 0.799 386 L CB -0.591 41.401 42.059 -0.112 0.000 0.925 386 L HN 0.291 nan 8.230 nan 0.000 0.446 387 L N -0.386 120.757 121.223 -0.133 0.000 2.141 387 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 387 L C 2.509 179.311 176.870 -0.113 0.000 1.094 387 L CA 1.463 56.235 54.840 -0.114 0.000 0.763 387 L CB -0.697 41.304 42.059 -0.098 0.000 0.908 387 L HN 0.401 nan 8.230 nan 0.000 0.437 388 C N -1.580 117.641 119.300 -0.132 0.000 2.504 388 C HA 0.201 4.660 4.460 -0.000 0.000 0.279 388 C C 2.923 177.784 174.990 -0.214 0.000 1.358 388 C CA 0.417 59.373 59.018 -0.104 0.000 1.747 388 C CB -0.882 26.830 27.740 -0.047 0.000 2.037 388 C HN 0.531 nan 8.230 nan 0.000 0.503 389 A N 0.553 123.127 122.820 -0.411 0.000 1.972 389 A HA 0.023 4.343 4.320 -0.000 0.000 0.219 389 A C 2.046 179.504 177.584 -0.210 0.000 1.169 389 A CA 1.426 53.171 52.037 -0.487 0.000 0.635 389 A CB -0.611 18.100 19.000 -0.481 0.000 0.810 389 A HN 0.672 nan 8.150 nan 0.000 0.446 390 L N -1.006 120.122 121.223 -0.159 0.000 2.554 390 L HA 0.001 4.341 4.340 -0.000 0.000 0.226 390 L C -0.144 176.679 176.870 -0.079 0.000 1.137 390 L CA 0.388 55.159 54.840 -0.115 0.000 0.863 390 L CB -0.276 41.705 42.059 -0.130 0.000 0.985 390 L HN 0.377 nan 8.230 nan 0.000 0.451 391 D N -0.378 119.985 120.400 -0.063 0.000 2.988 391 D HA -0.170 4.470 4.640 -0.000 0.000 0.221 391 D C 1.000 177.280 176.300 -0.035 0.000 1.122 391 D CA 0.488 54.471 54.000 -0.028 0.000 0.821 391 D CB -0.825 39.970 40.800 -0.009 0.000 1.098 391 D HN 0.435 nan 8.370 nan 0.000 0.433 392 R N -0.353 120.117 120.500 -0.050 0.000 2.265 392 R HA 0.096 4.436 4.340 -0.000 0.000 0.194 392 R C 0.698 176.978 176.300 -0.033 0.000 0.931 392 R CA 0.269 56.343 56.100 -0.044 0.000 1.032 392 R CB 0.578 30.844 30.300 -0.058 0.000 0.980 392 R HN -0.059 nan 8.270 nan 0.000 0.497 393 K N 0.594 120.974 120.400 -0.033 0.000 2.477 393 K HA 0.257 4.577 4.320 -0.000 0.000 0.255 393 K C -1.242 175.354 176.600 -0.005 0.000 0.952 393 K CA -0.824 55.450 56.287 -0.023 0.000 0.826 393 K CB 2.006 34.483 32.500 -0.039 0.000 1.331 393 K HN -0.205 nan 8.250 nan 0.000 0.437 394 D N 1.715 122.120 120.400 0.009 0.000 2.313 394 D HA 0.050 4.690 4.640 -0.000 0.000 0.247 394 D C -0.006 176.321 176.300 0.044 0.000 1.094 394 D CA -0.075 53.944 54.000 0.032 0.000 0.925 394 D CB 0.925 41.744 40.800 0.032 0.000 1.188 394 D HN 0.332 nan 8.370 nan 0.000 0.430 395 Q N 1.345 121.193 119.800 0.080 0.000 2.354 395 Q HA -0.023 4.317 4.340 -0.000 0.000 0.310 395 Q C -0.518 175.560 176.000 0.130 0.000 1.104 395 Q CA 0.215 56.091 55.803 0.122 0.000 0.968 395 Q CB 0.573 29.435 28.738 0.207 0.000 1.251 395 Q HN 0.309 nan 8.270 nan 0.000 0.411 396 D N 1.763 122.246 120.400 0.138 0.000 2.372 396 D HA -0.005 4.635 4.640 -0.000 0.000 0.243 396 D C -0.718 175.735 176.300 0.256 0.000 1.121 396 D CA 0.084 54.157 54.000 0.121 0.000 0.898 396 D CB 0.813 41.605 40.800 -0.015 0.000 1.202 396 D HN 0.563 nan 8.370 nan 0.000 0.428 397 D N 1.749 122.245 120.400 0.161 0.000 2.411 397 D HA 0.026 4.666 4.640 -0.000 0.000 0.225 397 D C 0.810 177.175 176.300 0.109 0.000 1.156 397 D CA -0.315 53.762 54.000 0.128 0.000 0.874 397 D CB 0.338 41.214 40.800 0.127 0.000 1.034 397 D HN 0.182 nan 8.370 nan 0.000 0.502 398 R N 2.245 122.806 120.500 0.101 0.000 2.357 398 R HA -0.043 4.297 4.340 -0.000 0.000 0.202 398 R C -0.073 176.220 176.300 -0.012 0.000 1.047 398 R CA 0.580 56.715 56.100 0.057 0.000 1.034 398 R CB 0.370 30.644 30.300 -0.042 0.000 0.875 398 R HN 0.442 nan 8.270 nan 0.000 0.473 399 D N -0.703 119.654 120.400 -0.072 0.000 2.402 399 D HA -0.022 4.618 4.640 -0.000 0.000 0.216 399 D C 0.087 176.141 176.300 -0.411 0.000 1.128 399 D CA 0.064 53.952 54.000 -0.187 0.000 0.833 399 D CB 0.086 40.766 40.800 -0.199 0.000 0.971 399 D HN 0.149 nan 8.370 nan 0.000 0.503 400 H N 0.607 119.470 119.070 -0.346 0.000 2.929 400 H HA -0.076 4.480 4.556 -0.000 0.000 0.317 400 H C 0.441 175.725 175.328 -0.075 0.000 1.031 400 H CA 0.130 56.041 56.048 -0.229 0.000 1.466 400 H CB 0.419 30.133 29.762 -0.081 0.000 1.482 400 H HN -0.028 nan 8.280 nan 0.000 0.561 401 F N 3.785 123.621 119.950 -0.191 0.000 2.604 401 F HA 0.066 4.593 4.527 -0.000 0.000 0.298 401 F C 2.136 177.968 175.800 0.054 0.000 1.131 401 F CA 1.027 58.972 58.000 -0.092 0.000 1.457 401 F CB -0.001 38.906 39.000 -0.156 0.000 1.095 401 F HN 0.697 nan 8.300 nan 0.000 0.574 402 G N -0.565 108.480 108.800 0.409 0.000 2.744 402 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.211 402 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.211 402 G C 1.380 176.243 174.900 -0.062 0.000 1.143 402 G CA 0.025 45.223 45.100 0.163 0.000 0.788 402 G HN 0.266 nan 8.290 nan 0.000 0.534 403 K N 0.067 120.442 120.400 -0.042 0.000 2.576 403 K HA 0.205 4.525 4.320 -0.000 0.000 0.209 403 K C -0.043 176.473 176.600 -0.140 0.000 1.049 403 K CA -0.112 56.100 56.287 -0.125 0.000 1.140 403 K CB 0.398 32.842 32.500 -0.094 0.000 0.871 403 K HN -0.016 nan 8.250 nan 0.000 0.479 404 K N 0.694 120.962 120.400 -0.218 0.000 2.350 404 K HA 0.478 4.798 4.320 -0.000 0.000 0.241 404 K C -0.340 176.077 176.600 -0.304 0.000 0.994 404 K CA -0.830 55.302 56.287 -0.258 0.000 0.839 404 K CB 1.667 33.930 32.500 -0.394 0.000 1.244 404 K HN -0.098 nan 8.250 nan 0.000 0.443 405 R N 0.988 121.346 120.500 -0.237 0.000 2.673 405 R HA 0.510 4.850 4.340 -0.000 0.000 0.281 405 R C -0.581 175.616 176.300 -0.172 0.000 0.991 405 R CA -0.804 55.180 56.100 -0.195 0.000 0.896 405 R CB 1.405 31.631 30.300 -0.125 0.000 1.201 405 R HN 0.470 nan 8.270 nan 0.000 0.457 406 L N 2.256 123.387 121.223 -0.153 0.000 2.295 406 L HA 0.402 4.742 4.340 -0.000 0.000 0.285 406 L C -0.368 176.449 176.870 -0.089 0.000 1.035 406 L CA -0.705 54.071 54.840 -0.107 0.000 0.806 406 L CB 1.637 43.643 42.059 -0.089 0.000 1.214 406 L HN 0.345 nan 8.230 nan 0.000 0.426 407 D N 4.122 124.467 120.400 -0.091 0.000 2.303 407 D HA 0.512 5.152 4.640 -0.000 0.000 0.236 407 D C -0.063 176.166 176.300 -0.119 0.000 1.068 407 D CA -0.200 53.742 54.000 -0.097 0.000 0.830 407 D CB 2.498 43.236 40.800 -0.103 0.000 1.109 407 D HN 0.248 nan 8.370 nan 0.000 0.496 408 L N 0.993 122.154 121.223 -0.104 0.000 2.492 408 L HA 0.454 4.794 4.340 -0.000 0.000 0.263 408 L C 1.949 178.755 176.870 -0.106 0.000 1.062 408 L CA -0.787 53.993 54.840 -0.100 0.000 0.817 408 L CB 0.600 42.619 42.059 -0.066 0.000 1.441 408 L HN 0.394 nan 8.230 nan 0.000 0.493 409 A N 0.650 123.438 122.820 -0.053 0.000 1.882 409 A HA -0.246 4.073 4.320 -0.000 0.000 0.220 409 A C 2.018 179.551 177.584 -0.085 0.000 1.253 409 A CA 2.594 54.628 52.037 -0.006 0.000 0.664 409 A CB -1.771 17.315 19.000 0.143 0.000 0.838 409 A HN 0.986 nan 8.150 nan 0.000 0.460 410 G N -0.143 108.603 108.800 -0.089 0.000 2.628 410 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 410 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 410 G C -0.240 174.525 174.900 -0.225 0.000 1.240 410 G CA 1.476 46.442 45.100 -0.224 0.000 0.792 410 G HN 0.524 nan 8.290 nan 0.000 0.593 411 P HA 0.001 nan 4.420 nan 0.000 0.219 411 P C 1.970 179.237 177.300 -0.056 0.000 1.146 411 P CA 0.679 63.750 63.100 -0.049 0.000 0.808 411 P CB -0.078 31.597 31.700 -0.041 0.000 0.779 412 L N -1.605 119.537 121.223 -0.134 0.000 2.095 412 L HA -0.051 4.289 4.340 -0.000 0.000 0.204 412 L C 1.944 178.854 176.870 0.068 0.000 1.080 412 L CA 1.033 55.767 54.840 -0.177 0.000 0.759 412 L CB -0.692 41.028 42.059 -0.566 0.000 0.914 412 L HN -0.079 nan 8.230 nan 0.000 0.439 413 L N -0.448 120.735 121.223 -0.067 0.000 2.660 413 L HA 0.069 4.409 4.340 -0.000 0.000 0.238 413 L C 1.884 178.688 176.870 -0.111 0.000 1.161 413 L CA -0.032 54.771 54.840 -0.061 0.000 0.937 413 L CB -0.311 41.508 42.059 -0.401 0.000 1.122 413 L HN 0.166 nan 8.230 nan 0.000 0.435 414 A N -1.104 121.742 122.820 0.044 0.000 2.013 414 A HA -0.008 4.312 4.320 -0.000 0.000 0.204 414 A C 2.072 179.812 177.584 0.260 0.000 1.262 414 A CA 0.044 52.242 52.037 0.268 0.000 0.800 414 A CB 0.055 19.224 19.000 0.282 0.000 0.909 414 A HN 0.289 nan 8.150 nan 0.000 0.472 415 Q N 0.054 119.989 119.800 0.224 0.000 2.082 415 Q HA -0.235 4.105 4.340 -0.000 0.000 0.211 415 Q C 1.949 178.094 176.000 0.241 0.000 1.002 415 Q CA 2.205 58.148 55.803 0.235 0.000 0.868 415 Q CB -0.385 28.526 28.738 0.289 0.000 0.931 415 Q HN 0.678 nan 8.270 nan 0.000 0.414 416 L N -0.996 120.394 121.223 0.279 0.000 1.973 416 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 416 L C 2.194 179.206 176.870 0.237 0.000 1.073 416 L CA 1.247 56.195 54.840 0.181 0.000 0.746 416 L CB -0.348 41.794 42.059 0.138 0.000 0.891 416 L HN 0.278 nan 8.230 nan 0.000 0.433 417 F N 0.100 120.135 119.950 0.141 0.000 2.802 417 F HA -0.082 4.445 4.527 -0.000 0.000 0.300 417 F C 2.276 178.151 175.800 0.125 0.000 1.168 417 F CA 0.559 58.641 58.000 0.136 0.000 1.433 417 F CB 0.055 39.179 39.000 0.207 0.000 1.115 417 F HN -0.054 nan 8.300 nan 0.000 0.582 418 K N -0.287 120.343 120.400 0.383 0.000 2.141 418 K HA -0.038 4.282 4.320 -0.000 0.000 0.202 418 K C 1.827 178.541 176.600 0.191 0.000 1.045 418 K CA 1.262 57.731 56.287 0.303 0.000 0.971 418 K CB -0.280 32.363 32.500 0.238 0.000 0.795 418 K HN 0.079 nan 8.250 nan 0.000 0.459 419 T N 1.999 116.643 114.554 0.149 0.000 2.849 419 T HA -0.093 4.257 4.350 -0.000 0.000 0.270 419 T C 1.642 176.364 174.700 0.037 0.000 1.066 419 T CA 1.164 63.319 62.100 0.092 0.000 1.130 419 T CB -0.023 68.890 68.868 0.075 0.000 0.864 419 T HN 0.160 nan 8.240 nan 0.000 0.481 420 L N -0.781 120.450 121.223 0.014 0.000 2.375 420 L HA 0.217 4.557 4.340 -0.000 0.000 0.215 420 L C 1.865 178.674 176.870 -0.101 0.000 1.108 420 L CA 0.429 55.230 54.840 -0.066 0.000 0.830 420 L CB -0.211 41.781 42.059 -0.112 0.000 0.959 420 L HN 0.197 nan 8.230 nan 0.000 0.457 421 F N 0.210 120.002 119.950 -0.263 0.000 2.512 421 F HA 0.001 4.528 4.527 -0.000 0.000 0.296 421 F C 2.237 177.920 175.800 -0.196 0.000 1.110 421 F CA 0.834 58.639 58.000 -0.326 0.000 1.446 421 F CB 0.089 38.890 39.000 -0.332 0.000 1.092 421 F HN -0.203 nan 8.300 nan 0.000 0.554 422 K N 0.902 121.258 120.400 -0.073 0.000 2.217 422 K HA -0.060 4.260 4.320 -0.000 0.000 0.202 422 K C 1.929 178.438 176.600 -0.151 0.000 1.051 422 K CA 0.753 56.971 56.287 -0.115 0.000 0.952 422 K CB -0.161 32.334 32.500 -0.009 0.000 0.736 422 K HN 0.284 nan 8.250 nan 0.000 0.453 423 K N 0.418 120.737 120.400 -0.135 0.000 1.992 423 K HA -0.046 4.274 4.320 -0.000 0.000 0.210 423 K C 2.091 178.592 176.600 -0.166 0.000 1.036 423 K CA 0.651 56.869 56.287 -0.114 0.000 0.946 423 K CB -0.689 31.757 32.500 -0.090 0.000 0.742 423 K HN 0.016 nan 8.250 nan 0.000 0.442 424 L N 1.441 122.541 121.223 -0.205 0.000 2.186 424 L HA -0.342 3.998 4.340 -0.000 0.000 0.221 424 L C 2.251 178.942 176.870 -0.298 0.000 1.087 424 L CA 1.982 56.674 54.840 -0.246 0.000 0.794 424 L CB -0.471 41.378 42.059 -0.349 0.000 0.893 424 L HN 0.270 nan 8.230 nan 0.000 0.442 425 T N -1.382 112.902 114.554 -0.450 0.000 2.985 425 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 425 T C 1.811 176.441 174.700 -0.117 0.000 1.076 425 T CA 1.033 62.913 62.100 -0.366 0.000 1.135 425 T CB 0.051 68.561 68.868 -0.596 0.000 0.890 425 T HN 0.376 nan 8.240 nan 0.000 0.480 426 K N 0.540 120.872 120.400 -0.114 0.000 2.137 426 K HA 0.004 4.324 4.320 -0.000 0.000 0.202 426 K C 1.681 178.309 176.600 0.047 0.000 1.052 426 K CA 0.815 57.077 56.287 -0.042 0.000 0.961 426 K CB -0.081 32.376 32.500 -0.072 0.000 0.741 426 K HN 0.117 nan 8.250 nan 0.000 0.452 427 D N 1.248 121.657 120.400 0.015 0.000 2.362 427 D HA -0.144 4.496 4.640 -0.000 0.000 0.215 427 D C 1.470 177.835 176.300 0.109 0.000 0.978 427 D CA 0.919 54.950 54.000 0.053 0.000 0.921 427 D CB -0.026 40.782 40.800 0.013 0.000 0.895 427 D HN 0.271 nan 8.370 nan 0.000 0.494 428 I N -1.272 119.373 120.570 0.124 0.000 3.035 428 I HA -0.045 4.125 4.170 -0.000 0.000 0.271 428 I C 1.371 177.637 176.117 0.249 0.000 1.190 428 I CA 0.144 61.542 61.300 0.164 0.000 1.472 428 I CB 0.081 38.173 38.000 0.152 0.000 1.116 428 I HN -0.122 nan 8.210 nan 0.000 0.443 429 F N 1.509 121.497 119.950 0.063 0.000 2.639 429 F HA 0.282 4.809 4.527 -0.000 0.000 0.300 429 F C 1.566 177.400 175.800 0.056 0.000 1.109 429 F CA -0.060 57.975 58.000 0.059 0.000 1.335 429 F CB -0.031 38.991 39.000 0.036 0.000 1.014 429 F HN -0.214 nan 8.300 nan 0.000 0.537 430 R N -0.794 119.836 120.500 0.216 0.000 2.535 430 R HA 0.072 4.412 4.340 -0.000 0.000 0.323 430 R C -0.120 176.229 176.300 0.082 0.000 0.979 430 R CA -0.139 56.030 56.100 0.115 0.000 1.120 430 R CB 0.212 30.587 30.300 0.126 0.000 1.306 430 R HN 0.360 nan 8.270 nan 0.000 0.540 431 Y N 0.460 120.765 120.300 0.009 0.000 2.882 431 Y HA 0.252 4.802 4.550 -0.000 0.000 0.361 431 Y C 0.846 176.717 175.900 -0.048 0.000 1.058 431 Y CA 0.405 58.498 58.100 -0.011 0.000 1.575 431 Y CB 0.192 38.657 38.460 0.008 0.000 1.383 431 Y HN -0.009 nan 8.280 nan 0.000 0.515 432 M N -1.848 117.744 119.600 -0.014 0.000 1.612 432 M HA -0.087 4.393 4.480 -0.000 0.000 0.337 432 M C 1.226 177.396 176.300 -0.215 0.000 0.826 432 M CA 0.412 55.665 55.300 -0.079 0.000 1.128 432 M CB 0.357 32.916 32.600 -0.068 0.000 2.258 432 M HN 0.227 nan 8.290 nan 0.000 0.857 433 Q N 1.134 120.788 119.800 -0.244 0.000 2.349 433 Q HA 0.169 4.509 4.340 -0.000 0.000 0.209 433 Q C 0.512 176.427 176.000 -0.143 0.000 0.920 433 Q CA 0.700 56.342 55.803 -0.268 0.000 0.901 433 Q CB 0.641 29.219 28.738 -0.265 0.000 1.021 433 Q HN 0.369 nan 8.270 nan 0.000 0.519 434 R N -0.322 120.108 120.500 -0.117 0.000 2.831 434 R HA 0.257 4.596 4.340 -0.000 0.000 0.337 434 R C -0.679 175.532 176.300 -0.148 0.000 1.200 434 R CA -0.028 56.010 56.100 -0.103 0.000 1.088 434 R CB 0.745 31.001 30.300 -0.075 0.000 1.397 434 R HN -0.160 nan 8.270 nan 0.000 0.581 435 T N 0.936 115.398 114.554 -0.154 0.000 3.029 435 T HA 0.105 4.455 4.350 -0.000 0.000 0.346 435 T C 1.069 175.712 174.700 -0.094 0.000 1.211 435 T CA -0.278 61.729 62.100 -0.155 0.000 1.009 435 T CB 1.026 69.772 68.868 -0.204 0.000 1.084 435 T HN 0.033 nan 8.240 nan 0.000 0.536 436 V N 3.108 122.973 119.914 -0.082 0.000 3.398 436 V HA -0.039 4.081 4.120 -0.000 0.000 0.275 436 V C 1.522 177.590 176.094 -0.044 0.000 1.207 436 V CA 1.189 63.455 62.300 -0.057 0.000 1.189 436 V CB -0.783 31.011 31.823 -0.049 0.000 0.838 436 V HN 0.700 nan 8.190 nan 0.000 0.546 447 A N 0.033 122.798 122.820 -0.091 0.000 3.115 447 A HA -0.106 4.214 4.320 -0.000 0.000 0.263 447 A C -0.214 177.311 177.584 -0.098 0.000 1.391 447 A CA 0.520 52.495 52.037 -0.104 0.000 0.778 447 A CB -1.607 17.183 19.000 -0.348 0.000 1.034 447 A HN 0.230 nan 8.150 nan 0.000 0.551 448 I N 0.109 120.673 120.570 -0.010 0.000 2.569 448 I HA 0.343 4.513 4.170 -0.000 0.000 0.296 448 I C 0.213 176.370 176.117 0.068 0.000 1.028 448 I CA -1.119 60.202 61.300 0.036 0.000 1.082 448 I CB 1.797 39.843 38.000 0.077 0.000 1.264 448 I HN 0.390 nan 8.210 nan 0.000 0.429 449 N N 4.377 123.110 118.700 0.054 0.000 2.448 449 N HA 0.334 5.074 4.740 -0.000 0.000 0.250 449 N C 0.525 176.072 175.510 0.061 0.000 1.136 449 N CA 0.065 53.147 53.050 0.053 0.000 0.953 449 N CB 1.027 39.531 38.487 0.028 0.000 1.251 449 N HN 0.706 nan 8.380 nan 0.000 0.502 450 A N 4.107 126.998 122.820 0.118 0.000 1.843 450 A HA -0.034 4.286 4.320 -0.000 0.000 0.213 450 A C 1.924 179.574 177.584 0.111 0.000 1.239 450 A CA 1.127 53.266 52.037 0.171 0.000 0.606 450 A CB -0.658 18.594 19.000 0.419 0.000 0.903 450 A HN 0.653 nan 8.150 nan 0.000 0.455 451 K N -0.867 119.615 120.400 0.138 0.000 2.162 451 K HA -0.310 4.010 4.320 -0.000 0.000 0.219 451 K C 1.912 178.529 176.600 0.028 0.000 1.038 451 K CA 2.698 59.033 56.287 0.080 0.000 0.946 451 K CB -1.049 31.495 32.500 0.074 0.000 0.783 451 K HN 0.407 nan 8.250 nan 0.000 0.470 452 T N -0.190 114.367 114.554 0.004 0.000 2.718 452 T HA -0.200 4.150 4.350 -0.000 0.000 0.266 452 T C 1.557 176.226 174.700 -0.051 0.000 1.033 452 T CA 1.667 63.747 62.100 -0.033 0.000 1.151 452 T CB -0.136 68.703 68.868 -0.047 0.000 0.853 452 T HN 0.221 nan 8.240 nan 0.000 0.466 453 I N 0.585 121.121 120.570 -0.058 0.000 2.260 453 I HA -0.013 4.157 4.170 -0.000 0.000 0.237 453 I C 2.733 178.832 176.117 -0.029 0.000 1.075 453 I CA 1.344 62.592 61.300 -0.088 0.000 1.376 453 I CB -1.631 36.293 38.000 -0.127 0.000 1.107 453 I HN 0.222 nan 8.210 nan 0.000 0.420 454 T N 0.938 115.491 114.554 -0.002 0.000 2.685 454 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 454 T C 1.934 176.664 174.700 0.050 0.000 1.034 454 T CA 2.210 64.333 62.100 0.038 0.000 1.149 454 T CB -0.302 68.612 68.868 0.076 0.000 0.860 454 T HN 0.510 nan 8.240 nan 0.000 0.449 455 S N 0.497 116.222 115.700 0.042 0.000 2.458 455 S HA 0.178 4.648 4.470 -0.000 0.000 0.223 455 S C 2.251 176.895 174.600 0.073 0.000 1.019 455 S CA 0.694 58.932 58.200 0.062 0.000 0.937 455 S CB -0.319 62.908 63.200 0.046 0.000 0.788 455 S HN 0.478 nan 8.310 nan 0.000 0.511 456 G N 1.085 109.901 108.800 0.026 0.000 2.744 456 G HA2 0.222 4.182 3.960 -0.000 0.000 0.211 456 G HA3 0.222 4.182 3.960 -0.000 0.000 0.211 456 G C 1.219 176.146 174.900 0.045 0.000 1.143 456 G CA 0.194 45.316 45.100 0.037 0.000 0.788 456 G HN 0.463 nan 8.290 nan 0.000 0.534 457 L N -0.511 120.733 121.223 0.034 0.000 2.062 457 L HA 0.134 4.474 4.340 -0.000 0.000 0.202 457 L C 2.677 179.540 176.870 -0.011 0.000 1.079 457 L CA 1.044 55.890 54.840 0.010 0.000 0.755 457 L CB -0.403 41.687 42.059 0.051 0.000 0.913 457 L HN 0.134 nan 8.230 nan 0.000 0.445 458 K N -0.232 120.184 120.400 0.028 0.000 2.001 458 K HA -0.347 3.972 4.320 -0.000 0.000 0.223 458 K C 2.224 178.847 176.600 0.038 0.000 1.055 458 K CA 2.532 58.841 56.287 0.036 0.000 0.965 458 K CB -0.627 31.918 32.500 0.075 0.000 0.730 458 K HN 0.121 nan 8.250 nan 0.000 0.449 459 Y N 0.298 120.568 120.300 -0.051 0.000 2.062 459 Y HA -0.380 4.170 4.550 -0.000 0.000 0.273 459 Y C 1.949 177.784 175.900 -0.109 0.000 1.206 459 Y CA 2.498 60.561 58.100 -0.062 0.000 1.125 459 Y CB -0.656 37.763 38.460 -0.068 0.000 0.951 459 Y HN 0.264 nan 8.280 nan 0.000 0.501 460 A N -0.858 121.829 122.820 -0.223 0.000 1.930 460 A HA -0.018 4.302 4.320 -0.000 0.000 0.215 460 A C 1.944 179.352 177.584 -0.293 0.000 1.176 460 A CA 1.246 52.986 52.037 -0.495 0.000 0.632 460 A CB -0.848 17.615 19.000 -0.896 0.000 0.819 460 A HN 0.449 nan 8.150 nan 0.000 0.445 461 L N -0.299 120.840 121.223 -0.140 0.000 2.191 461 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 461 L C 2.767 179.610 176.870 -0.045 0.000 1.103 461 L CA 1.699 56.532 54.840 -0.012 0.000 0.769 461 L CB -0.686 41.337 42.059 -0.061 0.000 0.908 461 L HN 0.402 nan 8.230 nan 0.000 0.438 462 A N -1.274 121.465 122.820 -0.135 0.000 1.935 462 A HA -0.074 4.246 4.320 -0.000 0.000 0.214 462 A C 2.292 179.769 177.584 -0.179 0.000 1.178 462 A CA 1.611 53.571 52.037 -0.127 0.000 0.640 462 A CB -0.653 18.277 19.000 -0.116 0.000 0.825 462 A HN 0.448 nan 8.150 nan 0.000 0.447 463 T N -3.124 111.232 114.554 -0.331 0.000 2.976 463 T HA 0.375 4.725 4.350 -0.000 0.000 0.257 463 T C 1.524 176.153 174.700 -0.120 0.000 1.051 463 T CA 1.017 62.938 62.100 -0.299 0.000 1.141 463 T CB -0.160 68.385 68.868 -0.539 0.000 0.881 463 T HN 1.531 nan 8.240 nan 0.000 0.461 464 G N 1.965 110.750 108.800 -0.025 0.000 2.132 464 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.234 464 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.234 464 G C -0.238 174.762 174.900 0.166 0.000 0.989 464 G CA -0.250 44.922 45.100 0.122 0.000 0.676 464 G HN 0.613 nan 8.290 nan 0.000 0.522 465 N N 0.057 118.779 118.700 0.037 0.000 2.469 465 N HA 0.473 5.213 4.740 -0.000 0.000 0.239 465 N C 0.353 175.862 175.510 -0.002 0.000 1.053 465 N CA -0.607 52.458 53.050 0.025 0.000 0.937 465 N CB 0.638 39.087 38.487 -0.064 0.000 1.163 465 N HN 0.381 nan 8.380 nan 0.000 0.509 466 W N 0.997 122.317 121.300 0.035 0.000 5.574 466 W HA 0.166 4.826 4.660 -0.000 0.000 0.161 466 W C 0.494 177.033 176.519 0.034 0.000 2.152 466 W CA 0.158 57.525 57.345 0.036 0.000 1.951 466 W CB -0.036 29.433 29.460 0.014 0.000 0.653 466 W HN 0.365 nan 8.180 nan 0.000 1.116 478 G N -0.869 107.970 108.800 0.065 0.000 2.159 478 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.227 478 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.227 478 G C 0.876 175.793 174.900 0.029 0.000 0.986 478 G CA 0.690 45.815 45.100 0.041 0.000 0.651 478 G HN 1.147 nan 8.290 nan 0.000 0.523 479 V N 0.063 120.000 119.914 0.037 0.000 2.871 479 V HA 0.289 4.409 4.120 -0.000 0.000 0.256 479 V C 1.502 177.573 176.094 -0.038 0.000 1.082 479 V CA 2.044 64.317 62.300 -0.045 0.000 1.105 479 V CB 0.778 32.553 31.823 -0.081 0.000 0.713 479 V HN 0.683 nan 8.190 nan 0.000 0.473 480 S N -0.616 115.113 115.700 0.047 0.000 2.526 480 S HA 0.674 5.144 4.470 -0.000 0.000 0.293 480 S C -0.841 173.780 174.600 0.035 0.000 1.092 480 S CA -0.608 57.617 58.200 0.042 0.000 0.980 480 S CB 1.632 64.895 63.200 0.105 0.000 1.048 480 S HN 0.470 nan 8.310 nan 0.000 0.483 481 Q N 1.486 121.298 119.800 0.020 0.000 2.615 481 Q HA 0.537 4.877 4.340 -0.000 0.000 0.298 481 Q C -1.294 174.721 176.000 0.026 0.000 1.023 481 Q CA -1.191 54.639 55.803 0.045 0.000 0.768 481 Q CB 1.688 30.506 28.738 0.133 0.000 1.500 481 Q HN 0.521 nan 8.270 nan 0.000 0.441 482 V N 1.745 121.679 119.914 0.033 0.000 2.555 482 V HA 0.077 4.197 4.120 -0.000 0.000 0.286 482 V C -0.046 176.050 176.094 0.002 0.000 1.044 482 V CA -0.433 61.859 62.300 -0.014 0.000 1.026 482 V CB 0.478 32.277 31.823 -0.039 0.000 0.981 482 V HN 0.547 nan 8.190 nan 0.000 0.480 483 L N 5.942 127.103 121.223 -0.103 0.000 2.513 483 L HA 0.140 4.480 4.340 -0.000 0.000 0.272 483 L C 0.681 177.479 176.870 -0.120 0.000 1.187 483 L CA 0.618 55.384 54.840 -0.124 0.000 0.895 483 L CB -0.197 41.660 42.059 -0.335 0.000 1.147 483 L HN 0.639 nan 8.230 nan 0.000 0.483 484 N N 4.172 122.898 118.700 0.043 0.000 2.458 484 N HA 0.021 4.761 4.740 -0.000 0.000 0.258 484 N C 0.152 175.384 175.510 -0.464 0.000 1.219 484 N CA 0.261 53.083 53.050 -0.380 0.000 0.902 484 N CB 0.582 38.882 38.487 -0.311 0.000 1.076 484 N HN 0.486 nan 8.380 nan 0.000 0.455 485 R N 1.765 121.813 120.500 -0.755 0.000 2.637 485 R HA 0.183 4.523 4.340 -0.000 0.000 0.446 485 R C 0.527 176.443 176.300 -0.639 0.000 1.024 485 R CA -0.189 55.546 56.100 -0.609 0.000 1.080 485 R CB -0.041 29.889 30.300 -0.616 0.000 1.421 485 R HN 0.607 nan 8.270 nan 0.000 0.593 486 Y N -1.520 118.652 120.300 -0.214 0.000 2.097 486 Y HA -0.060 4.489 4.550 -0.000 0.000 0.282 486 Y C 1.149 177.033 175.900 -0.027 0.000 1.152 486 Y CA 0.773 58.786 58.100 -0.146 0.000 1.136 486 Y CB 0.250 38.659 38.460 -0.085 0.000 0.975 486 Y HN -0.077 nan 8.280 nan 0.000 0.498 487 T N -2.764 111.940 114.554 0.249 0.000 2.864 487 T HA 0.136 4.486 4.350 -0.000 0.000 0.299 487 T C -0.205 174.632 174.700 0.230 0.000 1.166 487 T CA -0.766 61.480 62.100 0.244 0.000 1.007 487 T CB 1.160 70.149 68.868 0.202 0.000 1.219 487 T HN 0.083 nan 8.240 nan 0.000 0.506 488 Y N 2.062 122.426 120.300 0.106 0.000 2.165 488 Y HA -0.149 4.401 4.550 -0.000 0.000 0.286 488 Y C 2.619 178.562 175.900 0.072 0.000 1.155 488 Y CA 2.676 60.816 58.100 0.067 0.000 1.164 488 Y CB -0.244 38.206 38.460 -0.016 0.000 0.978 488 Y HN 0.638 nan 8.280 nan 0.000 0.513 489 S N -1.256 114.509 115.700 0.108 0.000 2.461 489 S HA -0.131 4.339 4.470 -0.000 0.000 0.228 489 S C 2.110 176.714 174.600 0.006 0.000 1.005 489 S CA 0.715 58.930 58.200 0.024 0.000 0.942 489 S CB -0.964 62.320 63.200 0.139 0.000 0.776 489 S HN 0.552 nan 8.310 nan 0.000 0.514 490 S N 1.799 117.530 115.700 0.051 0.000 2.423 490 S HA -0.122 4.348 4.470 -0.000 0.000 0.231 490 S C 1.771 176.364 174.600 -0.012 0.000 1.014 490 S CA 1.407 59.634 58.200 0.046 0.000 0.965 490 S CB -1.377 61.919 63.200 0.160 0.000 0.785 490 S HN 0.533 nan 8.310 nan 0.000 0.495 491 T N 2.941 117.450 114.554 -0.075 0.000 2.777 491 T HA 0.147 4.497 4.350 -0.000 0.000 0.266 491 T C 1.717 176.344 174.700 -0.122 0.000 1.040 491 T CA 1.376 63.408 62.100 -0.113 0.000 1.141 491 T CB -0.467 68.304 68.868 -0.161 0.000 0.868 491 T HN 0.319 nan 8.240 nan 0.000 0.444 492 L N 1.001 122.102 121.223 -0.203 0.000 2.093 492 L HA -0.068 4.271 4.340 -0.000 0.000 0.208 492 L C 2.879 179.714 176.870 -0.059 0.000 1.085 492 L CA 1.019 55.761 54.840 -0.163 0.000 0.755 492 L CB -0.617 41.324 42.059 -0.197 0.000 0.904 492 L HN 0.289 nan 8.230 nan 0.000 0.435 493 S N -1.044 114.636 115.700 -0.034 0.000 2.383 493 S HA -0.299 4.171 4.470 -0.000 0.000 0.229 493 S C 2.013 176.650 174.600 0.060 0.000 1.030 493 S CA 1.490 59.692 58.200 0.003 0.000 1.002 493 S CB -0.393 62.807 63.200 -0.000 0.000 0.829 493 S HN 0.557 nan 8.310 nan 0.000 0.467 494 H N -0.201 118.830 119.070 -0.065 0.000 2.395 494 H HA 0.144 4.700 4.556 -0.000 0.000 0.299 494 H C 1.665 176.958 175.328 -0.059 0.000 1.070 494 H CA 1.157 57.167 56.048 -0.063 0.000 1.356 494 H CB -0.012 29.698 29.762 -0.087 0.000 1.401 494 H HN 0.360 nan 8.280 nan 0.000 0.524 495 L N 0.319 121.530 121.223 -0.019 0.000 2.622 495 L HA -0.009 4.331 4.340 -0.000 0.000 0.233 495 L C 1.337 178.185 176.870 -0.038 0.000 1.156 495 L CA 0.682 55.478 54.840 -0.073 0.000 0.866 495 L CB 0.138 42.165 42.059 -0.054 0.000 0.980 495 L HN 0.160 nan 8.230 nan 0.000 0.448 496 R N -0.919 119.577 120.500 -0.007 0.000 2.616 496 R HA 0.195 4.535 4.340 -0.000 0.000 0.427 496 R C 0.375 176.679 176.300 0.005 0.000 1.030 496 R CA -0.271 55.824 56.100 -0.008 0.000 1.133 496 R CB 0.698 30.994 30.300 -0.008 0.000 1.444 496 R HN 0.109 nan 8.270 nan 0.000 0.578 497 R N -0.014 120.500 120.500 0.024 0.000 2.577 497 R HA 0.283 4.623 4.340 -0.000 0.000 0.269 497 R C -0.523 175.788 176.300 0.018 0.000 1.084 497 R CA 0.387 56.508 56.100 0.036 0.000 1.163 497 R CB 1.195 31.553 30.300 0.097 0.000 1.100 497 R HN -0.168 nan 8.270 nan 0.000 0.547 498 T N 0.860 115.430 114.554 0.025 0.000 2.883 498 T HA 0.393 4.743 4.350 -0.000 0.000 0.296 498 T C -1.580 173.136 174.700 0.026 0.000 1.117 498 T CA -0.734 61.380 62.100 0.023 0.000 1.006 498 T CB 1.417 70.313 68.868 0.047 0.000 1.191 498 T HN 0.697 nan 8.240 nan 0.000 0.508 499 N N -0.240 118.470 118.700 0.018 0.000 2.331 499 N HA 0.520 5.260 4.740 -0.000 0.000 0.280 499 N C -1.799 173.723 175.510 0.020 0.000 1.155 499 N CA -0.402 52.660 53.050 0.021 0.000 0.822 499 N CB 2.119 40.610 38.487 0.006 0.000 1.619 499 N HN 0.410 nan 8.380 nan 0.000 0.476 500 T N 3.312 117.883 114.554 0.028 0.000 2.833 500 T HA 0.480 4.829 4.350 -0.000 0.000 0.297 500 T C -2.697 172.013 174.700 0.018 0.000 1.015 500 T CA -0.964 61.152 62.100 0.026 0.000 0.963 500 T CB 1.436 70.331 68.868 0.045 0.000 0.955 500 T HN 0.380 nan 8.240 