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 3ei1_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSYNYVVTAQ KPTAVNGCVT GHFTSAEDLN LLIAKNTRLE IYVVTAEGLR DATA SEQUENCE PVKEVGMYGK IAVMELFRPK GESKDLLFIL TAKYNACILE YKQSGESIDI DATA SEQUENCE ITRAHGNVQD RIGRPSETGI IGIIDPECRM IGLRLYDGLF KVIPLDRDNK DATA SEQUENCE ELKAFNIRLE ELHVIDVKFL YGCQAPTICF VYQDPQGRHV KTYEVSLREK DATA SEQUENCE EFNKGPWKQE NVEAEASMVI AVPEPFGGAI IIGQESITYH NGDKYLAIAP DATA SEQUENCE PIIKQSTIVC HNRVDPNGSR YLLGDMEGRL FMLLLEKEEQ XXXXVTLKDL DATA SEQUENCE RVELLGETSI AECLTYLDNG VVFVGSRLGD SQLVKLNVDS NEQGSYVVAM DATA SEQUENCE ETFTNLGPIV DMCVVDLERQ GQGQLVTCSG AFKEGSLRII RNGIGIHEHA DATA SEQUENCE SIDLPGIKGL WPLRSDPNRE TDDTLVLSFV GQTRVLMLNG EEVEETELMG DATA SEQUENCE FVDDQQTFFC GNVAHQQLIQ ITSASVRLVS QEPKALVSEW KEPQAKNISV DATA SEQUENCE ASCNSSQVVV AVGRALYYLQ IHPQELRQIS HTEMEHEVAC LDITPLGXXX DATA SEQUENCE GLSPLCAIGL WTDISARILK LPSFELLHKE MLGGEIIPRS ILMTTFESSH DATA SEQUENCE YLLCALGDGA LFYFGLNIET GLLSDRKKVT LGTQPTVLRT FRSLSTTNVF DATA SEQUENCE ACSDRPTVIY SSNHKLVFSN VNLKEVNYMC PLNSDGYPDS LALANNSTLT DATA SEQUENCE IGTIDEIQKL HIRTVPLYES PRKICYQEVS QCFGVLSSRI EVQDTSGGTT DATA SEQUENCE ALRPSASTQA LSSSVSSSKL FXXXXXXXXX XXGEEVEVHN LLIIDQHTFE DATA SEQUENCE VLHAHQFLQN EYALSLVSCK LGKDPNTYFI VGTAMVYPEE AEPKQGRIVV DATA SEQUENCE FQYSDGKLQT VAEKEVKGAV YSMVEFNGKL LASINSTVRL YEWTTEKELR DATA SEQUENCE TECNHYNNIM ALYLKTKGDF ILVGDLMRSV LLLAYKPMEG NFEEIARDFN DATA SEQUENCE PNWMSAVEIL DDDNFLGAEN AFNLFVCQKD SAATTDEERQ HLQEVGLFHL DATA SEQUENCE GEFVNVFCHG SLVMQXXXXX XXPTQGSVLF GTVNGMIGLV TSLSESWYNL DATA SEQUENCE LLDMQNRLNK VIKSVGKIEH SFWRSFHTER KTEPATGFID GDLIESFLDI DATA SEQUENCE SRPKMQEVVA NLQXXXXXXX XXXATADDLI KVVEELTRIH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.008 176.300 -0.487 0.000 1.140 1 M CA 0.000 55.094 55.300 -0.344 0.000 0.988 1 M CB 0.000 32.386 32.600 -0.356 0.000 1.302 2 S N 3.395 118.725 115.700 -0.616 0.000 2.449 2 S HA 0.854 5.298 4.470 -0.044 0.000 0.310 2 S C -1.576 172.546 174.600 -0.797 0.000 1.096 2 S CA -0.397 57.473 58.200 -0.550 0.000 1.095 2 S CB 0.706 63.676 63.200 -0.383 0.000 1.007 2 S HN 0.572 nan 8.310 nan 0.000 0.474 3 Y N 2.425 122.541 120.300 -0.308 0.000 2.393 3 Y HA 0.553 5.077 4.550 -0.044 0.000 0.341 3 Y C 0.659 176.415 175.900 -0.240 0.000 0.988 3 Y CA -0.897 56.980 58.100 -0.370 0.000 1.078 3 Y CB 1.698 39.931 38.460 -0.378 0.000 1.203 3 Y HN 0.694 nan 8.280 nan 0.000 0.453 4 N N 1.247 119.850 118.700 -0.162 0.000 2.577 4 N HA 0.386 5.099 4.740 -0.044 0.000 0.285 4 N C -1.985 173.571 175.510 0.077 0.000 1.309 4 N CA -0.868 52.079 53.050 -0.172 0.000 0.798 4 N CB 2.814 40.965 38.487 -0.559 0.000 1.463 4 N HN 0.680 nan 8.380 nan 0.000 0.518 5 Y N 0.300 120.591 120.300 -0.014 0.000 2.330 5 Y HA 0.357 4.881 4.550 -0.044 0.000 0.324 5 Y C -1.704 174.239 175.900 0.071 0.000 1.093 5 Y CA -0.638 57.491 58.100 0.048 0.000 1.103 5 Y CB 0.980 39.475 38.460 0.058 0.000 1.183 5 Y HN 0.208 nan 8.280 nan 0.000 0.433 6 V N 6.813 126.566 119.914 -0.268 0.000 2.459 6 V HA 0.774 4.868 4.120 -0.044 0.000 0.295 6 V C -0.534 175.407 176.094 -0.255 0.000 1.029 6 V CA -0.816 61.409 62.300 -0.126 0.000 0.874 6 V CB 1.123 32.889 31.823 -0.095 0.000 0.985 6 V HN 0.647 nan 8.190 nan 0.000 0.438 7 V N 0.753 120.618 119.914 -0.083 0.000 2.876 7 V HA 0.645 4.739 4.120 -0.044 0.000 0.312 7 V C -0.065 175.946 176.094 -0.138 0.000 1.085 7 V CA -0.602 61.627 62.300 -0.118 0.000 0.945 7 V CB 1.722 33.497 31.823 -0.080 0.000 1.017 7 V HN 0.731 nan 8.190 nan 0.000 0.428 8 T N 2.963 117.432 114.554 -0.141 0.000 2.851 8 T HA 0.520 4.843 4.350 -0.044 0.000 0.298 8 T C 1.106 175.596 174.700 -0.350 0.000 0.977 8 T CA 0.575 62.575 62.100 -0.168 0.000 1.126 8 T CB 1.501 70.336 68.868 -0.054 0.000 0.916 8 T HN 1.193 nan 8.240 nan 0.000 0.529 9 A N 3.057 125.700 122.820 -0.295 0.000 1.973 9 A HA 0.273 4.567 4.320 -0.044 0.000 0.210 9 A C 0.932 178.477 177.584 -0.066 0.000 1.200 9 A CA 0.416 52.329 52.037 -0.206 0.000 0.707 9 A CB 0.157 19.084 19.000 -0.121 0.000 0.862 9 A HN 0.616 nan 8.150 nan 0.000 0.461 10 Q N 0.492 120.242 119.800 -0.084 0.000 2.263 10 Q HA 0.409 4.722 4.340 -0.044 0.000 0.266 10 Q C -1.323 174.656 176.000 -0.035 0.000 1.002 10 Q CA -0.416 55.365 55.803 -0.037 0.000 0.790 10 Q CB 1.125 29.842 28.738 -0.034 0.000 1.272 10 Q HN 0.321 nan 8.270 nan 0.000 0.435 11 K N 4.298 124.693 120.400 -0.009 0.000 2.276 11 K HA 