nan 0.000 0.449 501 P HA 0.459 nan 4.420 nan 0.000 0.271 501 P C 0.097 177.403 177.300 0.009 0.000 1.226 501 P CA -0.241 62.865 63.100 0.011 0.000 0.765 501 P CB 0.304 32.010 31.700 0.010 0.000 0.835 510 K N 0.646 121.041 120.400 -0.009 0.000 3.350 510 K HA 0.268 4.588 4.320 -0.000 0.000 0.181 510 K C -2.239 174.383 176.600 0.037 0.000 1.064 510 K CA -1.059 55.239 56.287 0.018 0.000 0.839 510 K CB 1.540 34.061 32.500 0.035 0.000 0.819 510 K HN 0.206 nan 8.250 nan 0.000 0.523 511 P HA -0.145 nan 4.420 nan 0.000 0.222 511 P C 0.693 178.031 177.300 0.063 0.000 1.147 511 P CA 0.863 63.990 63.100 0.045 0.000 0.790 511 P CB 0.305 32.024 31.700 0.032 0.000 0.780 512 R N -1.423 119.107 120.500 0.049 0.000 2.240 512 R HA 0.066 4.406 4.340 -0.000 0.000 0.203 512 R C 0.982 177.315 176.300 0.054 0.000 1.011 512 R CA 0.197 56.325 56.100 0.047 0.000 1.007 512 R CB -0.082 30.234 30.300 0.027 0.000 0.911 512 R HN 0.202 nan 8.270 nan 0.000 0.468 513 Q N 0.656 120.500 119.800 0.072 0.000 2.368 513 Q HA 0.122 4.462 4.340 -0.000 0.000 0.237 513 Q C -0.818 175.240 176.000 0.096 0.000 0.987 513 Q CA -0.303 55.541 55.803 0.068 0.000 0.896 513 Q CB 0.736 29.522 28.738 0.079 0.000 1.241 513 Q HN 0.001 nan 8.270 nan 0.000 0.485 514 L N 2.395 123.644 121.223 0.044 0.000 2.281 514 L HA 0.255 4.594 4.340 -0.000 0.000 0.285 514 L C -0.897 176.051 176.870 0.131 0.000 1.074 514 L CA 0.011 54.865 54.840 0.025 0.000 0.817 514 L CB 0.355 42.378 42.059 -0.060 0.000 1.168 514 L HN 0.589 nan 8.230 nan 0.000 0.434 515 H N 3.455 122.723 119.070 0.330 0.000 2.472 515 H HA 0.397 4.953 4.556 -0.000 0.000 0.338 515 H C 0.853 176.244 175.328 0.104 0.000 1.133 515 H CA -0.152 55.984 56.048 0.147 0.000 1.216 515 H CB 1.020 30.773 29.762 -0.015 0.000 1.497 515 H HN 0.738 nan 8.280 nan 0.000 0.500 516 N N 1.719 120.060 118.700 -0.598 0.000 2.258 516 N HA -0.177 4.563 4.740 -0.000 0.000 0.187 516 N C 1.002 176.490 175.510 -0.036 0.000 1.012 516 N CA 1.637 54.563 53.050 -0.206 0.000 0.870 516 N CB 0.006 38.334 38.487 -0.266 0.000 0.977 516 N HN 0.727 nan 8.380 nan 0.000 0.434 517 T N -2.041 112.520 114.554 0.012 0.000 3.163 517 T HA -0.024 4.326 4.350 -0.000 0.000 0.260 517 T C 1.130 175.864 174.700 0.057 0.000 1.156 517 T CA 0.627 62.749 62.100 0.038 0.000 1.072 517 T CB -0.206 68.567 68.868 -0.158 0.000 0.937 517 T HN 0.332 nan 8.240 nan 0.000 0.528 518 H N -0.982 118.058 119.070 -0.050 0.000 2.551 518 H HA 0.112 4.668 4.556 -0.000 0.000 0.271 518 H C 0.627 175.904 175.328 -0.085 0.000 0.984 518 H CA -0.566 55.365 56.048 -0.195 0.000 1.164 518 H CB -0.117 29.501 29.762 -0.240 0.000 1.437 518 H HN 0.508 nan 8.280 nan 0.000 0.550 519 W N 2.569 123.861 121.300 -0.013 0.000 2.549 519 W HA -0.006 4.654 4.660 -0.000 0.000 0.343 519 W C 0.763 177.263 176.519 -0.031 0.000 1.278 519 W CA 2.117 59.441 57.345 -0.036 0.000 1.277 519 W CB -0.194 29.243 29.460 -0.039 0.000 1.249 519 W HN 0.547 nan 8.180 nan 0.000 0.572 520 G N 3.819 112.295 108.800 -0.539 0.000 2.241 520 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.244 520 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.244 520 G C 0.675 175.482 174.900 -0.155 0.000 0.998 520 G CA 0.531 45.404 45.100 -0.378 0.000 0.621 520 G HN 0.566 nan 8.290 nan 0.000 0.519 521 L N -1.024 120.140 121.223 -0.098 0.000 2.515 521 L HA 0.520 4.860 4.340 -0.000 0.000 0.202 521 L C 0.976 177.804 176.870 -0.070 0.000 1.056 521 L CA 0.233 55.051 54.840 -0.036 0.000 0.847 521 L CB 0.250 42.362 42.059 0.089 0.000 1.131 521 L HN 0.109 nan 8.230 nan 0.000 0.484 522 V N -0.242 119.594 119.914 -0.131 0.000 2.769 522 V HA 0.255 4.375 4.120 -0.000 0.000 0.312 522 V C -0.634 175.338 176.094 -0.204 0.000 1.061 522 V CA -1.106 61.103 62.300 -0.152 0.000 0.931 522 V CB 2.754 34.459 31.823 -0.197 0.000 1.010 522 V HN 0.307 nan 8.190 nan 0.000 0.433 523 C N 7.143 126.342 119.300 -0.168 0.000 2.593 523 C HA 0.434 4.894 4.460 -0.000 0.000 0.409 523 C C -0.677 174.208 174.990 -0.175 0.000 1.304 523 C CA -1.012 57.911 59.018 -0.158 0.000 2.007 523 C CB 0.770 28.442 27.740 -0.112 0.000 2.614 523 C HN 0.836 nan 8.230 nan 0.000 0.585 524 P HA 0.141 nan 4.420 nan 0.000 0.257 524 P C 0.650 177.886 177.300 -0.107 0.000 1.241 524 P CA 0.917 63.928 63.100 -0.148 0.000 0.816 524 P CB 0.248 31.882 31.700 -0.110 0.000 1.150 525 A N 0.388 123.149 122.820 -0.098 0.000 1.920 525 A HA 0.050 4.370 4.320 -0.000 0.000 0.209 525 A C 1.322 178.866 177.584 -0.066 0.000 1.229 525 A CA 0.245 52.234 52.037 -0.080 0.000 0.671 525 A CB -0.616 18.340 19.000 -0.072 0.000 0.886 525 A HN 0.160 nan 8.150 nan 0.000 0.461 526 E N 0.843 121.003 120.200 -0.067 0.000 1.996 526 E HA 0.394 4.743 4.350 -0.000 0.000 0.280 526 E C -0.966 175.608 176.600 -0.043 0.000 1.092 526 E CA -0.020 56.352 56.400 -0.047 0.000 0.862 526 E CB 0.230 29.903 29.700 -0.045 0.000 1.066 526 E HN 0.204 nan 8.360 nan 0.000 0.396 527 T N 4.642 119.180 114.554 -0.026 0.000 2.923 527 T HA 0.428 4.778 4.350 -0.000 0.000 0.311 527 T C -2.676 172.021 174.700 -0.004 0.000 1.183 527 T CA -1.696 60.393 62.100 -0.018 0.000 1.020 527 T CB 1.385 70.238 68.868 -0.025 0.000 1.165 527 T HN 0.320 nan 8.240 nan 0.000 0.482 528 P HA 0.375 nan 4.420 nan 0.000 0.273 528 P C -0.563 176.738 177.300 0.002 0.000 1.250 528 P CA -0.306 62.791 63.100 -0.006 0.000 0.793 528 P CB 0.697 32.389 31.700 -0.012 0.000 1.011 529 E N -0.999 119.197 120.200 -0.006 0.000 2.254 529 E HA 0.480 4.830 4.350 -0.000 0.000 0.261 529 E C 0.843 177.435 176.600 -0.014 0.000 1.051 529 E CA -0.097 56.299 56.400 -0.007 0.000 0.902 529 E CB 0.344 30.026 29.700 -0.029 0.000 1.168 529 E HN 0.735 nan 8.360 nan 0.000 0.423 530 G N 1.154 109.947 108.800 -0.012 0.000 2.536 530 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.280 530 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.280 530 G C 0.694 175.592 174.900 -0.004 0.000 1.152 530 G CA 0.473 45.567 45.100 -0.010 0.000 0.970 530 G HN 0.543 nan 8.290 nan 0.000 0.549 531 Q N 0.586 120.384 119.800 -0.004 0.000 2.389 531 Q HA 0.494 4.834 4.340 -0.000 0.000 0.204 531 Q C 2.176 178.178 176.000 0.002 0.000 0.944 531 Q CA 2.217 58.020 55.803 -0.001 0.000 0.908 531 Q CB -0.433 28.304 28.738 -0.002 0.000 1.002 531 Q HN 1.646 nan 8.270 nan 0.000 0.493 532 A N 0.228 123.049 122.820 0.001 0.000 2.387 532 A HA 0.168 4.488 4.320 -0.000 0.000 0.234 532 A C 0.491 178.079 177.584 0.007 0.000 1.253 532 A CA -0.306 51.734 52.037 0.005 0.000 0.894 532 A CB -0.377 18.626 19.000 0.005 0.000 0.963 532 A HN 0.408 nan 8.150 nan 0.000 0.508 533 C N 1.119 120.422 119.300 0.006 0.000 2.531 533 C HA 0.372 4.832 4.460 -0.000 0.000 0.401 533 C C 1.905 176.901 174.990 0.010 0.000 1.473 533 C CA 1.450 60.472 59.018 0.007 0.000 1.472 533 C CB -1.952 25.794 27.740 0.009 0.000 2.429 533 C HN 1.464 nan 8.230 nan 0.000 0.620 534 G N 4.414 113.218 108.800 0.006 0.000 2.258 534 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.233 534 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.233 534 G C 0.595 175.513 174.900 0.030 0.000 1.006 534 G CA 0.510 45.618 45.100 0.013 0.000 0.620 534 G HN 0.664 nan 8.290 nan 0.000 0.511 535 L N 0.373 121.612 121.223 0.027 0.000 2.425 535 L HA 0.318 4.658 4.340 -0.000 0.000 0.215 535 L C 1.173 178.065 176.870 0.037 0.000 1.065 535 L CA 0.209 55.071 54.840 0.037 0.000 0.842 535 L CB 0.331 42.406 42.059 0.026 0.000 1.033 535 L HN 0.119 nan 8.230 nan 0.000 0.474 536 V N 1.793 121.721 119.914 0.023 0.000 2.488 536 V HA 0.146 4.266 4.120 -0.000 0.000 0.277 536 V C 0.007 176.109 176.094 0.013 0.000 1.046 536 V CA -0.023 62.289 62.300 0.020 0.000 0.986 536 V CB 0.962 32.793 31.823 0.013 0.000 0.989 536 V HN 0.227 nan 8.190 nan 0.000 0.475 537 K N 3.985 124.397 120.400 0.019 0.000 2.378 537 K HA 0.596 4.916 4.320 -0.000 0.000 0.244 537 K C -1.046 175.553 176.600 -0.001 0.000 1.039 537 K CA -1.023 55.264 56.287 -0.000 0.000 0.863 537 K CB 2.014 34.522 32.500 0.013 0.000 1.326 537 K HN 0.557 nan 8.250 nan 0.000 0.460 538 N N 1.380 120.065 118.700 -0.026 0.000 2.346 538 N HA 0.270 5.010 4.740 -0.000 0.000 0.289 538 N C -0.772 174.717 175.510 -0.034 0.000 1.027 538 N CA -0.597 52.441 53.050 -0.021 0.000 0.864 538 N CB 1.822 40.293 38.487 -0.026 0.000 1.370 538 N HN 0.307 nan 8.380 nan 0.000 0.481 539 L N 1.775 122.987 121.223 -0.019 0.000 2.601 539 L HA -0.019 4.321 4.340 -0.000 0.000 0.277 539 L C 1.171 178.015 176.870 -0.044 0.000 1.219 539 L CA 0.436 55.260 54.840 -0.027 0.000 0.915 539 L CB -0.051 41.995 42.059 -0.022 0.000 1.160 539 L HN 0.453 nan 8.230 nan 0.000 0.494 540 S N 2.889 118.547 115.700 -0.070 0.000 2.572 540 S HA 0.056 4.525 4.470 -0.000 0.000 0.267 540 S C 1.421 175.987 174.600 -0.058 0.000 1.361 540 S CA -0.638 57.509 58.200 -0.089 0.000 1.009 540 S CB 0.711 63.828 63.200 -0.138 0.000 0.888 540 S HN 0.507 nan 8.310 nan 0.000 0.553 541 L N 0.720 121.919 121.223 -0.039 0.000 2.191 541 L HA -0.031 4.309 4.340 -0.000 0.000 0.212 541 L C 1.531 178.427 176.870 0.044 0.000 1.103 541 L CA 1.348 56.212 54.840 0.041 0.000 0.769 541 L CB -0.250 41.865 42.059 0.094 0.000 0.908 541 L HN 0.658 nan 8.230 nan 0.000 0.438 542 M N -1.645 117.866 119.600 -0.150 0.000 2.412 542 M HA 0.119 4.599 4.480 -0.000 0.000 0.315 542 M C 0.436 176.600 176.300 -0.226 0.000 1.092 542 M CA -0.130 54.934 55.300 -0.393 0.000 0.974 542 M CB 0.794 32.892 32.600 -0.836 0.000 1.437 542 M HN -0.008 nan 8.290 nan 0.000 0.524 543 S N 0.137 115.758 115.700 -0.130 0.000 2.600 543 S HA 0.386 4.856 4.470 -0.000 0.000 0.265 543 S C -0.018 174.467 174.600 -0.191 0.000 1.325 543 S CA -0.558 57.558 58.200 -0.141 0.000 1.002 543 S CB 1.273 64.409 63.200 -0.107 0.000 0.921 543 S HN 0.411 nan 8.310 nan 0.000 0.554 544 C N 0.750 119.773 119.300 -0.462 0.000 3.236 544 C HA 0.708 5.167 4.460 -0.000 0.000 0.312 544 C C -0.588 173.929 174.990 -0.787 0.000 1.374 544 C CA -0.727 57.911 59.018 -0.635 0.000 1.455 544 C CB 0.861 28.096 27.740 -0.841 0.000 1.834 544 C HN 0.821 nan 8.230 nan 0.000 0.460 545 I N 1.271 121.537 120.570 -0.506 0.000 2.769 545 I HA 0.378 4.548 4.170 -0.000 0.000 0.298 545 I C 0.142 176.216 176.117 -0.071 0.000 1.128 545 I CA -0.033 61.092 61.300 -0.293 0.000 1.031 545 I CB 2.346 40.253 38.000 -0.156 0.000 1.235 545 I HN 0.781 nan 8.210 nan 0.000 0.423 546 S N 2.973 118.714 115.700 0.068 0.000 2.579 546 S HA 0.210 4.680 4.470 -0.000 0.000 0.275 546 S C 0.381 175.004 174.600 0.037 0.000 1.345 546 S CA -0.678 57.600 58.200 0.131 0.000 1.031 546 S CB 1.746 65.009 63.200 0.105 0.000 0.892 546 S HN 0.440 nan 8.310 nan 0.000 0.529 547 V N 1.529 121.451 119.914 0.013 0.000 3.621 547 V HA 0.378 4.498 4.120 -0.000 0.000 0.285 547 V C 1.214 177.283 176.094 -0.041 0.000 1.346 547 V CA 0.993 63.278 62.300 -0.026 0.000 1.104 547 V CB -0.849 30.949 31.823 -0.041 0.000 0.913 547 V HN 1.443 nan 8.190 nan 0.000 0.432 548 G N 0.389 109.171 108.800 -0.029 0.000 2.757 548 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.686 548 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.686 548 G C -0.260 174.595 174.900 -0.076 0.000 1.452 548 G CA 0.127 45.206 45.100 -0.036 0.000 0.922 548 G HN 0.457 nan 8.290 nan 0.000 0.588 549 T N 0.080 114.600 114.554 -0.058 0.000 2.802 549 T HA 0.525 4.875 4.350 -0.000 0.000 0.311 549 T C -1.329 173.340 174.700 -0.052 0.000 1.405 549 T CA 0.328 62.379 62.100 -0.082 0.000 1.016 549 T CB 1.791 70.614 68.868 -0.074 0.000 1.352 549 T HN 1.125 nan 8.240 nan 0.000 0.498 550 D N 1.465 121.832 120.400 -0.054 0.000 2.168 550 D HA 0.508 5.148 4.640 -0.000 0.000 0.246 550 D C -1.458 174.828 176.300 -0.023 0.000 1.050 550 D CA -2.074 51.908 54.000 -0.030 0.000 0.857 550 D CB 1.742 42.527 40.800 -0.024 0.000 1.169 550 D HN 0.163 nan 8.370 nan 0.000 0.453 551 P HA 0.057 nan 4.420 nan 0.000 0.255 551 P C 1.087 178.374 177.300 -0.021 0.000 1.248 551 P CA 0.359 63.450 63.100 -0.016 0.000 0.807 551 P CB 0.174 31.875 31.700 0.002 0.000 1.150 552 M N 0.799 120.393 119.600 -0.011 0.000 2.175 552 M HA -0.009 4.471 4.480 -0.000 0.000 0.264 552 M C -0.528 175.773 176.300 0.002 0.000 1.063 552 M CA 2.158 57.455 55.300 -0.005 0.000 1.119 552 M CB -1.992 30.611 32.600 0.005 0.000 1.377 552 M HN -0.024 nan 8.290 nan 0.000 0.415 553 P HA -0.077 nan 4.420 nan 0.000 0.219 553 P C 1.364 178.689 177.300 0.042 0.000 1.150 553 P CA 1.381 64.496 63.100 0.027 0.000 0.814 553 P CB -0.183 31.520 31.700 0.005 0.000 0.787 554 I N -0.590 119.977 120.570 -0.006 0.000 2.315 554 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 554 I C 2.452 178.590 176.117 0.036 0.000 1.117 554 I CA 1.079 62.378 61.300 -0.002 0.000 1.404 554 I CB -0.537 37.427 38.000 -0.059 0.000 1.071 554 I HN -0.164 nan 8.210 nan 0.000 0.419 555 I N 0.249 120.795 120.570 -0.040 0.000 2.353 555 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 555 I C 2.493 178.599 176.117 -0.019 0.000 1.119 555 I CA 1.542 62.766 61.300 -0.126 0.000 1.417 555 I CB -1.347 36.540 38.000 -0.188 0.000 1.078 555 I HN 0.226 nan 8.210 nan 0.000 0.421 556 T N 1.148 115.727 114.554 0.041 0.000 2.788 556 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 556 T C 1.740 176.516 174.700 0.127 0.000 1.044 556 T CA 1.308 63.452 62.100 0.072 0.000 1.139 556 T CB -0.419 68.501 68.868 0.085 0.000 0.867 556 T HN 0.257 nan 8.240 nan 0.000 0.454 557 F N 1.569 121.535 119.950 0.027 0.000 2.146 557 F HA 0.040 4.567 4.527 -0.000 0.000 0.298 557 F C 1.793 177.670 175.800 0.128 0.000 1.096 557 F CA 0.964 59.014 58.000 0.082 0.000 1.275 557 F CB -0.387 38.623 39.000 0.016 0.000 1.008 557 F HN 0.034 nan 8.300 nan 0.000 0.480 558 L N 0.060 121.399 121.223 0.194 0.000 2.187 558 L HA -0.235 4.104 4.340 -0.000 0.000 0.213 558 L C 2.402 179.303 176.870 0.052 0.000 1.100 558 L CA 1.604 56.511 54.840 0.112 0.000 0.765 558 L CB -0.829 41.275 42.059 0.076 0.000 0.904 558 L HN 0.292 nan 8.230 nan 0.000 0.437 559 S N -1.945 113.763 115.700 0.012 0.000 2.492 559 S HA 0.005 4.475 4.470 -0.000 0.000 0.218 559 S C 1.580 176.152 174.600 -0.047 0.000 1.016 559 S CA -0.165 58.038 58.200 0.004 0.000 0.916 559 S CB -0.049 63.152 63.200 0.002 0.000 0.791 559 S HN 0.388 nan 8.310 nan 0.000 0.513 560 E N 0.362 120.503 120.200 -0.097 0.000 2.267 560 E HA -0.110 4.240 4.350 -0.000 0.000 0.197 560 E C 0.280 176.697 176.600 -0.304 0.000 0.998 560 E CA 1.037 57.330 56.400 -0.178 0.000 0.830 560 E CB -0.138 29.454 29.700 -0.180 0.000 0.751 560 E HN 0.717 nan 8.360 nan 0.000 0.491 561 W N -0.327 120.765 121.300 -0.347 0.000 3.223 561 W HA 0.302 4.962 4.660 -0.000 0.000 0.389 561 W C 0.999 177.546 176.519 0.048 0.000 1.118 561 W CA 0.517 57.739 57.345 -0.204 0.000 1.902 561 W CB 1.076 30.318 29.460 -0.363 0.000 1.094 561 W HN 0.106 nan 8.180 nan 0.000 0.666 562 G N -0.004 108.845 108.800 0.082 0.000 2.205 562 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.180 562 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.180 562 G C 0.195 175.039 174.900 -0.095 0.000 1.004 562 G CA -0.372 44.695 45.100 -0.055 0.000 0.670 562 G HN 0.114 nan 8.290 nan 0.000 0.496 563 M N 1.449 121.106 119.600 0.095 0.000 2.217 563 M HA 0.541 5.021 4.480 -0.000 0.000 0.354 563 M C -0.041 176.250 176.300 -0.016 0.000 1.225 563 M CA 0.257 55.622 55.300 0.109 0.000 1.137 563 M CB 0.528 33.212 32.600 0.142 0.000 1.576 563 M HN 0.215 nan 8.290 nan 0.000 0.461 564 E N 6.042 126.211 120.200 -0.052 0.000 2.191 564 E HA 0.526 4.876 4.350 -0.000 0.000 0.274 564 E C -2.450 174.104 176.600 -0.078 0.000 0.948 564 E CA -1.936 54.423 56.400 -0.070 0.000 0.802 564 E CB 1.676 31.329 29.700 -0.078 0.000 1.137 564 E HN 0.450 nan 8.360 nan 0.000 0.397 565 P HA 0.071 nan 4.420 nan 0.000 0.284 565 P C 0.321 177.530 177.300 -0.152 0.000 1.258 565 P CA -0.508 62.538 63.100 -0.089 0.000 0.824 565 P CB 1.278 32.951 31.700 -0.045 0.000 1.038 566 L N 2.201 123.282 121.223 -0.238 0.000 1.989 566 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 566 L C 2.504 179.290 176.870 -0.139 0.000 1.071 566 L CA 2.052 56.670 54.840 -0.369 0.000 0.749 566 L CB -1.479 40.290 42.059 -0.483 0.000 0.890 566 L HN 0.490 nan 8.230 nan 0.000 0.431 567 E N -0.811 119.363 120.200 -0.042 0.000 2.136 567 E HA -0.296 4.054 4.350 -0.000 0.000 0.202 567 E C 1.480 178.097 176.600 0.028 0.000 1.019 567 E CA 1.893 58.308 56.400 0.025 0.000 0.819 567 E CB -1.013 28.659 29.700 -0.046 0.000 0.739 567 E HN 0.526 nan 8.360 nan 0.000 0.458 568 D N -0.020 120.376 120.400 -0.006 0.000 2.348 568 D HA -0.093 4.547 4.640 -0.000 0.000 0.216 568 D C 0.333 176.657 176.300 0.040 0.000 0.970 568 D CA 0.353 54.359 54.000 0.010 0.000 0.889 568 D CB -0.416 40.377 40.800 -0.012 0.000 0.912 568 D HN 0.202 nan 8.370 nan 0.000 0.524 569 Y N 1.567 121.802 120.300 -0.108 0.000 2.425 569 Y HA 0.223 4.773 4.550 -0.000 0.000 0.331 569 Y C -0.489 175.400 175.900 -0.018 0.000 1.157 569 Y CA -0.660 57.350 58.100 -0.151 0.000 1.372 569 Y CB 0.628 38.824 38.460 -0.440 0.000 1.253 569 Y HN -0.367 nan 8.280 nan 0.000 0.536 570 V N 9.723 129.489 119.914 -0.247 0.000 2.419 570 V HA 0.213 4.332 4.120 -0.000 0.000 0.287 570 V C -2.141 173.686 176.094 -0.445 0.000 1.017 570 V CA -1.394 60.727 62.300 -0.299 0.000 0.844 570 V CB 1.641 33.357 31.823 -0.178 0.000 1.011 570 V HN 0.663 nan 8.190 nan 0.000 0.429 571 P HA -0.134 nan 4.420 nan 0.000 0.215 571 P C 1.654 178.904 177.300 -0.083 0.000 1.157 571 P CA 1.204 64.116 63.100 -0.313 0.000 0.859 571 P CB 0.019 31.682 31.700 -0.062 0.000 0.786 572 H N -0.085 118.957 119.070 -0.046 0.000 2.489 572 H HA -0.074 4.482 4.556 -0.000 0.000 0.295 572 H C 1.100 176.435 175.328 0.011 0.000 1.082 572 H CA 1.349 57.398 56.048 0.001 0.000 1.295 572 H CB -0.469 29.285 29.762 -0.013 0.000 1.380 572 H HN 0.251 nan 8.280 nan 0.000 0.548 573 Q N 0.762 120.286 119.800 -0.461 0.000 2.317 573 Q HA 0.127 4.466 4.340 -0.000 0.000 0.220 573 Q C 0.108 176.030 176.000 -0.129 0.000 0.873 573 Q CA 0.401 56.004 55.803 -0.334 0.000 0.936 573 Q CB 1.091 29.610 28.738 -0.364 0.000 1.105 573 Q HN 0.427 nan 8.270 nan 0.000 0.520 574 S N 0.341 116.011 115.700 -0.050 0.000 2.158 574 S HA 0.261 4.731 4.470 -0.000 0.000 0.160 574 S C -2.231 172.437 174.600 0.114 0.000 1.693 574 S CA -1.109 57.118 58.200 0.046 0.000 1.251 574 S CB 1.025 64.269 63.200 0.074 0.000 1.153 574 S HN -0.015 nan 8.310 nan 0.000 0.439 575 P HA -0.012 nan 4.420 nan 0.000 0.221 575 P C 0.167 177.529 177.300 0.102 0.000 1.150 575 P CA 0.995 64.162 63.100 0.112 0.000 0.800 575 P CB 0.061 31.814 31.700 0.087 0.000 0.787 576 D N -0.133 120.311 120.400 0.074 0.000 2.324 576 D HA 0.191 4.831 4.640 -0.000 0.000 0.235 576 D C 0.731 177.063 176.300 0.053 0.000 1.095 576 D CA 0.104 54.139 54.000 0.059 0.000 0.871 576 D CB -0.301 40.526 40.800 0.045 0.000 0.906 576 D HN 0.155 nan 8.370 nan 0.000 0.522 577 A N -0.106 122.751 122.820 0.062 0.000 2.354 577 A HA 0.441 4.761 4.320 -0.000 0.000 0.269 577 A C 0.499 178.075 177.584 -0.012 0.000 1.109 577 A CA -0.212 51.839 52.037 0.022 0.000 0.800 577 A CB 0.573 19.567 19.000 -0.009 0.000 1.045 577 A HN 0.004 nan 8.150 nan 0.000 0.489 578 T N 3.074 117.628 114.554 0.000 0.000 2.743 578 T HA 0.327 4.677 4.350 -0.000 0.000 0.293 578 T C 0.290 174.964 174.700 -0.044 0.000 0.945 578 T CA -0.141 61.952 62.100 -0.013 0.000 1.030 578 T CB 0.203 69.080 68.868 0.015 0.000 0.912 578 T HN 0.613 nan 8.240 nan 0.000 0.483 579 R N 2.136 122.571 120.500 -0.108 0.000 2.390 579 R HA 0.490 4.830 4.340 -0.000 0.000 0.291 579 R C -0.735 175.494 176.300 -0.120 0.000 1.070 579 R CA -0.544 55.433 56.100 -0.204 0.000 1.014 579 R CB 0.828 30.766 30.300 -0.603 0.000 1.007 579 R HN 0.325 nan 8.270 nan 0.000 0.466 580 V N 5.051 124.924 119.914 -0.068 0.000 2.384 580 V HA 0.407 4.527 4.120 -0.000 0.000 0.287 580 V C -0.764 175.312 176.094 -0.029 0.000 1.020 580 V CA -0.500 61.808 62.300 0.013 0.000 0.850 580 V CB 0.964 32.813 31.823 0.044 0.000 0.987 580 V HN 0.517 nan 8.190 nan 0.000 0.436 581 F N 3.465 123.415 119.950 0.001 0.000 2.546 581 F HA 0.784 5.311 4.527 -0.000 0.000 0.320 581 F C -0.085 175.706 175.800 -0.015 0.000 1.076 581 F CA -0.899 57.124 58.000 0.038 0.000 0.928 581 F CB 2.291 41.251 39.000 -0.066 0.000 1.189 581 F HN 0.147 nan 8.300 nan 0.000 0.465 582 V N 2.687 122.739 119.914 0.230 0.000 2.668 582 V HA 0.267 4.387 4.120 -0.000 0.000 0.304 582 V C -0.456 175.690 176.094 0.086 0.000 1.071 582 V CA -1.407 60.933 62.300 0.066 0.000 0.894 582 V CB 1.711 33.573 31.823 0.064 0.000 1.008 582 V HN 0.800 nan 8.190 nan 0.000 0.425 583 N N 3.871 122.540 118.700 -0.051 0.000 2.693 583 N HA -0.247 4.493 4.740 -0.000 0.000 0.250 583 N C 1.198 176.841 175.510 0.220 0.000 1.033 583 N CA 1.836 54.951 53.050 0.108 0.000 0.747 583 N CB -0.830 37.743 38.487 0.143 0.000 0.964 583 N HN 1.569 nan 8.380 nan 0.000 0.540 584 G N -3.357 105.587 108.800 0.239 0.000 2.213 584 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.226 584 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.226 584 G C -0.059 175.148 174.900 0.512 0.000 0.992 584 G CA 0.102 45.427 45.100 0.374 0.000 0.632 584 G HN 0.421 nan 8.290 nan 0.000 0.511 585 V N 1.270 121.379 119.914 0.325 0.000 2.432 585 V HA 0.492 4.611 4.120 -0.000 0.000 0.275 585 V C 0.460 176.608 176.094 0.091 0.000 1.043 585 V CA -0.745 61.597 62.300 0.071 0.000 0.925 585 V CB 1.248 32.955 31.823 -0.194 0.000 0.985 585 V HN 0.330 nan 8.190 nan 0.000 0.466 586 W N 5.777 126.958 121.300 -0.199 0.000 2.605 586 W HA 0.239 4.899 4.660 -0.000 0.000 0.327 586 W C 1.052 177.350 176.519 -0.368 0.000 1.332 586 W CA -0.527 56.453 57.345 -0.609 0.000 1.403 586 W CB -0.307 28.818 29.460 -0.559 0.000 1.452 586 W HN 0.719 nan 8.180 nan 0.000 0.503 587 H N 3.090 122.151 119.070 -0.015 0.000 2.497 587 H HA 0.157 4.713 4.556 -0.000 0.000 0.282 587 H C 1.248 176.466 175.328 -0.183 0.000 1.003 587 H CA 1.384 57.382 56.048 -0.082 0.000 1.307 587 H CB 0.805 30.548 29.762 -0.031 0.000 1.437 587 H HN 0.549 nan 8.280 nan 0.000 0.544 588 G N -0.154 108.619 108.800 -0.044 0.000 2.539 588 G HA2 0.271 4.231 3.960 -0.000 0.000 0.138 588 G HA3 0.271 4.231 3.960 -0.000 0.000 0.138 588 G C -1.587 173.284 174.900 -0.048 0.000 1.148 588 G CA 0.009 44.951 45.100 -0.262 0.000 1.057 588 G HN 0.092 nan 8.290 nan 0.000 0.511 589 V N 0.263 120.106 119.914 -0.118 0.000 2.888 589 V HA 0.781 4.900 4.120 -0.000 0.000 0.309 589 V C -1.568 174.526 176.094 0.001 0.000 1.114 589 V CA -0.532 61.685 62.300 -0.138 0.000 0.940 589 V CB 2.147 33.702 31.823 -0.446 0.000 1.021 589 V HN 1.066 nan 8.190 nan 0.000 0.426 590 H N 3.455 122.485 119.070 -0.068 0.000 2.865 590 H HA 0.586 5.142 4.556 -0.000 0.000 0.362 590 H C 0.322 175.642 175.328 -0.012 0.000 1.114 590 H CA -0.616 55.418 56.048 -0.023 0.000 1.208 590 H CB 2.007 31.771 29.762 0.003 0.000 1.727 590 H HN 0.533 nan 8.280 nan 0.000 0.534 591 R N 1.728 122.270 120.500 0.070 0.000 2.254 591 R HA 0.190 4.530 4.340 -0.000 0.000 0.193 591 R C -0.117 176.275 176.300 0.152 0.000 0.929 591 R CA 0.114 56.257 56.100 0.071 0.000 1.038 591 R CB 0.515 30.796 30.300 -0.031 0.000 1.009 591 R HN 0.474 nan 8.270 nan 0.000 0.512 592 N N 1.982 120.875 118.700 0.323 0.000 3.112 592 N HA 0.121 4.861 4.740 -0.000 0.000 0.270 592 N C -2.144 173.494 175.510 0.214 0.000 1.385 592 N CA -1.130 52.096 53.050 0.293 0.000 0.986 592 N CB 1.438 40.062 38.487 0.230 0.000 1.261 592 N HN 0.031 nan 8.380 nan 0.000 0.495 593 P HA -0.132 nan 4.420 nan 0.000 0.219 593 P C 1.058 178.317 177.300 -0.068 0.000 1.146 593 P CA 0.913 63.949 63.100 -0.107 0.000 0.808 593 P CB 0.454 32.132 31.700 -0.038 0.000 0.779 594 A N -0.529 122.295 122.820 0.006 0.000 2.067 594 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 594 A C 2.344 179.931 177.584 0.004 0.000 1.156 594 A CA 0.713 52.748 52.037 -0.002 0.000 0.683 594 A CB -0.801 18.207 19.000 0.013 0.000 0.808 594 A HN 0.001 nan 8.150 nan 0.000 0.455 595 R N -0.791 119.739 120.500 0.050 0.000 2.075 595 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 595 R C 2.007 178.307 176.300 -0.001 0.000 1.126 595 R CA 1.364 57.519 56.100 0.092 0.000 0.963 595 R CB -0.589 29.874 30.300 0.273 0.000 0.858 595 R HN 0.518 nan 8.270 nan 0.000 0.435 596 L N -0.169 121.017 121.223 -0.063 0.000 2.017 596 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 596 L C 2.069 178.817 176.870 -0.204 0.000 1.073 596 L CA 1.815 56.537 54.840 -0.197 0.000 0.745 596 L CB -0.473 41.341 42.059 -0.408 0.000 0.894 596 L HN 0.162 nan 8.230 nan 0.000 0.432 597 M N 0.087 119.597 119.600 -0.150 0.000 2.082 597 M HA -0.271 4.209 4.480 -0.000 0.000 0.258 597 M C 2.044 178.275 176.300 -0.115 0.000 1.069 597 M CA 2.226 57.458 55.300 -0.114 0.000 1.102 597 M CB -0.458 32.096 32.600 -0.076 0.000 1.336 597 M HN 0.493 nan 8.290 nan 0.000 0.404 598 E N -2.127 118.012 120.200 -0.101 0.000 2.072 598 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 598 E C 1.858 178.371 176.600 -0.146 0.000 0.985 598 E CA 1.808 58.155 56.400 -0.089 0.000 0.801 598 E CB -0.560 29.113 29.700 -0.044 0.000 0.750 598 E HN 0.480 nan 8.360 nan 0.000 0.452 599 T N 1.600 116.013 114.554 -0.236 0.000 2.735 599 T HA -0.033 4.317 4.350 -0.000 0.000 0.256 599 T C 1.976 176.474 174.700 -0.338 0.000 1.042 599 T CA 0.612 62.508 62.100 -0.342 0.000 1.147 599 T CB -0.339 68.112 68.868 -0.694 0.000 0.865 599 T HN 0.034 nan 8.240 nan 0.000 0.421 600 L N 0.810 121.834 121.223 -0.333 0.000 2.010 600 L HA -0.292 4.048 4.340 -0.000 0.000 0.219 600 L C 2.866 179.600 176.870 -0.227 0.000 1.077 600 L CA 1.793 56.448 54.840 -0.308 0.000 0.773 600 L CB -0.577 41.355 42.059 -0.213 0.000 0.892 600 L HN 0.267 nan 8.230 nan 0.000 0.436 601 R N -1.039 119.364 120.500 -0.162 0.000 2.073 601 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 601 R C 2.183 178.403 176.300 -0.134 0.000 1.134 601 R CA 1.830 57.857 56.100 -0.122 0.000 0.952 601 R CB -0.921 29.330 30.300 -0.080 0.000 0.850 601 R HN 0.293 nan 8.270 nan 0.000 0.433 602 T N 1.594 116.064 114.554 -0.140 0.000 2.849 602 T HA -0.087 4.263 4.350 -0.000 0.000 0.270 602 T C 1.784 176.403 174.700 -0.136 0.000 1.066 602 T CA 1.015 63.043 62.100 -0.120 0.000 1.130 602 T CB -0.083 68.720 68.868 -0.108 0.000 0.864 602 T HN 0.138 nan 8.240 nan 0.000 0.481 603 L N 0.034 121.143 121.223 -0.191 0.000 2.095 603 L HA 0.079 4.419 4.340 -0.000 0.000 0.204 603 L C 2.906 179.671 176.870 -0.175 0.000 1.080 603 L CA 0.929 55.644 54.840 -0.208 0.000 0.759 603 L CB -0.303 41.554 42.059 -0.337 0.000 0.914 603 L HN 0.050 nan 8.230 nan 0.000 0.439 604 R N 0.631 121.029 120.500 -0.171 0.000 2.148 604 R HA -0.078 4.262 4.340 -0.000 0.000 0.223 604 R C 2.111 178.341 176.300 -0.118 0.000 1.088 604 R CA 0.789 56.808 56.100 -0.135 0.000 0.985 604 R CB 0.014 30.242 30.300 -0.118 0.000 0.880 604 R HN 0.321 