0.274 4.568 4.320 -0.044 0.000 0.259 11 K C -2.138 174.466 176.600 0.006 0.000 1.001 11 K CA -1.483 54.806 56.287 0.004 0.000 0.927 11 K CB -0.045 32.461 32.500 0.009 0.000 0.969 11 K HN 0.552 nan 8.250 nan 0.000 0.490 12 P HA -0.097 nan 4.420 nan 0.000 0.264 12 P C 0.202 177.510 177.300 0.012 0.000 1.183 12 P CA 0.452 63.561 63.100 0.016 0.000 0.763 12 P CB 0.507 32.218 31.700 0.018 0.000 0.807 13 T N -1.334 113.228 114.554 0.014 0.000 2.971 13 T HA 0.331 4.655 4.350 -0.044 0.000 0.252 13 T C 0.862 175.580 174.700 0.029 0.000 1.022 13 T CA -0.041 62.072 62.100 0.022 0.000 0.980 13 T CB 0.025 68.905 68.868 0.019 0.000 1.044 13 T HN 0.464 nan 8.240 nan 0.000 0.501 14 A N 1.620 124.453 122.820 0.021 0.000 2.388 14 A HA 0.617 4.910 4.320 -0.044 0.000 0.257 14 A C 0.046 177.647 177.584 0.029 0.000 1.095 14 A CA -0.437 51.614 52.037 0.023 0.000 0.791 14 A CB 0.355 19.363 19.000 0.013 0.000 1.029 14 A HN 0.325 nan 8.150 nan 0.000 0.489 15 V N 3.534 123.474 119.914 0.043 0.000 2.348 15 V HA 0.082 4.175 4.120 -0.044 0.000 0.270 15 V C 0.653 176.769 176.094 0.038 0.000 1.037 15 V CA -0.074 62.263 62.300 0.061 0.000 0.872 15 V CB 0.468 32.369 31.823 0.131 0.000 1.002 15 V HN 1.020 nan 8.190 nan 0.000 0.464 16 N N 3.035 121.746 118.700 0.018 0.000 2.416 16 N HA 0.275 4.989 4.740 -0.044 0.000 0.177 16 N C 0.636 176.151 175.510 0.008 0.000 1.036 16 N CA 0.801 53.852 53.050 0.001 0.000 0.901 16 N CB 0.380 38.852 38.487 -0.024 0.000 0.976 16 N HN 0.821 nan 8.380 nan 0.000 0.444 17 G N -0.847 107.967 108.800 0.023 0.000 2.519 17 G HA2 0.450 4.384 3.960 -0.044 0.000 0.292 17 G HA3 0.450 4.384 3.960 -0.044 0.000 0.292 17 G C -1.769 173.162 174.900 0.052 0.000 1.507 17 G CA -0.780 44.338 45.100 0.031 0.000 0.806 17 G HN 0.224 nan 8.290 nan 0.000 0.523 18 C N -0.485 118.858 119.300 0.071 0.000 2.701 18 C HA 0.894 5.328 4.460 -0.044 0.000 0.336 18 C C -0.594 174.421 174.990 0.042 0.000 1.123 18 C CA -0.965 58.093 59.018 0.067 0.000 1.326 18 C CB 0.822 28.686 27.740 0.205 0.000 1.833 18 C HN 1.028 nan 8.230 nan 0.000 0.473 19 V N 1.763 121.671 119.914 -0.009 0.000 3.001 19 V HA 0.866 4.960 4.120 -0.044 0.000 0.314 19 V C -0.113 175.961 176.094 -0.034 0.000 1.099 19 V CA 0.295 62.593 62.300 -0.004 0.000 0.989 19 V CB 2.583 34.401 31.823 -0.010 0.000 1.040 19 V HN 1.166 nan 8.190 nan 0.000 0.434 20 T N 2.020 116.563 114.554 -0.017 0.000 2.924 20 T HA 0.920 5.244 4.350 -0.044 0.000 0.291 20 T C -0.194 174.450 174.700 -0.092 0.000 1.045 20 T CA 0.431 62.498 62.100 -0.054 0.000 1.015 20 T CB 1.431 70.285 68.868 -0.024 0.000 1.103 20 T HN 1.537 nan 8.240 nan 0.000 0.496 21 G N 1.390 110.071 108.800 -0.198 0.000 2.351 21 G HA2 0.222 4.156 3.960 -0.044 0.000 0.279 21 G HA3 0.222 4.156 3.960 -0.044 0.000 0.279 21 G C -1.844 172.778 174.900 -0.464 0.000 1.297 21 G CA -0.736 44.159 45.100 -0.342 0.000 0.886 21 G HN 0.719 nan 8.290 nan 0.000 0.493 22 H N 0.468 119.583 119.070 0.075 0.000 2.530 22 H HA 0.442 4.971 4.556 -0.046 0.000 0.246 22 H C -0.011 175.368 175.328 0.086 0.000 1.346 22 H CA -0.521 55.560 56.048 0.055 0.000 1.424 22 H CB 0.838 30.618 29.762 0.029 0.000 1.445 22 H HN 0.323 nan 8.280 nan 0.000 0.511 23 F N 2.240 122.163 119.950 -0.044 0.000 2.453 23 F HA -0.068 4.433 4.527 -0.045 0.000 0.284 23 F C 2.301 178.003 175.800 -0.162 0.000 1.065 23 F CA 1.137 59.085 58.000 -0.087 0.000 1.411 23 F CB 0.293 39.226 39.000 -0.111 0.000 1.131 23 F HN 0.320 nan 8.300 nan 0.000 0.582 24 T N -1.943 112.366 114.554 -0.409 0.000 2.896 24 T HA 0.166 4.490 4.350 -0.044 0.000 0.263 24 T C 0.886 175.402 174.700 -0.307 0.000 1.050 24 T CA 0.681 62.285 62.100 -0.827 0.000 1.140 24 T CB -0.595 67.705 68.868 -0.946 0.000 0.877 24 T HN 0.319 nan 8.240 nan 0.000 0.457 25 S N -1.020 114.590 115.700 -0.150 0.000 2.625 25 S HA 0.747 5.191 4.470 -0.044 0.000 0.271 25 S C 1.041 175.631 174.600 -0.015 0.000 1.161 25 S CA -0.361 57.803 58.200 -0.061 0.000 0.820 25 S CB 1.158 64.332 63.200 -0.044 0.000 1.137 25 S HN 0.320 nan 8.310 nan 0.000 0.470 26 A N 0.772 123.575 122.820 -0.028 0.000 1.969 26 A HA 0.066 4.360 4.320 -0.044 0.000 0.218 26 A C 1.748 179.262 177.584 -0.116 0.000 1.169 26 A CA 1.835 53.837 52.037 -0.058 0.000 0.635 26 A CB -1.110 17.850 19.000 -0.068 0.000 0.810 26 A HN 0.865 nan 8.150 nan 0.000 0.445 27 E N 0.763 120.924 120.200 -0.064 0.000 2.072 27 E HA -0.041 4.283 4.350 -0.044 0.000 0.190 27 E C 0.186 176.781 176.600 -0.009 0.000 0.982 27 E CA 1.091 57.457 56.400 -0.056 0.000 0.803 27 E CB -0.157 29.524 29.700 -0.033 0.000 0.755 27 E HN 0.865 nan 8.360 nan 0.000 0.453 28 D N -0.154 120.267 120.400 0.035 0.000 2.253 28 D HA 0.245 4.859 4.640 -0.044 0.000 0.249 28 D C -0.598 175.815 176.300 0.188 0.000 1.049 28 D CA -0.719 53.324 54.000 0.073 0.000 0.929 28 D CB 0.938 41.748 40.800 0.018 0.000 1.176 28 D HN -0.095 nan 8.370 nan 0.000 0.437 29 L N 1.920 123.227 121.223 0.141 0.000 2.260 29 L HA 0.357 4.671 4.340 -0.044 0.000 0.289 29 L C -0.932 175.941 176.870 0.005 0.000 1.057 29 L CA -0.329 54.566 54.840 0.092 0.000 0.811 29 L CB 0.156 42.260 42.059 0.075 0.000 1.184 29 L HN 0.307 nan 8.230 nan 0.000 0.429 30 N N 4.789 123.464 118.700 -0.042 0.000 2.443 30 N HA 0.382 5.096 4.740 -0.044 0.000 0.295 30 N C -1.194 174.281 175.510 -0.057 0.000 1.076 30 N CA -0.548 52.484 53.050 -0.030 0.000 0.919 30 N CB 2.373 40.859 38.487 -0.002 0.000 1.176 30 N HN 0.463 nan 8.380 nan 0.000 0.487 31 L N 2.672 123.873 121.223 -0.037 0.000 2.280 31 L HA 0.456 4.769 4.340 -0.044 0.000 0.287 31 L C -1.407 175.432 176.870 -0.052 0.000 1.023 31 L CA -0.536 54.251 54.840 -0.087 0.000 0.819 31 L CB 0.722 42.664 42.059 -0.195 0.000 1.212 31 L HN 0.304 nan 8.230 nan 0.000 0.420 32 L N 6.494 127.654 121.223 -0.105 0.000 2.309 32 L HA 0.553 4.866 4.340 -0.044 0.000 0.282 32 L C -0.428 176.370 176.870 -0.121 0.000 1.036 32 L CA 0.102 54.869 54.840 -0.122 0.000 0.806 32 L CB 1.542 43.486 42.059 -0.193 0.000 1.220 32 L HN 0.509 nan 8.230 nan 0.000 0.429 33 I N 2.704 123.212 120.570 -0.103 0.000 2.447 33 I HA 0.573 4.716 4.170 -0.044 0.000 0.287 33 I C -0.239 175.839 176.117 -0.065 0.000 1.023 33 I CA -0.659 60.590 61.300 -0.086 0.000 1.083 33 I CB 1.926 39.858 38.000 -0.114 0.000 1.245 33 I HN 0.660 nan 8.210 nan 0.000 0.434 34 A N 6.330 129.122 122.820 -0.047 0.000 2.289 34 A HA 0.581 4.875 4.320 -0.044 0.000 0.298 34 A C -0.140 177.425 177.584 -0.030 0.000 1.208 34 A CA -0.460 51.543 52.037 -0.056 0.000 0.845 34 A CB 0.309 19.270 19.000 -0.066 0.000 1.125 34 A HN 0.724 nan 8.150 nan 0.000 0.517 35 K N 3.055 123.431 120.400 -0.040 0.000 2.762 35 K HA 0.179 4.473 4.320 -0.044 0.000 0.180 35 K C 0.111 176.689 176.600 -0.037 0.000 1.067 35 K CA -0.494 55.779 56.287 -0.024 0.000 0.973 35 K CB 0.294 32.786 32.500 -0.013 0.000 1.290 35 K HN 0.907 nan 8.250 nan 0.000 0.604 36 N N 0.639 119.309 118.700 -0.050 0.000 3.267 36 N HA -0.305 4.409 4.740 -0.044 0.000 0.194 36 N C 0.969 176.425 175.510 -0.089 0.000 0.368 36 N CA 3.277 56.287 53.050 -0.066 0.000 2.017 36 N CB -1.172 37.290 38.487 -0.041 0.000 1.401 36 N HN 0.458 nan 8.380 nan 0.000 0.383 37 T N -1.148 113.365 114.554 -0.068 0.000 3.086 37 T HA 0.335 4.659 4.350 -0.044 0.000 0.250 37 T C 0.587 175.216 174.700 -0.117 0.000 1.074 37 T CA 0.111 62.142 62.100 -0.115 0.000 0.988 37 T CB 0.044 68.887 68.868 -0.042 0.000 0.988 37 T HN 0.364 nan 8.240 nan 0.000 0.530 38 R N 0.873 121.321 120.500 -0.086 0.000 2.562 38 R HA 0.670 4.984 4.340 -0.044 0.000 0.298 38 R C -1.528 174.715 176.300 -0.095 0.000 0.961 38 R CA -0.937 55.113 56.100 -0.084 0.000 0.881 38 R CB 2.210 32.478 30.300 -0.053 0.000 1.159 38 R HN 0.206 nan 8.270 nan 0.000 0.450 39 L N 1.445 122.604 121.223 -0.107 0.000 2.333 39 L HA 0.401 4.715 4.340 -0.044 0.000 0.280 39 L C -0.734 176.062 176.870 -0.123 0.000 1.004 39 L CA -0.105 54.666 54.840 -0.115 0.000 0.820 39 L CB 1.655 43.637 42.059 -0.128 0.000 1.247 39 L HN 0.552 nan 8.230 nan 0.000 0.416 40 E N 6.096 126.215 120.200 -0.135 0.000 2.176 40 E HA 0.504 4.828 4.350 -0.044 0.000 0.267 40 E C -1.159 175.283 176.600 -0.263 0.000 0.893 40 E CA -0.458 55.810 56.400 -0.220 0.000 0.761 40 E CB 2.215 31.814 29.700 -0.168 0.000 1.133 40 E HN 0.535 nan 8.360 nan 0.000 0.409 41 I N 3.020 123.375 120.570 -0.357 0.000 2.404 41 I HA 0.382 4.526 4.170 -0.044 0.000 0.293 41 I C -0.845 175.001 176.117 -0.451 0.000 0.992 41 I CA -0.722 60.426 61.300 -0.253 0.000 1.149 41 I CB 0.654 38.617 38.000 -0.061 0.000 1.315 41 I HN 0.458 nan 8.210 nan 0.000 0.446 42 Y N 3.854 124.092 120.300 -0.104 0.000 2.576 42 Y HA 0.610 5.134 4.550 -0.043 0.000 0.346 42 Y C -0.329 175.520 175.900 -0.086 0.000 1.018 42 Y CA -1.068 56.973 58.100 -0.098 0.000 1.050 42 Y CB 2.047 40.417 38.460 -0.149 0.000 1.280 42 Y HN 0.114 nan 8.280 nan 0.000 0.474 43 V N 2.672 122.654 