nan 8.270 nan 0.000 0.451 605 R N 0.256 120.687 120.500 -0.114 0.000 2.341 605 R HA -0.102 4.238 4.340 -0.000 0.000 0.213 605 R C 1.989 178.222 176.300 -0.111 0.000 1.082 605 R CA 1.103 57.134 56.100 -0.114 0.000 1.017 605 R CB 0.005 30.244 30.300 -0.102 0.000 0.860 605 R HN 0.153 nan 8.270 nan 0.000 0.473 606 K N -0.890 119.448 120.400 -0.103 0.000 2.425 606 K HA 0.043 4.363 4.320 -0.000 0.000 0.201 606 K C 0.726 177.275 176.600 -0.084 0.000 1.128 606 K CA 0.932 57.167 56.287 -0.088 0.000 1.000 606 K CB 1.053 33.507 32.500 -0.077 0.000 0.961 606 K HN 0.148 nan 8.250 nan 0.000 0.555 607 G N 1.631 110.374 108.800 -0.094 0.000 2.168 607 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.197 607 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.197 607 G C 0.160 175.007 174.900 -0.089 0.000 0.997 607 G CA 0.300 45.349 45.100 -0.084 0.000 0.658 607 G HN 0.352 nan 8.290 nan 0.000 0.513 608 D N 0.125 120.461 120.400 -0.107 0.000 2.144 608 D HA 0.102 4.741 4.640 -0.000 0.000 0.200 608 D C 1.430 177.648 176.300 -0.137 0.000 0.978 608 D CA 0.875 54.805 54.000 -0.117 0.000 0.833 608 D CB 0.274 40.993 40.800 -0.136 0.000 0.961 608 D HN 0.576 nan 8.370 nan 0.000 0.470 609 I N 0.735 121.212 120.570 -0.155 0.000 2.460 609 I HA 0.080 4.250 4.170 -0.000 0.000 0.298 609 I C 0.533 176.585 176.117 -0.110 0.000 0.989 609 I CA -0.856 60.354 61.300 -0.151 0.000 1.173 609 I CB 1.675 39.563 38.000 -0.186 0.000 1.338 609 I HN -0.135 nan 8.210 nan 0.000 0.456 610 N N 6.497 125.143 118.700 -0.090 0.000 2.441 610 N HA 0.037 4.777 4.740 -0.000 0.000 0.251 610 N C -1.936 173.539 175.510 -0.059 0.000 1.242 610 N CA -0.880 52.129 53.050 -0.067 0.000 0.898 610 N CB 1.449 39.899 38.487 -0.063 0.000 1.100 610 N HN 0.265 nan 8.380 nan 0.000 0.443 611 P HA -0.121 nan 4.420 nan 0.000 0.226 611 P C 0.588 177.893 177.300 0.007 0.000 1.146 611 P CA 1.123 64.228 63.100 0.007 0.000 0.773 611 P CB 0.112 31.868 31.700 0.094 0.000 0.772 612 E N -0.841 119.311 120.200 -0.080 0.000 2.472 612 E HA 0.048 4.398 4.350 -0.000 0.000 0.196 612 E C 0.099 176.613 176.600 -0.142 0.000 1.033 612 E CA 0.047 56.303 56.400 -0.240 0.000 0.886 612 E CB 0.037 29.586 29.700 -0.252 0.000 0.944 612 E HN -0.080 nan 8.360 nan 0.000 0.492 613 V N 1.885 121.754 119.914 -0.076 0.000 2.843 613 V HA 0.053 4.173 4.120 -0.000 0.000 0.305 613 V C 0.406 176.491 176.094 -0.015 0.000 1.065 613 V CA 0.248 62.528 62.300 -0.034 0.000 1.116 613 V CB 1.278 33.075 31.823 -0.044 0.000 0.968 613 V HN 0.294 nan 8.190 nan 0.000 0.487 614 S N 5.290 121.016 115.700 0.043 0.000 2.500 614 S HA 0.832 5.302 4.470 -0.000 0.000 0.301 614 S C -0.947 173.703 174.600 0.082 0.000 1.092 614 S CA -0.775 57.474 58.200 0.082 0.000 1.030 614 S CB 1.096 64.382 63.200 0.144 0.000 1.031 614 S HN 0.659 nan 8.310 nan 0.000 0.483 615 M N 4.073 123.706 119.600 0.055 0.000 2.255 615 M HA 0.458 4.938 4.480 -0.000 0.000 0.275 615 M C -1.975 174.343 176.300 0.030 0.000 1.050 615 M CA -0.268 55.041 55.300 0.015 0.000 0.978 615 M CB 1.966 34.552 32.600 -0.023 0.000 1.761 615 M HN 0.605 nan 8.290 nan 0.000 0.479 616 I N 2.911 123.498 120.570 0.028 0.000 2.468 616 I HA 0.462 4.632 4.170 -0.000 0.000 0.284 616 I C -0.475 175.650 176.117 0.014 0.000 1.038 616 I CA -0.309 61.014 61.300 0.039 0.000 1.083 616 I CB 1.945 39.984 38.000 0.065 0.000 1.223 616 I HN 0.576 nan 8.210 nan 0.000 0.443 617 R N 3.974 124.480 120.500 0.009 0.000 2.346 617 R HA 0.454 4.794 4.340 -0.000 0.000 0.311 617 R C -1.226 175.076 176.300 0.004 0.000 0.983 617 R CA -0.510 55.589 56.100 -0.001 0.000 0.880 617 R CB 1.166 31.461 30.300 -0.008 0.000 1.100 617 R HN 0.522 nan 8.270 nan 0.000 0.453 618 D N 4.956 125.355 120.400 -0.002 0.000 2.414 618 D HA 0.173 4.813 4.640 -0.000 0.000 0.232 618 D C 0.746 177.046 176.300 0.001 0.000 1.070 618 D CA -0.420 53.581 54.000 0.000 0.000 0.839 618 D CB 1.259 42.053 40.800 -0.010 0.000 1.079 618 D HN 0.630 nan 8.370 nan 0.000 0.521 619 I N 2.855 123.429 120.570 0.006 0.000 2.716 619 I HA -0.072 4.098 4.170 -0.000 0.000 0.259 619 I C 1.757 177.879 176.117 0.008 0.000 1.172 619 I CA 0.484 61.789 61.300 0.007 0.000 1.478 619 I CB 0.322 38.328 38.000 0.009 0.000 1.104 619 I HN 0.249 nan 8.210 nan 0.000 0.439 620 R N -0.428 120.076 120.500 0.007 0.000 2.334 620 R HA 0.051 4.391 4.340 -0.000 0.000 0.212 620 R C 1.458 177.763 176.300 0.009 0.000 0.897 620 R CA 0.134 56.240 56.100 0.009 0.000 1.056 620 R CB 0.097 30.402 30.300 0.008 0.000 1.046 620 R HN 0.030 nan 8.270 nan 0.000 0.513 621 E N 1.448 121.650 120.200 0.004 0.000 2.474 621 E HA 0.048 4.398 4.350 -0.000 0.000 0.194 621 E C -0.376 176.224 176.600 0.001 0.000 1.041 621 E CA 0.162 56.563 56.400 0.002 0.000 0.874 621 E CB 0.149 29.843 29.700 -0.009 0.000 0.914 621 E HN 0.024 nan 8.360 nan 0.000 0.498 622 K N 0.765 121.166 120.400 0.001 0.000 3.077 622 K HA -0.230 4.090 4.320 -0.000 0.000 0.264 622 K C -0.704 175.883 176.600 -0.022 0.000 1.008 622 K CA 0.844 57.129 56.287 -0.004 0.000 0.740 622 K CB -1.295 31.206 32.500 0.001 0.000 1.273 622 K HN 0.239 nan 8.250 nan 0.000 0.477 623 E N 0.165 120.354 120.200 -0.019 0.000 2.312 623 E HA 0.592 4.942 4.350 -0.000 0.000 0.267 623 E C -1.263 175.334 176.600 -0.004 0.000 0.894 623 E CA -1.235 55.156 56.400 -0.016 0.000 0.773 623 E CB 1.763 31.434 29.700 -0.048 0.000 1.241 623 E HN 0.117 nan 8.360 nan 0.000 0.432 624 L N 1.482 122.719 121.223 0.023 0.000 2.482 624 L HA 0.460 4.800 4.340 -0.000 0.000 0.269 624 L C -1.774 175.115 176.870 0.032 0.000 0.967 624 L CA -0.317 54.528 54.840 0.007 0.000 0.851 624 L CB 1.316 43.368 42.059 -0.012 0.000 1.242 624 L HN 0.356 nan 8.230 nan 0.000 0.404 625 K N 6.378 126.767 120.400 -0.018 0.000 2.345 625 K HA 0.701 5.021 4.320 -0.000 0.000 0.255 625 K C -1.288 175.193 176.600 -0.199 0.000 0.934 625 K CA -0.598 55.629 56.287 -0.099 0.000 0.801 625 K CB 2.455 34.883 32.500 -0.119 0.000 1.137 625 K HN 0.597 nan 8.250 nan 0.000 0.424 626 I N 2.695 123.078 120.570 -0.311 0.000 2.689 626 I HA 0.498 4.668 4.170 -0.000 0.000 0.299 626 I C -1.124 174.697 176.117 -0.493 0.000 1.059 626 I CA -0.981 60.142 61.300 -0.294 0.000 1.055 626 I CB 1.585 39.493 38.000 -0.154 0.000 1.243 626 I HN 0.468 nan 8.210 nan 0.000 0.425 627 F N 1.725 121.686 119.950 0.018 0.000 2.557 627 F HA 0.271 4.798 4.527 -0.000 0.000 0.316 627 F C 0.661 176.462 175.800 0.002 0.000 1.141 627 F CA -0.518 57.494 58.000 0.019 0.000 0.922 627 F CB 2.213 41.222 39.000 0.014 0.000 1.194 627 F HN 0.463 nan 8.300 nan 0.000 0.443 628 T N -3.187 111.457 114.554 0.150 0.000 3.043 628 T HA 0.093 4.443 4.350 -0.000 0.000 0.272 628 T C -0.064 174.672 174.700 0.060 0.000 0.990 628 T CA -0.376 61.763 62.100 0.064 0.000 0.897 628 T CB -0.340 68.538 68.868 0.017 0.000 1.111 628 T HN 0.453 nan 8.240 nan 0.000 0.529 629 D N 2.262 122.722 120.400 0.100 0.000 2.362 629 D HA 0.507 5.147 4.640 -0.000 0.000 0.242 629 D C 0.434 176.753 176.300 0.032 0.000 1.132 629 D CA -0.538 53.498 54.000 0.061 0.000 0.907 629 D CB 0.993 41.840 40.800 0.079 0.000 1.195 629 D HN 0.328 nan 8.370 nan 0.000 0.429 630 A N -0.091 122.737 122.820 0.012 0.000 2.267 630 A HA 0.580 4.900 4.320 -0.000 0.000 0.271 630 A C 1.516 179.089 177.584 -0.017 0.000 1.131 630 A CA 0.075 52.111 52.037 -0.001 0.000 0.818 630 A CB -0.461 18.532 19.000 -0.011 0.000 1.118 630 A HN 1.477 nan 8.150 nan 0.000 0.501 631 G N -1.184 107.597 108.800 -0.032 0.000 2.205 631 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.261 631 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.261 631 G C 0.402 175.251 174.900 -0.084 0.000 0.980 631 G CA 0.624 45.686 45.100 -0.064 0.000 0.632 631 G HN 0.857 nan 8.290 nan 0.000 0.533 632 R N 0.108 120.580 120.500 -0.048 0.000 2.340 632 R HA 0.519 4.859 4.340 -0.000 0.000 0.300 632 R C 0.228 176.531 176.300 0.005 0.000 1.069 632 R CA -0.395 55.677 56.100 -0.047 0.000 0.984 632 R CB 1.542 31.833 30.300 -0.015 0.000 1.003 632 R HN 0.101 nan 8.270 nan 0.000 0.459 633 V N 4.564 124.459 119.914 -0.033 0.000 2.617 633 V HA 0.436 4.556 4.120 -0.000 0.000 0.298 633 V C -0.525 175.615 176.094 0.078 0.000 1.048 633 V CA -0.408 61.878 62.300 -0.023 0.000 0.964 633 V CB 0.890 32.744 31.823 0.051 0.000 1.004 633 V HN 0.785 nan 8.190 nan 0.000 0.466 634 Y N 2.304 122.616 120.300 0.019 0.000 2.764 634 Y HA 0.896 5.446 4.550 -0.000 0.000 0.331 634 Y C -0.699 175.223 175.900 0.035 0.000 1.280 634 Y CA -1.882 56.237 58.100 0.031 0.000 1.065 634 Y CB 1.418 39.883 38.460 0.007 0.000 1.319 634 Y HN 0.699 nan 8.280 nan 0.000 0.453 635 R N -0.273 120.430 120.500 0.339 0.000 2.733 635 R HA 0.723 5.062 4.340 -0.000 0.000 0.272 635 R C -3.575 172.927 176.300 0.337 0.000 1.029 635 R CA -1.935 54.310 56.100 0.242 0.000 0.888 635 R CB 2.400 32.739 30.300 0.065 0.000 1.251 635 R HN 0.499 nan 8.270 nan 0.000 0.464 636 P HA 0.516 nan 4.420 nan 0.000 0.296 636 P C -1.046 176.257 177.300 0.004 0.000 1.310 636 P CA -0.721 62.509 63.100 0.216 0.000 0.900 636 P CB 1.872 33.808 31.700 0.393 0.000 1.111 637 L N 1.455 122.659 121.223 -0.031 0.000 2.424 637 L HA 0.496 4.835 4.340 -0.000 0.000 0.258 637 L C 0.110 176.950 176.870 -0.050 0.000 0.995 637 L CA -1.067 53.721 54.840 -0.087 0.000 0.821 637 L CB 1.915 43.971 42.059 -0.006 0.000 1.383 637 L HN 0.272 nan 8.230 nan 0.000 0.410 638 F N 2.076 122.056 119.950 0.051 0.000 2.471 638 F HA 0.255 4.782 4.527 -0.000 0.000 0.353 638 F C 0.587 176.419 175.800 0.053 0.000 1.113 638 F CA -0.477 57.528 58.000 0.008 0.000 1.262 638 F CB 0.802 39.789 39.000 -0.022 0.000 1.146 638 F HN 0.089 nan 8.300 nan 0.000 0.578 639 I N 3.182 123.864 120.570 0.187 0.000 2.499 639 I HA 0.288 4.458 4.170 -0.000 0.000 0.296 639 I C -0.257 175.831 176.117 -0.049 0.000 0.992 639 I CA -0.568 60.714 61.300 -0.030 0.000 1.297 639 I CB 1.524 39.475 38.000 -0.081 0.000 1.410 639 I HN 0.158 nan 8.210 nan 0.000 0.507 640 V N 5.751 125.600 119.914 -0.108 0.000 2.487 640 V HA 0.443 4.563 4.120 -0.000 0.000 0.298 640 V C -0.185 175.872 176.094 -0.061 0.000 1.028 640 V CA -0.513 61.757 62.300 -0.049 0.000 0.860 640 V CB 2.243 34.074 31.823 0.013 0.000 0.991 640 V HN 0.670 nan 8.190 nan 0.000 0.427 641 E N 2.766 122.941 120.200 -0.041 0.000 2.331 641 E HA 0.295 4.645 4.350 -0.000 0.000 0.275 641 E C -1.580 175.012 176.600 -0.013 0.000 0.895 641 E CA -0.603 55.777 56.400 -0.034 0.000 0.753 641 E CB 2.452 32.125 29.700 -0.045 0.000 1.216 641 E HN 0.875 nan 8.360 nan 0.000 0.434 642 D N 2.312 122.711 120.400 -0.002 0.000 2.422 642 D HA 0.248 4.888 4.640 -0.000 0.000 0.227 642 D C 0.057 176.356 176.300 -0.002 0.000 1.190 642 D CA 0.076 54.081 54.000 0.010 0.000 0.905 642 D CB 1.445 42.258 40.800 0.022 0.000 1.034 642 D HN 0.384 nan 8.370 nan 0.000 0.507 643 D N 1.690 122.086 120.400 -0.007 0.000 1.370 643 D HA -0.090 4.550 4.640 -0.000 0.000 0.630 643 D C -1.050 175.243 176.300 -0.013 0.000 1.094 643 D CA 0.337 54.338 54.000 0.002 0.000 0.752 643 D CB -0.545 40.262 40.800 0.012 0.000 3.079 643 D HN 0.463 nan 8.370 nan 0.000 0.225 644 E N 0.953 121.147 120.200 -0.011 0.000 7.387 644 E HA -0.166 4.184 4.350 -0.000 0.000 0.318 644 E C 0.247 176.853 176.600 0.010 0.000 0.824 644 E CA 0.806 57.201 56.400 -0.007 0.000 1.347 644 E CB -0.994 28.691 29.700 -0.025 0.000 0.927 644 E HN 0.421 nan 8.360 nan 0.000 0.269 645 S N 2.949 118.655 115.700 0.010 0.000 4.154 645 S HA -0.338 4.131 4.470 -0.000 0.000 0.538 645 S C 1.225 175.837 174.600 0.021 0.000 1.296 645 S CA 2.139 60.346 58.200 0.011 0.000 3.684 645 S CB -0.857 62.345 63.200 0.002 0.000 1.955 645 S HN 0.621 nan 8.310 nan 0.000 0.461 646 L N 2.654 123.887 121.223 0.016 0.000 4.725 646 L HA 0.030 4.370 4.340 -0.000 0.000 0.275 646 L C 1.851 178.776 176.870 0.092 0.000 1.331 646 L CA 0.686 55.547 54.840 0.036 0.000 0.821 646 L CB -1.861 40.201 42.059 0.005 0.000 1.301 646 L HN 0.953 nan 8.230 nan 0.000 0.408 647 G N -1.523 107.340 108.800 0.105 0.000 4.240 647 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.254 647 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.254 647 G C 0.230 175.257 174.900 0.212 0.000 1.712 647 G CA -0.012 45.184 45.100 0.160 0.000 1.374 647 G HN 0.472 nan 8.290 nan 0.000 0.631 648 H N 1.760 120.841 119.070 0.019 0.000 2.437 648 H HA 0.792 5.348 4.556 -0.000 0.000 0.338 648 H C 0.433 175.778 175.328 0.028 0.000 1.495 648 H CA -0.128 55.936 56.048 0.027 0.000 1.453 648 H CB 0.044 29.832 29.762 0.045 0.000 1.707 648 H HN 0.554 nan 8.280 nan 0.000 0.655 649 K N -0.217 120.302 120.400 0.199 0.000 2.202 649 K HA 0.259 4.579 4.320 -0.000 0.000 0.264 649 K C -0.168 176.434 176.600 0.003 0.000 1.010 649 K CA 0.037 56.373 56.287 0.082 0.000 0.940 649 K CB 0.487 33.059 32.500 0.119 0.000 0.983 649 K HN 0.540 nan 8.250 nan 0.000 0.475 650 E N 1.507 121.684 120.200 -0.038 0.000 2.390 650 E HA 0.235 4.584 4.350 -0.000 0.000 0.280 650 E C -1.532 175.023 176.600 -0.075 0.000 0.992 650 E CA -0.585 55.755 56.400 -0.100 0.000 0.790 650 E CB 0.935 30.530 29.700 -0.175 0.000 1.248 650 E HN 0.359 nan 8.360 nan 0.000 0.447 651 L N 4.670 125.832 121.223 -0.102 0.000 2.462 651 L HA 0.128 4.468 4.340 -0.000 0.000 0.272 651 L C 1.662 178.463 176.870 -0.114 0.000 1.166 651 L CA 0.068 54.833 54.840 -0.126 0.000 0.880 651 L CB 0.350 42.267 42.059 -0.237 0.000 1.142 651 L HN 0.618 nan 8.230 nan 0.000 0.473 652 K N 2.136 122.485 120.400 -0.086 0.000 2.089 652 K HA -0.150 4.170 4.320 -0.000 0.000 0.210 652 K C 0.713 177.279 176.600 -0.058 0.000 1.048 652 K CA 1.161 57.413 56.287 -0.059 0.000 0.926 652 K CB -0.299 32.163 32.500 -0.064 0.000 0.714 652 K HN 0.601 nan 8.250 nan 0.000 0.448 653 V N 1.001 120.824 119.914 -0.151 0.000 3.139 653 V HA 0.083 4.203 4.120 -0.000 0.000 0.307 653 V C 0.496 176.634 176.094 0.073 0.000 1.095 653 V CA -0.244 62.007 62.300 -0.081 0.000 1.160 653 V CB 0.477 32.191 31.823 -0.182 0.000 1.003 653 V HN 0.188 nan 8.190 nan 0.000 0.489 654 R N 1.472 122.163 120.500 0.319 0.000 2.844 654 R HA 0.458 4.797 4.340 -0.000 0.000 0.264 654 R C 0.775 177.101 176.300 0.043 0.000 1.077 654 R CA -0.986 55.155 56.100 0.069 0.000 0.953 654 R CB 0.547 30.837 30.300 -0.017 0.000 1.272 654 R HN 0.565 nan 8.270 nan 0.000 0.447 655 K N 0.650 121.031 120.400 -0.033 0.000 2.211 655 K HA -0.071 4.249 4.320 -0.000 0.000 0.204 655 K C 1.711 178.276 176.600 -0.059 0.000 1.047 655 K CA 1.902 58.172 56.287 -0.029 0.000 0.935 655 K CB -0.276 32.204 32.500 -0.032 0.000 0.728 655 K HN 0.783 nan 8.250 nan 0.000 0.452 656 G N 0.691 109.394 108.800 -0.162 0.000 2.421 656 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 656 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 656 G C 1.267 176.051 174.900 -0.195 0.000 1.143 656 G CA 0.301 45.264 45.100 -0.229 0.000 0.784 656 G HN 0.344 nan 8.290 nan 0.000 0.541 657 H N 0.488 119.520 119.070 -0.064 0.000 2.389 657 H HA 0.012 4.568 4.556 -0.000 0.000 0.299 657 H C 2.588 177.961 175.328 0.075 0.000 1.081 657 H CA 0.822 56.868 56.048 -0.003 0.000 1.345 657 H CB 0.005 29.814 29.762 0.077 0.000 1.393 657 H HN 0.216 nan 8.280 nan 0.000 0.520 658 I N 0.992 121.686 120.570 0.208 0.000 2.493 658 I HA -0.117 4.052 4.170 -0.000 0.000 0.254 658 I C 2.617 178.810 176.117 0.127 0.000 1.160 658 I CA 0.748 62.151 61.300 0.172 0.000 1.445 658 I CB -1.220 36.855 38.000 0.125 0.000 1.086 658 I HN 0.103 nan 8.210 nan 0.000 0.433 659 A N 0.571 123.424 122.820 0.056 0.000 1.968 659 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 659 A C 2.328 179.923 177.584 0.019 0.000 1.169 659 A CA 0.992 53.042 52.037 0.021 0.000 0.638 659 A CB -0.389 18.588 19.000 -0.039 0.000 0.812 659 A HN 0.271 nan 8.150 nan 0.000 0.446 660 K N -0.405 119.980 120.400 -0.025 0.000 2.113 660 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 660 K C 1.784 178.477 176.600 0.155 0.000 1.047 660 K CA 1.378 57.623 56.287 -0.069 0.000 0.928 660 K CB -0.339 31.872 32.500 -0.482 0.000 0.716 660 K HN 0.508 nan 8.250 nan 0.000 0.446 661 L N 0.194 121.568 121.223 0.252 0.000 2.095 661 L HA -0.084 4.256 4.340 -0.000 0.000 0.204 661 L C 2.379 179.376 176.870 0.212 0.000 1.080 661 L CA 0.777 55.794 54.840 0.296 0.000 0.759 661 L CB -0.208 42.022 42.059 0.284 0.000 0.914 661 L HN 0.223 nan 8.230 nan 0.000 0.439 662 M N -0.816 118.884 119.600 0.166 0.000 2.557 662 M HA -0.066 4.414 4.480 -0.000 0.000 0.259 662 M C 2.224 178.599 176.300 0.125 0.000 1.086 662 M CA 1.028 56.416 55.300 0.148 0.000 1.096 662 M CB -0.475 32.198 32.600 0.121 0.000 1.424 662 M HN 0.252 nan 8.290 nan 0.000 0.488 663 A N -0.035 122.841 122.820 0.095 0.000 2.016 663 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 663 A C 2.205 179.883 177.584 0.156 0.000 1.162 663 A CA 1.395 53.475 52.037 0.072 0.000 0.662 663 A CB -0.667 18.347 19.000 0.023 0.000 0.812 663 A HN 0.339 nan 8.150 nan 0.000 0.450 664 T N -0.536 114.118 114.554 0.166 0.000 2.821 664 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 664 T C 1.848 176.659 174.700 0.186 0.000 1.046 664 T CA 1.519 63.724 62.100 0.175 0.000 1.139 664 T CB -0.095 68.886 68.868 0.188 0.000 0.871 664 T HN 0.682 nan 8.240 nan 0.000 0.454 665 E N -0.061 120.259 120.200 0.200 0.000 2.028 665 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 665 E C 1.913 178.640 176.600 0.212 0.000 0.988 665 E CA 0.988 57.505 56.400 0.195 0.000 0.799 665 E CB -0.276 29.547 29.700 0.206 0.000 0.755 665 E HN 0.661 nan 8.360 nan 0.000 0.447 666 Y N 1.516 121.864 120.300 0.081 0.000 2.228 666 Y HA -0.231 4.319 4.550 -0.000 0.000 0.285 666 Y C 0.785 176.718 175.900 0.055 0.000 1.178 666 Y CA 1.395 59.532 58.100 0.063 0.000 1.202 666 Y CB 0.163 38.657 38.460 0.057 0.000 0.974 666 Y HN 0.088 nan 8.280 nan 0.000 0.527 667 Q N 2.404 122.373 119.800 0.283 0.000 3.184 667 Q HA 0.158 4.498 4.340 -0.000 0.000 0.288 667 Q C -1.152 174.892 176.000 0.073 0.000 1.412 667 Q CA 0.103 56.001 55.803 0.159 0.000 0.991 667 Q CB 0.088 28.928 28.738 0.171 0.000 1.688 667 Q HN 0.426 nan 8.270 nan 0.000 0.554 679 Y N 2.534 122.866 120.300 0.055 0.000 2.409 679 Y HA 0.714 5.264 4.550 -0.000 0.000 0.343 679 Y C -0.845 175.095 175.900 0.066 0.000 0.973 679 Y CA -0.199 57.930 58.100 0.049 0.000 1.064 679 Y CB 2.300 40.791 38.460 0.052 0.000 1.207 679 Y HN 0.411 nan 8.280 nan 0.000 0.452 680 T N 5.163 119.579 114.554 -0.230 0.000 2.865 680 T HA 0.052 4.402 4.350 -0.000 0.000 0.294 680 T C 0.281 174.881 174.700 -0.168 0.000 1.119 680 T CA -0.529 61.517 62.100 -0.090 0.000 1.007 680 T CB 0.951 69.788 68.868 -0.051 0.000 1.225 680 T HN 0.905 nan 8.240 nan 0.000 0.515 681 W N 1.329 122.537 121.300 -0.155 0.000 2.290 681 W HA -0.222 4.438 4.660 -0.000 0.000 0.311 681 W C 1.774 178.187 176.519 -0.176 0.000 1.238 681 W CA 2.091 59.343 57.345 -0.154 0.000 1.255 681 W CB -0.310 29.074 29.460 -0.126 0.000 1.145 681 W HN 0.608 nan 8.180 nan 0.000 0.506 682 S N 0.339 116.008 115.700 -0.051 0.000 2.423 682 S HA -0.165 4.305 4.470 -0.000 0.000 0.231 682 S C 1.845 176.269 174.600 -0.293 0.000 1.014 682 S CA 1.549 59.649 58.200 -0.167 0.000 0.965 682 S CB -0.339 62.833 63.200 -0.046 0.000 0.785 682 S HN 0.232 nan 8.310 nan 0.000 0.495 683 S N 2.293 117.785 115.700 -0.346 0.000 2.356 683 S HA -0.029 4.441 4.470 -0.000 0.000 0.223 683 S C 1.799 176.100 174.600 -0.498 0.000 1.032 683 S CA 1.074 59.019 58.200 -0.426 0.000 1.005 683 S CB -0.550 62.238 63.200 -0.687 0.000 0.867 683 S HN 0.425 nan 8.310 nan 0.000 0.449 684 L N 0.965 121.804 121.223 -0.640 0.000 2.187 684 L HA -0.090 4.250 4.340 -0.000 0.000 0.213 684 L C 2.128 178.663 176.870 -0.558 0.000 1.100 684 L CA 0.940 55.429 54.840 -0.585 0.000 0.765 684 L CB -0.717 40.962 42.059 -0.634 0.000 0.904 684 L HN 0.257 nan 8.230 nan 0.000 0.437 685 L N -0.584 120.277 121.223 -0.604 0.000 2.240 685 L HA -0.072 4.268 4.340 -0.000 0.000 0.211 685 L C 2.193 178.897 176.870 -0.278 0.000 1.106 685 L CA 0.480 55.049 54.840 -0.452 0.000 0.793 685 L CB -0.474 41.336 42.059 -0.416 0.000 0.927 685 L HN 0.286 nan 8.230 nan 0.000 0.446 686 N N 0.383 118.945 118.700 -0.230 0.000 2.244 686 N HA -0.153 4.587 4.740 -0.000 0.000 0.183 686 N C 1.345 176.782 175.510 -0.122 0.000 1.016 686 N CA 1.048 54.008 53.050 -0.149 0.000 0.866 686 N CB -0.010 38.407 38.487 -0.117 0.000 0.980 686 N HN 0.408 nan 8.380 nan 0.000 0.430 687 E N -0.356 119.760 120.200 -0.138 0.000 2.476 687 E HA 0.154 4.504 4.350 -0.000 0.000 0.191 687 E C 0.560 177.087 176.600 -0.122 0.000 1.064 687 E CA -0.002 56.339 56.400 -0.098 0.000 0.866 687 E CB 0.011 29.677 29.700 -0.056 0.000 0.952 687 E HN 0.334 nan 8.360 nan 0.000 0.492 688 G N 1.274 109.982 108.800 -0.154 0.000 2.179 688 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.257 688 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.257 688 G C 0.775 175.586 174.900 -0.149 0.000 1.010 688 G CA 0.367 45.382 45.100 -0.142 0.000 0.736 688 G HN 0.315 nan 8.290 nan 0.000 0.513 689 L N -1.566 119.540 121.223 -0.196 0.000 2.270 689 L HA 0.266 4.606 4.340 -0.000 0.000 0.210 689 L C 1.139 177.954 176.870 -0.092 0.000 1.104 689 L CA 0.713 55.451 54.840 -0.171 0.000 0.804 689 L CB -0.062 41.837 42.059 -0.266 0.000 0.937 689 L HN 0.210 nan 8.230 nan 0.000 0.450 690 V N -0.387 119.414 119.914 -0.189 0.000 2.962 690 V HA 0.407 4.527 4.120 -0.000 0.000 0.313 690 V C -0.933 174.998 176.094 -0.270 0.000 1.099 690 V CA -0.613 61.566 62.300 -0.201 0.000 0.971 690 V CB 2.865 34.439 31.823 -0.415 0.000 1.028 690 V HN 0.298 nan 8.190 nan 0.000 0.430 691 E N 2.383 122.465 120.200 -0.196 0.000 2.392 691 E HA 0.465 4.814 4.350 -0.000 0.000 0.279 691 E C -2.150 174.378 176.600 -0.120 0.000 0.964 691 E CA -0.705 55.584 56.400 -0.186 0.000 0.777 691 E CB 1.842 31.527 29.700 -0.025 0.000 1.249 691 E HN 0.568 nan 8.360 nan 0.000 0.449 692 Y N 2.384 122.684 120.300 -0.001 0.000 2.320 692 Y HA 0.440 4.990 4.550 -0.000 0.000 0.334 692 Y C -0.068 175.818 175.900 -0.023 0.000 1.055 692 Y CA -1.018 57.084 58.100 0.003 0.000 1.143 692 Y CB 1.130 39.471 38.460 -0.199 0.000 1.193 692 Y HN 0.367 nan 8.280 nan 0.000 0.477 693 I N 4.262 124.946 120.570 0.189 0.000 2.466 693 I HA 0.141 4.311 4.170 -0.000 0.000 0.289 693 I C -0.390 175.820 176.117 0.155 0.000 1.026 693 I CA -1.262 60.097 61.300 0.098 0.000 1.078 693 I CB 1.377 39.373 38.000 -0.007 0.000 1.249 693 I HN 0.693 nan 8.210 nan 0.000 0.429 694 D N 4.956 125.439 120.400 0.138 0.000 2.466 694 D HA 0.399 5.039 4.640 -0.000 0.000 0.262 694 D C 0.944 177.328 176.300 0.140 0.000 1.177 694 D CA -0.447 53.647 54.000 0.157 0.000 1.035 694 D CB 0.804 41.684 40.800 0.133 0.000 1.105 694 D HN 0.436 nan 8.370 nan 0.000 0.551 695 A N -0.537 122.381 122.820 0.162 0.000 2.019 695 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 695 A C 1.948 179.658 177.584 0.209 0.000 1.164 695 A CA 1.800 53.956 52.037 0.199 0.000 0.644 695 A CB -0.798 18.358 19.000 0.260 0.000 0.805 695 A HN 0.604 nan 8.150 nan 0.000 0.449 696 E N -0.356 119.929 120.200 0.141 0.000 2.140 696 E HA -0.034 4.316 4.350 -0.000 0.000 0.191 696 E C 1.871 178.532 176.600 0.100 0.000 0.973 696 E CA 1.086 57.547 56.400 0.102 0.000 0.829 696 E CB -0.156 29.550 29.700 0.011 0.000 0.781 696 E HN 0.679 nan 8.360 nan 0.000 0.466 697 E N 0.211 120.469 120.200 0.097 0.000 2.274 697 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 697 E C 1.561 178.201 176.600 0.066 0.000 0.996 697 E CA 0.481 56.929 56.400 0.080 0.000 0.840 697 E CB 0.055 29.799 29.700 0.073 0.000 0.772 697 E HN 0.267 nan 8.360 nan 0.000 0.491 698 E N 0.338 120.581 120.200 0.072 0.000 2.267 698 E HA -0.189 4.161 4.350 -0.000 0.000 0.197 698 E C 1.365 178.004 176.600 0.065 0.000 0.998 698 E CA 0.714 57.146 56.400 0.054 0.000 0.830 698 E CB 0.187 29.932 29.700 0.075 0.000 0.751 698 E HN 0.253 nan 8.360 nan 0.000 0.491 699 E N -0.440 119.813 120.200 0.088 0.000 2.482 699 E HA -0.058 4.292 4.350 -0.000 0.000 0.196 699 E C 1.453 178.090 176.600 0.061 0.000 1.047 699 E CA 0.637 57.087 56.400 0.083 0.000 0.869 699 E CB 0.429 30.187 29.700 0.097 0.000 0.836 699 E HN 0.176 nan 8.360 nan 0.000 0.520 700 S N 0.063 115.798 115.700 0.059 0.000 2.554 700 S HA 0.162 4.632 4.470 -0.000 0.000 0.226 700 S C 0.941 175.584 174.600 0.072 0.000 0.980 700 S CA -0.597 57.637 58.200 0.056 0.000 0.939 700 S CB -0.510 62.724 63.200 0.055 0.000 0.832 700 S HN 0.220 nan 8.310 nan 0.000 0.486 701 I N -1.617 118.998 120.570 0.076 0.000 3.205 701 I HA 0.820 4.990 4.170 -0.000 0.000 0.310 701 I C -0.909 175.278 176.117 0.116 0.000 1.089 701 I CA -1.687 59.685 61.300 0.119 0.000 1.023 701 I CB 1.459 39.526 38.000 0.112 0.000 1.269 701 I HN 0.119 nan 8.210 nan 0.000 0.512 702 L N 2.621 123.955 121.223 0.186 0.000 2.409 702 L HA 0.650 4.990 4.340 -0.000 0.000 0.272 702 L C -1.302 175.746 176.870 0.297 0.000 0.980 702 L CA -0.177 54.777 54.840 0.190 0.000 0.826 702 L CB 1.585 43.739 42.059 0.160 0.000 1.268 702 L HN 0.561 nan 8.230 nan 0.000 0.407 703 I N 4.158 124.851 120.570 0.205 0.000 2.530 703 I HA 0.689 4.859 4.170 -0.000 0.000 0.297 703 I C 0.111 176.228 176.117 -0.001 0.000 1.011 703 I CA -0.926 60.447 61.300 0.122 0.000 1.107 703 I CB 2.089 40.106 38.000 0.029 0.000 1.285 703 I HN 0.777 nan 8.210 nan 0.000 0.436 704 A N 4.618 127.218 122.820 -0.366 0.000 2.340 704 A HA 0.395 4.715 4.320 -0.000 0.000 0.268 704 A C 0.512 177.941 177.584 -0.258 0.000 1.100 704 A CA -0.351 51.297 52.037 -0.648 0.000 0.803 704 A CB 0.831 19.178 19.000 -1.087 0.000 1.043 704 A HN 0.837 nan 8.150 nan 0.000 0.488 705 M N 0.033 119.523 119.600 -0.183 0.000 2.435 705 M HA 0.134 4.614 4.480 -0.000 0.000 0.265 705 M C -0.015 176.209 176.300 -0.126 0.000 1.104 705 M CA 1.464 56.692 55.300 -0.119 0.000 1.140 705 M CB -0.027 32.505 32.600 -0.114 0.000 1.372 705 M HN 0.764 nan 8.290 nan 0.000 0.456 706 Q N -1.821 117.898 119.800 -0.135 0.000 2.377 706 Q HA 0.361 4.701 4.340 -0.000 0.000 0.279 706 Q C -2.280 173.663 176.000 -0.095 0.000 1.049 706 Q CA -1.663 54.080 55.803 -0.100 0.000 0.825 706 Q CB 1.103 29.788 28.738 -0.088 0.000 1.401 706 Q HN -0.201 nan 8.270 nan 0.000 0.404 707 P HA -0.192 nan 4.420 nan 0.000 0.216 707 P C -0.190 177.067 177.300 -0.071 0.000 1.150 707 P CA 1.193 64.246 63.100 -0.079 0.000 0.837 707 P CB 0.311 31.963 31.700 -0.079 0.000 0.786 708 E N -0.756 119.408 120.200 -0.060 0.000 2.461 708 E HA -0.061 4.289 4.350 -0.000 0.000 0.196 708 E C 0.581 177.122 176.600 -0.098 0.000 1.129 708 E CA 0.399 56.765 56.400 -0.058 0.000 0.902 708 E CB -0.761 28.908 29.700 -0.053 0.000 0.963 708 E HN 0.300 nan 8.360 nan 0.000 0.503 709 D N -0.540 119.802 120.400 -0.097 0.000 2.369 709 D HA 0.046 4.685 4.640 -0.000 0.000 0.211 709 D C 1.348 177.685 176.300 0.062 0.000 1.077 709 D CA 0.135 54.076 54.000 -0.098 0.000 0.842 709 D CB 0.462 41.243 40.800 -0.032 0.000 0.947 709 D HN 0.198 nan 8.370 nan 0.000 0.509 710 L N 0.466 121.724 121.223 0.059 0.000 2.130 710 L HA 0.099 4.439 4.340 -0.000 0.000 0.200 710 L C 0.782 177.826 176.870 0.290 0.000 1.075 710 L CA 0.642 55.611 54.840 0.214 0.000 0.768 710 L CB -0.820 41.319 42.059 0.133 0.000 0.933 710 L HN -0.050 nan 8.230 nan 0.000 0.451 711 E N 1.381 121.713 120.200 0.220 0.000 2.641 711 E HA -0.082 4.268 4.350 -0.000 0.000 0.272 711 E C -2.138 174.560 176.600 0.163 0.000 0.990 711 E CA -0.530 56.030 56.400 0.267 0.000 0.971 711 E CB -0.042 29.735 29.700 0.129 0.000 0.967 711 E HN 0.240 nan 8.360 nan 0.000 0.464 723 V N -0.572 119.355 119.914 0.020 0.000 2.607 723 V HA 0.389 4.509 4.120 -0.000 0.000 0.289 723 V C 0.975 177.084 176.094 0.025 0.000 1.053 723 V CA -0.911 61.403 62.300 0.023 0.000 0.996 723 V CB 1.263 33.100 31.823 0.024 0.000 0.995 723 V HN 0.177 nan 8.190 nan 0.000 0.476 724 D N 6.027 126.445 120.400 0.029 0.000 2.950 724 D HA -0.036 4.604 4.640 -0.000 0.000 0.265 724 D C -0.926 175.394 176.300 0.033 0.000 1.405 724 D CA -0.927 53.092 54.000 0.032 0.000 0.998 724 D CB 1.029 41.851 40.800 0.038 0.000 1.154 724 D HN 0.474 nan 8.370 nan 0.000 0.586 725 P HA -0.124 nan 4.420 nan 0.000 0.226 725 P C 0.527 177.846 177.300 0.032 0.000 1.146 725 P CA 0.667 63.784 63.100 0.028 0.000 0.773 725 P CB 0.288 32.002 31.700 0.024 0.000 0.772 726 A N -1.092 121.749 122.820 0.035 0.000 2.387 726 A HA 0.142 4.462 4.320 -0.000 0.000 0.234 726 A C 0.947 178.562 177.584 0.052 0.000 1.253 726 A CA -0.049 52.012 52.037 0.039 0.000 0.894 726 A CB -0.353 18.666 19.000 0.033 0.000 0.963 726 A HN 0.101 nan 8.150 nan 0.000 0.508 727 K N 1.061 121.493 120.400 0.053 0.000 2.087 727 K HA 0.331 4.651 4.320 -0.000 0.000 0.255 727 K C 0.383 177.020 176.600 0.062 0.000 0.988 727 K CA -0.777 55.550 56.287 0.066 0.000 0.915 727 K CB 0.995 33.530 32.500 0.059 0.000 1.043 727 K HN 0.561 nan 8.250 nan 0.000 0.457 728 R N 1.468 122.011 120.500 0.071 0.000 2.784 728 R HA 0.094 4.434 4.340 -0.000 0.000 0.266 728 R C -0.151 176.176 176.300 0.045 0.000 1.044 728 R CA -0.334 55.799 56.100 0.055 0.000 1.151 728 R CB 0.141 30.474 30.300 0.055 0.000 1.037 728 R HN 0.339 nan 8.270 nan 0.000 0.478 729 I N 2.915 123.507 120.570 0.037 0.000 2.416 729 I HA 0.167 4.336 4.170 -0.000 0.000 0.288 729 I C 0.729 176.865 176.117 0.032 0.000 1.051 729 I CA -0.046 61.274 61.300 0.033 0.000 1.375 729 I CB 0.507 38.526 38.000 0.031 0.000 1.407 729 I HN 0.611 nan 8.210 nan 0.000 0.516 730 R N 5.015 125.532 120.500 0.030 0.000 2.664 730 R HA 0.714 5.054 4.340 -0.000 0.000 0.286 730 R C -1.057 175.263 176.300 0.034 0.000 0.967 730 R CA -0.933 55.182 56.100 0.025 0.000 0.933 730 R CB 2.379 32.688 30.300 0.015 0.000 1.146 730 R HN 0.283 nan 8.270 nan 0.000 0.468 731 V N 2.386 122.329 119.914 0.048 0.000 2.378 731 V HA 0.123 4.243 4.120 -0.000 0.000 0.288 731 V C 0.322 176.466 176.094 0.084 0.000 1.016 731 V CA -0.624 61.727 62.300 0.085 0.000 0.840 731 V CB 1.703 33.594 31.823 0.112 0.000 0.994 731 V HN 1.005 nan 8.190 nan 0.000 0.431 732 S N 4.041 119.762 115.700 0.036 0.000 2.569 732 S HA 0.005 4.475 4.470 -0.000 0.000 0.274 732 S C 0.637 175.302 174.600 0.109 0.000 1.353 732 S CA -0.183 58.028 58.200 0.018 0.000 1.023 732 S CB -0.075 63.115 63.200 -0.017 0.000 0.876 732 S HN 1.251 nan 8.310 nan 0.000 0.540 733 H N 1.035 120.125 119.070 0.033 0.000 3.180 733 H HA -0.200 4.356 4.556 -0.000 0.000 0.188 733 H C 0.047 175.301 175.328 -0.124 0.000 0.604 733 H CA 0.884 56.955 56.048 0.037 0.000 1.391 733 H CB -1.615 28.220 29.762 0.121 0.000 1.457 733 H HN 0.757 nan 8.280 nan 0.000 0.508 734 H N 2.745 121.815 119.070 -0.001 0.000 2.660 734 H HA 0.486 5.042 4.556 -0.000 0.000 0.310 734 H C 0.232 175.474 175.328 -0.142 0.000 1.080 734 H CA 0.423 56.418 56.048 -0.088 0.000 1.145 734 H CB -0.026 29.710 29.762 -0.043 0.000 1.432 734 H HN 0.735 nan 8.280 nan 0.000 0.542 735 A N 0.768 123.498 122.820 -0.149 0.000 2.457 735 A HA 0.328 4.647 4.320 -0.000 0.000 0.283 735 A C 0.793 178.147 177.584 -0.383 0.000 1.166 735 A CA -0.724 51.103 52.037 -0.351 0.000 0.740 735 A CB 0.480 19.051 19.000 -0.714 0.000 1.181 735 A HN 0.215 nan 8.150 nan 0.000 0.446 736 T N -0.731 113.664 114.554 -0.266 0.000 3.105 736 T HA 0.100 4.450 4.350 -0.000 0.000 0.253 736 T C 0.970 175.579 174.700 -0.151 0.000 1.047 736 T CA 0.892 62.888 62.100 -0.173 0.000 0.944 736 T CB -0.290 68.517 68.868 -0.102 0.000 1.016 736 T HN 0.743 nan 8.240 nan 0.000 0.544 737 T N -0.789 113.620 114.554 -0.243 0.000 3.182 737 T HA 0.418 4.768 4.350 -0.000 0.000 0.277 737 T C 0.252 174.912 174.700 -0.065 0.000 1.013 737 T CA -0.703 61.321 62.100 -0.126 0.000 0.900 737 T CB -0.725 68.091 68.868 -0.085 0.000 1.098 737 T HN 0.291 nan 8.240 nan 0.000 0.543 738 F N 2.924 122.902 119.950 0.046 0.000 2.595 738 F HA 0.188 4.715 4.527 -0.000 0.000 0.359 738 F C 2.027 177.847 175.800 0.033 0.000 1.147 738 F CA 0.127 58.161 58.000 0.056 0.000 1.341 738 F CB 0.837 39.875 39.000 0.063 0.000 1.104 738 F HN 0.212 nan 8.300 nan 0.000 0.603 739 T N -2.507 112.207 114.554 0.266 0.000 2.975 739 T HA 0.275 4.624 4.350 -0.000 0.000 0.257 739 T C -0.234 174.375 174.700 -0.151 0.000 1.003 739 T CA -0.021 62.094 62.100 0.026 0.000 0.932 739 T CB -0.091 68.807 68.868 0.049 0.000 1.087 739 T HN 0.603 nan 8.240 nan 0.000 0.512 740 H N -0.823 118.314 119.070 0.112 0.000 2.960 740 H HA 0.715 5.271 4.556 -0.000 0.000 0.323 740 H C -1.368 173.957 175.328 -0.004 0.000 1.326 740 H CA -0.931 55.154 56.048 0.061 0.000 1.124 740 H CB 1.607 31.405 29.762 0.059 0.000 1.853 740 H HN 0.305 nan 8.280 nan 0.000 0.536 741 C N 1.063 120.487 119.300 0.206 0.000 2.797 741 C HA 0.447 4.907 4.460 -0.000 0.000 0.306 741 C C -0.689 174.381 174.990 0.133 0.000 1.207 741 C CA -0.589 58.486 59.018 0.095 0.000 1.507 741 C CB 1.003 28.778 27.740 0.059 0.000 2.028 741 C HN 0.736 nan 8.230 nan 0.000 0.475 742 E N 2.949 123.178 120.200 0.047 0.000 2.415 742 E HA 0.072 4.421 4.350 -0.000 0.000 0.262 742 E C 1.012 177.606 176.600 -0.009 0.000 1.038 742 E CA 0.079 56.486 56.400 0.011 0.000 0.921 742 E CB 0.599 30.310 29.700 0.019 0.000 0.950 742 E HN 0.554 nan 8.360 nan 0.000 0.438 743 I N 0.789 121.219 120.570 -0.233 0.000 2.188 743 I HA -0.106 4.064 4.170 -0.000 0.000 0.237 743 I C 0.924 176.994 176.117 -0.079 0.000 1.073 743 I CA 1.320 62.405 61.300 -0.359 0.000 1.359 743 I CB -0.523 37.135 38.000 -0.569 0.000 1.083 743 I HN 0.511 nan 8.210 nan 0.000 0.412 744 H N -0.302 118.628 119.070 -0.233 0.000 3.029 744 H HA 0.268 4.824 4.556 -0.000 0.000 0.358 744 H C -2.226 173.056 175.328 -0.077 0.000 1.129 744 H CA -1.011 54.943 56.048 -0.156 0.000 1.230 744 H CB 2.427 32.015 29.762 -0.291 0.000 1.827 744 H HN -0.256 nan 8.280 nan 0.000 0.530 745 P HA -0.122 nan 4.420 nan 0.000 0.225 745 P C 0.953 178.383 177.300 0.216 0.000 1.148 745 P CA 1.392 64.456 63.100 -0.061 0.000 0.779 745 P CB 0.244 31.740 31.700 -0.341 0.000 0.780 746 S N -2.239 113.809 115.700 0.581 0.000 2.603 746 S HA -0.010 4.459 4.470 -0.000 0.000 0.229 746 S C 1.564 176.286 174.600 0.204 0.000 0.972 746 S CA 0.605 59.094 58.200 0.481 0.000 0.935 746 S CB -0.841 62.643 63.200 0.474 0.000 0.769 746 S HN -0.049 nan 8.310 nan 0.000 0.536 747 M N 1.929 121.581 119.600 0.086 0.000 2.618 747 M HA 0.316 4.796 4.480 -0.000 0.000 0.240 747 M C 1.715 177.919 176.300 -0.160 0.000 1.123 747 M CA -0.123 55.148 55.300 -0.048 0.000 1.060 747 M CB -1.143 31.378 32.600 -0.131 0.000 1.535 747 M HN 0.625 nan 8.290 nan 0.000 0.507 748 I N -2.259 118.168 120.570 -0.239 0.000 2.700 748 I HA -0.088 4.082 4.170 -0.000 0.000 0.261 748 I C 0.573 176.549 176.117 -0.235 0.000 1.219 748 I CA 0.502 61.569 61.300 -0.388 0.000 1.463 748 I CB -0.287 37.319 38.000 -0.656 0.000 1.092 748 I HN -0.006 nan 8.210 nan 0.000 0.452 749 L N 1.323 122.470 121.223 -0.128 0.000 2.416 749 L HA 0.578 4.918 4.340 -0.000 0.000 0.262 749 L C 1.067 177.886 176.870 -0.084 0.000 1.093 749 L CA -0.431 54.351 54.840 -0.097 0.000 0.801 749 L CB 1.024 43.047 42.059 -0.061 0.000 1.191 749 L HN 0.132 nan 8.230 nan 0.000 0.459 750 G N -0.015 108.740 108.800 -0.076 0.000 2.510 750 G HA2 0.347 4.307 3.960 -0.000 0.000 0.280 750 G HA3 0.347 4.307 3.960 -0.000 0.000 0.280 750 G C 0.958 175.831 174.900 -0.044 0.000 1.386 750 G CA -0.534 44.533 45.100 -0.055 0.000 1.047 750 G HN 0.379 nan 8.290 nan 0.000 0.527 751 V N 0.738 120.631 119.914 -0.036 0.000 2.332 751 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 751 V C 3.211 179.280 176.094 -0.042 0.000 1.055 751 V CA 2.670 64.949 62.300 -0.035 0.000 1.038 751 V CB -0.926 30.880 31.823 -0.030 0.000 0.651 751 V HN 0.773 nan 8.190 nan 0.000 0.450 752 A N -0.461 122.335 122.820 -0.040 0.000 1.930 752 A HA 0.124 4.444 4.320 -0.000 0.000 0.215 752 A C 2.254 179.798 177.584 -0.067 0.000 1.176 752 A CA 1.526 53.537 52.037 -0.043 0.000 0.632 752 A CB -0.499 18.483 19.000 -0.031 0.000 0.819 752 A HN 0.561 nan 8.150 nan 0.000 0.445 753 A N -0.932 121.847 122.820 -0.069 0.000 2.169 753 A HA 0.197 4.517 4.320 -0.000 0.000 0.212 753 A C 1.974 179.499 177.584 -0.098 0.000 1.153 753 A CA 1.119 53.109 52.037 -0.078 0.000 0.756 753 A CB -0.406 18.549 19.000 -0.075 0.000 0.813 753 A HN 0.336 nan 8.150 nan 0.000 0.471 754 S N 0.015 115.656 115.700 -0.098 0.000 2.603 754 S HA 0.038 4.508 4.470 -0.000 0.000 0.229 754 S C 1.131 175.618 174.600 -0.188 0.000 0.972 754 S CA 0.482 58.614 58.200 -0.113 0.000 0.935 754 S CB -0.183 62.972 63.200 -0.075 0.000 0.769 754 S HN 0.465 nan 8.310 nan 0.000 0.536 755 I N 0.687 121.121 120.570 -0.226 0.000 3.968 755 I HA 0.295 4.465 4.170 -0.000 0.000 0.328 755 I C 0.419 176.366 176.117 -0.284 0.000 1.290 755 I CA -0.340 60.734 61.300 -0.377 0.000 1.163 755 I CB -0.561 37.193 38.000 -0.410 0.000 1.024 755 I HN 0.168 nan 8.210 nan 0.000 0.413 756 I N 4.751 125.219 120.570 -0.169 0.000 2.471 756 I HA 0.118 4.288 4.170 -0.000 0.000 0.286 756 I C -1.958 174.100 176.117 -0.099 0.000 1.079 756 I CA -1.451 59.797 61.300 -0.085 0.000 1.398 756 I CB 0.609 38.588 38.000 -0.035 0.000 1.403 756 I HN -0.110 nan 8.210 nan 0.000 0.530 757 P HA 0.127 nan 4.420 nan 0.000 0.280 757 P C -0.175 177.122 177.300 -0.006 0.000 1.244 757 P CA -0.138 62.862 63.100 -0.167 0.000 0.784 757 P CB 0.320 31.977 31.700 -0.070 0.000 0.913 758 F N 0.459 120.361 119.950 -0.079 0.000 3.090 758 F HA -0.173 4.354 4.527 -0.000 0.000 0.282 758 F C -0.975 174.801 175.800 -0.040 0.000 0.923 758 F CA -0.397 57.590 58.000 -0.022 0.000 0.977 758 F CB -1.681 37.292 39.000 -0.045 0.000 0.954 758 F HN 0.347 nan 8.300 nan 0.000 0.695 759 P HA -0.151 nan 4.420 nan 0.000 0.226 759 P C 1.104 178.367 177.300 -0.061 0.000 1.153 759 P CA 1.810 64.894 63.100 -0.026 0.000 0.777 759 P CB -0.038 31.609 31.700 -0.088 0.000 0.794 760 D N -1.771 118.559 120.400 -0.116 0.000 2.378 760 D HA -0.161 4.478 4.640 -0.000 0.000 0.227 760 D C 1.047 177.178 176.300 -0.280 0.000 1.012 760 D CA 0.739 54.635 54.000 -0.173 0.000 0.905 760 D CB -1.211 39.427 40.800 -0.270 0.000 0.895 760 D HN 0.322 nan 8.370 nan 0.000 0.532 761 H N -0.537 118.527 119.070 -0.010 0.000 2.542 761 H HA 0.269 4.825 4.556 -0.000 0.000 0.283 761 H C -0.228 175.063 175.328 -0.060 0.000 1.059 761 H CA -0.427 55.593 56.048 -0.046 0.000 1.162 761 H CB 0.365 30.059 29.762 -0.114 0.000 1.539 761 H HN -0.007 nan 8.280 nan 0.000 0.543 762 N N 1.330 120.041 118.700 0.018 0.000 2.321 762 N HA 0.076 4.816 4.740 -0.000 0.000 0.299 762 N C -0.123 175.372 175.510 -0.025 0.000 1.048 762 N CA -0.452 52.594 53.050 -0.005 0.000 0.836 762 N CB 2.128 40.612 38.487 -0.005 0.000 1.269 762 N HN 0.232 nan 8.380 nan 0.000 0.486 763 Q N 0.314 120.097 119.800 -0.028 0.000 2.326 763 Q HA -0.068 4.272 4.340 -0.000 0.000 0.314 763 Q C 0.996 176.957 176.000 -0.066 0.000 1.091 763 Q CA 0.496 56.274 55.803 -0.042 0.000 0.974 763 Q CB 0.645 29.356 28.738 -0.045 0.000 1.220 763 Q HN 0.681 nan 8.270 nan 0.000 0.398 764 S N 3.647 119.308 115.700 -0.066 0.000 2.356 764 S HA -0.051 4.419 4.470 -0.000 0.000 0.223 764 S C -1.024 173.490 174.600 -0.143 0.000 1.032 764 S CA 1.275 59.425 58.200 -0.082 0.000 1.005 764 S CB -0.597 62.571 63.200 -0.054 0.000 0.867 764 S HN 0.678 nan 8.310 nan 0.000 0.449 765 P HA -0.049 nan 4.420 nan 0.000 0.220 765 P C 1.224 178.162 177.300 -0.604 0.000 1.148 765 P CA 0.884 63.786 63.100 -0.331 0.000 0.803 765 P CB -0.153 31.384 31.700 -0.270 0.000 0.782 766 R N -0.366 119.881 120.500 -0.422 0.000 2.090 766 R HA 0.007 4.347 4.340 -0.000 0.000 0.228 766 R C 1.904 178.068 176.300 -0.228 0.000 1.110 766 R CA 0.792 56.647 56.100 -0.410 0.000 0.973 766 R CB -1.043 29.157 30.300 -0.167 0.000 0.869 766 R HN 0.234 nan 8.270 nan 0.000 0.440 767 N N 0.246 118.859 118.700 -0.145 0.000 2.166 767 N HA -0.103 4.637 4.740 -0.000 0.000 0.186 767 N C 1.595 177.048 175.510 -0.095 0.000 1.019 767 N CA 1.362 54.360 53.050 -0.086 0.000 0.856 767 N CB -0.409 38.035 38.487 -0.072 0.000 0.993 767 N HN 0.120 nan 8.380 nan 0.000 0.426 768 T N 0.308 114.783 114.554 -0.131 0.000 2.803 768 T HA -0.094 4.256 4.350 -0.000 0.000 0.269 768 T C 1.619 176.342 174.700 0.039 0.000 1.052 768 T CA 0.998 63.055 62.100 -0.071 0.000 1.136 768 T CB -0.233 68.589 68.868 -0.076 0.000 0.864 768 T HN 0.421 nan 8.240 nan 0.000 0.467 769 Y N 0.551 120.831 120.300 -0.032 0.000 2.286 769 Y HA -0.092 4.458 4.550 -0.000 0.000 0.293 769 Y C 2.869 178.740 175.900 -0.049 0.000 1.124 769 Y CA 0.367 58.444 58.100 -0.039 0.000 1.178 769 Y CB -0.130 38.309 38.460 -0.034 0.000 1.010 769 Y HN 0.141 nan 8.280 nan 0.000 0.536 770 Q N 0.902 120.732 119.800 0.050 0.000 2.234 770 Q HA -0.152 4.188 4.340 -0.000 0.000 0.206 770 Q C 1.850 177.844 176.000 -0.010 0.000 0.980 770 Q CA 1.980 57.780 55.803 -0.005 0.000 0.869 770 Q CB -0.368 28.341 28.738 -0.048 0.000 0.912 770 Q HN 0.200 nan 8.270 nan 0.000 0.436 771 S N -0.325 115.373 115.700 -0.004 0.000 2.414 771 S HA 0.071 4.541 4.470 -0.000 0.000 0.227 771 S C 1.802 176.395 174.600 -0.012 0.000 1.022 771 S CA 0.630 58.819 58.200 -0.017 0.000 0.958 771 S CB -0.368 62.817 63.200 -0.024 0.000 0.797 771 S HN 0.610 nan 8.310 nan 0.000 0.493 772 A N 1.714 124.533 122.820 -0.001 0.000 1.858 772 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 772 A C 2.132 179.692 177.584 -0.040 0.000 1.190 772 A CA 1.388 53.413 52.037 -0.020 0.000 0.617 772 A CB -0.665 18.325 19.000 -0.017 0.000 0.827 772 A HN 0.434 nan 8.150 nan 0.000 0.443 773 M N -0.432 119.147 119.600 -0.036 0.000 2.149 773 M HA -0.138 4.342 4.480 -0.000 0.000 0.261 773 M C 2.160 178.425 176.300 -0.059 0.000 1.064 773 M CA 1.296 56.558 55.300 -0.062 0.000 1.102 773 M CB -0.498 32.067 32.600 -0.059 0.000 1.369 773 M HN 0.551 nan 8.290 nan 0.000 0.408 774 G N 0.130 108.911 108.800 -0.032 0.000 2.499 774 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.221 774 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.221 774 G C 1.524 176.426 174.900 0.004 0.000 1.109 774 G CA 0.786 45.888 45.100 0.002 0.000 0.749 774 G HN 0.428 nan 8.290 nan 0.000 0.568 775 K N -0.241 120.143 120.400 -0.027 0.000 2.486 775 K HA 0.049 4.369 4.320 -0.000 0.000 0.194 775 K C 1.632 178.157 176.600 -0.126 0.000 1.033 775 K CA 0.380 56.653 56.287 -0.023 0.000 1.004 775 K CB 0.192 32.674 32.500 -0.030 0.000 0.798 775 K HN 0.399 nan 8.250 nan 0.000 0.495 776 Q N -0.184 119.520 119.800 -0.160 0.000 2.172 776 Q HA 0.224 4.564 4.340 -0.000 0.000 0.217 776 Q C -0.269 175.637 176.000 -0.155 0.000 0.832 776 Q CA -0.444 55.213 55.803 -0.244 0.000 1.010 776 Q CB 1.352 29.952 28.738 -0.230 0.000 1.133 776 Q HN 0.120 nan 8.270 nan 0.000 0.489 777 A N 0.771 123.546 122.820 -0.075 0.000 2.248 777 A HA 0.725 5.045 4.320 -0.000 0.000 0.316 777 A C -0.369 177.217 177.584 0.003 0.000 1.101 777 A CA -0.442 51.567 52.037 -0.047 0.000 0.875 777 A CB 0.779 19.785 19.000 0.011 0.000 1.207 777 A HN 0.242 nan 8.150 nan 0.000 0.504 778 M N 0.068 119.683 119.600 0.025 0.000 2.383 778 M HA 0.530 5.010 4.480 -0.000 0.000 0.325 778 M C 0.572 176.922 176.300 0.083 0.000 1.092 778 M CA -0.023 55.317 55.300 0.066 0.000 0.961 778 M CB 2.220 34.852 32.600 0.053 0.000 1.672 778 M HN 0.963 nan 8.290 nan 0.000 0.438 779 G N 1.557 110.416 108.800 0.099 0.000 3.508 779 G HA2 0.534 4.494 3.960 -0.000 0.000 0.172 779 G HA3 0.534 4.494 3.960 -0.000 0.000 0.172 779 G C -1.357 173.567 174.900 0.040 0.000 1.231 779 G CA -0.262 44.870 45.100 0.053 0.000 1.218 779 G HN 0.466 nan 8.290 nan 0.000 0.709 780 V N 2.399 122.316 119.914 0.005 0.000 2.443 780 V HA 0.275 4.395 4.120 -0.000 0.000 0.272 780 V C 0.535 176.590 176.094 -0.065 0.000 1.002 780 V CA -0.496 61.755 62.300 -0.081 0.000 0.840 780 V CB 0.406 32.145 31.823 -0.141 0.000 1.042 780 V HN 0.716 nan 8.190 nan 0.000 0.446 781 F N 3.081 123.033 119.950 0.002 0.000 2.365 781 F HA 0.389 4.915 4.527 -0.000 0.000 0.300 781 F C 0.308 176.157 175.800 0.081 0.000 1.090 781 F CA 0.737 58.768 58.000 0.051 0.000 1.408 781 F CB -0.017 39.007 39.000 0.039 0.000 1.060 781 F HN 0.234 nan 8.300 nan 0.000 0.534 782 L N -0.325 120.461 121.223 -0.729 0.000 2.622 782 L HA 0.214 4.554 4.340 -0.000 0.000 0.258 782 L C 0.939 177.635 176.870 -0.289 0.000 0.996 782 L CA -0.290 54.347 54.840 -0.338 0.000 0.858 782 L CB 2.101 44.033 42.059 -0.211 0.000 1.449 782 L HN 0.002 nan 8.230 nan 0.000 0.411 783 T N -3.315 111.179 114.554 -0.100 0.000 3.118 783 T HA -0.051 4.299 4.350 -0.000 0.000 0.260 783 T C 0.817 175.457 174.700 -0.101 0.000 1.139 783 T CA 0.727 62.798 62.100 -0.049 0.000 1.085 783 T CB -0.488 68.420 68.868 0.068 0.000 0.934 783 T HN 0.611 nan 8.240 nan 0.000 0.518 784 N N 1.137 119.756 118.700 -0.134 0.000 2.455 784 N HA 0.039 4.779 4.740 -0.000 0.000 0.258 784 N C 0.753 176.153 175.510 -0.184 0.000 1.158 784 N CA -0.937 52.028 53.050 -0.141 0.000 0.893 784 N CB -0.741 37.699 38.487 -0.079 0.000 1.173 784 N HN 0.711 nan 8.380 nan 0.000 0.503 785 Y N -1.591 118.552 120.300 -0.262 0.000 2.337 785 Y HA 0.254 4.804 4.550 -0.000 0.000 0.293 785 Y C 1.732 177.493 175.900 -0.233 0.000 1.123 785 Y CA 0.299 58.239 58.100 -0.266 0.000 1.201 785 Y CB -0.555 37.704 38.460 -0.335 0.000 1.011 785 Y HN 0.093 nan 8.280 nan 0.000 0.545 786 N N 0.842 119.212 118.700 -0.551 0.000 2.571 786 N HA -0.059 4.681 4.740 -0.000 0.000 0.189 786 N C 0.721 176.108 175.510 -0.204 0.000 1.154 786 N CA 0.614 53.443 53.050 -0.368 0.000 0.907 786 N CB 0.235 38.481 38.487 -0.403 0.000 0.977 786 N HN 0.342 nan 8.380 nan 0.000 0.449 787 V N 0.233 120.048 119.914 -0.164 0.000 3.528 787 V HA 0.205 4.325 4.120 -0.000 0.000 0.294 787 V C 0.857 176.907 176.094 -0.072 0.000 1.404 787 V CA 0.093 62.332 62.300 -0.102 0.000 1.065 787 V CB 0.253 32.024 31.823 -0.086 0.000 0.904 787 V HN 0.119 nan 8.190 nan 0.000 0.435 788 R N -0.008 120.453 120.500 -0.065 0.000 2.705 788 R HA 0.660 5.000 4.340 -0.000 0.000 0.246 788 R C -0.530 175.738 176.300 -0.055 0.000 1.142 788 R CA -0.618 55.462 56.100 -0.034 0.000 1.114 788 R CB 0.892 31.204 30.300 0.020 0.000 1.256 788 R HN 0.072 nan 8.270 nan 0.000 0.536 789 M N 2.405 121.975 119.600 -0.051 0.000 2.031 789 M HA 0.212 4.692 4.480 -0.000 0.000 0.273 789 M C -1.643 174.612 176.300 -0.074 0.000 0.904 789 M CA -0.863 54.398 55.300 -0.065 0.000 0.963 789 M CB 1.177 33.741 32.600 -0.059 0.000 1.707 789 M HN 0.641 nan 8.290 nan 0.000 0.427 790 D N -0.139 120.213 120.400 -0.081 0.000 2.414 790 D HA 0.512 5.152 4.640 -0.000 0.000 0.241 790 D C 0.797 177.033 176.300 -0.107 0.000 1.008 790 D CA -0.551 53.387 54.000 -0.103 0.000 1.001 790 D CB 0.781 41.503 40.800 -0.129 0.000 1.277 790 D HN 0.219 nan 8.370 nan 0.000 0.538 791 T N -0.550 113.933 114.554 -0.119 0.000 2.665 791 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 791 T C 0.697 175.332 174.700 -0.109 0.000 1.035 791 T CA 1.135 63.163 62.100 -0.120 0.000 1.151 791 T CB -0.257 68.544 68.868 -0.113 0.000 0.862 791 T HN 0.340 nan 8.240 nan 0.000 0.438 792 M N -0.697 118.857 119.600 -0.076 0.000 2.550 792 M HA 0.619 5.099 4.480 -0.000 0.000 0.292 792 M C -1.623 174.680 176.300 0.005 0.000 1.221 792 M CA -0.849 54.449 55.300 -0.002 0.000 0.873 792 M CB 2.754 35.407 32.600 0.088 0.000 1.727 792 M HN 0.146 nan 8.290 nan 0.000 0.459 793 A N 2.062 124.937 122.820 0.092 0.000 2.605 793 A HA 0.773 5.093 4.320 -0.000 0.000 0.294 793 A C -1.922 175.848 177.584 0.309 0.000 1.062 793 A CA -0.889 51.236 52.037 0.148 0.000 0.682 793 A CB 1.799 20.893 19.000 0.157 0.000 1.278 793 A HN 0.829 nan 8.150 nan 0.000 0.410 794 N N 0.819 119.691 118.700 0.287 0.000 2.249 794 N HA 0.640 5.380 4.740 -0.000 0.000 0.296 794 N C -1.600 174.043 175.510 0.222 0.000 1.051 794 N CA -0.411 52.797 53.050 0.263 0.000 0.815 794 N CB 1.976 40.576 38.487 0.189 0.000 1.487 794 N HN 0.471 nan 8.380 nan 0.000 0.475 795 I N 1.916 122.580 120.570 0.157 0.000 2.647 795 I HA 0.374 4.543 4.170 -0.000 0.000 0.295 795 I C -0.287 175.885 176.117 0.091 0.000 1.078 795 I CA -0.691 60.642 61.300 0.054 0.000 1.048 795 I CB 1.861 39.791 38.000 -0.116 0.000 1.239 795 I HN 0.314 nan 8.210 nan 0.000 0.421 796 L N 4.094 125.362 121.223 0.076 0.000 2.357 796 L HA 0.315 4.655 4.340 -0.000 0.000 0.273 796 L C 0.608 177.537 176.870 0.098 0.000 1.080 796 L CA 0.265 55.170 54.840 0.108 0.000 0.803 796 L CB 0.704 42.814 42.059 0.085 0.000 1.174 796 L HN 0.379 nan 8.230 nan 0.000 0.443 797 Y N 2.582 122.787 120.300 -0.159 0.000 2.184 797 Y HA -0.051 4.499 4.550 -0.000 0.000 0.290 797 Y C 0.339 175.886 175.900 -0.588 0.000 1.129 797 Y CA 1.196 59.048 58.100 -0.414 0.000 1.144 797 Y CB -0.193 37.923 38.460 -0.573 0.000 0.995 797 Y HN 0.482 nan 8.280 nan 0.000 0.513 798 Y N -0.241 120.150 120.300 0.152 0.000 2.511 798 Y HA 0.345 4.895 4.550 -0.000 0.000 0.356 798 Y C -2.363 173.535 175.900 -0.003 0.000 1.002 798 Y CA -2.863 55.270 58.100 0.055 0.000 1.127 798 Y CB 0.455 38.932 38.460 0.028 0.000 1.137 798 Y HN -0.082 nan 8.280 nan 0.000 0.652 799 P HA 0.005 nan 4.420 nan 0.000 0.265 799 P C -0.538 176.795 177.300 0.054 0.000 1.187 799 P CA 0.490 63.611 63.100 0.034 0.000 0.766 799 P CB 0.726 32.423 31.700 -0.005 0.000 0.820 800 Q N 1.161 121.005 119.800 0.074 0.000 2.433 800 Q HA 0.399 4.739 4.340 -0.000 0.000 0.279 800 Q C -0.198 175.903 176.000 0.169 0.000 1.105 800 Q CA -1.195 54.666 55.803 0.096 0.000 0.815 800 Q CB 2.294 31.091 28.738 0.099 0.000 1.403 800 Q HN 0.383 nan 8.270 nan 0.000 0.435 801 K N 0.058 120.511 120.400 0.089 0.000 2.087 801 K HA 0.586 4.906 4.320 -0.000 0.000 0.255 801 K C -2.601 174.007 176.600 0.013 0.000 0.988 801 K CA -1.906 54.405 56.287 0.040 0.000 0.915 801 K CB 0.717 33.208 32.500 -0.015 0.000 1.043 801 K HN 0.147 nan 8.250 nan 0.000 0.457 802 P HA 0.114 nan 4.420 nan 0.000 0.286 802 P C 0.404 177.613 177.300 -0.151 0.000 1.269 802 P CA -0.419 62.477 63.100 -0.341 0.000 0.787 802 P CB 0.863 32.158 31.700 -0.675 0.000 0.920 803 L N 1.442 122.634 121.223 -0.051 0.000 2.127 803 L HA -0.041 4.299 4.340 -0.000 0.000 0.211 803 L C 1.443 178.267 176.870 -0.077 0.000 1.089 803 L CA 1.509 56.323 54.840 -0.043 0.000 0.757 803 L CB -0.634 41.419 42.059 -0.010 0.000 0.899 803 L HN 0.505 nan 8.230 nan 0.000 0.434 804 G N -0.259 108.478 108.800 -0.105 0.000 2.588 804 G HA2 0.490 4.450 3.960 -0.000 0.000 0.312 804 G HA3 0.490 4.450 3.960 -0.000 0.000 0.312 804 G C -0.282 174.482 174.900 -0.226 0.000 1.257 804 G CA -0.177 44.838 45.100 -0.142 0.000 0.994 804 G HN 0.051 nan 8.290 nan 0.000 0.498 805 T N -0.898 113.510 114.554 -0.244 0.000 2.919 805 T HA 0.820 5.170 4.350 -0.000 0.000 0.282 805 T C -0.059 174.454 174.700 -0.313 0.000 1.020 805 T CA -0.707 61.229 62.100 -0.274 0.000 0.994 805 T CB 2.338 71.073 68.868 -0.221 0.000 1.180 805 T HN 0.276 nan 8.240 nan 0.000 0.566 806 T N -0.286 114.081 114.554 -0.313 0.000 2.916 806 T HA 0.458 4.808 4.350 -0.000 0.000 0.292 806 T C 0.936 175.433 174.700 -0.338 0.000 1.064 806 T CA -0.867 61.044 62.100 -0.315 0.000 1.011 806 T CB 1.833 70.533 68.868 -0.281 0.000 1.152 806 T HN 0.453 nan 8.240 nan 0.000 0.510 807 R N 1.010 121.259 120.500 -0.417 0.000 2.189 807 R HA 0.133 4.473 4.340 -0.000 0.000 0.218 807 R C 2.070 178.124 176.300 -0.410 0.000 1.074 807 R CA 0.855 56.578 56.100 -0.629 0.000 0.991 807 R CB -0.983 28.399 30.300 -1.531 0.000 0.883 807 R HN 0.646 nan 8.270 nan 0.000 0.457 808 A N 0.421 123.140 122.820 -0.168 0.000 2.168 808 A HA -0.042 4.278 4.320 -0.000 0.000 0.215 808 A C 2.015 179.536 177.584 -0.105 0.000 1.152 808 A CA 0.677 52.736 52.037 0.038 0.000 0.716 808 A CB -0.395 18.667 19.000 0.104 0.000 0.794 808 A HN 0.180 nan 8.150 nan 0.000 0.465 809 M N -0.730 118.748 119.600 -0.203 0.000 2.446 809 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 809 M C 1.966 178.149 176.300 -0.196 0.000 1.066 809 M CA 1.526 56.721 55.300 -0.175 0.000 1.087 809 M CB -0.259 32.222 32.600 -0.199 0.000 1.406 809 M HN 0.696 nan 8.290 nan 0.000 0.459 810 E N 0.560 120.535 120.200 -0.376 0.000 2.051 810 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 810 E C 1.413 177.743 176.600 -0.450 0.000 0.991 810 E CA 1.606 57.704 56.400 -0.503 0.000 0.799 810 E CB -0.084 29.190 29.700 -0.710 0.000 0.748 810 E HN 0.625 nan 8.360 nan 0.000 0.449 811 Y N 0.105 120.372 120.300 -0.055 0.000 2.516 811 Y HA 0.033 4.583 4.550 -0.000 0.000 0.291 811 Y C 1.856 177.703 175.900 -0.088 0.000 1.131 811 Y CA 0.308 58.331 58.100 -0.129 0.000 1.281 811 Y CB 0.088 38.277 38.460 -0.452 0.000 1.013 811 Y HN 0.042 nan 8.280 nan 0.000 0.554 812 L N 0.086 121.317 121.223 0.014 0.000 2.607 812 L HA 0.094 4.434 4.340 -0.000 0.000 0.228 812 L C 0.487 177.473 176.870 0.193 0.000 1.123 812 L CA 0.114 55.013 54.840 0.099 0.000 0.890 812 L CB -0.050 42.054 42.059 0.076 0.000 1.103 812 L HN 0.087 nan 8.230 nan 0.000 0.468 813 K N -1.128 119.332 120.400 0.099 0.000 3.209 813 K HA -0.282 4.038 4.320 -0.000 0.000 0.289 813 K C 0.810 177.391 176.600 -0.031 0.000 1.191 813 K CA 0.972 57.269 56.287 0.018 0.000 0.851 813 K CB -2.507 29.967 32.500 -0.043 0.000 1.242 813 K HN 0.320 nan 8.250 nan 0.000 0.480 814 F N 1.318 121.217 119.950 -0.086 0.000 2.325 814 F HA -0.007 4.519 4.527 -0.000 0.000 0.299 814 F C 2.190 177.924 175.800 -0.110 0.000 1.090 814 F CA 1.076 59.033 58.000 -0.072 0.000 1.392 814 F CB 0.097 39.058 39.000 -0.066 0.000 1.053 814 F HN 0.034 nan 8.300 nan 0.000 0.521 815 R N -0.225 120.288 120.500 0.022 0.000 2.276 815 R HA -0.058 4.282 4.340 -0.000 0.000 0.203 815 R C 1.524 177.749 176.300 -0.126 0.000 1.017 815 R CA 0.879 56.948 56.100 -0.052 0.000 1.010 815 R CB -0.056 30.224 30.300 -0.034 0.000 0.900 815 R HN 0.261 nan 8.270 nan 0.000 0.469 816 E N -0.183 119.903 120.200 -0.189 0.000 2.190 816 E HA 0.093 4.443 4.350 -0.000 0.000 0.191 816 E C 