119.914 0.114 0.000 2.435 43 V HA 0.284 4.377 4.120 -0.044 0.000 0.290 43 V C -0.532 175.590 176.094 0.047 0.000 1.030 43 V CA -1.050 61.279 62.300 0.049 0.000 0.881 43 V CB 1.447 33.284 31.823 0.024 0.000 0.983 43 V HN 0.526 nan 8.190 nan 0.000 0.445 44 V N 5.375 125.299 119.914 0.016 0.000 2.381 44 V HA 0.186 4.280 4.120 -0.044 0.000 0.257 44 V C 0.914 177.013 176.094 0.008 0.000 1.057 44 V CA -0.080 62.217 62.300 -0.005 0.000 1.013 44 V CB 0.233 32.041 31.823 -0.026 0.000 1.069 44 V HN 1.074 nan 8.190 nan 0.000 0.484 45 T N 2.431 116.992 114.554 0.012 0.000 2.862 45 T HA 0.673 4.996 4.350 -0.044 0.000 0.276 45 T C 0.510 175.215 174.700 0.009 0.000 0.974 45 T CA -0.327 61.783 62.100 0.017 0.000 0.966 45 T CB 1.333 70.216 68.868 0.026 0.000 1.072 45 T HN 0.887 nan 8.240 nan 0.000 0.538 46 A N 1.000 123.827 122.820 0.012 0.000 2.524 46 A HA 0.267 4.561 4.320 -0.044 0.000 0.271 46 A C 0.806 178.394 177.584 0.007 0.000 1.097 46 A CA 0.083 52.125 52.037 0.009 0.000 0.791 46 A CB -1.482 17.526 19.000 0.013 0.000 1.028 46 A HN 1.046 nan 8.150 nan 0.000 0.518 47 E N 0.230 120.429 120.200 -0.001 0.000 2.450 47 E HA -0.217 4.107 4.350 -0.044 0.000 0.244 47 E C 0.624 177.226 176.600 0.003 0.000 1.226 47 E CA 1.607 58.005 56.400 -0.004 0.000 0.720 47 E CB -1.265 28.435 29.700 0.000 0.000 1.254 47 E HN 1.149 nan 8.360 nan 0.000 0.399 48 G N -1.187 107.615 108.800 0.004 0.000 3.135 48 G HA2 0.759 4.693 3.960 -0.044 0.000 0.278 48 G HA3 0.759 4.693 3.960 -0.044 0.000 0.278 48 G C -1.435 173.466 174.900 0.001 0.000 1.302 48 G CA -0.667 44.441 45.100 0.013 0.000 0.880 48 G HN 0.209 nan 8.290 nan 0.000 0.574 49 L N -0.168 121.063 121.223 0.013 0.000 2.737 49 L HA 0.515 4.829 4.340 -0.044 0.000 0.261 49 L C -0.586 176.335 176.870 0.086 0.000 0.949 49 L CA -0.355 54.476 54.840 -0.014 0.000 0.952 49 L CB 1.992 43.961 42.059 -0.151 0.000 1.337 49 L HN 0.572 nan 8.230 nan 0.000 0.430 50 R N 6.335 126.930 120.500 0.157 0.000 2.265 50 R HA 0.598 4.912 4.340 -0.044 0.000 0.328 50 R C -2.475 173.982 176.300 0.262 0.000 0.969 50 R CA -1.796 54.414 56.100 0.183 0.000 0.832 50 R CB 1.453 31.823 30.300 0.116 0.000 1.139 50 R HN 0.308 nan 8.270 nan 0.000 0.457 51 P HA -0.044 nan 4.420 nan 0.000 0.267 51 P C 0.394 177.747 177.300 0.089 0.000 1.209 51 P CA 0.098 63.182 63.100 -0.027 0.000 0.763 51 P CB 1.244 32.888 31.700 -0.094 0.000 0.816 52 V N 0.447 120.354 119.914 -0.012 0.000 3.090 52 V HA 0.416 4.510 4.120 -0.044 0.000 0.237 52 V C 0.435 176.626 176.094 0.162 0.000 1.209 52 V CA 0.750 63.133 62.300 0.138 0.000 1.209 52 V CB -0.565 31.277 31.823 0.032 0.000 0.971 52 V HN 0.436 nan 8.190 nan 0.000 0.477 53 K N 0.201 120.606 120.400 0.008 0.000 2.569 53 K HA 0.466 4.760 4.320 -0.044 0.000 0.259 53 K C -1.659 174.883 176.600 -0.096 0.000 0.932 53 K CA -0.223 56.078 56.287 0.024 0.000 0.833 53 K CB 2.039 34.611 32.500 0.120 0.000 1.340 53 K HN 0.284 nan 8.250 nan 0.000 0.429 54 E N 3.762 123.909 120.200 -0.088 0.000 2.216 54 E HA 0.440 4.763 4.350 -0.044 0.000 0.260 54 E C -1.233 175.323 176.600 -0.074 0.000 0.880 54 E CA -0.734 55.599 56.400 -0.111 0.000 0.765 54 E CB 1.512 31.133 29.700 -0.132 0.000 1.174 54 E HN 0.498 nan 8.360 nan 0.000 0.417 55 V N 0.658 120.526 119.914 -0.076 0.000 3.046 55 V HA 0.959 5.053 4.120 -0.044 0.000 0.316 55 V C 0.167 176.198 176.094 -0.106 0.000 1.104 55 V CA -0.722 61.528 62.300 -0.083 0.000 1.006 55 V CB 1.781 33.556 31.823 -0.079 0.000 1.058 55 V HN 0.566 nan 8.190 nan 0.000 0.440 56 G N 1.896 110.618 108.800 -0.129 0.000 2.420 56 G HA2 0.689 4.622 3.960 -0.044 0.000 0.331 56 G HA3 0.689 4.622 3.960 -0.044 0.000 0.331 56 G C -0.862 173.880 174.900 -0.264 0.000 1.168 56 G CA -1.008 43.998 45.100 -0.157 0.000 0.936 56 G HN 0.724 nan 8.290 nan 0.000 0.479 57 M N 0.796 120.219 119.600 -0.295 0.000 2.436 57 M HA 0.260 4.714 4.480 -0.044 0.000 0.331 57 M C -1.001 174.973 176.300 -0.543 0.000 1.135 57 M CA -0.820 54.238 55.300 -0.404 0.000 0.987 57 M CB 2.374 34.775 32.600 -0.331 0.000 1.687 57 M HN 0.453 nan 8.290 nan 0.000 0.445 58 Y N 1.517 121.453 120.300 -0.607 0.000 2.734 58 Y HA 0.476 4.999 4.550 -0.043 0.000 0.353 58 Y C 0.893 175.965 175.900 -1.380 0.000 1.244 58 Y CA -0.449 56.917 58.100 -1.224 0.000 1.950 58 Y CB -0.935 37.234 38.460 -0.485 0.000 2.028 58 Y HN 0.748 nan 8.280 nan 0.000 0.421 59 G N 0.692 108.572 108.800 -1.532 0.000 2.429 59 G HA2 0.254 4.187 3.960 -0.044 0.000 0.300 59 G HA3 0.254 4.187 3.960 -0.044 0.000 0.300 59 G C -1.482 173.106 174.900 -0.521 0.000 1.598 59 G CA -1.341 43.268 45.100 -0.817 0.000 0.863 59 G HN 0.118 nan 8.290 nan 0.000 0.614 60 K N 1.283 121.574 120.400 -0.182 0.000 2.285 60 K HA 0.358 4.651 4.320 -0.044 0.000 0.286 60 K C 0.247 176.752 176.600 -0.159 0.000 1.072 60 K CA -0.350 55.860 56.287 -0.128 0.000 0.913 60 K CB 1.614 34.057 32.500 -0.095 0.000 1.067 60 K HN 0.374 nan 8.250 nan 0.000 0.479 61 I N 3.336 123.808 120.570 -0.164 0.000 2.494 61 I HA -0.080 4.064 4.170 -0.044 0.000 0.289 61 I C 1.132 177.169 176.117 -0.133 0.000 1.106 61 I CA 0.196 61.399 61.300 -0.161 0.000 1.369 61 I CB 0.851 38.758 38.000 -0.154 0.000 1.410 61 I HN 0.812 nan 8.210 nan 0.000 0.523 62 A N 6.435 129.171 122.820 -0.139 0.000 2.014 62 A HA 0.290 4.584 4.320 -0.044 0.000 0.210 62 A C 0.686 178.223 177.584 -0.078 0.000 1.188 62 A CA 0.446 52.420 52.037 -0.105 0.000 0.731 62 A CB 0.466 19.396 19.000 -0.117 0.000 0.858 62 A HN 0.437 nan 8.150 nan 0.000 0.464 63 V N 0.254 120.104 119.914 -0.107 0.000 2.588 63 V HA 0.552 4.646 4.120 -0.044 0.000 0.304 63 V C -0.602 175.428 176.094 -0.107 0.000 1.042 63 V CA -0.213 62.050 62.300 -0.062 0.000 0.877 63 V CB 1.507 33.335 31.823 0.009 0.000 0.996 63 V HN 0.496 nan 8.190 nan 0.000 0.425 64 M N 4.540 124.120 119.600 -0.034 0.000 2.090 64 M HA 0.552 5.006 4.480 -0.044 0.000 0.277 64 M C -1.542 174.784 176.300 0.044 0.000 0.935 64 M CA -0.195 55.080 55.300 -0.042 0.000 0.966 64 M CB 1.216 33.773 32.600 -0.072 0.000 1.635 64 M HN 0.613 nan 8.290 nan 0.000 0.446 65 E N 4.578 124.855 120.200 0.129 0.000 2.293 65 E HA 0.526 4.849 4.350 -0.044 0.000 0.270 65 E C -1.480 175.271 176.600 0.252 0.000 0.879 65 E CA -0.614 55.904 56.400 0.197 0.000 0.756 65 E CB 2.972 32.827 29.700 0.257 0.000 1.208 65 E HN 0.735 nan 8.360 nan 0.000 0.428 66 L N 3.317 124.661 121.223 0.201 0.000 2.295 66 L HA 0.561 4.875 4.340 -0.044 0.000 0.285 66 L C -0.469 176.591 176.870 0.317 0.000 1.035 66 L CA -0.887 54.069 54.840 0.192 0.000 0.806 66 L CB 0.393 42.489 42.059 0.060 0.000 1.214 66 L HN 0.455 nan 8.230 nan 0.000 0.426 67 F N 0.874 120.887 119.950 0.105 0.000 2.601 67 F HA 0.635 5.135 4.527 -0.045 0.000 0.309 67 F C -0.742 175.117 175.800 0.099 0.000 1.089 67 F CA -1.120 56.934 58.000 0.091 0.000 0.940 67 F CB 1.484 40.517 39.000 0.055 0.000 1.273 67 F HN 0.268 nan 8.300 nan 0.000 0.450 68 R N 3.681 124.251 120.500 0.116 0.000 2.272 68 R HA 0.522 4.836 4.340 -0.044 0.000 0.323 68 R C -2.775 173.593 176.300 0.113 0.000 1.002 68 R CA -1.808 54.310 56.100 0.031 0.000 0.900 68 R CB 1.114 31.452 30.300 0.062 0.000 1.151 68 R HN 0.474 nan 8.270 nan 0.000 0.507 69 P HA 0.010 nan 4.420 nan 0.000 0.272 69 P C -0.993 176.353 177.300 0.078 0.000 1.240 69 P CA -0.391 62.794 63.100 0.142 0.000 0.791 69 P CB 0.589 32.378 31.700 0.148 0.000 0.978 70 K N 0.989 121.431 120.400 0.069 0.000 2.472 70 K HA 0.249 4.543 4.320 -0.044 0.000 0.280 70 K C 0.768 177.389 176.600 0.036 0.000 1.028 70 K CA 1.021 57.336 56.287 0.047 0.000 1.045 70 K CB -0.799 31.725 32.500 0.039 0.000 0.902 70 K HN 0.783 nan 8.250 nan 0.000 0.478 71 G N 3.274 112.090 108.800 0.027 0.000 2.324 71 G HA2 -0.219 3.715 3.960 -0.044 0.000 0.292 71 G HA3 -0.219 3.715 3.960 -0.044 0.000 0.292 71 G C -0.607 174.301 174.900 0.012 0.000 1.079 71 G CA -0.076 45.034 45.100 0.017 0.000 1.026 71 G HN 0.577 nan 8.290 nan 0.000 0.506 72 E N -0.516 119.689 120.200 0.009 0.000 2.272 72 E HA 0.413 4.737 4.350 -0.044 0.000 0.269 72 E C 1.235 177.830 176.600 -0.009 0.000 0.877 72 E CA -0.040 56.357 56.400 -0.005 0.000 0.755 72 E CB 1.530 31.221 29.700 -0.016 0.000 1.192 72 E HN 0.311 nan 8.360 nan 0.000 0.422 73 S N 2.459 118.149 115.700 -0.017 0.000 2.402 73 S HA -0.111 4.333 4.470 -0.044 0.000 0.229 73 S C 0.760 175.349 174.600 -0.019 0.000 1.021 73 S CA 0.882 59.071 58.200 -0.019 0.000 0.974 73 S CB -0.195 62.991 63.200 -0.024 0.000 0.800 73 S HN 0.524 nan 8.310 nan 0.000 0.484 74 K N 0.245 120.632 120.400 -0.021 0.000 2.556 74 K HA 0.441 4.735 4.320 -0.044 0.000 0.274 74 K C -2.240 174.359 176.600 -0.002 0.000 0.966 74 K CA -1.012 55.274 56.287 -0.003 0.000 0.865 74 K CB 0.681 33.167 32.500 -0.022 0.000 1.444 74 K HN -0.243 nan 8.250 nan 0.000 0.433 75 D N 1.479 121.913 120.400 0.057 0.000 2.548 75 D HA 0.058 4.672 4.640 -0.044 0.000 0.231 