0.036 176.409 176.600 -0.378 0.000 0.978 816 E CA 0.705 56.951 56.400 -0.257 0.000 0.839 816 E CB 0.555 30.052 29.700 -0.338 0.000 0.787 816 E HN 0.091 nan 8.360 nan 0.000 0.473 817 L N 1.343 122.295 121.223 -0.452 0.000 2.551 817 L HA 0.384 4.724 4.340 -0.000 0.000 0.248 817 L C -2.521 174.101 176.870 -0.414 0.000 1.509 817 L CA -1.650 52.921 54.840 -0.449 0.000 0.842 817 L CB 1.203 42.866 42.059 -0.659 0.000 1.087 817 L HN -0.078 nan 8.230 nan 0.000 0.512 818 P HA 0.351 nan 4.420 nan 0.000 0.277 818 P C -0.356 176.783 177.300 -0.269 0.000 1.271 818 P CA -0.432 62.340 63.100 -0.547 0.000 0.795 818 P CB 1.223 32.774 31.700 -0.248 0.000 1.101 819 A N -0.091 122.638 122.820 -0.152 0.000 3.474 819 A HA 0.655 4.975 4.320 -0.000 0.000 0.251 819 A C -0.150 177.499 177.584 0.109 0.000 1.062 819 A CA 0.194 52.238 52.037 0.012 0.000 0.945 819 A CB -0.379 18.643 19.000 0.036 0.000 1.296 819 A HN 0.727 nan 8.150 nan 0.000 0.592 820 G N -0.380 108.442 108.800 0.036 0.000 2.338 820 G HA2 0.516 4.476 3.960 -0.000 0.000 0.295 820 G HA3 0.516 4.476 3.960 -0.000 0.000 0.295 820 G C -1.722 172.961 174.900 -0.361 0.000 1.461 820 G CA -0.496 44.400 45.100 -0.341 0.000 0.817 820 G HN 0.384 nan 8.290 nan 0.000 0.556 821 Q N -0.351 119.175 119.800 -0.456 0.000 2.421 821 Q HA 0.353 4.693 4.340 -0.000 0.000 0.280 821 Q C -0.975 174.945 176.000 -0.134 0.000 1.085 821 Q CA -1.053 54.581 55.803 -0.282 0.000 0.807 821 Q CB 2.438 30.807 28.738 -0.615 0.000 1.405 821 Q HN 0.504 nan 8.270 nan 0.000 0.419 822 N N 1.044 119.781 118.700 0.062 0.000 2.406 822 N HA 0.343 5.083 4.740 -0.000 0.000 0.251 822 N C -1.105 174.423 175.510 0.030 0.000 1.069 822 N CA 0.091 53.226 53.050 0.141 0.000 0.947 822 N CB 1.360 39.924 38.487 0.128 0.000 1.111 822 N HN 0.512 nan 8.380 nan 0.000 0.497 823 A N 3.032 125.890 122.820 0.065 0.000 2.306 823 A HA 0.525 4.845 4.320 -0.000 0.000 0.330 823 A C 0.197 177.748 177.584 -0.056 0.000 1.146 823 A CA -0.667 51.364 52.037 -0.010 0.000 0.827 823 A CB 0.788 19.804 19.000 0.027 0.000 1.178 823 A HN 0.502 nan 8.150 nan 0.000 0.490 824 I N 2.072 122.569 120.570 -0.121 0.000 2.416 824 I HA 0.291 4.461 4.170 -0.000 0.000 0.288 824 I C -0.239 175.753 176.117 -0.209 0.000 1.051 824 I CA 0.105 61.275 61.300 -0.215 0.000 1.375 824 I CB 0.512 38.374 38.000 -0.229 0.000 1.407 824 I HN 0.223 nan 8.210 nan 0.000 0.516 825 V N 5.727 125.491 119.914 -0.250 0.000 2.638 825 V HA 0.682 4.802 4.120 -0.000 0.000 0.306 825 V C 0.145 176.217 176.094 -0.036 0.000 1.052 825 V CA -0.805 61.417 62.300 -0.130 0.000 0.885 825 V CB 1.935 33.729 31.823 -0.049 0.000 0.999 825 V HN 0.868 nan 8.190 nan 0.000 0.424 826 A N 5.530 128.426 122.820 0.127 0.000 2.305 826 A HA 0.844 5.164 4.320 -0.000 0.000 0.322 826 A C -0.580 177.083 177.584 0.133 0.000 1.187 826 A CA -0.493 51.696 52.037 0.254 0.000 0.825 826 A CB 0.585 19.725 19.000 0.234 0.000 1.164 826 A HN 0.782 nan 8.150 nan 0.000 0.498 827 I N 2.323 122.988 120.570 0.158 0.000 2.306 827 I HA 0.527 4.697 4.170 -0.000 0.000 0.288 827 I C 0.345 176.513 176.117 0.085 0.000 1.036 827 I CA 0.258 61.618 61.300 0.099 0.000 1.221 827 I CB 1.007 39.061 38.000 0.090 0.000 1.385 827 I HN 0.761 nan 8.210 nan 0.000 0.472 828 A N 5.208 128.064 122.820 0.061 0.000 2.604 828 A HA 0.535 4.855 4.320 -0.000 0.000 0.295 828 A C -1.147 176.498 177.584 0.101 0.000 1.067 828 A CA -0.484 51.593 52.037 0.066 0.000 0.683 828 A CB 1.184 20.213 19.000 0.049 0.000 1.281 828 A HN 0.622 nan 8.150 nan 0.000 0.407 829 C N 1.216 120.583 119.300 0.112 0.000 2.482 829 C HA 0.576 5.036 4.460 -0.000 0.000 0.378 829 C C -0.440 174.671 174.990 0.202 0.000 1.284 829 C CA 0.283 59.385 59.018 0.140 0.000 1.826 829 C CB -1.671 26.139 27.740 0.117 0.000 2.473 829 C HN 0.665 nan 8.230 nan 0.000 0.562 830 Y N 3.216 123.553 120.300 0.063 0.000 2.347 830 Y HA 0.412 4.962 4.550 -0.000 0.000 0.339 830 Y C 0.680 176.662 175.900 0.136 0.000 1.152 830 Y CA 0.607 58.745 58.100 0.064 0.000 1.321 830 Y CB 0.613 39.106 38.460 0.055 0.000 1.137 830 Y HN 1.008 nan 8.280 nan 0.000 0.486 831 S N 1.554 117.280 115.700 0.044 0.000 1.895 831 S HA -0.181 4.289 4.470 -0.000 0.000 0.245 831 S C 1.419 176.143 174.600 0.208 0.000 1.057 831 S CA 1.293 59.571 58.200 0.129 0.000 1.369 831 S CB -2.143 61.210 63.200 0.254 0.000 1.690 831 S HN 2.422 nan 8.310 nan 0.000 0.555 832 G N 0.073 108.967 108.800 0.157 0.000 2.176 832 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.232 832 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.232 832 G C 0.155 175.041 174.900 -0.024 0.000 0.986 832 G CA 0.506 45.629 45.100 0.039 0.000 0.643 832 G HN 1.113 nan 8.290 nan 0.000 0.522 833 Y N 1.300 121.637 120.300 0.062 0.000 2.493 833 Y HA 0.258 4.808 4.550 -0.000 0.000 0.275 833 Y C 1.561 177.465 175.900 0.008 0.000 1.183 833 Y CA 0.081 58.197 58.100 0.026 0.000 1.258 833 Y CB 0.250 38.713 38.460 0.004 0.000 1.108 833 Y HN 0.454 nan 8.280 nan 0.000 0.521 834 N N -0.227 118.540 118.700 0.110 0.000 2.453 834 N HA 0.060 4.800 4.740 -0.000 0.000 0.270 834 N C -0.478 175.067 175.510 0.058 0.000 1.195 834 N CA -0.118 52.974 53.050 0.069 0.000 0.902 834 N CB -0.190 38.336 38.487 0.065 0.000 1.186 834 N HN 0.298 nan 8.380 nan 0.000 0.510 835 Q N 0.503 120.323 119.800 0.035 0.000 2.260 835 Q HA 0.219 4.559 4.340 -0.000 0.000 0.238 835 Q C -0.330 175.682 176.000 0.020 0.000 0.948 835 Q CA -0.522 55.297 55.803 0.027 0.000 0.895 835 Q CB 0.874 29.607 28.738 -0.009 0.000 1.218 835 Q HN 0.234 nan 8.270 nan 0.000 0.470 836 E N 2.272 122.487 120.200 0.025 0.000 2.246 836 E HA -0.239 4.111 4.350 -0.000 0.000 0.211 836 E C -1.113 175.502 176.600 0.024 0.000 1.278 836 E CA 0.665 57.075 56.400 0.017 0.000 0.694 836 E CB -1.459 28.238 29.700 -0.004 0.000 1.166 836 E HN 0.792 nan 8.360 nan 0.000 0.370 837 D N -1.130 119.297 120.400 0.045 0.000 2.705 837 D HA -0.169 4.471 4.640 -0.000 0.000 0.240 837 D C -0.001 176.324 176.300 0.041 0.000 1.137 837 D CA 1.693 55.722 54.000 0.048 0.000 0.677 837 D CB -1.360 39.463 40.800 0.038 0.000 1.049 837 D HN 0.527 nan 8.370 nan 0.000 0.427 838 S N -0.941 114.785 115.700 0.042 0.000 2.697 838 S HA 0.850 5.320 4.470 -0.000 0.000 0.289 838 S C -0.377 174.241 174.600 0.031 0.000 1.149 838 S CA -0.901 57.320 58.200 0.035 0.000 0.850 838 S CB 3.052 66.267 63.200 0.026 0.000 1.151 838 S HN 0.327 nan 8.310 nan 0.000 0.491 839 M N 1.137 120.739 119.600 0.004 0.000 2.433 839 M HA 0.590 5.070 4.480 -0.000 0.000 0.290 839 M C -1.881 174.370 176.300 -0.083 0.000 1.173 839 M CA -0.742 54.533 55.300 -0.041 0.000 0.905 839 M CB 1.482 34.038 32.600 -0.074 0.000 1.692 839 M HN 0.580 nan 8.290 nan 0.000 0.462 840 I N 3.166 123.676 120.570 -0.099 0.000 2.371 840 I HA 0.423 4.593 4.170 -0.000 0.000 0.290 840 I C -0.225 175.785 176.117 -0.179 0.000 1.028 840 I CA -0.220 60.981 61.300 -0.165 0.000 1.345 840 I CB 1.569 39.469 38.000 -0.166 0.000 1.407 840 I HN 0.776 nan 8.210 nan 0.000 0.501 841 M N 5.941 125.421 119.600 -0.200 0.000 2.644 841 M HA 0.379 4.859 4.480 -0.000 0.000 0.316 841 M C -0.434 175.797 176.300 -0.115 0.000 1.200 841 M CA -0.669 54.515 55.300 -0.194 0.000 0.944 841 M CB 1.541 33.988 32.600 -0.254 0.000 1.691 841 M HN 0.475 nan 8.290 nan 0.000 0.471 842 N N 2.542 121.197 118.700 -0.075 0.000 2.406 842 N HA 0.048 4.788 4.740 -0.000 0.000 0.251 842 N C 0.070 175.569 175.510 -0.019 0.000 1.069 842 N CA 0.252 53.290 53.050 -0.020 0.000 0.947 842 N CB 1.496 39.974 38.487 -0.014 0.000 1.111 842 N HN 0.768 nan 8.380 nan 0.000 0.497 843 Q N 2.506 122.310 119.800 0.007 0.000 2.124 843 Q HA -0.031 4.309 4.340 -0.000 0.000 0.202 843 Q C 1.238 177.241 176.000 0.005 0.000 0.977 843 Q CA 1.681 57.487 55.803 0.005 0.000 0.850 843 Q CB -0.034 28.716 28.738 0.020 0.000 0.901 843 Q HN 0.643 nan 8.270 nan 0.000 0.429 844 S N -0.340 115.367 115.700 0.012 0.000 2.382 844 S HA -0.121 4.349 4.470 -0.000 0.000 0.228 844 S C 1.976 176.571 174.600 -0.008 0.000 1.027 844 S CA 1.084 59.287 58.200 0.004 0.000 0.991 844 S CB -0.295 62.909 63.200 0.008 0.000 0.823 844 S HN 0.428 nan 8.310 nan 0.000 0.469 845 S N 1.878 117.570 115.700 -0.013 0.000 2.383 845 S HA -0.018 4.451 4.470 -0.000 0.000 0.229 845 S C 1.765 176.352 174.600 -0.022 0.000 1.030 845 S CA 0.917 59.101 58.200 -0.026 0.000 1.002 845 S CB -0.386 62.793 63.200 -0.035 0.000 0.829 845 S HN 0.407 nan 8.310 nan 0.000 0.467 846 I N 2.172 122.734 120.570 -0.014 0.000 2.286 846 I HA -0.158 4.011 4.170 -0.000 0.000 0.248 846 I C 1.814 177.929 176.117 -0.004 0.000 1.115 846 I CA 1.304 62.602 61.300 -0.004 0.000 1.392 846 I CB -1.209 36.790 38.000 -0.002 0.000 1.065 846 I HN 0.202 nan 8.210 nan 0.000 0.418 847 D N 1.110 121.508 120.400 -0.003 0.000 2.149 847 D HA -0.159 4.481 4.640 -0.000 0.000 0.198 847 D C 2.097 178.400 176.300 0.005 0.000 0.990 847 D CA 1.174 55.175 54.000 0.002 0.000 0.839 847 D CB -0.182 40.620 40.800 0.002 0.000 0.948 847 D HN 0.321 nan 8.370 nan 0.000 0.460 848 R N -0.960 119.535 120.500 -0.007 0.000 2.334 848 R HA 0.301 4.641 4.340 -0.000 0.000 0.220 848 R C 1.167 177.460 176.300 -0.012 0.000 0.917 848 R CA 0.481 56.572 56.100 -0.014 0.000 1.073 848 R CB 0.726 31.002 30.300 -0.040 0.000 1.056 848 R HN 0.220 nan 8.270 nan 0.000 0.506 849 G N 0.202 109.010 108.800 0.014 0.000 2.705 849 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.193 849 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.193 849 G C -0.227 174.703 174.900 0.050 0.000 1.015 849 G CA -0.748 44.400 45.100 0.079 0.000 0.743 849 G HN 0.132 nan 8.290 nan 0.000 0.476 850 L N 2.079 123.295 121.223 -0.012 0.000 2.615 850 L HA 0.486 4.826 4.340 -0.000 0.000 0.284 850 L C 1.241 178.136 176.870 0.042 0.000 1.237 850 L CA 1.112 55.913 54.840 -0.066 0.000 0.905 850 L CB -0.789 41.230 42.059 -0.067 0.000 1.149 850 L HN 0.616 nan 8.230 nan 0.000 0.499 851 F N 1.603 121.591 119.950 0.063 0.000 3.093 851 F HA -0.318 4.209 4.527 -0.000 0.000 0.283 851 F C 1.226 177.047 175.800 0.034 0.000 0.848 851 F CA 1.063 59.123 58.000 0.101 0.000 1.059 851 F CB -0.914 38.229 39.000 0.238 0.000 1.191 851 F HN 0.629 nan 8.300 nan 0.000 0.514 852 R N 1.616 122.135 120.500 0.032 0.000 2.543 852 R HA 0.461 4.801 4.340 -0.000 0.000 0.277 852 R C 0.105 176.287 176.300 -0.196 0.000 1.074 852 R CA 0.591 56.559 56.100 -0.220 0.000 1.076 852 R CB 0.897 30.907 30.300 -0.484 0.000 0.993 852 R HN 0.206 nan 8.270 nan 0.000 0.459 853 S N 3.569 119.197 115.700 -0.121 0.000 2.618 853 S HA 0.485 4.955 4.470 -0.000 0.000 0.277 853 S C -0.735 173.950 174.600 0.142 0.000 1.138 853 S CA -1.115 57.133 58.200 0.079 0.000 0.844 853 S CB 1.178 64.429 63.200 0.084 0.000 1.127 853 S HN 0.450 nan 8.310 nan 0.000 0.474 854 L N 1.717 123.056 121.223 0.194 0.000 2.334 854 L HA 0.637 4.976 4.340 -0.000 0.000 0.277 854 L C -0.971 175.902 176.870 0.005 0.000 1.075 854 L CA -0.655 54.213 54.840 0.047 0.000 0.804 854 L CB 0.908 42.940 42.059 -0.045 0.000 1.174 854 L HN 0.742 nan 8.230 nan 0.000 0.438 855 F N 3.568 123.350 119.950 -0.280 0.000 2.507 855 F HA 0.631 5.158 4.527 -0.000 0.000 0.328 855 F C -1.383 174.234 175.800 -0.304 0.000 1.136 855 F CA -0.853 57.046 58.000 -0.169 0.000 0.930 855 F CB 1.043 39.993 39.000 -0.083 0.000 1.166 855 F HN 0.098 nan 8.300 nan 0.000 0.436 856 F N 5.289 124.776 119.950 -0.771 0.000 2.540 856 F HA 0.634 5.161 4.527 -0.000 0.000 0.317 856 F C -0.276 175.071 175.800 -0.755 0.000 1.104 856 F CA -0.832 56.821 58.000 -0.579 0.000 0.913 856 F CB 2.132 40.997 39.000 -0.224 0.000 1.170 856 F HN 0.454 nan 8.300 nan 0.000 0.450 857 R N 0.914 121.220 120.500 -0.322 0.000 2.686 857 R HA 0.743 5.083 4.340 -0.000 0.000 0.286 857 R C -1.416 174.822 176.300 -0.103 0.000 0.969 857 R CA -0.452 55.496 56.100 -0.253 0.000 0.898 857 R CB 1.844 32.009 30.300 -0.225 0.000 1.183 857 R HN 0.705 nan 8.270 nan 0.000 0.456 858 S N 2.631 118.246 115.700 -0.141 0.000 2.454 858 S HA 0.434 4.903 4.470 -0.000 0.000 0.306 858 S C -1.501 173.055 174.600 -0.074 0.000 1.100 858 S CA -0.453 57.737 58.200 -0.018 0.000 1.087 858 S CB 0.674 63.852 63.200 -0.038 0.000 1.019 858 S HN 0.383 nan 8.310 nan 0.000 0.480 859 Y N 2.092 122.381 120.300 -0.020 0.000 2.323 859 Y HA 0.493 5.043 4.550 -0.000 0.000 0.331 859 Y C 0.488 176.378 175.900 -0.015 0.000 1.092 859 Y CA -0.654 57.440 58.100 -0.011 0.000 1.150 859 Y CB 0.771 39.229 38.460 -0.003 0.000 1.200 859 Y HN 0.424 nan 8.280 nan 0.000 0.472 860 M N 2.248 121.919 119.600 0.119 0.000 2.573 860 M HA 0.391 4.871 4.480 -0.000 0.000 0.309 860 M C -1.492 174.901 176.300 0.154 0.000 1.202 860 M CA -0.346 55.007 55.300 0.089 0.000 0.975 860 M CB 1.825 34.447 32.600 0.035 0.000 1.600 860 M HN 0.764 nan 8.290 nan 0.000 0.479 861 D N 0.621 121.151 120.400 0.217 0.000 2.717 861 D HA 0.290 4.930 4.640 -0.000 0.000 0.223 861 D C -1.437 175.125 176.300 0.437 0.000 1.240 861 D CA -0.283 53.894 54.000 0.295 0.000 0.801 861 D CB 2.017 43.001 40.800 0.307 0.000 1.556 861 D HN 0.470 nan 8.370 nan 0.000 0.462 862 Q N 0.717 120.703 119.800 0.310 0.000 2.166 862 Q HA 0.418 4.758 4.340 -0.000 0.000 0.226 862 Q C -0.138 175.894 176.000 0.052 0.000 0.989 862 Q CA -0.514 55.396 55.803 0.178 0.000 0.966 862 Q CB 1.784 30.575 28.738 0.089 0.000 1.173 862 Q HN 0.500 nan 8.270 nan 0.000 0.509 863 E N 0.303 120.447 120.200 -0.095 0.000 3.232 863 E HA 0.139 4.489 4.350 -0.000 0.000 0.248 863 E C -0.199 176.291 176.600 -0.183 0.000 1.048 863 E CA -0.541 55.725 56.400 -0.224 0.000 1.204 863 E CB 0.746 30.301 29.700 -0.242 0.000 1.535 863 E HN 0.462 nan 8.360 nan 0.000 0.567 864 K N 0.260 120.549 120.400 -0.184 0.000 2.170 864 K HA -0.178 4.141 4.320 -0.000 0.000 0.250 864 K C -0.330 176.191 176.600 -0.132 0.000 1.055 864 K CA 1.042 57.254 56.287 -0.125 0.000 0.774 864 K CB 0.347 32.790 32.500 -0.094 0.000 1.051 864 K HN 0.392 nan 8.250 nan 0.000 0.539 865 K N -1.895 118.431 120.400 -0.123 0.000 1.744 865 K HA 0.075 4.395 4.320 -0.000 0.000 0.258 865 K C 0.343 176.876 176.600 -0.111 0.000 0.628 865 K CA -0.596 55.562 56.287 -0.215 0.000 0.410 865 K CB -0.091 32.267 32.500 -0.237 0.000 1.986 865 K HN 0.535 nan 8.250 nan 0.000 0.657 866 Y N 1.758 122.053 120.300 -0.008 0.000 2.487 866 Y HA 0.150 4.700 4.550 -0.000 0.000 0.339 866 Y C 0.981 176.877 175.900 -0.007 0.000 1.191 866 Y CA -0.573 57.524 58.100 -0.005 0.000 1.279 866 Y CB -0.007 38.453 38.460 0.001 0.000 1.122 866 Y HN 0.370 nan 8.280 nan 0.000 0.500 867 G N 0.345 109.217 108.800 0.120 0.000 2.377 867 G HA2 0.245 4.205 3.960 -0.000 0.000 0.299 867 G HA3 0.245 4.205 3.960 -0.000 0.000 0.299 867 G C 0.036 174.967 174.900 0.052 0.000 1.150 867 G CA -0.785 44.356 45.100 0.068 0.000 0.847 867 G HN 0.169 nan 8.290 nan 0.000 0.501 868 M N 2.345 121.967 119.600 0.036 0.000 3.584 868 M HA -0.021 4.459 4.480 -0.000 0.000 0.190 868 M C 0.880 177.188 176.300 0.013 0.000 1.679 868 M CA 0.458 55.772 55.300 0.023 0.000 1.744 868 M CB -1.064 31.545 32.600 0.015 0.000 1.228 868 M HN 0.667 nan 8.290 nan 0.000 0.532 869 S N 0.995 116.703 115.700 0.012 0.000 3.420 869 S HA -0.151 4.318 4.470 -0.000 0.000 0.367 869 S C 0.367 174.965 174.600 -0.002 0.000 1.063 869 S CA 0.320 58.521 58.200 0.002 0.000 1.073 869 S CB -1.278 61.921 63.200 -0.001 0.000 0.905 869 S HN 0.602 nan 8.310 nan 0.000 0.485 870 I N 2.434 123.005 120.570 0.002 0.000 2.206 870 I HA 0.138 4.307 4.170 -0.000 0.000 0.292 870 I C 1.050 177.159 176.117 -0.013 0.000 1.156 870 I CA 0.633 61.932 61.300 -0.002 0.000 1.356 870 I CB -0.420 37.585 38.000 0.008 0.000 1.494 870 I HN 0.157 nan 8.210 nan 0.000 0.601 871 T N 4.769 119.308 114.554 -0.025 0.000 2.936 871 T HA 0.435 4.785 4.350 -0.000 0.000 0.282 871 T C 0.158 174.820 174.700 -0.063 0.000 1.003 871 T CA -0.385 61.688 62.100 -0.045 0.000 1.005 871 T CB 1.936 70.779 68.868 -0.041 0.000 1.097 871 T HN 0.436 nan 8.240 nan 0.000 0.532 872 E N 0.031 120.170 120.200 -0.101 0.000 2.339 872 E HA 0.657 5.007 4.350 -0.000 0.000 0.262 872 E C -1.236 175.243 176.600 -0.201 0.000 0.934 872 E CA -0.832 55.483 56.400 -0.140 0.000 0.802 872 E CB 2.132 31.734 29.700 -0.163 0.000 1.275 872 E HN 0.440 nan 8.360 nan 0.000 0.427 873 T N 1.099 115.515 114.554 -0.230 0.000 3.395 873 T HA 0.248 4.598 4.350 -0.000 0.000 0.330 873 T C -1.166 173.455 174.700 -0.131 0.000 1.076 873 T CA -0.652 61.338 62.100 -0.183 0.000 1.070 873 T CB 0.247 69.075 68.868 -0.066 0.000 1.119 873 T HN 0.263 nan 8.240 nan 0.000 0.462 874 F N 2.817 122.779 119.950 0.021 0.000 2.466 874 F HA 0.442 4.969 4.527 -0.000 0.000 0.363 874 F C 1.099 176.918 175.800 0.031 0.000 1.109 874 F CA 0.126 58.144 58.000 0.029 0.000 1.161 874 F CB 0.474 39.490 39.000 0.027 0.000 1.117 874 F HN 0.413 nan 8.300 nan 0.000 0.539 875 E N 2.691 123.018 120.200 0.211 0.000 2.451 875 E HA 0.039 4.389 4.350 -0.000 0.000 0.295 875 E C -1.096 175.586 176.600 0.136 0.000 0.966 875 E CA -1.045 55.442 56.400 0.144 0.000 0.808 875 E CB 1.574 31.326 29.700 0.087 0.000 1.242 875 E HN 0.443 nan 8.360 nan 0.000 0.412 876 K N 4.878 125.353 120.400 0.124 0.000 2.264 876 K HA -0.001 4.319 4.320 -0.000 0.000 0.262 876 K C -2.026 174.634 176.600 0.099 0.000 1.247 876 K CA -0.460 55.912 56.287 0.141 0.000 1.248 876 K CB 0.153 32.714 32.500 0.102 0.000 0.825 876 K HN 0.115 nan 8.250 nan 0.000 0.468 877 P HA -0.010 nan 4.420 nan 0.000 0.274 877 P C -0.356 176.875 177.300 -0.114 0.000 1.260 877 P CA -0.049 63.042 63.100 -0.016 0.000 0.793 877 P CB 0.881 32.564 31.700 -0.028 0.000 1.048 878 Q N -0.959 118.775 119.800 -0.111 0.000 2.279 878 Q HA 0.171 4.511 4.340 -0.000 0.000 0.261 878 Q C -0.372 175.543 176.000 -0.142 0.000 0.796 878 Q CA -0.011 55.709 55.803 -0.137 0.000 0.971 878 Q CB 0.957 29.647 28.738 -0.079 0.000 1.179 878 Q HN 0.438 nan 8.270 nan 0.000 0.505 879 R N 0.141 120.575 120.500 -0.109 0.000 2.411 879 R HA -0.036 4.304 4.340 -0.000 0.000 0.295 879 R C -1.349 174.921 176.300 -0.050 0.000 1.023 879 R CA 0.240 56.296 56.100 -0.074 0.000 0.593 879 R CB -1.723 28.539 30.300 -0.064 0.000 1.593 879 R HN 0.024 nan 8.270 nan 0.000 0.366 880 T N 0.050 114.577 114.554 -0.044 0.000 3.514 880 T HA 0.302 4.652 4.350 -0.000 0.000 0.259 880 T C 0.521 175.207 174.700 -0.024 0.000 1.466 880 T CA -0.434 61.648 62.100 -0.030 0.000 1.562 880 T CB 0.352 69.204 68.868 -0.026 0.000 0.924 880 T HN 0.550 nan 8.240 nan 0.000 0.678 881 N N 0.374 119.060 118.700 -0.023 0.000 3.003 881 N HA -0.193 4.547 4.740 -0.000 0.000 0.237 881 N C 0.430 175.928 175.510 -0.019 0.000 0.969 881 N CA 1.627 54.666 53.050 -0.019 0.000 0.941 881 N CB -0.803 37.676 38.487 -0.014 0.000 1.098 881 N HN 0.638 nan 8.380 nan 0.000 0.563 882 T N -1.356 113.184 114.554 -0.023 0.000 3.680 882 T HA 0.126 4.476 4.350 -0.000 0.000 0.299 882 T C 0.484 175.166 174.700 -0.030 0.000 0.922 882 T CA 0.498 62.585 62.100 -0.022 0.000 1.100 882 T CB 0.368 69.226 68.868 -0.018 0.000 1.149 882 T HN 0.485 nan 8.240 nan 0.000 0.507 883 L N 0.316 121.516 121.223 -0.039 0.000 3.608 883 L HA -0.114 4.226 4.340 -0.000 0.000 0.422 883 L C 0.285 177.123 176.870 -0.054 0.000 1.260 883 L CA 0.214 55.020 54.840 -0.057 0.000 0.889 883 L CB -2.172 39.855 42.059 -0.053 0.000 1.821 883 L HN 0.214 nan 8.230 nan 0.000 0.884 884 R N 0.565 121.042 120.500 -0.039 0.000 4.886 884 R HA 0.339 4.679 4.340 -0.000 0.000 0.181 884 R C 0.509 176.796 176.300 -0.022 0.000 1.989 884 R CA 0.013 56.096 56.100 -0.029 0.000 1.623 884 R CB -0.033 30.260 30.300 -0.011 0.000 1.383 884 R HN 0.587 nan 8.270 nan 0.000 0.847 885 M N 0.384 119.956 119.600 -0.046 0.000 2.513 885 M HA 0.312 4.792 4.480 -0.000 0.000 0.250 885 M C 0.174 176.485 176.300 0.018 0.000 1.145 885 M CA -0.253 55.032 55.300 -0.025 0.000 0.948 885 M CB 0.961 33.464 32.600 -0.161 0.000 1.405 885 M HN -0.128 nan 8.290 nan 0.000 0.546 886 K N 0.449 120.950 120.400 0.168 0.000 2.270 886 K HA 0.261 4.580 4.320 -0.000 0.000 0.255 886 K C 0.158 176.857 176.600 0.164 0.000 0.936 886 K CA -0.656 55.723 56.287 0.153 0.000 0.809 886 K CB 1.154 33.780 32.500 0.211 0.000 1.131 886 K HN 0.624 nan 8.250 nan 0.000 0.427 887 H N 0.712 119.842 119.070 0.100 0.000 2.545 887 H HA -0.108 4.448 4.556 -0.000 0.000 0.294 887 H C 0.855 176.225 175.328 0.070 0.000 1.077 887 H CA 0.878 56.968 56.048 0.071 0.000 1.197 887 H CB -0.064 29.726 29.762 0.048 0.000 1.347 887 H HN 0.647 nan 8.280 nan 0.000 0.594 888 G N -0.589 108.323 108.800 0.186 0.000 2.685 888 G HA2 0.383 4.343 3.960 -0.000 0.000 0.298 888 G HA3 0.383 4.343 3.960 -0.000 0.000 0.298 888 G C -0.597 174.397 174.900 0.157 0.000 1.277 888 G CA -0.655 44.513 45.100 0.113 0.000 0.986 888 G HN 0.104 nan 8.290 nan 0.000 0.487 889 T N 0.070 114.683 114.554 0.098 0.000 2.856 889 T HA 0.243 4.593 4.350 -0.000 0.000 0.292 889 T C -0.108 174.680 174.700 0.146 0.000 0.980 889 T CA -0.083 62.109 62.100 0.154 0.000 1.091 889 T CB 1.253 70.174 68.868 0.089 0.000 0.936 889 T HN 0.368 nan 8.240 nan 0.000 0.503 890 Y N 0.011 120.317 120.300 0.009 0.000 2.457 890 Y HA 0.182 4.732 4.550 0.000 0.000 0.263 890 Y C 1.585 177.487 175.900 0.004 0.000 1.164 890 Y CA -0.921 57.183 58.100 0.006 0.000 1.274 890 Y CB -0.336 38.129 38.460 0.009 0.000 1.097 890 Y HN 0.588 nan 8.280 nan 0.000 0.523 891 D N 0.200 120.682 120.400 0.137 0.000 2.411 891 D HA -0.099 4.541 4.640 -0.000 0.000 0.226 891 D C 1.272 177.604 176.300 0.054 0.000 0.988 891 D CA 1.127 55.179 54.000 0.086 0.000 0.938 891 D CB 0.028 40.864 40.800 0.059 0.000 0.883 891 D HN 0.325 nan 8.370 nan 0.000 0.525 892 K N -0.850 119.572 120.400 0.037 0.000 2.373 892 K HA 0.200 4.520 4.320 -0.000 0.000 0.200 892 K C 0.398 177.001 176.600 0.005 0.000 1.054 892 K CA -0.119 56.173 56.287 0.008 0.000 1.065 892 K CB 1.001 33.492 32.500 -0.014 0.000 0.886 892 K HN 0.058 nan 8.250 nan 0.000 0.546 893 L N 1.421 122.656 121.223 0.021 0.000 2.466 893 L HA 0.189 4.529 4.340 -0.000 0.000 0.257 893 L C 0.157 177.043 176.870 0.027 0.000 1.189 893 L CA -0.285 54.566 54.840 0.018 0.000 0.813 893 L CB 0.221 42.305 42.059 0.043 0.000 1.118 893 L HN 0.003 nan 8.230 nan 0.000 0.471 894 D N -0.357 120.054 120.400 0.018 0.000 2.437 894 D HA 0.121 4.761 4.640 -0.000 0.000 0.259 894 D C 0.362 176.681 176.300 0.032 0.000 1.118 894 D CA -0.399 53.613 54.000 0.019 0.000 1.017 894 D CB 0.984 41.790 40.800 0.009 0.000 1.120 894 D HN 0.405 nan 8.370 nan 0.000 0.541 895 D N -0.609 119.810 120.400 0.032 0.000 2.348 895 D HA -0.076 4.564 4.640 -0.000 0.000 0.216 895 D C 0.713 177.042 176.300 0.049 0.000 0.970 895 D CA 0.659 54.682 54.000 0.039 0.000 0.889 895 D CB -0.050 40.769 40.800 0.031 0.000 0.912 895 D HN 0.349 nan 8.370 nan 0.000 0.524 896 D N -0.712 119.715 120.400 0.044 0.000 2.327 896 D HA 0.173 4.813 4.640 -0.000 0.000 0.205 896 D C 1.402 177.750 176.300 0.080 0.000 0.989 896 D CA 0.573 54.609 54.000 0.060 0.000 0.873 896 D CB -0.246 40.574 40.800 0.032 0.000 0.955 896 D HN 0.140 nan 8.370 nan 0.000 0.515 897 G N 0.175 109.010 108.800 0.057 0.000 2.427 897 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.193 897 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.193 897 G C -0.541 174.357 174.900 -0.004 0.000 1.086 897 G CA -0.309 44.834 45.100 0.072 0.000 0.818 897 G HN 0.277 nan 8.290 nan 0.000 0.490 898 L N 0.122 121.325 121.223 -0.033 0.000 2.562 898 L HA 0.474 4.814 4.340 -0.000 0.000 0.266 898 L C 0.679 177.520 176.870 -0.050 0.000 0.949 898 L CA -0.996 53.800 54.840 -0.073 0.000 0.879 898 L CB 1.802 43.808 42.059 -0.088 0.000 1.278 898 L HN 0.119 nan 8.230 nan 0.000 0.404 899 I N 1.881 122.416 120.570 -0.058 0.000 3.138 899 I HA 0.403 4.573 4.170 -0.000 0.000 0.288 899 I C 0.678 176.775 176.117 -0.034 0.000 1.148 899 I CA -0.054 61.220 61.300 -0.043 0.000 1.315 899 I CB 1.196 39.163 38.000 -0.054 0.000 1.426 899 I HN 0.678 nan 8.210 nan 0.000 0.615 900 A N 3.927 126.734 122.820 -0.021 0.000 2.386 900 A HA 0.680 5.000 4.320 -0.000 0.000 0.311 900 A C -2.545 175.034 177.584 -0.007 0.000 1.068 900 A CA -1.722 50.307 52.037 -0.013 0.000 0.743 900 A CB 0.959 19.955 19.000 -0.007 0.000 1.258 900 A HN 0.356 nan 8.150 nan 0.000 0.429 901 P HA 0.189 nan 4.420 nan 0.000 0.264 901 P C 1.137 178.440 177.300 0.006 0.000 1.173 901 P CA 2.448 65.552 63.100 0.005 0.000 0.761 901 P CB 0.522 32.227 31.700 0.007 0.000 0.794 902 G N 0.567 109.373 108.800 0.009 0.000 2.238 902 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 902 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 902 G C -0.033 174.871 174.900 0.006 0.000 0.996 902 G CA -0.180 44.925 45.100 0.009 0.000 0.632 902 G HN 0.541 nan 8.290 nan 0.000 0.503 903 V N 2.324 122.239 119.914 0.002 0.000 2.530 903 V HA 0.471 4.591 4.120 -0.000 0.000 0.282 903 V C 1.269 177.362 176.094 -0.001 0.000 1.048 903 V CA -0.396 61.903 62.300 -0.001 0.000 0.997 903 V CB 1.249 33.069 31.823 -0.006 0.000 0.987 903 V HN 0.429 nan 8.190 nan 0.000 0.477 904 R N 2.325 122.826 120.500 0.002 0.000 2.641 904 R HA 0.550 4.890 4.340 -0.000 0.000 0.269 904 R C -0.344 175.954 176.300 -0.004 0.000 1.074 904 R CA -0.090 56.011 56.100 0.002 0.000 1.133 904 R CB 1.195 31.499 30.300 0.006 0.000 1.029 904 R HN 0.747 nan 8.270 nan 0.000 0.488 905 V N -2.287 117.625 119.914 -0.003 0.000 3.181 905 V HA 0.880 5.000 4.120 -0.000 0.000 0.308 905 V C -0.592 175.501 176.094 -0.002 0.000 1.214 905 V CA -0.606 61.687 62.300 -0.013 0.000 1.053 905 V CB 2.135 33.938 31.823 -0.034 0.000 1.069 905 V HN 0.766 nan 8.190 nan 0.000 0.441 906 S N -0.918 114.779 115.700 -0.006 0.000 2.656 906 S HA 0.707 5.177 4.470 -0.000 0.000 0.265 906 S C 0.433 175.036 174.600 0.007 0.000 1.132 906 S CA 0.763 58.967 58.200 0.006 0.000 0.819 906 S CB 0.829 64.033 63.200 0.007 0.000 1.119 906 S HN 2.931 nan 8.310 nan 0.000 0.476 907 G N 1.992 110.802 108.800 0.016 0.000 2.684 907 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.342 907 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.342 907 G C -0.090 174.820 174.900 0.017 0.000 1.316 907 G CA 1.158 46.270 45.100 0.019 0.000 0.994 907 G HN 1.014 nan 8.290 nan 0.000 0.541 908 E N 0.702 120.910 120.200 0.012 0.000 2.995 908 E HA 0.264 4.614 4.350 -0.000 0.000 0.203 908 E C -0.958 175.623 176.600 -0.032 0.000 0.980 908 E CA -0.507 55.897 56.400 0.006 0.000 1.172 908 E CB 0.440 30.163 29.700 0.038 0.000 1.088 908 E HN 0.420 nan 8.360 nan 0.000 0.463 909 D N 1.814 122.186 120.400 -0.047 0.000 2.629 909 D HA -0.051 4.589 4.640 -0.000 0.000 0.228 909 D C 0.122 176.327 176.300 -0.159 0.000 1.127 909 D CA 0.483 54.433 54.000 -0.084 0.000 0.855 909 D CB 1.013 41.771 40.800 -0.069 0.000 1.180 909 D HN -0.075 nan 8.370 nan 0.000 0.484 910 V N 3.506 123.270 119.914 -0.251 0.000 2.686 910 V HA 0.038 4.158 4.120 -0.000 0.000 0.295 910 V C 1.225 177.166 176.094 -0.255 0.000 1.055 910 V CA 0.043 62.136 62.300 -0.346 0.000 1.050 910 V CB 1.461 32.872 31.823 -0.687 0.000 0.984 910 V HN 0.446 nan 8.190 nan 0.000 0.482 911 I N 4.241 124.667 120.570 -0.240 0.000 4.433 911 I HA 0.368 4.538 4.170 -0.000 0.000 0.322 911 I C 0.250 176.266 176.117 -0.169 0.000 1.284 911 I CA 0.686 61.860 61.300 -0.210 0.000 1.269 911 I CB 0.636 38.450 38.000 -0.309 0.000 1.219 911 I HN 0.390 nan 8.210 nan 0.000 0.436 912 I N 0.439 120.915 120.570 -0.156 0.000 2.447 912 I HA 0.474 4.644 4.170 -0.000 0.000 0.287 912 I C 0.232 176.340 176.117 -0.016 0.000 1.023 912 I CA -0.572 60.674 61.300 -0.089 0.000 1.083 912 I CB 1.617 39.584 38.000 -0.055 0.000 1.245 912 I HN 0.032 nan 8.210 nan 0.000 0.434 913 G N 5.309 114.140 108.800 0.052 0.000 2.395 913 G HA2 0.616 4.576 3.960 -0.000 0.000 0.283 913 G HA3 0.616 4.576 3.960 -0.000 0.000 0.283 913 G C -0.799 174.267 174.900 0.277 0.000 1.178 913 G CA -0.209 44.986 45.100 0.160 0.000 0.837 913 G HN 0.561 nan 8.290 nan 0.000 0.518 914 K N -0.421 120.117 120.400 0.231 0.000 2.615 914 K HA 0.619 4.939 4.320 -0.000 0.000 0.291 914 K C -1.091 175.563 176.600 0.091 0.000 1.017 914 K CA -0.682 55.703 56.287 0.162 0.000 0.882 914 K CB 2.211 34.789 32.500 0.130 0.000 1.522 914 K HN 0.740 nan 8.250 nan 0.000 0.412 915 T N -1.497 113.063 114.554 0.011 0.000 2.883 915 T HA 0.563 4.913 4.350 -0.000 0.000 0.301 915 T C -0.462 174.224 174.700 -0.023 0.000 1.158 915 T CA -0.653 61.450 62.100 0.005 0.000 1.007 915 T CB 1.829 70.700 68.868 0.005 0.000 1.186 915 T HN 0.391 nan 8.240 nan 0.000 0.499 934 K N 2.233 122.623 120.400 -0.016 0.000 3.082 934 K HA 0.381 4.701 4.320 -0.000 0.000 0.203 934 K C -0.676 175.915 176.600 -0.014 0.000 1.177 934 K CA -0.263 56.013 56.287 -0.018 0.000 1.041 934 K CB 0.475 32.955 32.500 -0.034 0.000 1.312 934 K HN 0.079 nan 8.250 nan 0.000 0.526 935 R N 2.326 122.821 120.500 -0.008 0.000 2.387 935 R HA 0.004 4.344 4.340 -0.000 0.000 0.321 935 R C -0.084 176.221 176.300 0.008 0.000 1.174 935 R CA 0.051 56.151 56.100 -0.001 0.000 1.002 935 R CB -0.353 29.946 30.300 -0.002 0.000 1.028 935 R HN 0.346 nan 8.270 nan 0.000 0.482 936 D N 2.121 122.531 120.400 0.017 0.000 2.401 936 D HA 0.017 4.657 4.640 -0.000 0.000 0.254 936 D C -0.448 175.886 176.300 0.057 0.000 1.192 936 D CA 0.178 54.208 54.000 0.050 0.000 0.885 936 D CB 0.850 41.694 40.800 0.072 0.000 1.147 936 D HN 0.462 nan 8.370 nan 0.000 0.478 937 A N 3.423 126.283 122.820 0.066 0.000 3.041 937 A HA 0.303 4.623 4.320 -0.000 0.000 0.307 937 A C 0.206 177.845 177.584 0.090 0.000 1.116 937 A CA -0.557 51.517 52.037 0.062 0.000 1.001 937 A CB 0.003 19.021 19.000 0.030 0.000 1.112 937 A HN 0.400 nan 8.150 nan 0.000 0.556 938 S N 0.094 115.854 115.700 0.100 0.000 2.537 938 S HA 0.705 5.175 4.470 -0.000 0.000 0.301 938 S C -0.113 174.503 174.600 0.026 0.000 1.092 938 S CA -0.221 58.032 58.200 0.089 0.000 1.048 938 S CB 1.237 64.522 63.200 0.142 0.000 1.053 938 S HN 0.304 nan 8.310 nan 0.000 0.501 939 T N 5.062 119.612 114.554 -0.006 0.000 2.829 939 T HA 0.730 5.079 4.350 -0.000 0.000 0.282 939 T C -2.767 171.866 174.700 -0.112 0.000 0.990 939 T CA -1.071 61.013 62.100 -0.026 0.000 1.028 939 T CB 1.408 70.272 68.868 -0.006 0.000 0.951 939 T HN 0.602 nan 8.240 nan 0.000 0.460 940 P HA 0.545 nan 4.420 nan 0.000 0.299 940 P C -1.157 176.067 177.300 -0.125 0.000 1.329 940 P CA -1.183 61.836 63.100 -0.135 0.000 1.073 940 P CB 1.127 32.782 31.700 -0.076 0.000 1.510 941 L N 2.079 123.206 121.223 -0.159 0.000 2.499 941 L HA 0.157 4.497 4.340 -0.000 0.000 0.273 941 L C 0.704 177.612 176.870 0.062 0.000 1.195 941 L CA 0.153 54.914 54.840 -0.132 0.000 0.882 941 L CB -0.139 41.864 42.059 -0.093 0.000 1.133 941 L HN 0.258 nan 8.230 nan 0.000 0.483 942 R N 3.329 123.973 120.500 0.241 0.000 2.478 942 R HA -0.121 4.218 4.340 -0.000 0.000 0.281 942 R C 1.653 178.029 176.300 0.126 0.000 0.939 942 R CA 0.793 57.011 56.100 0.197 0.000 1.120 942 R CB -0.415 30.013 30.300 0.213 0.000 0.885 942 R HN 0.993 nan 8.270 nan 0.000 0.415 943 S N 1.950 117.714 115.700 0.108 0.000 2.429 943 S HA -0.301 4.169 4.470 -0.000 0.000 0.251 943 S C 1.579 176.227 174.600 0.081 0.000 1.104 943 S CA 2.417 60.673 58.200 0.095 0.000 1.130 943 S CB -0.647 62.621 63.200 0.114 0.000 1.000 943 S HN 0.791 nan 8.310 nan 0.000 0.449 944 T N -0.933 113.670 114.554 0.082 0.000 3.065 944 T HA 0.294 4.644 4.350 -0.000 0.000 0.252 944 T C 0.466 175.178 174.700 0.021 0.000 1.099 944 T CA -0.109 62.009 62.100 0.030 0.000 1.063 944 T CB -0.101 68.757 68.868 -0.016 0.000 0.948 944 T HN 0.492 nan 8.240 nan 0.000 0.506 945 E N 2.748 122.983 120.200 0.058 0.000 2.283 945 E HA 0.446 4.796 4.350 -0.000 0.000 0.271 945 E C -0.494 176.146 176.600 0.066 0.000 1.031 945 E CA -0.677 55.771 56.400 0.081 0.000 0.868 945 E CB 0.710 30.498 29.700 0.147 0.000 1.094 945 E HN 0.503 nan 8.360 nan 0.000 0.401 946 N N 0.397 119.139 118.700 0.070 0.000 2.859 946 N HA 0.594 5.334 4.740 -0.000 0.000 0.250 946 N C -0.630 174.914 175.510 0.055 0.000 1.341 946 N CA -0.498 52.582 53.050 0.050 0.000 0.881 946 N CB 1.663 40.168 38.487 0.030 0.000 1.516 946 N HN 0.638 nan 8.380 nan 0.000 0.503 947 G N -0.444 108.378 108.800 0.037 0.000 2.333 947 G HA2 0.440 4.400 3.960 -0.000 0.000 0.288 947 G HA3 0.440 4.400 3.960 -0.000 0.000 0.288 947 G C -2.070 172.840 174.900 0.017 0.000 1.286 947 G CA -0.711 44.408 45.100 0.030 0.000 0.865 947 G HN 0.651 nan 8.290 nan 0.000 0.506 948 I N 0.258 120.836 120.570 0.012 0.000 2.627 948 I HA 0.353 4.523 4.170 -0.000 0.000 0.288 948 I C -0.108 176.019 176.117 0.016 0.000 1.202 948 I CA -0.805 60.501 61.300 0.010 0.000 1.050 948 I CB 2.276 40.282 38.000 0.010 0.000 1.264 948 I HN 0.391 nan 8.210 nan 0.000 0.429 949 V N 5.788 125.710 119.914 0.012 0.000 2.715 949 V HA 0.061 4.181 4.120 -0.000 0.000 0.299 949 V C 0.569 176.683 176.094 0.033 0.000 1.054 949 V CA 0.622 62.933 62.300 0.018 0.000 1.077 949 V CB 1.337 33.159 31.823 -0.001 0.000 0.972 949 V HN 0.863 nan 8.190 nan 0.000 0.484 950 D N 2.197 122.631 120.400 0.056 0.000 2.318 950 D HA 0.133 4.773 4.640 -0.000 0.000 0.294 950 D C 0.312 176.650 176.300 0.063 0.000 1.091 950 D CA 0.194 54.240 54.000 0.078 0.000 0.883 950 D CB 1.222 42.113 40.800 0.151 0.000 1.545 950 D HN 0.632 nan 8.370 nan 0.000 0.513 951 Q N 0.378 120.210 119.800 0.054 0.000 2.391 951 Q HA 0.494 4.834 4.340 -0.000 0.000 0.279 951 Q C -1.829 174.179 176.000 0.015 0.000 1.028 951 Q CA -0.724 55.095 55.803 0.026 0.000 0.836 951 Q CB 3.487 32.234 28.738 0.015 0.000 1.414 951 Q HN -0.118 nan 8.270 nan 0.000 0.397 952 V N 2.662 122.577 119.914 0.002 0.000 2.760 952 V HA 0.675 4.795 4.120 -0.000 0.000 0.309 952 V C -1.184 174.905 176.094 -0.008 0.000 1.077 952 V CA -0.719 61.575 62.300 -0.010 0.000 0.910 952 V CB 2.145 33.952 31.823 -0.027 0.000 1.008 952 V HN 0.697 nan 8.190 nan 0.000 0.424 953 L N 4.677 125.896 121.223 -0.006 0.000 2.493 953 L HA 0.865 5.205 4.340 -0.000 0.000 0.265 953 L C -1.821 175.064 176.870 0.025 0.000 0.954 953 L CA -0.281 54.565 54.840 0.010 0.000 0.844 953 L CB 2.110 44.174 42.059 0.009 0.000 1.302 953 L HN 0.472 nan 8.230 nan 0.000 0.405 954 V N 3.491 123.432 119.914 0.046 0.000 2.686 954 V HA 0.845 4.965 4.120 -0.000 0.000 0.306 954 V C -0.365 175.796 176.094 0.111 0.000 1.065 954 V CA 0.059 62.402 62.300 0.072 0.000 0.894 954 V CB 2.260 34.103 31.823 0.033 0.000 1.004 954 V HN 0.991 nan 8.190 nan 0.000 0.424 955 T N 0.514 115.174 114.554 0.177 0.000 2.653 955 T HA 0.503 4.853 4.350 -0.000 0.000 0.306 955 T C -0.736 174.048 174.700 0.139 0.000 1.426 955 T CA -0.813 61.389 62.100 0.171 0.000 1.008 955 T CB 1.861 70.868 68.868 0.231 0.000 1.692 955 T HN 0.464 nan 8.240 nan 0.000 0.483 956 T N 1.772 116.387 114.554 0.101 0.000 2.807 956 T HA 0.476 4.825 4.350 -0.000 0.000 0.279 956 T C 0.402 175.120 174.700 0.030 0.000 0.993 956 T CA -0.820 61.262 62.100 -0.030 0.000 0.970 956 T CB 1.344 70.215 68.868 0.004 0.000 0.950 956 T HN 0.738 nan 8.240 nan 0.000 0.441 957 N N 1.532 120.110 118.700 -0.204 0.000 2.149 957 N HA -0.110 4.630 4.740 -0.000 0.000 0.215 957 N C 1.489 177.040 175.510 0.068 0.000 1.357 957 N CA 0.211 53.271 53.050 0.017 0.000 0.869 957 N CB 0.523 38.826 38.487 -0.306 0.000 1.063 957 N HN 0.713 nan 8.380 nan 0.000 0.439 958 Q N -0.407 119.452 119.800 0.098 0.000 2.172 958 Q HA -0.074 4.266 4.340 -0.000 0.000 0.200 958 Q C 0.388 176.414 176.000 0.044 0.000 0.964 958 Q CA 1.102 56.953 55.803 0.081 0.000 0.855 958 Q CB 0.046 28.844 28.738 0.100 0.000 0.918 958 Q HN 0.528 nan 8.270 nan 0.000 0.444 959 D N -0.485 119.929 120.400 0.022 0.000 2.350 959 D HA 0.100 4.739 4.640 -0.000 0.000 0.213 959 D C 1.013 177.295 176.300 -0.029 0.000 1.031 959 D CA 0.969 54.975 54.000 0.009 0.000 0.861 959 D CB 0.931 41.739 40.800 0.014 0.000 0.926 959 D HN 0.485 nan 8.370 nan 0.000 0.520 960 G N 0.404 109.169 108.800 -0.058 0.000 2.195 960 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.224 960 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.224 960 G C 0.367 175.179 174.900 -0.147 0.000 0.990 960 G CA 0.010 45.062 45.100 -0.080 0.000 0.639 960 G HN 0.271 nan 8.290 nan 0.000 0.514 961 L N 0.338 121.424 121.223 -0.230 0.000 2.517 961 L HA 0.340 4.680 4.340 -0.000 0.000 0.294 961 L C 0.910 177.575 176.870 -0.342 0.000 1.264 961 L CA 0.391 55.051 54.840 -0.300 0.000 0.839 961 L CB 0.264 42.099 42.059 -0.373 0.000 1.098 961 L HN 0.043 nan 8.230 nan 0.000 0.525 962 K N 1.577 121.860 120.400 -0.196 0.000 2.258 962 K HA 0.475 4.795 4.320 -0.000 0.000 0.284 962 K C -1.012 175.532 176.600 -0.093 0.000 1.051 962 K CA 0.282 56.548 56.287 -0.034 0.000 0.923 962 K CB 0.510 33.114 32.500 0.173 0.000 1.046 962 K HN 0.193 nan 8.250 nan 0.000 0.474 963 F N 1.432 121.468 119.950 0.143 0.000 2.508 963 F HA 0.522 5.049 4.527 0.000 0.000 0.325 963 F C -0.121 175.717 175.800 0.064 0.000 1.090 963 F CA -1.196 56.877 58.000 0.121 0.000 0.945 963 F CB 1.685 40.726 39.000 0.068 0.000 1.156 963 F HN 0.071 nan 8.300 nan 0.000 0.463 964 V N 3.225 123.367 119.914 0.380 0.000 2.769 964 V HA 0.502 4.622 4.120 -0.000 0.000 0.312 964 V C -1.018 175.126 176.094 0.084 0.000 1.061 964 V CA -0.800 61.567 62.300 0.111 0.000 0.931 964 V CB 2.368 34.071 31.823 -0.200 0.000 1.010 964 V HN 0.656 nan 8.190 nan 0.000 0.433 965 K N 3.341 123.757 120.400 0.026 0.000 2.507 965 K HA 0.675 4.995 4.320 -0.000 0.000 0.252 965 K C -1.638 174.971 176.600 0.014 0.000 0.943 965 K CA -0.447 55.844 56.287 0.008 0.000 0.808 965 K CB 2.244 34.727 32.500 -0.029 0.000 1.142 965 K HN 0.410 nan 8.250 nan 0.000 0.426 966 V N 3.718 123.661 119.914 0.047 0.000 2.384 966 V HA 0.393 4.513 4.120 -0.000 0.000 0.287 966 V C -0.356 175.809 176.094 0.118 0.000 1.020 966 V CA -0.740 61.590 62.300 0.051 0.000 0.850 966 V CB 1.450 33.279 31.823 0.010 0.000 0.987 966 V HN 0.612 nan 8.190 nan 0.000 0.436 967 R N 3.823 124.378 120.500 0.092 0.000 2.294 967 R HA 0.737 5.076 4.340 -0.000 0.000 0.319 967 R C -1.364 175.016 176.300 0.133 0.000 0.984 967 R CA -0.351 55.823 56.100 0.124 0.000 0.861 967 R CB 1.731 32.086 30.300 0.091 0.000 1.104 967 R HN 0.533 nan 8.270 nan 0.000 0.451 968 V N 4.639 124.643 119.914 0.150 0.000 2.581 968 V HA 0.469 4.589 4.120 -0.000 0.000 0.303 968 V C -0.115 175.997 176.094 0.031 0.000 1.041 968 V CA -0.812 61.548 62.300 0.101 0.000 0.907 968 V CB 1.758 33.670 31.823 0.149 0.000 0.994 968 V HN 0.714 nan 8.190 nan 0.000 0.442 969 R N 2.032 122.515 120.500 -0.030 0.000 2.393 969 R HA 0.712 5.052 4.340 -0.000 0.000 0.310 969 R C -0.932 175.284 176.300 -0.140 0.000 0.968 969 R CA -0.167 55.799 56.100 -0.223 0.000 0.867 969 R CB 1.555 31.753 30.300 -0.170 0.000 1.124 969 R HN 0.854 nan 8.270 nan 0.000 0.450 970 T N 1.816 116.292 114.554 -0.131 0.000 2.900 970 T HA 0.317 4.667 4.350 -0.000 0.000 0.295 970 T C -0.828 173.872 174.700 -0.001 0.000 1.044 970 T CA -0.531 61.569 62.100 -0.001 0.000 0.995 970 T CB 1.999 70.932 68.868 0.108 0.000 1.072 970 T HN 0.426 nan 8.240 nan 0.000 0.473 971 T N 2.910 117.480 114.554 0.027 0.000 2.824 971 T HA 0.461 4.811 4.350 -0.000 0.000 0.280 971 T C -0.510 174.196 174.700 0.011 0.000 0.995 971 T CA -0.742 61.385 62.100 0.044 0.000 1.009 971 T CB 0.603 69.528 68.868 0.096 0.000 0.955 971 T HN 0.354 nan 8.240 nan 0.000 0.452 972 K N 3.346 123.740 120.400 -0.011 0.000 2.358 972 K HA 0.511 4.831 4.320 -0.000 0.000 0.260 972 K C -0.728 175.841 176.600 -0.052 0.000 0.956 972 K CA -0.555 55.715 56.287 -0.028 0.000 0.834 972 K CB 1.999 34.480 32.500 -0.033 0.000 1.102 972 K HN 0.481 nan 8.250 nan 0.000 0.431 973 I N 4.370 124.916 120.570 -0.039 0.000 2.385 973 I HA 0.216 4.386 4.170 -0.000 0.000 0.294 973 I C -2.126 174.002 176.117 0.018 0.000 0.988 973 I CA -2.469 58.812 61.300 -0.032 0.000 1.265 973 I CB 1.708 39.689 38.000 -0.032 0.000 1.388 973 I HN 0.251 nan 8.210 nan 0.000 0.480 974 P HA 0.020 nan 4.420 nan 0.000 0.264 974 P C -1.215 176.125 177.300 0.068 0.000 1.179 974 P CA 0.338 63.513 63.100 0.124 0.000 0.763 974 P CB 0.449 32.236 31.700 0.146 0.000 0.806 975 Q N 1.030 120.872 119.800 0.070 0.000 2.534 975 Q HA 0.418 4.758 4.340 -0.000 0.000 0.290 975 Q C -0.688 175.330 176.000 0.030 0.000 0.991 975 Q CA -0.952 54.869 55.803 0.030 0.000 0.783 975 Q CB 1.512 30.260 28.738 0.017 0.000 1.470 975 Q HN 0.284 nan 8.270 nan 0.000 0.406 976 I N 1.828 122.402 120.570 0.007 0.000 2.919 976 I HA -0.067 4.103 4.170 -0.000 0.000 0.299 976 I C 1.152 177.276 176.117 0.010 0.000 1.221 976 I CA 2.134 63.438 61.300 0.006 0.000 1.424 976 I CB -0.108 37.892 38.000 0.000 0.000 1.358 976 I HN 1.014 nan 8.210 nan 0.000 0.551 977 G N 4.564 113.374 108.800 0.017 0.000 2.541 977 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.201 977 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.201 977 G C 0.001 174.901 174.900 0.001 0.000 1.026 977 G CA -0.545 44.554 45.100 -0.001 0.000 0.687 977 G HN 0.534 nan 8.290 nan 0.000 0.492 978 D N 1.625 122.054 120.400 0.048 0.000 2.344 978 D HA 0.532 5.172 4.640 -0.000 0.000 0.244 978 D C 0.482 176.787 176.300 0.010 0.000 1.134 978 D CA 0.264 54.259 54.000 -0.009 0.000 0.930 978 D CB 0.918 41.734 40.800 0.026 0.000 1.175 978 D HN 0.398 nan 8.370 nan 0.000 0.437 979 K N 0.347 120.600 120.400 -0.244 0.000 2.118 979 K HA 0.622 4.942 4.320 -0.000 0.000 0.254 979 K C -0.797 175.420 176.600 -0.640 0.000 0.961 979 K CA -0.569 55.575 56.287 -0.239 0.000 0.876 979 K CB 1.313 33.658 32.500 -0.259 0.000 1.077 979 K HN 0.254 nan 8.250 nan 0.000 0.440 980 F N 0.116 119.986 119.950 -0.132 0.000 2.628 980 F HA 0.543 5.070 4.527 -0.000 0.000 0.309 980 F C -0.768 175.004 175.800 -0.046 0.000 1.108 980 F CA -0.774 57.143 58.000 -0.138 0.000 0.971 980 F CB 2.280 41.176 39.000 -0.172 0.000 1.279 980 F HN 0.564 nan 8.300 nan 0.000 0.441 981 A N 1.141 124.015 122.820 0.090 0.000 2.549 981 A HA 0.776 5.096 4.320 -0.000 0.000 0.297 981 A C -0.595 176.724 177.584 -0.442 0.000 1.061 981 A CA -0.468 51.527 52.037 -0.069 0.000 0.690 981 A CB 1.399 20.340 19.000 -0.099 0.000 1.287 981 A HN 0.853 nan 8.150 nan 0.000 0.402 982 S N 0.702 115.985 115.700 -0.695 0.000 2.632 982 S HA 0.479 4.949 4.470 -0.000 0.000 0.267 982 S C 0.348 174.591 174.600 -0.594 0.000 1.193 982 S CA -0.344 57.343 58.200 -0.854 0.000 1.003 982 S CB 0.316 62.957 63.200 -0.932 0.000 1.073 982 S HN 0.594 nan 8.310 nan 0.000 0.553 983 R N 0.171 120.221 120.500 -0.750 0.000 2.586 983 R HA 0.294 4.634 4.340 -0.000 0.000 0.306 983 R C -0.064 175.857 176.300 -0.631 0.000 1.079 983 R CA -0.041 55.733 56.100 -0.542 0.000 1.083 983 R CB -0.284 29.842 30.300 -0.290 0.000 1.306 983 R HN 0.588 nan 8.270 nan 0.000 0.567 984 H N -0.965 118.009 119.070 -0.159 0.000 2.469 984 H HA 0.313 4.869 4.556 -0.000 0.000 0.286 984 H C 0.946 176.246 175.328 -0.046 0.000 1.106 984 H CA -0.070 55.913 56.048 -0.108 0.000 1.055 984 H CB 0.712 30.400 29.762 -0.124 0.000 1.618 984 H HN 0.361 nan 8.280 nan 0.000 0.559 985 G N 1.576 110.350 108.800 -0.043 0.000 2.153 985 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.252 985 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.252 985 G C 0.170 175.133 174.900 0.106 0.000 0.994 985 G CA 0.299 45.429 45.100 0.051 0.000 0.698 985 G HN 0.418 nan 8.290 nan 0.000 0.521 986 Q N 0.702 120.534 119.800 0.053 0.000 2.341 986 Q HA 0.590 4.930 4.340 -0.000 0.000 0.268 986 Q C 0.455 176.478 176.000 0.039 0.000 1.013 986 Q CA -0.739 55.107 55.803 0.072 0.000 0.798 986 Q CB 0.704 29.511 28.738 0.115 0.000 1.253 986 Q HN 0.622 nan 8.270 nan 0.000 0.457 987 K N 1.281 121.697 120.400 0.028 0.000 2.419 987 K HA 0.935 5.255 4.320 -0.000 0.000 0.246 987 K C -0.182 176.455 176.600 0.062 0.000 1.037 987 K CA -1.050 55.256 56.287 0.033 0.000 0.982 987 K CB 0.992 33.484 32.500 -0.013 0.000 1.283 987 K HN 0.566 nan 8.250 nan 0.000 0.500 988 G N 0.023 108.869 108.800 0.077 0.000 2.667 988 G HA2 0.354 4.314 3.960 -0.000 0.000 0.294 988 G HA3 0.354 4.314 3.960 -0.000 0.000 0.294 988 G C -1.132 173.821 174.900 0.088 0.000 1.467 988 G CA -0.750 44.398 45.100 0.079 0.000 0.852 988 G HN 0.713 nan 8.290 nan 0.000 0.521 989 T N -0.753 113.835 114.554 0.055 0.000 2.927 989 T HA 0.643 4.993 4.350 -0.000 0.000 0.281 989 T C 0.487 175.226 174.700 0.065 0.000 0.998 989 T CA -0.816 61.327 62.100 0.072 0.000 1.019 989 T CB 1.166 70.047 68.868 0.022 0.000 1.061 989 T HN 0.393 nan 8.240 nan 0.000 0.518 990 I N 2.253 122.867 120.570 0.074 0.000 2.598 990 I HA 0.196 4.366 4.170 -0.000 0.000 0.284 990 I C 1.538 177.651 176.117 -0.006 0.000 1.140 990 I CA 0.174 61.470 61.300 -0.008 0.000 1.420 990 I CB 0.404 38.398 38.000 -0.009 0.000 1.387 990 I HN 1.089 nan 8.210 nan 0.000 0.553 991 G N 6.801 115.593 108.800 -0.012 0.000 2.762 991 G HA2 0.300 4.260 3.960 -0.000 0.000 0.209 991 G HA3 0.300 4.260 3.960 -0.000 0.000 0.209 991 G C 0.428 175.341 174.900 0.020 0.000 1.134 991 G CA 0.234 45.352 45.100 0.030 0.000 0.781 991 G HN 0.530 nan 8.290 nan 0.000 0.528 992 I N -0.076 120.447 120.570 -0.078 0.000 2.961 992 I HA 0.360 4.530 4.170 -0.000 0.000 0.303 992 I C -1.082 174.906 176.117 -0.215 0.000 1.505 992 I CA -0.834 60.375 61.300 -0.152 0.000 0.964 992 I CB 2.197 40.044 38.000 -0.255 0.000 1.348 992 I HN 0.074 nan 8.210 nan 0.000 0.508 993 T N 1.173 115.627 114.554 -0.166 0.000 2.925 993 T HA 0.585 4.935 4.350 -0.000 0.000 0.285 993 T C -1.126 173.557 174.700 -0.028 0.000 1.021 993 T CA -0.378 61.641 62.100 -0.136 0.000 1.042 993 T CB 1.273 70.104 68.868 -0.062 0.000 1.037 993 T HN 0.444 nan 8.240 nan 0.000 0.481 994 Y N 0.479 120.774 120.300 -0.008 0.000 2.409 994 Y HA 0.484 5.034 4.550 -0.000 0.000 0.343 994 Y C 1.045 176.955 175.900 0.017 0.000 0.973 994 Y CA -1.616 56.495 58.100 0.018 0.000 1.064 994 Y CB 2.234 40.731 38.460 0.062 0.000 1.207 994 Y HN 0.517 nan 8.280 nan 0.000 0.452 995 R N 1.132 121.725 120.500 0.155 0.000 2.726 995 R HA 0.171 4.511 4.340 -0.000 0.000 0.272 995 R C 1.308 177.659 176.300 0.086 0.000 1.097 995 R CA -0.425 55.727 56.100 0.086 0.000 1.198 995 R CB 0.653 30.985 30.300 0.053 0.000 1.114 995 R HN 0.704 nan 8.270 nan 0.000 0.550 996 R N 1.413 121.946 120.500 0.056 0.000 2.096 996 R HA -0.180 4.160 4.340 -0.000 0.000 0.235 996 R C 1.412 177.749 176.300 0.061 0.000 1.127 996 R CA 2.063 58.196 56.100 0.054 0.000 0.968 996 R CB -0.023 30.291 30.300 0.024 0.000 0.861 996 R HN 0.733 nan 8.270 nan 0.000 0.440 997 E N 0.211 120.437 120.200 0.043 0.000 2.136 997 E HA -0.245 4.105 4.350 -0.000 0.000 0.202 997 E C 1.143 177.815 176.600 0.121 0.000 1.019 997 E CA 1.610 58.042 56.400 0.053 0.000 0.819 997 E CB -0.252 29.470 29.700 0.036 0.000 0.739 997 E HN 0.389 nan 8.360 nan 0.000 0.458 998 D N -0.252 120.222 120.400 0.123 0.000 2.323 998 D HA 0.046 4.686 4.640 -0.000 0.000 0.209 998 D C 0.741 177.147 176.300 0.176 0.000 0.973 998 D CA 0.460 54.553 54.000 0.155 0.000 0.874 998 D CB 0.146 40.979 40.800 0.056 0.000 0.930 998 D HN 0.156 nan 8.370 nan 0.000 0.521 999 M N 1.277 120.974 119.600 0.161 0.000 2.163 999 M HA 0.225 4.705 4.480 -0.000 0.000 0.305 999 M C -2.169 174.155 176.300 0.040 0.000 1.166 999 M CA -1.391 53.950 55.300 0.069 0.000 1.132 999 M CB 0.184 32.809 32.600 0.043 0.000 1.413 999 M HN -0.243 nan 8.290 nan 0.000 0.478 1000 P HA 0.400 nan 4.420 nan 0.000 0.281 1000 P C -1.509 175.765 177.300 -0.042 0.000 1.249 1000 P CA -0.125 62.843 63.100 -0.219 0.000 0.810 1000 P CB 0.576 31.941 31.700 -0.557 0.000 1.008 1001 F N -2.237 117.679 119.950 -0.057 0.000 2.626 1001 F HA 0.675 5.202 4.527 -0.000 0.000 0.311 1001 F C -0.412 175.388 175.800 -0.001 0.000 1.088 1001 F CA -1.270 56.699 58.000 -0.052 0.000 0.949 1001 F CB 0.790 39.778 39.000 -0.020 0.000 1.322 1001 F HN 0.208 nan 8.300 nan 0.000 0.461 1002 T N 0.393 115.105 114.554 0.262 0.000 2.918 1002 T HA 0.541 4.891 4.350 -0.000 0.000 0.283 1002 T C 1.201 176.087 174.700 0.311 0.000 1.001 1002 T CA 0.115 62.341 62.100 0.210 0.000 1.041 1002 T CB 1.302 70.235 68.868 0.107 0.000 1.028 1002 T HN 1.019 nan 8.240 nan 0.000 0.511 1003 A N 2.503 125.484 122.820 0.269 0.000 1.948 1003 A HA -0.107 4.213 4.320 -0.000 0.000 0.220 1003 A C 1.799 179.438 177.584 0.091 0.000 1.177 1003 A CA 2.063 54.194 52.037 0.156 0.000 0.636 1003 A CB -0.815 18.292 19.000 0.178 0.000 0.815 1003 A HN 0.977 nan 8.150 nan 0.000 0.449 1004 E N -1.124 119.146 120.200 0.117 0.000 2.501 1004 E HA 0.133 4.483 4.350 -0.000 0.000 0.203 1004 E C 1.272 177.901 176.600 0.049 0.000 1.072 1004 E CA 0.294 56.744 56.400 0.083 0.000 0.885 1004 E CB -0.463 29.306 29.700 0.114 0.000 0.813 1004 E HN 0.822 nan 8.360 nan 0.000 0.556 1005 G N 1.079 109.909 108.800 0.050 0.000 2.189 1005 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.267 1005 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.267 1005 G C 0.211 175.140 174.900 0.048 0.000 0.975 1005 G CA 0.196 45.297 45.100 0.002 0.000 0.644 1005 G HN 0.183 nan 8.290 nan 0.000 0.537 1006 I N 0.197 120.838 120.570 0.119 0.000 2.529 1006 I HA 0.530 4.700 4.170 -0.000 0.000 0.284 1006 I C 0.653 176.896 176.117 0.211 0.000 1.082 1006 I CA -0.118 61.278 61.300 0.159 0.000 1.406 1006 I CB 1.584 39.715 38.000 0.217 0.000 1.405 1006 I HN -0.033 nan 8.210 nan 0.000 0.548 1007 V N 7.780 127.816 119.914 0.204 0.000 2.876 1007 V HA 0.585 4.705 4.120 -0.000 0.000 0.312 1007 V C -2.325 173.914 176.094 0.241 0.000 1.085 1007 V CA -1.877 60.547 62.300 0.206 0.000 0.945 1007 V CB 2.667 34.560 31.823 0.118 0.000 1.017 1007 V HN 0.587 nan 8.190 nan 0.000 0.428 1008 P HA 0.334 nan 4.420 nan 0.000 0.279 1008 P C -0.448 176.876 177.300 0.040 0.000 1.239 1008 P CA -0.124 63.078 63.100 0.171 0.000 0.789 1008 P CB 0.766 32.568 31.700 0.171 0.000 0.933 1009 D N 0.670 121.056 120.400 -0.024 0.000 2.348 1009 D HA 0.128 4.768 4.640 -0.000 0.000 0.211 1009 D C 0.154 176.391 176.300 -0.106 0.000 0.998 1009 D CA 0.960 54.923 54.000 -0.062 0.000 0.873 1009 D CB 0.230 40.983 40.800 -0.078 0.000 0.925 1009 D HN 0.110 nan 8.370 nan 0.000 0.524 1010 L N 0.682 121.836 121.223 -0.116 0.000 2.591 1010 L HA 0.298 4.638 4.340 -0.000 0.000 0.257 1010 L C -2.087 174.708 176.870 -0.125 0.000 0.935 1010 L CA -0.598 54.132 54.840 -0.185 0.000 0.873 1010 L CB 2.153 44.022 42.059 -0.316 0.000 1.397 1010 L HN -0.303 nan 8.230 nan 0.000 0.414 1011 I N 5.232 125.737 120.570 -0.107 0.000 2.439 1011 I HA 0.490 4.660 4.170 -0.000 0.000 0.285 1011 I C -0.165 175.934 176.117 -0.029 0.000 1.021 1011 I CA -0.568 60.704 61.300 -0.046 0.000 1.091 1011 I CB 1.407 39.393 38.000 -0.023 0.000 1.242 1011 I HN 0.566 nan 8.210 nan 0.000 0.439 1012 I N 3.410 123.977 120.570 -0.005 0.000 2.707 1012 I HA 0.624 4.794 4.170 -0.000 0.000 0.309 1012 I C -0.048 176.092 176.117 0.038 0.000 1.001 1012 I CA -0.371 60.944 61.300 0.024 0.000 1.129 1012 I CB 1.360 39.394 38.000 0.056 0.000 1.308 1012 I HN 0.415 nan 8.210 nan 0.000 0.466 1013 N N 4.237 122.968 118.700 0.051 0.000 2.456 1013 N HA 0.424 5.164 4.740 -0.000 0.000 0.288 1013 N C -1.943 173.571 175.510 0.007 0.000 1.059 1013 N CA -2.248 50.837 53.050 0.058 0.000 0.946 1013 N CB 1.794 40.343 38.487 0.105 0.000 1.150 1013 N HN 0.440 nan 8.380 nan 0.000 0.479 1014 P HA -0.093 nan 4.420 nan 0.000 0.222 1014 P C 0.708 177.864 177.300 -0.240 0.000 1.147 1014 P CA 1.104 64.105 63.100 -0.165 0.000 0.790 1014 P CB 0.107 31.659 31.700 -0.247 0.000 0.780 1015 H N -0.230 118.847 119.070 0.012 0.000 2.561 1015 H HA 0.125 4.681 4.556 -0.000 0.000 0.278 1015 H C 1.616 176.952 175.328 0.014 0.000 1.014 1015 H CA 1.003 57.057 56.048 0.010 0.000 1.211 1015 H CB -0.234 29.534 29.762 0.010 0.000 1.365 1015 H HN 0.124 nan 8.280 nan 0.000 0.594 1016 A N 0.024 122.886 122.820 0.071 0.000 2.238 1016 A HA 0.106 4.426 4.320 -0.000 0.000 0.208 1016 A C 2.195 179.805 177.584 0.043 0.000 1.177 1016 A CA 0.061 52.140 52.037 0.069 0.000 0.804 1016 A CB -0.159 18.887 19.000 0.076 0.000 0.823 1016 A HN 0.237 nan 8.150 nan 0.000 0.482 1017 I N -0.260 120.309 120.570 -0.002 0.000 2.900 1017 I HA 0.023 4.193 4.170 -0.000 0.000 0.251 1017 I C -0.699 175.413 176.117 -0.008 0.000 1.102 1017 I CA 0.236 61.526 61.300 -0.016 0.000 1.457 1017 I CB -0.520 37.436 38.000 -0.074 0.000 1.285 1017 I HN 0.100 nan 8.210 nan 0.000 0.459 1018 P HA 0.027 nan 4.420 nan 0.000 0.219 1018 P C 1.535 178.840 177.300 0.009 0.000 1.154 1018 P CA 1.297 64.390 63.100 -0.011 0.000 0.826 1018 P CB 0.021 31.715 31.700 -0.010 0.000 0.795 1019 S N 0.032 115.748 115.700 0.026 0.000 2.453 1019 S HA -0.032 4.438 4.470 -0.000 0.000 0.231 1019 S C 1.712 176.331 174.600 0.030 0.000 1.005 1019 S CA 0.734 58.952 58.200 0.029 0.000 0.949 1019 S CB -0.491 62.734 63.200 0.040 0.000 0.774 1019 S HN 0.106 nan 8.310 nan 0.000 0.510 1020 R N 0.860 121.382 120.500 0.036 0.000 2.275 1020 R HA 0.273 4.613 4.340 -0.000 0.000 0.199 1020 R C 0.396 176.711 176.300 0.024 0.000 0.989 1020 R CA 0.021 56.145 56.100 0.040 0.000 1.016 1020 R CB -0.828 29.510 30.300 0.062 0.000 0.918 1020 R HN 0.416 nan 8.270 nan 0.000 0.473 1021 M N 0.807 120.416 119.600 0.015 0.000 2.298 1021 M HA -0.170 4.310 4.480 -0.000 0.000 0.196 1021 M C -0.111 176.193 176.300 0.007 0.000 0.531 1021 M CA 0.933 56.235 55.300 0.004 0.000 0.459 1021 M CB -1.897 30.704 32.600 0.002 0.000 1.279 1021 M HN -0.009 nan 8.290 nan 0.000 0.915 1022 T N -0.139 114.427 114.554 0.020 0.000 3.465 1022 T HA 0.442 4.792 4.350 -0.000 0.000 0.323 1022 T C 0.981 175.681 174.700 -0.000 0.000 1.774 1022 T CA -0.289 61.831 62.100 0.033 0.000 1.348 1022 T CB 0.098 69.023 68.868 0.094 0.000 1.147 1022 T HN 0.306 nan 8.240 nan 0.000 0.778 1023 V N 2.763 122.655 119.914 -0.036 0.000 2.427 1023 V HA -0.062 4.058 4.120 -0.000 0.000 0.248 1023 V C 2.874 178.880 176.094 -0.146 0.000 1.051 1023 V CA 1.892 64.144 62.300 -0.080 0.000 