75 D C -0.027 176.302 176.300 0.049 0.000 1.142 75 D CA 0.438 54.465 54.000 0.045 0.000 0.866 75 D CB 0.381 41.262 40.800 0.136 0.000 1.190 75 D HN 0.337 nan 8.370 nan 0.000 0.469 76 L N 1.150 122.251 121.223 -0.205 0.000 2.332 76 L HA 0.488 4.802 4.340 -0.044 0.000 0.269 76 L C -0.308 176.484 176.870 -0.129 0.000 1.016 76 L CA -1.268 53.463 54.840 -0.181 0.000 0.809 76 L CB 1.090 42.848 42.059 -0.503 0.000 1.280 76 L HN 0.172 nan 8.230 nan 0.000 0.447 77 L N 1.198 122.479 121.223 0.097 0.000 2.313 77 L HA 0.479 4.793 4.340 -0.044 0.000 0.283 77 L C -1.085 175.966 176.870 0.302 0.000 1.013 77 L CA -0.037 54.846 54.840 0.073 0.000 0.816 77 L CB 1.269 43.180 42.059 -0.246 0.000 1.236 77 L HN 0.305 nan 8.230 nan 0.000 0.419 78 F N 6.450 126.558 119.950 0.264 0.000 2.415 78 F HA 0.676 5.176 4.527 -0.044 0.000 0.348 78 F C -0.802 175.032 175.800 0.057 0.000 1.119 78 F CA -0.700 57.420 58.000 0.201 0.000 1.069 78 F CB 0.820 39.920 39.000 0.166 0.000 1.124 78 F HN 0.350 nan 8.300 nan 0.000 0.472 79 I N 7.583 127.686 120.570 -0.778 0.000 2.447 79 I HA 0.272 4.415 4.170 -0.044 0.000 0.287 79 I C -1.495 174.092 176.117 -0.883 0.000 1.023 79 I CA -1.059 59.839 61.300 -0.670 0.000 1.083 79 I CB 1.907 39.706 38.000 -0.335 0.000 1.245 79 I HN 0.441 nan 8.210 nan 0.000 0.434 80 L N 6.272 127.077 121.223 -0.697 0.000 2.317 80 L HA 0.545 4.859 4.340 -0.044 0.000 0.281 80 L C 0.036 176.756 176.870 -0.251 0.000 1.024 80 L CA 0.298 54.895 54.840 -0.405 0.000 0.810 80 L CB 1.800 43.736 42.059 -0.206 0.000 1.240 80 L HN 0.468 nan 8.230 nan 0.000 0.427 81 T N 3.095 117.531 114.554 -0.197 0.000 2.934 81 T HA 0.497 4.821 4.350 -0.044 0.000 0.283 81 T C 1.183 175.751 174.700 -0.220 0.000 1.005 81 T CA 0.237 62.232 62.100 -0.174 0.000 1.041 81 T CB 1.655 70.449 68.868 -0.123 0.000 1.042 81 T HN 0.798 nan 8.240 nan 0.000 0.505 82 A N 2.384 125.086 122.820 -0.197 0.000 1.933 82 A HA -0.046 4.247 4.320 -0.044 0.000 0.218 82 A C 1.851 179.162 177.584 -0.454 0.000 1.175 82 A CA 1.405 53.280 52.037 -0.270 0.000 0.628 82 A CB -0.333 18.599 19.000 -0.115 0.000 0.814 82 A HN 0.801 nan 8.150 nan 0.000 0.444 83 K N -1.749 118.523 120.400 -0.212 0.000 2.522 83 K HA 0.145 4.439 4.320 -0.044 0.000 0.194 83 K C -0.858 175.801 176.600 0.099 0.000 1.026 83 K CA 0.169 56.398 56.287 -0.096 0.000 1.119 83 K CB -0.227 32.332 32.500 0.100 0.000 0.856 83 K HN 0.599 nan 8.250 nan 0.000 0.513 84 Y N -1.060 119.277 120.300 0.062 0.000 4.457 84 Y HA -0.244 4.280 4.550 -0.044 0.000 0.240 84 Y C -0.427 175.467 175.900 -0.009 0.000 1.133 84 Y CA -0.273 57.843 58.100 0.026 0.000 2.074 84 Y CB -2.508 35.984 38.460 0.054 0.000 1.625 84 Y HN 0.211 nan 8.280 nan 0.000 0.704 85 N N 1.735 120.463 118.700 0.046 0.000 2.401 85 N HA 0.540 5.254 4.740 -0.044 0.000 0.255 85 N C 0.143 175.621 175.510 -0.053 0.000 1.110 85 N CA 0.620 53.654 53.050 -0.026 0.000 0.949 85 N CB 1.356 39.809 38.487 -0.056 0.000 1.110 85 N HN 0.396 nan 8.380 nan 0.000 0.490 86 A N 1.754 124.569 122.820 -0.009 0.000 2.312 86 A HA 0.694 4.988 4.320 -0.044 0.000 0.326 86 A C 0.129 177.734 177.584 0.035 0.000 1.172 86 A CA -0.620 51.411 52.037 -0.010 0.000 0.821 86 A CB 0.519 19.637 19.000 0.196 0.000 1.166 86 A HN 0.822 nan 8.150 nan 0.000 0.493 87 C N 0.908 120.189 119.300 -0.031 0.000 2.985 87 C HA 0.745 5.178 4.460 -0.044 0.000 0.332 87 C C -0.811 174.292 174.990 0.188 0.000 1.164 87 C CA -0.877 58.197 59.018 0.094 0.000 1.347 87 C CB -0.301 27.458 27.740 0.032 0.000 1.764 87 C HN 0.736 nan 8.230 nan 0.000 0.489 88 I N 2.751 123.490 120.570 0.282 0.000 2.331 88 I HA 0.551 4.695 4.170 -0.044 0.000 0.292 88 I C -0.261 175.977 176.117 0.202 0.000 0.998 88 I CA -0.301 61.203 61.300 0.341 0.000 1.267 88 I CB 1.103 39.334 38.000 0.386 0.000 1.386 88 I HN 0.554 nan 8.210 nan 0.000 0.476 89 L N 5.951 127.289 121.223 0.192 0.000 2.354 89 L HA 0.592 4.905 4.340 -0.044 0.000 0.269 89 L C -0.389 176.628 176.870 0.245 0.000 1.005 89 L CA -0.619 54.325 54.840 0.173 0.000 0.819 89 L CB 2.257 44.409 42.059 0.156 0.000 1.311 89 L HN 0.593 nan 8.230 nan 0.000 0.423 90 E N 1.041 121.339 120.200 0.163 0.000 2.234 90 E HA 0.246 4.570 4.350 -0.044 0.000 0.266 90 E C -1.791 174.770 176.600 -0.065 0.000 0.877 90 E CA -0.750 55.682 56.400 0.053 0.000 0.758 90 E CB 2.146 31.837 29.700 -0.015 0.000 1.170 90 E HN 0.442 nan 8.360 nan 0.000 0.415 91 Y N 3.933 123.908 120.300 -0.541 0.000 2.377 91 Y HA 0.215 4.740 4.550 -0.042 0.000 0.330 91 Y C -0.697 175.012 175.900 -0.318 0.000 1.108 91 Y CA 0.100 57.860 58.100 -0.566 0.000 1.308 91 Y CB 0.586 38.391 38.460 -1.091 0.000 1.216 91 Y HN 0.219 nan 8.280 nan 0.000 0.518 92 K N 6.652 126.625 120.400 -0.710 0.000 2.621 92 K HA 0.153 4.447 4.320 -0.044 0.000 0.233 92 K C -1.296 174.981 176.600 -0.538 0.000 0.972 92 K CA -0.466 55.545 56.287 -0.460 0.000 0.988 92 K CB 1.474 33.812 32.500 -0.270 0.000 1.187 92 K HN 0.787 nan 8.250 nan 0.000 0.471 93 Q N 0.853 120.410 119.800 -0.406 0.000 2.322 93 Q HA 0.207 4.521 4.340 -0.044 0.000 0.256 93 Q C -0.209 175.706 176.000 -0.141 0.000 0.960 93 Q CA 0.002 55.658 55.803 -0.244 0.000 0.934 93 Q CB 0.884 29.609 28.738 -0.022 0.000 1.200 93 Q HN 0.306 nan 8.270 nan 0.000 0.435 94 S N 2.984 118.602 115.700 -0.137 0.000 2.577 94 S HA 0.334 4.778 4.470 -0.044 0.000 0.239 94 S C 0.765 175.319 174.600 -0.077 0.000 1.236 94 S CA 0.427 58.569 58.200 -0.098 0.000 1.233 94 S CB -0.399 62.742 63.200 -0.099 0.000 0.908 94 S HN 1.038 nan 8.310 nan 0.000 0.493 95 G N 2.204 110.963 108.800 -0.068 0.000 5.059 95 G HA2 -0.355 3.579 3.960 -0.044 0.000 0.336 95 G HA3 -0.355 3.579 3.960 -0.044 0.000 0.336 95 G C 1.010 175.866 174.900 -0.073 0.000 1.364 95 G CA 0.700 45.765 45.100 -0.060 0.000 1.020 95 G HN 0.508 nan 8.290 nan 0.000 0.807 96 E N 1.263 121.419 120.200 -0.074 0.000 2.033 96 E HA 0.116 4.440 4.350 -0.044 0.000 0.189 96 E C 1.544 178.089 176.600 -0.091 0.000 0.979 96 E CA 0.983 57.334 56.400 -0.082 0.000 0.802 96 E CB -0.230 29.429 29.700 -0.069 0.000 0.763 96 E HN 0.460 nan 8.360 nan 0.000 0.449 97 S N 0.349 115.995 115.700 -0.090 0.000 2.584 97 S HA 0.358 4.802 4.470 -0.044 0.000 0.273 97 S C 0.363 174.877 174.600 -0.143 0.000 1.311 97 S CA -0.283 57.856 58.200 -0.101 0.000 1.034 97 S CB 0.914 64.058 63.200 -0.093 0.000 0.939 97 S HN 0.083 nan 8.310 nan 0.000 0.513 98 I N 2.338 122.816 120.570 -0.153 0.000 2.436 98 I HA 0.398 4.541 4.170 -0.044 0.000 0.289 98 I C -0.962 175.018 176.117 -0.229 0.000 1.010 98 I CA -0.486 60.668 61.300 -0.244 0.000 1.098 98 I CB 1.760 39.658 38.000 -0.171 0.000 1.266 98 I HN 0.397 nan 8.210 nan 0.000 0.434 99 D N 6.845 127.059 120.400 -0.310 0.000 2.863 99 D HA 0.383 4.997 4.640 -0.044 0.000 0.245 99 D C -0.548 175.605 176.300 -0.245 0.000 1.211 99 D CA -0.275 53.593 54.000 -0.221 0.000 0.888 99 D CB 2.756 43.454 40.800 -0.170 0.000 1.483 99 D HN 0.168 nan 8.370 nan 0.000 0.533 100 I N 3.358 123.844 120.570 -0.140 0.000 2.269 100 I HA 0.234 4.378 4.170 -0.044 0.000 0.293 100 I C 0.680 176.764 176.117 -0.055 0.000 1.106 100 I CA -0.514 60.751 61.300 -0.058 0.000 1.248 100 I CB -0.212 37.812 38.000 0.040 0.000 1.444 100 I HN 0.275 nan 8.210 nan 0.000 0.497 101 I N 5.723 126.255 120.570 -0.064 0.000 2.638 101 I HA 0.103 4.247 4.170 -0.044 0.000 0.286 101 I C 0.590 176.697 176.117 -0.018 0.000 1.088 101 I CA 0.558 61.825 61.300 -0.054 0.000 1.397 101 I CB 1.049 39.009 38.000 -0.066 0.000 1.414 101 I HN 0.461 nan 8.210 nan 0.000 0.566 102 T N 7.381 121.916 114.554 -0.032 0.000 2.762 102 T HA 0.311 4.635 4.350 -0.044 0.000 0.303 102 T C 1.240 175.951 174.700 0.019 0.000 0.977 102 T CA -0.524 61.567 62.100 -0.014 0.000 0.961 102 T CB 0.741 69.560 68.868 -0.083 0.000 0.944 102 T HN 0.466 nan 8.240 nan 0.000 0.481 103 R N 1.936 122.473 120.500 0.061 0.000 2.057 103 R HA 0.223 4.537 4.340 -0.044 0.000 0.229 103 R C 0.907 177.275 176.300 0.114 0.000 1.136 103 R CA 0.594 56.740 56.100 0.077 0.000 0.952 103 R CB -0.114 30.239 30.300 0.088 0.000 0.848 103 R HN 0.651 nan 8.270 nan 0.000 0.430 104 A N 1.194 124.107 122.820 0.154 0.000 2.498 104 A HA 0.608 4.902 4.320 -0.044 0.000 0.298 104 A C -1.099 176.633 177.584 0.247 0.000 1.075 104 A CA -0.676 51.473 52.037 0.186 0.000 0.714 104 A CB 1.565 20.652 19.000 0.145 0.000 1.299 104 A HN 0.518 nan 8.150 nan 0.000 0.407 105 H N -0.444 118.653 119.070 0.044 0.000 3.068 105 H HA 0.758 5.287 4.556 -0.044 0.000 0.342 105 H C -0.674 174.660 175.328 0.009 0.000 1.284 105 H CA -0.378 55.684 56.048 0.024 0.000 1.181 105 H CB 1.221 30.981 29.762 -0.003 0.000 1.898 105 H HN 1.840 nan 8.280 nan 0.000 0.540 106 G N 1.335 110.051 108.800 -0.139 0.000 2.411 106 G HA2 0.117 4.051 3.960 -0.044 0.000 0.295 106 G HA3 0.117 4.051 3.960 -0.044 0.000 0.295 106 G C -1.858 172.994 174.900 -0.079 0.000 1.542 106 G CA -1.003 