1.048 1023 V CB -0.927 30.864 31.823 -0.054 0.000 0.666 1023 V HN 0.840 nan 8.190 nan 0.000 0.456 1024 A N -0.641 122.072 122.820 -0.179 0.000 1.958 1024 A HA -0.360 3.960 4.320 -0.000 0.000 0.221 1024 A C 2.185 179.503 177.584 -0.444 0.000 1.178 1024 A CA 2.331 54.169 52.037 -0.331 0.000 0.642 1024 A CB -0.891 17.891 19.000 -0.364 0.000 0.816 1024 A HN 0.674 nan 8.150 nan 0.000 0.453 1025 H N 0.043 118.855 119.070 -0.430 0.000 2.353 1025 H HA -0.089 4.467 4.556 -0.000 0.000 0.298 1025 H C 1.886 177.231 175.328 0.028 0.000 1.103 1025 H CA 2.089 58.149 56.048 0.019 0.000 1.293 1025 H CB -0.280 29.581 29.762 0.165 0.000 1.372 1025 H HN 0.469 nan 8.280 nan 0.000 0.501 1026 L N -0.218 121.078 121.223 0.122 0.000 2.072 1026 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 1026 L C 2.738 179.646 176.870 0.064 0.000 1.079 1026 L CA 0.867 55.730 54.840 0.037 0.000 0.752 1026 L CB -0.287 41.644 42.059 -0.213 0.000 0.906 1026 L HN 0.179 nan 8.230 nan 0.000 0.436 1027 I N -0.309 120.164 120.570 -0.161 0.000 2.493 1027 I HA -0.257 3.913 4.170 -0.000 0.000 0.254 1027 I C 2.532 178.577 176.117 -0.120 0.000 1.160 1027 I CA 1.174 62.280 61.300 -0.324 0.000 1.445 1027 I CB -0.328 37.144 38.000 -0.881 0.000 1.086 1027 I HN 0.342 nan 8.210 nan 0.000 0.433 1028 E N 0.549 120.794 120.200 0.076 0.000 2.107 1028 E HA -0.248 4.101 4.350 -0.000 0.000 0.191 1028 E C 2.346 179.066 176.600 0.200 0.000 0.982 1028 E CA 1.258 57.828 56.400 0.282 0.000 0.809 1028 E CB -0.012 29.866 29.700 0.296 0.000 0.756 1028 E HN 0.576 nan 8.360 nan 0.000 0.459 1029 C N 0.232 119.661 119.300 0.215 0.000 2.446 1029 C HA -0.055 4.405 4.460 -0.000 0.000 0.277 1029 C C 2.532 177.505 174.990 -0.028 0.000 1.275 1029 C CA 0.412 59.506 59.018 0.126 0.000 1.727 1029 C CB -1.040 26.838 27.740 0.231 0.000 2.010 1029 C HN 0.500 nan 8.230 nan 0.000 0.486 1030 L N 0.770 121.991 121.223 -0.003 0.000 1.976 1030 L HA -0.052 4.288 4.340 -0.000 0.000 0.209 1030 L C 2.384 179.230 176.870 -0.040 0.000 1.071 1030 L CA 2.075 56.878 54.840 -0.062 0.000 0.746 1030 L CB -1.100 40.941 42.059 -0.031 0.000 0.890 1030 L HN 0.435 nan 8.230 nan 0.000 0.432 1031 L N -1.454 119.782 121.223 0.022 0.000 2.127 1031 L HA -0.222 4.117 4.340 -0.000 0.000 0.211 1031 L C 2.352 179.236 176.870 0.022 0.000 1.089 1031 L CA 1.903 56.779 54.840 0.060 0.000 0.757 1031 L CB -0.414 41.753 42.059 0.180 0.000 0.899 1031 L HN 0.236 nan 8.230 nan 0.000 0.434 1032 S N -0.985 114.723 115.700 0.012 0.000 2.436 1032 S HA -0.128 4.341 4.470 -0.000 0.000 0.228 1032 S C 1.869 176.417 174.600 -0.087 0.000 1.014 1032 S CA 0.984 59.174 58.200 -0.016 0.000 0.950 1032 S CB -0.123 63.090 63.200 0.022 0.000 0.784 1032 S HN 0.417 nan 8.310 nan 0.000 0.504 1033 K N 1.281 121.600 120.400 -0.135 0.000 2.002 1033 K HA -0.063 4.257 4.320 -0.000 0.000 0.209 1033 K C 1.890 178.360 176.600 -0.216 0.000 1.048 1033 K CA 1.288 57.443 56.287 -0.219 0.000 0.930 1033 K CB -0.275 32.049 32.500 -0.292 0.000 0.714 1033 K HN 0.112 nan 8.250 nan 0.000 0.438 1034 V N 1.122 120.935 119.914 -0.169 0.000 2.407 1034 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 1034 V C 2.328 178.334 176.094 -0.147 0.000 1.055 1034 V CA 1.950 64.143 62.300 -0.178 0.000 1.049 1034 V CB -0.550 31.236 31.823 -0.062 0.000 0.662 1034 V HN 0.508 nan 8.190 nan 0.000 0.455 1035 A N -0.162 122.605 122.820 -0.088 0.000 1.902 1035 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 1035 A C 2.341 179.882 177.584 -0.072 0.000 1.181 1035 A CA 2.098 54.101 52.037 -0.057 0.000 0.623 1035 A CB -0.624 18.351 19.000 -0.042 0.000 0.818 1035 A HN 0.580 nan 8.150 nan 0.000 0.443 1036 A N -0.951 121.809 122.820 -0.101 0.000 2.021 1036 A HA 0.233 4.553 4.320 -0.000 0.000 0.216 1036 A C 2.077 179.604 177.584 -0.095 0.000 1.163 1036 A CA 0.933 52.918 52.037 -0.087 0.000 0.676 1036 A CB -0.363 18.578 19.000 -0.098 0.000 0.818 1036 A HN 0.439 nan 8.150 nan 0.000 0.453 1037 L N -0.076 121.047 121.223 -0.168 0.000 2.131 1037 L HA -0.089 4.251 4.340 -0.000 0.000 0.206 1037 L C 2.716 179.536 176.870 -0.083 0.000 1.087 1037 L CA 1.568 56.291 54.840 -0.195 0.000 0.767 1037 L CB -0.092 41.665 42.059 -0.503 0.000 0.917 1037 L HN 0.576 nan 8.230 nan 0.000 0.441 1038 S N -1.124 114.537 115.700 -0.065 0.000 2.535 1038 S HA 0.104 4.574 4.470 -0.000 0.000 0.214 1038 S C 1.587 176.223 174.600 0.060 0.000 0.980 1038 S CA 0.400 58.660 58.200 0.099 0.000 0.907 1038 S CB 0.479 63.781 63.200 0.169 0.000 0.790 1038 S HN 0.494 nan 8.310 nan 0.000 0.510 1039 G N 1.912 110.722 108.800 0.017 0.000 2.186 1039 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.266 1039 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.266 1039 G C -0.181 174.724 174.900 0.007 0.000 0.982 1039 G CA 0.432 45.538 45.100 0.009 0.000 0.670 1039 G HN 0.615 nan 8.290 nan 0.000 0.533 1040 N N 0.881 119.587 118.700 0.010 0.000 2.479 1040 N HA 0.349 5.089 4.740 -0.000 0.000 0.285 1040 N C 0.239 175.738 175.510 -0.017 0.000 1.075 1040 N CA -0.383 52.667 53.050 0.001 0.000 0.967 1040 N CB 0.960 39.455 38.487 0.013 0.000 1.137 1040 N HN 0.478 nan 8.380 nan 0.000 0.472 1041 E N 0.182 120.364 120.200 -0.031 0.000 2.708 1041 E HA 0.025 4.375 4.350 -0.000 0.000 0.260 1041 E C 0.335 176.904 176.600 -0.053 0.000 0.937 1041 E CA 0.285 56.654 56.400 -0.052 0.000 0.953 1041 E CB 0.399 30.054 29.700 -0.075 0.000 0.915 1041 E HN 0.564 nan 8.360 nan 0.000 0.487 1042 G N 3.112 111.876 108.800 -0.061 0.000 2.343 1042 G HA2 0.147 4.107 3.960 -0.000 0.000 0.319 1042 G HA3 0.147 4.107 3.960 -0.000 0.000 0.319 1042 G C -0.954 173.885 174.900 -0.102 0.000 1.126 1042 G CA -0.527 44.543 45.100 -0.051 0.000 0.889 1042 G HN 0.458 nan 8.290 nan 0.000 0.457 1043 D N 1.541 121.879 120.400 -0.103 0.000 2.317 1043 D HA 0.478 5.118 4.640 -0.000 0.000 0.234 1043 D C 0.578 176.707 176.300 -0.284 0.000 1.112 1043 D CA -0.493 53.401 54.000 -0.176 0.000 0.840 1043 D CB 1.488 42.223 40.800 -0.109 0.000 1.078 1043 D HN 0.333 nan 8.370 nan 0.000 0.486 1044 A N 3.004 125.535 122.820 -0.482 0.000 2.594 1044 A HA 0.295 4.615 4.320 -0.000 0.000 0.287 1044 A C 0.491 177.544 177.584 -0.886 0.000 1.227 1044 A CA -0.433 50.908 52.037 -1.160 0.000 0.952 1044 A CB -0.010 18.363 19.000 -1.045 0.000 1.161 1044 A HN 0.411 nan 8.150 nan 0.000 0.524 1045 S N 2.451 117.882 115.700 -0.448 0.000 2.593 1045 S HA 0.414 4.884 4.470 -0.000 0.000 0.269 1045 S C -2.482 172.002 174.600 -0.194 0.000 1.334 1045 S CA -0.875 57.157 58.200 -0.279 0.000 1.015 1045 S CB 0.212 63.322 63.200 -0.151 0.000 0.912 1045 S HN 0.436 nan 8.310 nan 0.000 0.541 1046 P HA 0.220 nan 4.420 nan 0.000 0.271 1046 P C -0.422 176.886 177.300 0.014 0.000 1.218 1046 P CA -0.178 62.728 63.100 -0.323 0.000 0.780 1046 P CB -0.299 30.947 31.700 -0.757 0.000 0.901 1047 F N -1.631 118.411 119.950 0.153 0.000 2.975 1047 F HA -0.223 4.304 4.527 -0.000 0.000 0.319 1047 F C 0.802 176.712 175.800 0.183 0.000 0.976 1047 F CA 0.215 58.300 58.000 0.141 0.000 1.072 1047 F CB -2.538 36.531 39.000 0.115 0.000 1.165 1047 F HN 0.484 nan 8.300 nan 0.000 0.758 1048 T N -5.028 109.725 114.554 0.332 0.000 2.573 1048 T HA 0.431 4.781 4.350 -0.000 0.000 0.259 1048 T C 0.371 175.202 174.700 0.218 0.000 0.886 1048 T CA -0.118 62.141 62.100 0.264 0.000 1.110 1048 T CB 2.078 71.079 68.868 0.222 0.000 1.421 1048 T HN -0.054 nan 8.240 nan 0.000 0.523 1049 D N -0.551 119.956 120.400 0.179 0.000 2.417 1049 D HA 0.316 4.956 4.640 -0.000 0.000 0.207 1049 D C 0.384 176.772 176.300 0.147 0.000 1.075 1049 D CA -0.245 53.843 54.000 0.146 0.000 0.851 1049 D CB -0.146 40.721 40.800 0.112 0.000 0.976 1049 D HN 0.414 nan 8.370 nan 0.000 0.505 1050 I N 1.170 121.843 120.570 0.171 0.000 3.076 1050 I HA -0.173 3.997 4.170 -0.000 0.000 0.321 1050 I C 0.796 177.013 176.117 0.167 0.000 1.216 1050 I CA 1.262 62.674 61.300 0.187 0.000 1.460 1050 I CB 0.298 38.450 38.000 0.253 0.000 1.313 1050 I HN -0.240 nan 8.210 nan 0.000 0.546 1051 T N 4.551 119.162 114.554 0.095 0.000 2.883 1051 T HA 0.289 4.639 4.350 -0.000 0.000 0.301 1051 T C 0.854 175.534 174.700 -0.032 0.000 1.158 1051 T CA -0.644 61.478 62.100 0.037 0.000 1.007 1051 T CB 1.984 70.884 68.868 0.054 0.000 1.186 1051 T HN 0.215 nan 8.240 nan 0.000 0.499 1052 V N 1.543 121.404 119.914 -0.088 0.000 2.667 1052 V HA -0.063 4.057 4.120 -0.000 0.000 0.252 1052 V C 2.344 178.421 176.094 -0.029 0.000 1.065 1052 V CA 1.518 63.759 62.300 -0.099 0.000 1.083 1052 V CB -0.328 31.420 31.823 -0.124 0.000 0.692 1052 V HN 0.748 nan 8.190 nan 0.000 0.468 1053 E N 0.552 120.750 120.200 -0.004 0.000 2.072 1053 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 1053 E C 2.366 178.980 176.600 0.023 0.000 0.982 1053 E CA 1.263 57.671 56.400 0.013 0.000 0.803 1053 E CB -0.498 29.215 29.700 0.021 0.000 0.755 1053 E HN 0.599 nan 8.360 nan 0.000 0.453 1054 G N 1.796 110.613 108.800 0.029 0.000 2.469 1054 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 1054 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 1054 G C 1.536 176.462 174.900 0.042 0.000 1.150 1054 G CA 0.558 45.682 45.100 0.040 0.000 0.763 1054 G HN 0.141 nan 8.290 nan 0.000 0.561 1055 I N 1.074 121.663 120.570 0.031 0.000 2.439 1055 I HA -0.025 4.145 4.170 -0.000 0.000 0.251 1055 I C 2.796 178.933 176.117 0.032 0.000 1.139 1055 I CA 0.887 62.206 61.300 0.032 0.000 1.438 1055 I CB -0.929 37.075 38.000 0.007 0.000 1.085 1055 I HN 0.096 nan 8.210 nan 0.000 0.427 1056 S N 0.396 116.112 115.700 0.026 0.000 2.362 1056 S HA -0.089 4.381 4.470 -0.000 0.000 0.221 1056 S C 1.870 176.504 174.600 0.056 0.000 1.032 1056 S CA 0.667 58.889 58.200 0.036 0.000 0.973 1056 S CB 0.086 63.303 63.200 0.028 0.000 0.849 1056 S HN 0.334 nan 8.310 nan 0.000 0.465 1057 K N 1.064 121.494 120.400 0.052 0.000 2.023 1057 K HA -0.239 4.081 4.320 -0.000 0.000 0.227 1057 K C 1.900 178.547 176.600 0.078 0.000 1.054 1057 K CA 1.938 58.260 56.287 0.058 0.000 0.977 1057 K CB -0.852 31.676 32.500 0.047 0.000 0.733 1057 K HN 0.309 nan 8.250 nan 0.000 0.451 1058 L N 0.490 121.765 121.223 0.086 0.000 2.089 1058 L HA -0.233 4.107 4.340 -0.000 0.000 0.213 1058 L C 2.538 179.551 176.870 0.237 0.000 1.079 1058 L CA 0.851 55.772 54.840 0.135 0.000 0.758 1058 L CB -0.516 41.623 42.059 0.133 0.000 0.891 1058 L HN 0.270 nan 8.230 nan 0.000 0.433 1059 L N -0.215 121.105 121.223 0.163 0.000 2.240 1059 L HA -0.079 4.261 4.340 -0.000 0.000 0.211 1059 L C 2.567 179.576 176.870 0.232 0.000 1.106 1059 L CA 1.280 56.231 54.840 0.185 0.000 0.793 1059 L CB -0.437 41.667 42.059 0.075 0.000 0.927 1059 L HN 0.034 nan 8.230 nan 0.000 0.446 1060 R N 0.313 120.909 120.500 0.159 0.000 2.092 1060 R HA -0.122 4.218 4.340 -0.000 0.000 0.231 1060 R C 2.040 178.405 176.300 0.108 0.000 1.119 1060 R CA 1.689 57.865 56.100 0.126 0.000 0.970 1060 R CB -0.372 29.980 30.300 0.086 0.000 0.864 1060 R HN 0.519 nan 8.270 nan 0.000 0.440 1061 E N -0.772 119.483 120.200 0.092 0.000 2.160 1061 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 1061 E C 0.955 177.552 176.600 -0.005 0.000 0.991 1061 E CA 1.162 57.568 56.400 0.009 0.000 0.810 1061 E CB -0.063 29.607 29.700 -0.050 0.000 0.742 1061 E HN 0.568 nan 8.360 nan 0.000 0.466 1062 H N -1.451 117.662 119.070 0.072 0.000 2.517 1062 H HA 0.193 4.749 4.556 -0.000 0.000 0.282 1062 H C 0.987 176.365 175.328 0.083 0.000 1.023 1062 H CA 0.582 56.690 56.048 0.099 0.000 1.169 1062 H CB 1.108 30.972 29.762 0.169 0.000 1.454 1062 H HN 0.329 nan 8.280 nan 0.000 0.556 1063 G N 0.465 109.344 108.800 0.132 0.000 2.159 1063 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.227 1063 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.227 1063 G C -0.437 174.297 174.900 -0.276 0.000 0.986 1063 G CA -0.247 44.797 45.100 -0.094 0.000 0.651 1063 G HN 0.335 nan 8.290 nan 0.000 0.523 1064 Y N 0.071 120.418 120.300 0.077 0.000 2.602 1064 Y HA 0.619 5.169 4.550 -0.000 0.000 0.330 1064 Y C 0.692 176.628 175.900 0.061 0.000 1.114 1064 Y CA -0.584 57.551 58.100 0.060 0.000 1.182 1064 Y CB 0.811 39.295 38.460 0.040 0.000 1.305 1064 Y HN 0.328 nan 8.280 nan 0.000 0.502 1065 Q N -0.185 119.759 119.800 0.240 0.000 2.394 1065 Q HA 0.225 4.565 4.340 -0.000 0.000 0.248 1065 Q C 0.412 176.503 176.000 0.152 0.000 0.992 1065 Q CA 0.259 56.163 55.803 0.168 0.000 0.888 1065 Q CB 1.224 30.067 28.738 0.176 0.000 1.257 1065 Q HN 0.669 nan 8.270 nan 0.000 0.462 1066 S N 1.599 117.373 115.700 0.124 0.000 2.558 1066 S HA 0.148 4.618 4.470 -0.000 0.000 0.217 1066 S C 0.819 175.458 174.600 0.065 0.000 0.975 1066 S CA -0.354 57.904 58.200 0.095 0.000 0.912 1066 S CB 0.177 63.426 63.200 0.082 0.000 0.776 1066 S HN 0.585 nan 8.310 nan 0.000 0.526 1067 R N 0.905 121.453 120.500 0.081 0.000 2.359 1067 R HA 0.371 4.711 4.340 -0.000 0.000 0.231 1067 R C 1.517 177.765 176.300 -0.087 0.000 0.913 1067 R CA 0.173 56.293 56.100 0.033 0.000 1.075 1067 R CB -0.701 29.656 30.300 0.096 0.000 1.087 1067 R HN 0.614 nan 8.270 nan 0.000 0.515 1068 G N 0.402 109.146 108.800 -0.094 0.000 2.176 1068 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.253 1068 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.253 1068 G C 0.205 174.959 174.900 -0.242 0.000 0.979 1068 G CA -0.266 44.692 45.100 -0.237 0.000 0.641 1068 G HN 0.284 nan 8.290 nan 0.000 0.530 1069 F N 1.234 121.240 119.950 0.093 0.000 2.490 1069 F HA 0.522 5.049 4.527 -0.000 0.000 0.336 1069 F C 1.191 177.034 175.800 0.071 0.000 1.178 1069 F CA 0.454 58.509 58.000 0.092 0.000 1.301 1069 F CB 0.505 39.553 39.000 0.080 0.000 1.175 1069 F HN 0.132 nan 8.300 nan 0.000 0.593 1070 E N -0.121 120.220 120.200 0.234 0.000 2.383 1070 E HA 0.356 4.706 4.350 -0.000 0.000 0.275 1070 E C -1.414 175.220 176.600 0.056 0.000 0.918 1070 E CA -1.048 55.439 56.400 0.145 0.000 0.764 1070 E CB 2.564 32.339 29.700 0.125 0.000 1.252 1070 E HN 0.154 nan 8.360 nan 0.000 0.449 1071 V N 2.722 122.646 119.914 0.018 0.000 2.740 1071 V HA 0.131 4.251 4.120 -0.000 0.000 0.303 1071 V C 0.275 176.301 176.094 -0.113 0.000 1.054 1071 V CA 0.810 63.060 62.300 -0.084 0.000 1.106 1071 V CB 0.194 31.965 31.823 -0.087 0.000 0.957 1071 V HN 0.594 nan 8.190 nan 0.000 0.486 1072 M N 3.561 123.029 119.600 -0.220 0.000 2.704 1072 M HA 0.559 5.039 4.480 -0.000 0.000 0.284 1072 M C -1.845 174.205 176.300 -0.416 0.000 1.275 1072 M CA -0.689 54.475 55.300 -0.226 0.000 0.811 1072 M CB 2.686 35.116 32.600 -0.283 0.000 1.741 1072 M HN 0.449 nan 8.290 nan 0.000 0.458 1073 Y N 0.338 120.250 120.300 -0.647 0.000 2.391 1073 Y HA 0.321 4.871 4.550 -0.000 0.000 0.341 1073 Y C 0.052 175.467 175.900 -0.807 0.000 0.965 1073 Y CA -1.116 56.489 58.100 -0.825 0.000 1.067 1073 Y CB 1.129 38.751 38.460 -1.397 0.000 1.199 1073 Y HN 0.537 nan 8.280 nan 0.000 0.450 1074 N N 1.696 120.239 118.700 -0.261 0.000 2.447 1074 N HA -0.041 4.699 4.740 -0.000 0.000 0.263 1074 N C 1.182 176.687 175.510 -0.008 0.000 1.226 1074 N CA 0.942 53.943 53.050 -0.082 0.000 0.906 1074 N CB 1.489 39.939 38.487 -0.061 0.000 1.060 1074 N HN 1.044 nan 8.380 nan 0.000 0.468 1075 G N 3.349 112.209 108.800 0.101 0.000 2.513 1075 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.219 1075 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.219 1075 G C 1.033 176.078 174.900 0.242 0.000 1.160 1075 G CA 0.947 46.183 45.100 0.226 0.000 0.767 1075 G HN 0.756 nan 8.290 nan 0.000 0.571 1076 H N -0.918 118.210 119.070 0.096 0.000 2.495 1076 H HA 0.116 4.672 4.556 -0.000 0.000 0.287 1076 H C 2.172 177.531 175.328 0.051 0.000 1.033 1076 H CA 1.387 57.458 56.048 0.039 0.000 1.307 1076 H CB -0.021 29.728 29.762 -0.022 0.000 1.401 1076 H HN 0.331 nan 8.280 nan 0.000 0.555 1077 T N -1.805 112.853 114.554 0.172 0.000 2.986 1077 T HA 0.253 4.603 4.350 -0.000 0.000 0.264 1077 T C 1.630 176.413 174.700 0.138 0.000 0.964 1077 T CA 0.601 62.776 62.100 0.125 0.000 0.895 1077 T CB 0.085 69.006 68.868 0.088 0.000 1.163 1077 T HN 0.545 nan 8.240 nan 0.000 0.517 1078 G N 2.365 111.283 108.800 0.196 0.000 2.230 1078 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.270 1078 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.270 1078 G C 0.301 175.338 174.900 0.229 0.000 0.987 1078 G CA 1.370 46.627 45.100 0.260 0.000 0.664 1078 G HN 0.582 nan 8.290 nan 0.000 0.539 1079 K N 0.916 121.385 120.400 0.115 0.000 2.436 1079 K HA 0.326 4.646 4.320 -0.000 0.000 0.275 1079 K C 1.081 177.643 176.600 -0.063 0.000 0.999 1079 K CA -0.265 56.054 56.287 0.053 0.000 0.980 1079 K CB 0.309 32.808 32.500 -0.002 0.000 0.919 1079 K HN 0.269 nan 8.250 nan 0.000 0.484 1080 K N 2.481 122.770 120.400 -0.184 0.000 2.508 1080 K HA -0.031 4.289 4.320 -0.000 0.000 0.273 1080 K C -0.249 176.195 176.600 -0.260 0.000 0.964 1080 K CA 0.272 56.282 56.287 -0.462 0.000 0.948 1080 K CB 0.324 32.538 32.500 -0.477 0.000 0.917 1080 K HN 0.470 nan 8.250 nan 0.000 0.512 1081 L N 3.493 124.544 121.223 -0.288 0.000 2.295 1081 L HA 0.126 4.466 4.340 -0.000 0.000 0.285 1081 L C 1.167 177.939 176.870 -0.163 0.000 1.035 1081 L CA -0.559 54.171 54.840 -0.184 0.000 0.806 1081 L CB 1.432 43.390 42.059 -0.169 0.000 1.214 1081 L HN 0.762 nan 8.230 nan 0.000 0.426 1082 M N 3.201 122.731 119.600 -0.116 0.000 2.159 1082 M HA -0.014 4.466 4.480 -0.000 0.000 0.263 1082 M C 0.663 176.899 176.300 -0.107 0.000 1.063 1082 M CA 1.212 56.451 55.300 -0.102 0.000 1.110 1082 M CB -0.089 32.467 32.600 -0.073 0.000 1.374 1082 M HN 0.604 nan 8.290 nan 0.000 0.411 1083 A N -0.208 122.553 122.820 -0.099 0.000 2.324 1083 A HA 0.637 4.957 4.320 -0.000 0.000 0.330 1083 A C -0.400 177.121 177.584 -0.105 0.000 1.165 1083 A CA -0.799 51.178 52.037 -0.101 0.000 0.813 1083 A CB 0.655 19.612 19.000 -0.072 0.000 1.197 1083 A HN 0.413 nan 8.150 nan 0.000 0.484 1084 Q N -0.200 119.518 119.800 -0.136 0.000 2.171 1084 Q HA 0.772 5.112 4.340 -0.000 0.000 0.217 1084 Q C -1.094 174.946 176.000 0.066 0.000 0.995 1084 Q CA -0.109 55.653 55.803 -0.067 0.000 0.979 1084 Q CB 1.096 29.784 28.738 -0.084 0.000 1.152 1084 Q HN 0.627 nan 8.270 nan 0.000 0.525 1085 I N 0.178 120.865 120.570 0.195 0.000 2.619 1085 I HA 0.308 4.478 4.170 -0.000 0.000 0.292 1085 I C -1.390 174.917 176.117 0.317 0.000 1.100 1085 I CA -0.599 60.846 61.300 0.241 0.000 1.043 1085 I CB 1.624 39.637 38.000 0.022 0.000 1.239 1085 I HN 0.463 nan 8.210 nan 0.000 0.420 1086 F N 7.105 127.141 119.950 0.143 0.000 2.410 1086 F HA 0.625 5.152 4.527 -0.000 0.000 0.348 1086 F C -1.184 174.682 175.800 0.110 0.000 1.106 1086 F CA -0.270 57.705 58.000 -0.043 0.000 1.163 1086 F CB 0.606 39.511 39.000 -0.158 0.000 1.129 1086 F HN 0.297 nan 8.300 nan 0.000 0.516 1087 F N 4.653 124.377 119.950 -0.377 0.000 2.604 1087 F HA 0.705 5.232 4.527 -0.000 0.000 0.316 1087 F C -0.715 174.870 175.800 -0.358 0.000 1.136 1087 F CA -0.486 57.364 58.000 -0.250 0.000 0.989 1087 F CB 1.795 40.717 39.000 -0.129 0.000 1.258 1087 F HN 0.746 nan 8.300 nan 0.000 0.451 1088 G N 4.352 112.784 108.800 -0.613 0.000 2.411 1088 G HA2 0.472 4.432 3.960 -0.000 0.000 0.295 1088 G HA3 0.472 4.432 3.960 -0.000 0.000 0.295 1088 G C -3.572 171.116 174.900 -0.353 0.000 1.542 1088 G CA -1.075 43.737 45.100 -0.481 0.000 0.814 1088 G HN 0.335 nan 8.290 nan 0.000 0.557 1089 P HA 0.497 nan 4.420 nan 0.000 0.272 1089 P C -0.338 176.986 177.300 0.040 0.000 1.223 1089 P CA 0.118 63.160 63.100 -0.098 0.000 0.784 1089 P CB 1.310 32.968 31.700 -0.071 0.000 0.923 1090 T N 1.296 115.949 114.554 0.163 0.000 2.923 1090 T HA 0.292 4.642 4.350 -0.000 0.000 0.311 1090 T C -1.523 173.426 174.700 0.416 0.000 1.183 1090 T CA -0.218 62.080 62.100 0.331 0.000 1.020 1090 T CB 0.818 69.987 68.868 0.502 0.000 1.165 1090 T HN 0.149 nan 8.240 nan 0.000 0.482 1091 Y N 2.081 122.495 120.300 0.190 0.000 2.326 1091 Y HA 0.605 5.155 4.550 -0.000 0.000 0.337 1091 Y C -1.354 174.647 175.900 0.167 0.000 1.023 1091 Y CA -0.849 57.364 58.100 0.188 0.000 1.143 1091 Y CB 0.509 39.025 38.460 0.093 0.000 1.183 1091 Y HN 0.599 nan 8.280 nan 0.000 0.485 1092 Y N 3.625 123.918 120.300 -0.012 0.000 2.462 1092 Y HA 0.425 4.975 4.550 -0.000 0.000 0.346 1092 Y C -0.399 175.543 175.900 0.070 0.000 0.976 1092 Y CA -0.833 57.312 58.100 0.075 0.000 1.044 1092 Y CB 1.918 40.498 38.460 0.199 0.000 1.230 1092 Y HN 0.505 nan 8.280 nan 0.000 0.455 1093 Q N 2.613 122.460 119.800 0.079 0.000 2.274 1093 Q HA 0.460 4.800 4.340 -0.000 0.000 0.260 1093 Q C -0.821 175.129 176.000 -0.084 0.000 0.974 1093 Q CA -1.130 54.700 55.803 0.044 0.000 0.876 1093 Q CB 2.182 30.902 28.738 -0.030 0.000 1.297 1093 Q HN 0.519 nan 8.270 nan 0.000 0.446 1094 R N 3.135 123.542 120.500 -0.154 0.000 2.229 1094 R HA 0.422 4.762 4.340 -0.000 0.000 0.328 1094 R C -1.019 175.039 176.300 -0.403 0.000 1.009 1094 R CA -0.210 55.538 56.100 -0.587 0.000 0.864 1094 R CB 0.419 30.549 30.300 -0.284 0.000 1.085 1094 R HN 0.546 nan 8.270 nan 0.000 0.453 1095 L N 4.169 125.081 121.223 -0.519 0.000 2.358 1095 L HA 0.569 4.909 4.340 -0.000 0.000 0.268 1095 L C 0.661 177.354 176.870 -0.295 0.000 1.032 1095 L CA -1.291 53.357 54.840 -0.319 0.000 0.805 1095 L CB 1.362 43.248 42.059 -0.290 0.000 1.253 1095 L HN 0.698 nan 8.230 nan 0.000 0.452 1096 R N -0.386 119.988 120.500 -0.209 0.000 2.652 1096 R HA 0.291 4.631 4.340 -0.000 0.000 0.271 1096 R C -0.721 175.533 176.300 -0.077 0.000 1.129 1096 R CA -0.522 55.490 56.100 -0.146 0.000 1.200 1096 R CB 0.330 30.554 30.300 -0.127 0.000 1.146 1096 R HN 0.711 nan 8.270 nan 0.000 0.581 1097 H N -0.267 118.671 119.070 -0.219 0.000 3.528 1097 H HA -0.069 4.487 4.556 -0.000 0.000 0.386 1097 H C -1.626 173.594 175.328 -0.180 0.000 1.242 1097 H CA 0.192 56.124 56.048 -0.194 0.000 1.303 1097 H CB -0.915 28.741 29.762 -0.177 0.000 1.488 1097 H HN 0.699 nan 8.280 nan 0.000 0.432 1098 M N 2.098 121.784 119.600 0.143 0.000 2.690 1098 M HA 0.347 4.827 4.480 -0.000 0.000 0.302 1098 M C 2.033 178.303 176.300 -0.051 0.000 1.234 1098 M CA -0.502 54.760 55.300 -0.064 0.000 0.853 1098 M CB 1.770 34.316 32.600 -0.089 0.000 1.748 1098 M HN 0.023 nan 8.290 nan 0.000 0.469 1099 V N -1.225 118.646 119.914 -0.073 0.000 2.409 1099 V HA -0.314 3.806 4.120 -0.000 0.000 0.261 1099 V C 1.077 177.134 176.094 -0.061 0.000 1.099 1099 V CA 2.294 64.558 62.300 -0.061 0.000 1.100 1099 V CB -1.102 30.691 31.823 -0.049 0.000 0.677 1099 V HN 0.872 nan 8.190 nan 0.000 0.460 1100 D N 0.404 120.763 120.400 -0.068 0.000 2.149 1100 D HA -0.051 4.589 4.640 -0.000 0.000 0.206 1100 D C 1.779 178.003 176.300 -0.126 0.000 0.967 1100 D CA 1.282 55.227 54.000 -0.091 0.000 0.848 1100 D CB -0.419 40.333 40.800 -0.081 0.000 0.998 1100 D HN 0.538 nan 8.370 nan 0.000 0.474 1101 D N 0.014 120.359 120.400 -0.092 0.000 2.354 1101 D HA -0.104 4.536 4.640 -0.000 0.000 0.216 1101 D C 1.577 177.818 176.300 -0.099 0.000 0.970 1101 D CA 0.902 54.838 54.000 -0.107 0.000 0.905 1101 D CB 0.195 40.882 40.800 -0.189 0.000 0.903 1101 D HN 0.220 nan 8.370 nan 0.000 0.508 1102 K N -0.496 119.853 120.400 -0.085 0.000 2.354 1102 K HA 0.219 4.538 4.320 -0.000 0.000 0.210 1102 K C 0.373 176.942 176.600 -0.052 0.000 1.184 1102 K CA -0.263 56.026 56.287 0.003 0.000 0.880 1102 K CB 0.662 33.164 32.500 0.005 0.000 1.328 1102 K HN -0.002 nan 8.250 nan 0.000 0.466 1103 I N 3.713 124.226 120.570 -0.095 0.000 3.148 1103 I HA -0.226 3.944 4.170 -0.000 0.000 0.317 1103 I C 0.466 176.419 176.117 -0.274 0.000 1.237 1103 I CA 0.994 62.230 61.300 -0.107 0.000 1.423 1103 I CB -0.306 37.641 38.000 -0.088 0.000 1.352 1103 I HN 0.252 nan 8.210 nan 0.000 0.526 1104 H N 4.890 123.968 119.070 0.013 0.000 3.043 1104 H HA 0.817 5.373 4.556 -0.000 0.000 0.302 1104 H C -0.439 174.896 175.328 0.012 0.000 1.506 1104 H CA -0.956 55.100 56.048 0.012 0.000 1.282 1104 H CB 2.151 31.922 29.762 0.014 0.000 1.914 1104 H HN 0.517 nan 8.280 nan 0.000 0.625 1105 A N 1.474 124.398 122.820 0.173 0.000 3.134 1105 A HA 0.212 4.532 4.320 -0.000 0.000 0.237 1105 A C -0.865 176.755 177.584 0.060 0.000 1.233 1105 A CA -0.625 51.465 52.037 0.088 0.000 1.112 1105 A CB -0.278 18.761 19.000 0.065 0.000 1.365 1105 A HN 0.524 nan 8.150 nan 0.000 0.796 1106 R N 0.825 121.352 120.500 0.045 0.000 2.235 1106 R HA 0.593 4.933 4.340 -0.000 0.000 0.338 1106 R C 0.686 176.992 176.300 0.010 0.000 1.087 1106 R CA 0.496 56.606 56.100 0.017 0.000 0.948 1106 R CB 1.146 31.443 30.300 -0.005 0.000 1.099 1106 R HN 0.562 nan 8.270 nan 0.000 0.483 1107 A N 3.074 125.897 122.820 0.005 0.000 2.589 1107 A HA 0.191 4.511 4.320 -0.000 0.000 0.283 1107 A C 0.376 177.955 177.584 -0.007 0.000 1.187 1107 A CA -0.548 51.490 52.037 0.001 0.000 0.957 1107 A CB 0.073 19.076 19.000 0.005 0.000 1.175 1107 A HN 0.754 nan 8.150 nan 0.000 0.532 1108 R N -1.871 118.624 120.500 -0.010 0.000 3.297 1108 R HA -0.210 4.130 4.340 -0.000 0.000 0.173 1108 R C 1.131 177.422 176.300 -0.016 0.000 0.888 1108 R CA 1.133 57.225 56.100 -0.014 0.000 0.761 1108 R CB -0.107 30.185 30.300 -0.012 0.000 1.115 1108 R HN 0.586 nan 8.270 nan 0.000 0.270 1109 G N 2.492 111.279 108.800 -0.021 0.000 2.732 1109 G HA2 0.232 4.192 3.960 -0.000 0.000 0.206 1109 G HA3 0.232 4.192 3.960 -0.000 0.000 0.206 1109 G C -1.319 173.575 174.900 -0.011 0.000 1.253 1109 G CA -0.105 44.984 45.100 -0.019 0.000 0.796 1109 G HN 0.615 nan 8.290 nan 0.000 0.616 1128 L N 0.112 121.356 121.223 0.036 0.000 3.340 1128 L HA 0.111 4.451 4.340 -0.000 0.000 0.444 1128 L C -0.075 176.836 176.870 0.068 0.000 1.183 1128 L CA 1.303 56.173 54.840 0.051 0.000 0.936 1128 L CB -1.617 40.475 42.059 0.055 0.000 1.906 1128 L HN 1.337 nan 8.230 nan 0.000 0.547 1129 R N -1.123 119.424 120.500 0.078 0.000 2.766 1129 R HA 0.814 5.154 4.340 -0.000 0.000 0.270 1129 R C -1.274 175.105 176.300 0.132 0.000 1.035 1129 R CA -0.864 55.299 56.100 0.105 0.000 0.911 1129 R CB 1.055 31.393 30.300 0.064 0.000 1.243 1129 R HN 0.131 nan 8.270 nan 0.000 0.460 1130 F N 1.064 121.027 119.950 0.022 0.000 2.931 1130 F HA 0.514 5.041 4.527 -0.000 0.000 0.375 1130 F C -0.472 175.342 175.800 0.022 0.000 1.243 1130 F CA -0.228 57.791 58.000 0.032 0.000 1.206 1130 F CB 1.427 40.447 39.000 0.033 0.000 1.643 1130 F HN 0.859 nan 8.300 nan 0.000 0.593 1131 G N 1.898 110.663 108.800 -0.058 0.000 2.568 1131 G HA2 0.208 4.168 3.960 -0.000 0.000 0.293 1131 G HA3 0.208 4.168 3.960 -0.000 0.000 0.293 1131 G C 0.535 175.390 174.900 -0.074 0.000 1.347 1131 G CA -0.439 44.641 45.100 -0.034 0.000 1.039 1131 G HN 0.556 nan 8.290 nan 0.000 0.523 1132 E N -0.768 119.415 120.200 -0.028 0.000 2.169 1132 E HA -0.229 4.121 4.350 -0.000 0.000 0.202 1132 E C 2.337 178.904 176.600 -0.055 0.000 1.016 1132 E CA 1.501 57.888 56.400 -0.022 0.000 0.817 1132 E CB -0.152 29.543 29.700 -0.009 0.000 0.736 1132 E HN 0.428 nan 8.360 nan 0.000 0.462 1133 M N -0.108 119.443 119.600 -0.082 0.000 2.476 1133 M HA -0.048 4.432 4.480 -0.000 0.000 0.262 1133 M C 1.494 177.713 176.300 -0.134 0.000 1.111 1133 M CA 0.726 55.974 55.300 -0.086 0.000 1.127 1133 M CB 0.355 32.911 32.600 -0.073 0.000 1.376 1133 M HN -0.099 nan 8.290 nan 0.000 0.465 1134 E N 0.205 120.261 120.200 -0.239 0.000 2.208 1134 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 1134 E C 1.846 178.252 176.600 -0.324 0.000 0.988 1134 E CA 0.785 56.945 56.400 -0.400 0.000 0.828 1134 E CB -0.254 28.945 29.700 -0.835 0.000 0.763 1134 E HN 0.348 nan 8.360 nan 0.000 0.478 1135 R N 0.807 121.196 120.500 -0.184 0.000 2.075 1135 R HA -0.128 4.212 4.340 -0.000 0.000 0.232 1135 R C 1.066 177.401 176.300 0.058 0.000 1.126 1135 R CA 1.547 57.679 56.100 0.053 0.000 0.963 1135 R CB -0.002 30.357 30.300 0.098 0.000 0.858 1135 R HN 0.085 nan 8.270 nan 0.000 0.435 1136 D N 0.186 120.589 120.400 0.004 0.000 2.149 1136 D HA -0.169 4.471 4.640 -0.000 0.000 0.198 1136 D C 1.922 178.224 176.300 0.003 0.000 0.990 1136 D CA 1.206 55.210 54.000 0.007 0.000 0.839 1136 D CB -0.424 40.368 40.800 -0.013 0.000 0.948 1136 D HN 0.340 nan 8.370 nan 0.000 0.460 1137 C N 0.554 119.849 119.300 -0.008 0.000 2.446 1137 C HA -0.047 4.413 4.460 -0.000 0.000 0.277 1137 C C 2.615 177.675 174.990 0.116 0.000 1.275 1137 C CA 0.317 59.332 59.018 -0.005 0.000 1.727 1137 C CB -0.571 27.171 27.740 0.003 0.000 2.010 1137 C HN 0.323 nan 8.230 nan 0.000 0.486 1138 M N 0.253 119.963 119.600 0.183 0.000 2.319 1138 M HA 0.044 4.524 4.480 -0.000 0.000 0.265 1138 M C 1.910 178.321 176.300 0.185 0.000 1.068 1138 M CA 1.236 56.692 55.300 0.260 0.000 1.118 1138 M CB -1.130 31.652 32.600 0.304 0.000 1.395 1138 M HN 0.368 nan 8.290 nan 0.000 0.435 1139 I N 0.016 120.661 120.570 0.125 0.000 2.202 1139 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 1139 I C 2.501 178.656 176.117 0.063 0.000 1.091 1139 I CA 0.923 62.278 61.300 0.091 0.000 1.368 1139 I CB -0.584 37.453 38.000 0.063 0.000 1.058 1139 I HN 0.236 nan 8.210 nan 0.000 0.410 1140 A N 0.785 123.610 122.820 0.009 0.000 1.920 1140 A HA -0.370 3.950 4.320 -0.000 0.000 0.229 1140 A C 2.174 179.745 177.584 -0.023 0.000 1.516 1140 A CA 2.635 54.646 52.037 -0.044 0.000 0.714 1140 A CB -1.426 17.491 19.000 -0.137 0.000 0.845 1140 A HN 0.514 nan 8.150 nan 0.000 0.493 1141 H N -1.806 117.267 119.070 0.005 0.000 2.502 1141 H HA 0.195 4.751 4.556 -0.000 0.000 0.283 1141 H C 1.801 177.133 175.328 0.006 0.000 1.015 1141 H CA 1.350 57.397 56.048 -0.001 0.000 1.298 1141 H CB -0.065 29.690 29.762 -0.012 0.000 1.411 1141 H HN 0.953 nan 8.280 nan 0.000 0.556 1142 G N -0.115 108.774 108.800 0.147 0.000 2.138 1142 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.193 1142 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.193 1142 G C 0.535 175.485 174.900 0.082 0.000 0.998 1142 G CA 0.131 45.286 45.100 0.091 0.000 0.668 1142 G HN 0.597 nan 8.290 nan 0.000 0.516 1143 A N 0.370 123.251 122.820 0.102 0.000 3.063 1143 A HA 0.779 5.099 4.320 -0.000 0.000 0.263 1143 A C 1.780 179.434 177.584 0.116 0.000 1.736 1143 A CA 1.130 53.219 52.037 0.086 0.000 1.408 1143 A CB -0.387 18.644 19.000 0.052 0.000 1.108 1143 A HN 1.712 nan 8.150 nan 0.000 0.621 1144 A N 0.340 123.212 122.820 0.086 0.000 1.969 1144 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 1144 A C 2.344 179.976 177.584 0.079 0.000 1.169 1144 A CA 1.996 54.082 52.037 0.082 0.000 0.635 1144 A CB -0.404 18.629 19.000 0.056 0.000 0.810 1144 A HN 0.599 nan 8.150 nan 0.000 0.445 1145 S N -1.058 114.688 115.700 0.076 0.000 2.402 1145 S HA -0.103 4.367 4.470 -0.000 0.000 0.229 1145 S C 1.591 176.238 174.600 0.079 0.000 1.021 1145 S CA 1.228 59.463 58.200 0.059 0.000 0.974 1145 S CB -0.485 62.745 63.200 0.051 0.000 0.800 1145 S HN 0.641 nan 8.310 nan 0.000 0.484 1146 F N 1.838 121.780 119.950 -0.013 0.000 2.293 1146 F HA 0.068 4.595 4.527 -0.000 0.000 0.300 1146 F C 1.695 177.468 175.800 -0.044 0.000 1.086 1146 F CA 0.852 58.832 58.000 -0.033 0.000 1.375 1146 F CB -0.155 38.833 39.000 -0.019 0.000 1.045 1146 F HN 0.088 nan 8.300 nan 0.000 0.516 1147 L N 0.271 121.563 121.223 0.115 0.000 2.131 1147 L HA -0.150 4.190 4.340 -0.000 0.000 0.206 1147 L C 2.538 179.368 176.870 -0.067 0.000 1.087 1147 L CA 1.326 56.190 54.840 0.039 0.000 0.767 1147 L CB -0.536 41.592 42.059 0.116 0.000 0.917 1147 L HN 0.066 nan 8.230 nan 0.000 0.441 1148 K N 0.292 120.665 120.400 -0.044 0.000 2.148 1148 K HA -0.240 4.080 4.320 -0.000 0.000 0.204 1148 K C 1.952 178.476 176.600 -0.126 0.000 1.050 1148 K CA 1.519 57.767 56.287 -0.064 0.000 0.942 1148 K CB 0.053 32.535 32.500 -0.030 0.000 0.724 1148 K HN 0.329 nan 8.250 nan 0.000 0.446 1149 E N 0.257 120.345 120.200 -0.185 0.000 2.072 1149 E HA -0.209 4.141 4.350 -0.000 0.000 0.190 1149 E C 2.114 178.541 176.600 -0.289 0.000 0.982 1149 E CA 0.692 56.964 56.400 -0.214 0.000 0.803 1149 E CB 0.029 29.599 29.700 -0.217 0.000 0.755 1149 E HN 0.078 nan 8.360 nan 0.000 0.453 1150 R N 0.554 120.779 120.500 -0.458 0.000 2.090 1150 R HA 0.046 4.386 4.340 -0.000 0.000 0.228 1150 R C 1.900 177.988 176.300 -0.353 0.000 1.110 1150 R CA 1.155 56.925 56.100 -0.550 0.000 0.973 1150 R CB -0.291 29.371 30.300 -1.062 0.000 0.869 1150 R HN 0.276 nan 8.270 nan 0.000 0.440 1151 L N -0.106 120.963 121.223 -0.255 0.000 2.628 1151 L HA 0.250 4.590 4.340 -0.000 0.000 0.229 1151 L C 0.547 177.358 176.870 -0.099 0.000 1.137 1151 L CA -0.631 54.120 54.840 -0.148 0.000 0.909 1151 L CB -0.158 41.854 42.059 -0.078 0.000 1.137 1151 L HN 0.150 nan 8.230 nan 0.000 0.470 1152 M N 0.258 119.794 119.600 -0.106 0.000 2.081 1152 M HA 0.008 4.488 4.480 -0.000 0.000 0.259 1152 M C 0.660 176.928 176.300 -0.053 0.000 1.274 1152 M CA 0.637 55.897 55.300 -0.068 0.000 1.103 1152 M CB 0.243 32.802 32.600 -0.068 0.000 1.349 1152 M HN -0.078 nan 8.290 nan 0.000 0.435 1153 E N 0.421 120.600 120.200 -0.035 0.000 2.366 1153 E HA 0.233 4.583 4.350 -0.000 0.000 0.266 1153 E C 0.565 177.151 176.600 -0.024 0.000 1.051 1153 E CA 0.454 56.838 56.400 -0.025 0.000 0.884 1153 E CB 0.782 30.476 29.700 -0.010 0.000 1.006 1153 E HN 0.724 nan 8.360 nan 0.000 0.417 1154 A N 2.785 125.592 122.820 -0.023 0.000 1.933 1154 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 1154 A C 1.223 178.808 177.584 0.002 0.000 1.175 1154 A CA 1.311 53.338 52.037 -0.016 0.000 0.628 1154 A CB -0.464 18.525 19.000 -0.018 0.000 0.814 1154 A HN 0.624 nan 8.150 nan 0.000 0.444 1155 S N 1.896 117.604 115.700 0.013 0.000 4.351 1155 S HA -0.133 4.337 4.470 -0.000 0.000 0.500 1155 S C -0.162 174.483 174.600 0.074 0.000 0.804 1155 S CA 0.488 58.714 58.200 0.044 0.000 1.494 1155 S CB -1.305 61.922 63.200 0.044 0.000 1.334 1155 S HN 0.513 nan 8.310 nan 0.000 0.490 1156 D N 3.240 123.692 120.400 0.087 0.000 2.357 1156 D HA 0.289 4.929 4.640 -0.000 0.000 0.242 1156 D C 0.541 176.930 176.300 0.149 0.000 1.153 1156 D CA 0.117 54.166 54.000 0.081 0.000 0.918 1156 D CB 0.789 41.620 40.800 0.051 0.000 1.181 1156 D HN 0.720 nan 8.370 nan 0.000 0.435 1157 A N 2.053 124.932 122.820 0.099 0.000 3.026 1157 A HA 0.053 4.373 4.320 -0.000 0.000 0.272 1157 A C 0.068 177.776 177.584 0.206 0.000 1.782 1157 A CA -0.367 51.743 52.037 0.122 0.000 1.451 1157 A CB -1.300 17.678 19.000 -0.035 0.000 1.081 1157 A HN 0.398 nan 8.150 nan 0.000 0.611 1158 F N 1.865 121.907 119.950 0.153 0.000 2.413 1158 F HA -0.075 4.452 4.527 -0.000 0.000 0.416 1158 F C 1.134 177.047 175.800 0.187 0.000 0.949 1158 F CA 1.204 59.324 58.000 0.200 0.000 1.162 1158 F CB 0.294 39.501 39.000 0.345 0.000 0.897 1158 F HN 0.584 nan 8.300 nan 0.000 0.540 1159 R N 4.358 124.300 120.500 -0.929 0.000 2.832 1159 R HA 0.824 5.164 4.340 -0.000 0.000 0.271 1159 R C -2.008 173.734 176.300 -0.930 0.000 0.996 1159 R CA -0.615 55.074 56.100 -0.685 0.000 0.977 1159 R CB 1.815 31.830 30.300 -0.475 0.000 1.168 1159 R HN 0.456 nan 8.270 nan 0.000 0.482 1160 V N 3.892 123.388 119.914 -0.698 0.000 2.852 1160 V HA 0.304 4.423 4.120 -0.000 0.000 0.300 1160 V C -0.752 174.947 176.094 -0.659 0.000 1.205 1160 V CA -0.915 61.074 62.300 -0.517 0.000 0.940 1160 V CB 2.070 33.781 31.823 -0.187 0.000 1.047 1160 V HN 0.824 nan 8.190 nan 0.000 0.429 1161 H N 4.668 123.661 119.070 -0.128 0.000 2.482 1161 H HA 0.627 5.183 4.556 -0.000 0.000 0.344 1161 H C -0.989 174.267 175.328 -0.121 0.000 1.151 1161 H CA -0.532 55.402 56.048 -0.191 0.000 1.300 1161 H CB 2.399 31.933 29.762 -0.381 0.000 1.494 1161 H HN 0.276 nan 8.280 nan 0.000 0.542 1162 I N 1.774 122.322 120.570 -0.036 0.000 2.571 1162 I HA -0.013 4.157 4.170 -0.000 0.000 0.289 1162 I C 0.374 176.491 176.117 0.001 0.000 1.115 1162 I CA -0.645 60.643 61.300 -0.021 0.000 1.045 1162 I CB 1.546 39.547 38.000 0.001 0.000 1.238 1162 I HN 0.679 nan 8.210 nan 0.000 0.424 1163 c N 5.094 123.688 118.600 -0.011 0.000 2.662 1163 c HA 0.499 5.069 4.570 -0.000 0.000 0.420 1163 c C 1.523 175.654 174.090 0.068 0.000 1.314 1163 c CA 0.220 56.550 56.329 0.003 0.000 1.963 1163 c CB 0.122 42.633 42.510 0.002 0.000 2.686 1163 c HN 1.001 nan 8.230 nan 0.000 0.609 1164 G N 4.684 113.538 108.800 0.090 0.000 3.393 1164 G HA2 0.214 4.174 3.960 -0.000 0.000 0.255 1164 G HA3 0.214 4.174 3.960 -0.000 0.000 0.255 1164 G C 0.802 175.843 174.900 0.235 0.000 1.097 1164 G CA 0.138 45.381 45.100 0.238 0.000 0.780 1164 G HN 0.785 nan 8.290 nan 0.000 0.540 1165 I N -0.156 120.514 120.570 0.166 0.000 3.445 1165 I HA 0.151 4.321 4.170 -0.000 0.000 0.288 1165 I C 1.674 177.939 176.117 0.246 0.000 1.198 1165 I CA 0.370 61.764 61.300 0.156 0.000 1.417 1165 I CB -0.454 37.588 38.000 0.071 0.000 1.205 1165 I HN 0.275 nan 8.210 nan 0.000 0.448 1166 c N 1.383 120.064 118.600 0.135 0.000 2.741 1166 c HA 0.631 5.201 4.570 -0.000 0.000 0.267 1166 c C 1.506 175.523 174.090 -0.120 0.000 1.549 1166 c CA -0.548 55.807 56.329 0.043 0.000 1.772 1166 c CB -1.284 41.237 42.510 0.019 0.000 2.962 1166 c HN 0.518 nan 8.230 nan 0.000 0.514 1167 G N 2.309 110.941 108.800 -0.280 0.000 1.925 1167 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.247 1167 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.247 1167 G C -0.180 174.553 174.900 -0.278 0.000 0.656 1167 G CA 0.915 45.787 45.100 -0.379 0.000 0.948 1167 G HN 0.816 nan 8.290 nan 0.000 0.387 1168 L N -0.268 120.862 121.223 -0.155 0.000 2.309 1168 L HA 0.555 4.894 4.340 -0.000 0.000 0.261 1168 L C 0.604 177.419 176.870 -0.092 0.000 1.021 1168 L CA -1.248 53.509 54.840 -0.139 0.000 0.823 1168 L CB 1.919 43.922 42.059 -0.095 0.000 1.366 1168 L HN 0.107 nan 8.230 nan 0.000 0.423 1169 M N 1.100 120.657 119.600 -0.073 0.000 3.117 1169 M HA 0.202 4.682 4.480 -0.000 0.000 0.292 1169 M C 0.178 176.482 176.300 0.007 0.000 1.357 1169 M CA -0.222 55.064 55.300 -0.024 0.000 1.463 1169 M CB 0.005 32.608 32.600 0.006 0.000 1.105 1169 M HN 0.693 nan 8.290 nan 0.000 0.553 1170 T N -2.943 111.613 114.554 0.003 0.000 2.971 1170 T HA 0.183 4.533 4.350 -0.000 0.000 0.252 1170 T C 0.618 175.338 174.700 0.034 0.000 1.022 1170 T CA -0.198 61.913 62.100 0.018 0.000 0.980 1170 T CB 0.139 69.010 68.868 0.005 0.000 1.044 1170 T HN 0.311 nan 8.240 nan 0.000 0.501 1171 V N 3.191 123.125 119.914 0.032 0.000 2.493 1171 V HA 0.189 4.309 4.120 -0.000 0.000 0.292 1171 V C 0.252 176.396 176.094 0.083 0.000 1.016 1171 V CA -0.275 62.049 62.300 0.041 0.000 1.097 1171 V CB -0.334 31.495 31.823 0.011 0.000 0.947 1171 V HN 0.435 nan 8.190 nan 0.000 0.479 1172 I N 4.923 125.545 120.570 0.087 0.000 2.308 1172 I HA 0.426 4.596 4.170 -0.000 0.000 0.293 1172 I C 0.674 176.893 176.117 0.170 0.000 1.078 1172 I CA 0.406 61.773 61.300 0.112 0.000 1.292 1172 I CB 0.863 38.915 38.000 0.087 0.000 1.423 1172 I HN 0.645 nan 8.210 nan 0.000 0.493 1173 A N 7.283 130.212 122.820 0.181 0.000 2.654 1173 A HA 0.425 4.745 4.320 -0.000 0.000 0.345 1173 A C -0.013 177.648 177.584 0.128 0.000 1.368 1173 A CA -0.821 51.371 52.037 0.258 0.000 0.895 1173 A CB -0.203 18.845 19.000 0.080 0.000 1.143 1173 A HN 0.682 nan 8.150 nan 0.000 0.490 1174 K N 3.210 123.644 120.400 0.057 0.000 2.220 1174 K HA 0.329 4.649 4.320 -0.000 0.000 0.283 1174 K C 0.036 176.538 176.600 -0.164 0.000 1.098 1174 K CA -0.180 56.105 56.287 -0.004 0.000 0.928 1174 K CB 0.545 33.111 32.500 0.110 0.000 1.214 1174 K HN 0.604 nan 8.250 nan 0.000 0.442 1175 L N 1.314 122.448 121.223 -0.149 0.000 2.145 1175 L HA -0.106 4.234 4.340 -0.000 0.000 0.201 1175 L C 1.798 178.532 176.870 -0.226 0.000 1.075 1175 L CA 0.562 55.295 54.840 -0.179 0.000 0.773 1175 L CB -0.519 41.511 42.059 -0.049 0.000 0.936 1175 L HN 0.556 nan 8.230 nan 0.000 0.451 1176 N N 0.785 119.337 118.700 -0.246 0.000 2.053 1176 N HA -0.251 4.489 4.740 -0.000 0.000 0.200 1176 N C 1.469 176.631 175.510 -0.580 0.000 1.041 1176 N CA 2.090 54.919 53.050 -0.369 0.000 0.882 1176 N CB -0.924 37.331 38.487 -0.387 0.000 1.080 1176 N HN 0.531 nan 8.380 nan 0.000 0.481 1177 H N 0.831 119.849 119.070 -0.087 0.000 2.566 1177 H HA 0.152 4.708 4.556 -0.000 0.000 0.280 1177 H C 0.392 175.618 175.328 -0.171 0.000 1.042 1177 H CA 0.002 55.987 56.048 -0.105 0.000 1.168 1177 H CB -0.606 29.108 29.762 -0.080 0.000 1.340 1177 H HN 0.278 nan 8.280 nan 0.000 0.597 1178 N N 0.705 119.226 118.700 -0.298 0.000 2.778 1178 N HA -0.202 4.538 4.740 -0.000 0.000 0.249 1178 N C -0.464 174.694 175.510 -0.587 0.000 1.069 1178 N CA 0.653 53.451 53.050 -0.420 0.000 0.831 1178 N CB -0.844 37.486 38.487 -0.261 0.000 1.142 1178 N HN 0.552 nan 8.380 nan 0.000 0.573 1179 Q N -0.259 119.295 119.800 -0.410 0.000 2.296 1179 Q HA 0.498 4.838 4.340 -0.000 0.000 0.257 1179 Q C -0.696 175.208 176.000 -0.160 0.000 0.942 1179 Q CA 0.247 55.903 55.803 -0.244 0.000 0.939 1179 Q CB 0.655 29.364 28.738 -0.049 0.000 1.198 1179 Q HN 0.206 nan 8.270 nan 0.000 0.429 1180 F N 1.933 121.846 119.950 -0.061 0.000 2.577 1180 F HA 0.319 4.846 4.527 -0.000 0.000 0.344 1180 F C 0.068 175.841 175.800 -0.045 0.000 1.145 1180 F CA -0.738 57.214 58.000 -0.080 0.000 0.996 1180 F CB 1.459 40.392 39.000 -0.111 0.000 1.248 1180 F HN 0.380 nan 8.300 nan 0.000 0.447 1181 E N 2.755 123.041 120.200 0.144 0.000 2.176 1181 E HA 0.214 4.564 4.350 -0.000 0.000 0.267 1181 E C -1.223 175.408 176.600 0.051 0.000 0.893 1181 E CA -0.600 55.844 56.400 0.073 0.000 0.761 1181 E CB 1.933 31.662 29.700 0.050 0.000 1.133 1181 E HN 0.617 nan 8.360 nan 0.000 0.409 1182 C N 6.332 125.650 119.300 0.030 0.000 2.485 1182 C HA 0.112 4.572 4.460 -0.000 0.000 0.408 1182 C C 0.268 175.270 174.990 0.020 0.000 1.034 1182 C CA -0.631 58.399 59.018 0.020 0.000 1.267 1182 C CB -1.570 26.176 27.740 0.010 0.000 1.703 1182 C HN 0.464 nan 8.230 nan 0.000 0.530 1183 K N 2.849 123.263 120.400 0.024 0.000 2.473 1183 K HA 0.209 4.529 4.320 -0.000 0.000 0.277 1183 K C 1.090 177.699 176.600 0.016 0.000 1.052 1183 K CA 1.244 57.543 56.287 0.020 0.000 1.114 1183 K CB -0.336 32.177 32.500 0.022 0.000 0.869 1183 K HN 1.116 nan 8.250 nan 0.000 0.481 1184 G N 2.888 111.696 108.800 0.013 0.000 2.352 1184 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.204 1184 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.204 1184 G C 1.119 176.026 174.900 0.012 0.000 1.004 1184 G CA -0.003 45.104 45.100 0.012 0.000 0.648 1184 G HN 0.632 nan 8.290 nan 0.000 0.491 1185 c N 1.011 119.619 118.600 0.013 0.000 2.799 1185 c HA 0.455 5.025 4.570 -0.000 0.000 0.267 1185 c C 1.471 175.568 174.090 0.012 0.000 1.257 1185 c CA 0.840 57.177 56.329 0.014 0.000 1.702 1185 c CB -0.916 41.603 42.510 0.015 0.000 1.934 1185 c HN 0.832 nan 8.230 nan 0.000 0.594 1186 D N 1.200 121.607 120.400 0.011 0.000 2.751 1186 D HA -0.242 4.398 4.640 -0.000 0.000 0.233 1186 D C -0.282 176.023 176.300 0.009 0.000 1.149 1186 D CA 1.151 55.157 54.000 0.010 0.000 0.682 1186 D CB -1.393 39.411 40.800 0.007 0.000 1.068 1186 D HN 0.810 nan 8.370 nan 0.000 0.429 1187 N N -0.573 118.133 118.700 0.011 0.000 2.260 1187 N HA 0.453 5.193 4.740 -0.000 0.000 0.293 1187 N C -0.144 175.375 175.510 0.014 0.000 1.058 1187 N CA -0.763 52.291 53.050 0.008 0.000 0.824 1187 N CB 1.167 39.656 38.487 0.004 0.000 1.551 1187 N HN 0.043 nan 8.380 nan 0.000 0.475 1188 K N 2.910 123.319 120.400 0.015 0.000 2.554 1188 K HA 0.271 4.591 4.320 -0.000 0.000 0.211 1188 K C 0.642 177.263 176.600 0.035 0.000 1.226 1188 K CA -0.273 56.037 56.287 0.038 0.000 1.025 1188 K CB 0.792 33.315 32.500 0.038 0.000 1.021 1188 K HN 0.467 nan 8.250 nan 0.000 0.600 1189 I N 1.487 122.058 120.570 0.001 0.000 2.558 1189 I HA -0.072 4.097 4.170 -0.000 0.000 0.229 1189 I C 0.529 176.603 176.117 -0.071 0.000 1.060 1189 I CA 0.807 62.097 61.300 -0.017 0.000 1.396 1189 I CB -0.366 37.624 38.000 -0.016 0.000 1.207 1189 I HN 0.089 nan 8.210 nan 0.000 0.423 1190 D N 2.609 122.954 120.400 -0.092 0.000 2.497 1190 D HA 0.176 4.816 4.640 -0.000 0.000 0.285 1190 D C -0.487 175.648 176.300 -0.274 0.000 1.452 1190 D CA 0.935 54.831 54.000 -0.173 0.000 1.132 1190 D CB -0.450 40.312 40.800 -0.063 0.000 1.132 1190 D HN 0.109 nan 8.370 nan 0.000 0.555 1191 I N 2.296 122.539 120.570 -0.543 0.000 2.828 1191 I HA 0.245 4.415 4.170 -0.000 0.000 0.295 1191 I C -1.199 174.439 176.117 -0.798 0.000 1.459 1191 I CA -0.785 60.222 61.300 -0.489 0.000 1.015 1191 I CB 1.627 39.446 38.000 -0.301 0.000 1.345 1191 I HN 0.079 nan 8.210 nan 0.000 0.449 1192 Y N 2.143 122.393 120.300 -0.083 0.000 2.609 1192 Y HA 0.605 5.155 4.550 -0.000 0.000 0.342 1192 Y C -0.488 175.338 175.900 -0.122 0.000 1.058 1192 Y CA -0.772 57.280 58.100 -0.080 0.000 1.055 1192 Y CB 1.771 40.197 38.460 -0.057 0.000 1.292 1192 Y HN 0.382 nan 8.280 nan 0.000 0.476 1193 Q N 2.445 122.284 119.800 0.066 0.000 2.345 1193 Q HA 0.794 5.134 4.340 -0.000 0.000 0.268 1193 Q C -1.381 174.502 176.000 -0.195 0.000 1.054 1193 Q CA -0.869 54.833 55.803 -0.168 0.000 0.835 1193 Q CB 2.543 31.210 28.738 -0.119 0.000 1.339 1193 Q HN 0.734 nan 8.270 nan 0.000 0.447 1194 I N -1.671 118.727 120.570 -0.286 0.000 3.095 1194 I HA 0.555 4.724 4.170 -0.000 0.000 0.310 1194 I C -1.255 174.709 176.117 -0.255 0.000 1.196 1194 I CA -1.066 60.107 61.300 -0.212 0.000 0.985 1194 I CB 2.523 40.469 38.000 -0.089 0.000 1.250 1194 I HN 0.575 nan 8.210 nan 0.000 0.446 1195 H N 3.652 122.689 119.070 -0.055 0.000 2.495 1195 H HA 0.752 5.308 4.556 -0.000 0.000 0.348 1195 H C -0.852 174.485 175.328 0.015 0.000 1.113 1195 H CA -0.537 55.483 56.048 -0.048 0.000 1.195 1195 H CB 2.745 32.483 29.762 -0.041 0.000 1.521 1195 H HN 0.675 nan 8.280 nan 0.000 0.509 1196 I N -0.939 119.738 120.570 0.179 0.000 2.802 1196 I HA 0.460 4.630 4.170 -0.000 0.000 0.298 1196 I C -3.101 173.123 176.117 0.178 0.000 1.176 1196 I CA -2.897 58.499 61.300 0.159 0.000 1.025 1196 I CB 2.579 40.676 38.000 0.160 0.000 1.243 1196 I HN 0.154 nan 8.210 nan 0.000 0.424 1197 P HA -0.056 nan 4.420 nan 0.000 0.265 1197 P C -0.152 177.196 177.300 0.080 0.000 1.187 1197 P CA 0.299 63.457 63.100 0.098 0.000 0.766 1197 P CB 0.244 31.953 31.700 0.016 0.000 0.820 1198 Y N 3.677 124.004 120.300 0.046 0.000 2.207 1198 Y HA -0.233 4.317 4.550 -0.000 0.000 0.287 1198 Y C 2.318 178.172 175.900 -0.076 0.000 1.156 1198 Y CA 2.164 60.243 58.100 -0.035 0.000 1.182 1198 Y CB -0.812 37.583 38.460 -0.108 0.000 0.979 1198 Y HN 0.436 nan 8.280 nan 0.000 0.521 1199 A N -0.245 122.520 122.820 -0.092 0.000 1.969 1199 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 1199 A C 2.418 179.824 177.584 -0.297 0.000 1.169 1199 A CA 1.531 53.459 52.037 -0.181 0.000 0.635 1199 A CB -1.251 17.688 19.000 -0.102 0.000 0.810 1199 A HN 0.506 nan 8.150 nan 0.000 0.445 1200 A N -0.017 122.624 122.820 -0.299 0.000 1.873 1200 A HA -0.154 4.165 4.320 -0.000 0.000 0.215 1200 A C 2.169 179.445 177.584 -0.514 0.000 1.186 1200 A CA 1.852 53.579 52.037 -0.516 0.000 0.616 1200 A CB -0.453 18.298 19.000 -0.415 0.000 0.823 1200 A HN 0.424 nan 8.150 nan 0.000 0.442 1201 K N 0.016 120.251 120.400 -0.275 0.000 2.063 1201 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 1201 K C 1.950 178.352 176.600 -0.331 0.000 1.048 1201 K CA 1.677 57.860 56.287 -0.172 0.000 0.928 1201 K CB -0.444 31.871 32.500 -0.309 0.000 0.713 1201 K HN 0.529 nan 8.250 nan 0.000 0.442 1202 L N 0.787 121.661 121.223 -0.580 0.000 1.994 1202 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 1202 L C 2.693 179.434 176.870 -0.215 0.000 1.071 1202 L CA 0.821 55.441 54.840 -0.365 0.000 0.745 1202 L CB -0.644 41.230 42.059 -0.307 0.000 0.892 1202 L HN 0.195 nan 8.230 nan 0.000 0.431 1203 L N -0.228 120.822 121.223 -0.288 0.000 2.034 1203 L HA -0.288 4.052 4.340 -0.000 0.000 0.217 1203 L C 2.343 179.170 176.870 -0.071 0.000 1.077 1203 L CA 2.038 56.730 54.840 -0.246 0.000 0.769 1203 L CB -0.568 41.245 42.059 -0.410 0.000 0.890 1203 L HN 0.051 nan 8.230 nan 0.000 0.435 1204 F N -1.092 118.805 119.950 -0.088 0.000 2.146 1204 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 1204 F C 2.624 178.386 175.800 -0.065 0.000 1.096 1204 F CA 1.001 58.960 58.000 -0.069 0.000 1.275 1204 F CB -0.353 38.605 39.000 -0.069 0.000 1.008 1204 F HN 0.147 nan 8.300 nan 0.000 0.480 1205 Q N 0.504 120.375 119.800 0.118 0.000 2.096 1205 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 1205 Q C 1.924 177.945 176.000 0.036 0.000 0.982 1205 Q CA 1.776 57.611 55.803 0.054 0.000 0.850 1205 Q CB -0.255 28.489 28.738 0.009 0.000 0.901 1205 Q HN 0.505 nan 8.270 nan 0.000 0.422 1206 E N 0.456 120.665 120.200 0.015 0.000 2.118 1206 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 1206 E C 1.889 178.504 176.600 0.026 0.000 0.992 1206 E CA 0.860 57.264 56.400 0.007 0.000 0.804 1206 E CB -0.063 29.629 29.700 -0.014 0.000 0.741 1206 E HN 0.319 nan 8.360 nan 0.000 0.458 1207 L N -0.004 121.251 121.223 0.053 0.000 2.156 1207 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 1207 L C 2.368 179.259 176.870 0.036 0.000 1.095 1207 L CA 0.692 55.564 54.840 0.054 0.000 0.770 1207 L CB -0.156 41.963 42.059 0.099 0.000 0.914 1207 L HN 0.250 nan 8.230 nan 0.000 0.439 1208 M N -0.829 118.791 119.600 0.033 0.000 2.117 1208 M HA -0.211 4.269 4.480 -0.000 0.000 0.262 1208 M C 2.545 178.853 176.300 0.014 0.000 1.065 1208 M CA 1.785 57.094 55.300 0.015 0.000 1.114 1208 M CB -0.510 32.098 32.600 0.013 0.000 1.361 1208 M HN 0.322 nan 8.290 nan 0.000 0.408 1209 A N 0.643 123.473 122.820 0.016 0.000 1.915 1209 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 1209 A C 1.877 179.468 177.584 0.012 0.000 1.198 1209 A CA 1.877 53.922 52.037 0.013 0.000 0.647 1209 A CB -0.771 18.235 19.000 0.011 0.000 0.825 1209 A HN 0.548 nan 8.150 nan 0.000 0.456 1210 M N -0.507 119.101 119.600 0.013 0.000 2.729 1210 M HA 0.119 4.599 4.480 -0.000 0.000 0.229 1210 M C 0.514 176.822 176.300 0.012 0.000 1.280 1210 M CA 0.088 55.395 55.300 0.012 0.000 1.012 1210 M CB -0.630 31.978 32.600 0.013 0.000 1.603 1210 M HN 0.575 nan 8.290 nan 0.000 0.452 1211 N N 1.062 119.769 118.700 0.010 0.000 2.732 1211 N HA -0.194 4.546 4.740 -0.000 0.000 0.250 1211 N C -0.534 174.980 175.510 0.007 0.000 1.097 1211 N CA 0.623 53.677 53.050 0.008 0.000 0.812 1211 N CB -0.504 37.988 38.487 0.008 0.000 1.148 1211 N HN 0.436 nan 8.380 nan 0.000 0.572 1212 I N 1.444 122.020 120.570 0.010 0.000 2.365 1212 I HA 0.085 4.255 4.170 -0.000 0.000 0.291 1212 I C 0.795 176.911 176.117 -0.003 0.000 1.004 1212 I CA -0.291 61.014 61.300 0.008 0.000 1.311 1212 I CB 1.467 39.477 38.000 0.017 0.000 1.401 1212 I HN 0.006 nan 8.210 nan 0.000 0.491 1213 T N 4.094 118.638 114.554 -0.016 0.000 2.727 1213 T HA 0.433 4.783 4.350 -0.000 0.000 0.298 1213 T C -2.274 172.383 174.700 -0.071 0.000 0.942 1213 T CA -1.600 60.472 62.100 -0.046 0.000 0.997 1213 T CB 0.615 69.455 68.868 -0.045 0.000 0.917 1213 T HN 0.331 nan 8.240 nan 0.000 0.487 1214 P HA 0.381 nan 4.420 nan 0.000 0.238 1214 P C -0.457 176.614 177.300 -0.381 0.000 1.758 1214 P CA -0.696 62.280 63.100 -0.207 0.000 1.142 1214 P CB 0.382 31.972 31.700 -0.183 0.000 1.722 1215 R N 2.580 122.901 120.500 -0.298 0.000 2.267 1215 R HA 0.365 4.705 4.340 -0.000 0.000 0.319 1215 R C 0.183 176.163 176.300 -0.534 0.000 1.067 1215 R CA -0.573 55.269 56.100 -0.429 0.000 0.936 1215 R CB 0.713 30.750 30.300 -0.439 0.000 1.006 1215 R HN 0.438 nan 8.270 nan 0.000 0.452 1216 L N 5.226 126.128 121.223 -0.536 0.000 2.268 1216 L HA 0.314 4.654 4.340 -0.000 0.000 0.289 1216 L C -0.479 176.143 176.870 -0.413 0.000 1.064 1216 L CA -0.475 54.125 54.840 -0.400 0.000 0.824 1216 L CB -0.148 41.728 42.059 -0.305 0.000 1.202 1216 L HN 0.484 nan 8.230 nan 0.000 0.433 1217 Y N 0.936 121.198 120.300 -0.064 0.000 2.308 1217 Y HA 0.149 4.699 4.550 -0.000 0.000 0.329 1217 Y C 1.708 177.559 175.900 -0.081 0.000 1.111 1217 Y CA -0.746 57.323 58.100 -0.052 0.000 1.179 1217 Y CB 1.618 40.059 38.460 -0.032 0.000 1.201 1217 Y HN 0.601 nan 8.280 nan 0.000 0.483 1218 T N -2.833 111.727 114.554 0.010 0.000 3.054 1218 T HA -0.003 4.347 4.350 -0.000 0.000 0.259 1218 T C -0.192 174.454 174.700 -0.090 0.000 1.092 1218 T CA 0.114 62.124 62.100 -0.150 0.000 1.121 1218 T CB -0.360 68.227 68.868 -0.470 0.000 0.912 1218 T HN 0.596 nan 8.240 nan 0.000 0.489 1219 D N 0.203 120.585 120.400 -0.030 0.000 2.217 1219 D HA 0.504 5.144 4.640 -0.000 0.000 0.243 1219 D C 0.720 177.013 176.300 -0.012 0.000 1.054 1219 D CA -1.018 52.966 54.000 -0.028 0.000 0.838 1219 D CB 1.883 42.665 40.800 -0.029 0.000 1.162 1219 D HN -0.107 nan 8.370 nan 0.000 0.472 1220 R N 1.011 121.507 120.500 -0.007 0.000 2.072 1220 R HA -0.067 4.273 4.340 -0.000 0.000 0.221 1220 R C 1.508 177.801 176.300 -0.011 0.000 1.166 1220 R CA 1.341 57.440 56.100 -0.001 0.000 0.917 1220 R CB -0.309 29.993 30.300 0.003 0.000 0.815 1220 R HN 0.579 nan 8.270 nan 0.000 0.444 1221 S N 1.265 116.964 115.700 -0.001 0.000 3.054 1221 S HA 0.077 4.547 4.470 -0.000 0.000 0.243 1221 S C -0.314 174.306 174.600 0.032 0.000 1.013 1221 S CA -0.209 58.000 58.200 0.015 0.000 1.119 1221 S CB -0.454 62.757 63.200 0.019 0.000 0.838 1221 S HN 0.321 nan 8.310 nan 0.000 0.505 1222 R N 0.227 120.720 120.500 -0.012 0.000 4.015 1222 R HA -0.145 4.195 4.340 -0.000 0.000 0.412 1222 R C 0.167 176.463 176.300 -0.007 0.000 0.241 1222 R CA 0.920 57.004 56.100 -0.026 0.000 1.314 1222 R CB -1.613 28.689 30.300 0.004 0.000 1.116 1222 R HN 0.389 nan 8.270 nan 0.000 0.506 1223 D N -0.024 120.366 120.400 -0.015 0.000 2.315 1223 D HA -0.016 4.624 4.640 -0.000 0.000 0.211 1223 D C 0.505 176.836 176.300 0.051 0.000 0.977 1223 D CA 2.125 56.123 54.000 -0.004 0.000 0.894 1223 D CB 0.067 40.861 40.800 -0.011 0.000 0.910 1223 D HN 0.220 nan 8.370 nan 0.000 0.490 1224 F N 0.000 119.929 119.950 -0.034 0.000 2.286 1224 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1224 F CA 0.000 57.985 58.000 -0.026 0.000 1.383 1224 F CB 0.000 38.989 39.000 -0.019 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574