43.981 45.100 -0.193 0.000 0.814 106 G HN 0.706 nan 8.290 nan 0.000 0.557 107 N N 0.084 118.728 118.700 -0.093 0.000 2.455 107 N HA 0.320 5.034 4.740 -0.044 0.000 0.280 107 N C 0.984 176.492 175.510 -0.003 0.000 1.055 107 N CA -0.028 52.995 53.050 -0.045 0.000 0.961 107 N CB 1.832 40.261 38.487 -0.096 0.000 1.121 107 N HN 0.908 nan 8.380 nan 0.000 0.476 108 V N 0.881 120.825 119.914 0.051 0.000 3.177 108 V HA 0.286 4.379 4.120 -0.044 0.000 0.342 108 V C 0.762 176.834 176.094 -0.036 0.000 1.379 108 V CA -0.497 61.815 62.300 0.019 0.000 1.191 108 V CB -0.733 31.113 31.823 0.038 0.000 1.167 108 V HN 0.549 nan 8.190 nan 0.000 0.471 109 Q N 1.607 121.380 119.800 -0.045 0.000 2.386 109 Q HA 0.102 4.416 4.340 -0.044 0.000 0.282 109 Q C -0.758 175.190 176.000 -0.087 0.000 1.050 109 Q CA 0.637 56.344 55.803 -0.160 0.000 0.918 109 Q CB 0.583 29.309 28.738 -0.020 0.000 1.266 109 Q HN 0.556 nan 8.270 nan 0.000 0.423 110 D N 2.364 122.703 120.400 -0.101 0.000 2.256 110 D HA 0.136 4.750 4.640 -0.044 0.000 0.240 110 D C 0.664 176.832 176.300 -0.221 0.000 1.062 110 D CA -0.471 53.419 54.000 -0.183 0.000 0.832 110 D CB 1.208 41.817 40.800 -0.318 0.000 1.135 110 D HN 0.328 nan 8.370 nan 0.000 0.484 111 R N 1.158 121.584 120.500 -0.124 0.000 2.096 111 R HA -0.062 4.251 4.340 -0.044 0.000 0.240 111 R C 0.521 176.754 176.300 -0.111 0.000 1.139 111 R CA 0.862 56.919 56.100 -0.073 0.000 0.952 111 R CB -0.205 30.075 30.300 -0.035 0.000 0.854 111 R HN 0.392 nan 8.270 nan 0.000 0.436 112 I N -0.604 119.866 120.570 -0.167 0.000 2.433 112 I HA 0.465 4.609 4.170 -0.044 0.000 0.292 112 I C -0.172 175.745 176.117 -0.332 0.000 1.001 112 I CA 0.037 61.229 61.300 -0.180 0.000 1.119 112 I CB 2.079 40.014 38.000 -0.109 0.000 1.289 112 I HN 0.292 nan 8.210 nan 0.000 0.438 113 G N 5.386 113.967 108.800 -0.364 0.000 2.380 113 G HA2 0.235 4.169 3.960 -0.044 0.000 0.305 113 G HA3 0.235 4.169 3.960 -0.044 0.000 0.305 113 G C -1.608 173.126 174.900 -0.277 0.000 1.672 113 G CA -1.081 43.691 45.100 -0.546 0.000 0.904 113 G HN 0.587 nan 8.290 nan 0.000 0.686 114 R N 2.672 123.145 120.500 -0.046 0.000 2.196 114 R HA 0.529 4.842 4.340 -0.044 0.000 0.340 114 R C -2.336 174.129 176.300 0.274 0.000 1.043 114 R CA -1.534 54.625 56.100 0.099 0.000 0.883 114 R CB 0.750 31.078 30.300 0.047 0.000 1.078 114 R HN 0.238 nan 8.270 nan 0.000 0.462 115 P HA 0.012 nan 4.420 nan 0.000 0.268 115 P C -0.702 176.657 177.300 0.098 0.000 1.204 115 P CA 0.156 63.402 63.100 0.243 0.000 0.768 115 P CB 1.091 32.917 31.700 0.211 0.000 0.842 116 S N 1.685 117.411 115.700 0.044 0.000 2.584 116 S HA 0.008 4.452 4.470 -0.044 0.000 0.270 116 S C 1.442 176.022 174.600 -0.034 0.000 1.346 116 S CA -0.322 57.868 58.200 -0.017 0.000 1.018 116 S CB 0.321 63.507 63.200 -0.023 0.000 0.899 116 S HN 0.472 nan 8.310 nan 0.000 0.542 117 E N 0.877 121.021 120.200 -0.093 0.000 2.046 117 E HA -0.115 4.209 4.350 -0.044 0.000 0.190 117 E C 1.909 178.507 176.600 -0.003 0.000 0.982 117 E CA 1.468 57.831 56.400 -0.061 0.000 0.800 117 E CB -0.161 29.476 29.700 -0.106 0.000 0.756 117 E HN 0.839 nan 8.360 nan 0.000 0.449 118 T N -1.408 113.156 114.554 0.018 0.000 3.215 118 T HA 0.256 4.580 4.350 -0.044 0.000 0.254 118 T C 0.919 175.637 174.700 0.029 0.000 1.149 118 T CA 0.176 62.303 62.100 0.044 0.000 1.042 118 T CB -0.192 68.722 68.868 0.075 0.000 0.966 118 T HN 0.304 nan 8.240 nan 0.000 0.534 119 G N 1.554 110.363 108.800 0.015 0.000 2.877 119 G HA2 -0.184 3.750 3.960 -0.044 0.000 0.279 119 G HA3 -0.184 3.750 3.960 -0.044 0.000 0.279 119 G C -0.331 174.571 174.900 0.004 0.000 1.431 119 G CA -0.581 44.526 45.100 0.011 0.000 0.883 119 G HN 0.685 nan 8.290 nan 0.000 0.547 120 I N 0.296 120.861 120.570 -0.008 0.000 2.906 120 I HA 0.058 4.202 4.170 -0.044 0.000 0.301 120 I C 0.890 177.011 176.117 0.007 0.000 1.221 120 I CA 0.959 62.250 61.300 -0.015 0.000 1.435 120 I CB -0.083 37.895 38.000 -0.037 0.000 1.345 120 I HN 0.325 nan 8.210 nan 0.000 0.558 121 I N 5.834 126.414 120.570 0.016 0.000 2.466 121 I HA 0.461 4.605 4.170 -0.044 0.000 0.289 121 I C 0.335 176.484 176.117 0.054 0.000 1.026 121 I CA -0.422 60.904 61.300 0.044 0.000 1.078 121 I CB 1.943 39.978 38.000 0.059 0.000 1.249 121 I HN 0.604 nan 8.210 nan 0.000 0.429 122 G N 7.520 116.373 108.800 0.089 0.000 2.557 122 G HA2 0.775 4.709 3.960 -0.044 0.000 0.310 122 G HA3 0.775 4.709 3.960 -0.044 0.000 0.310 122 G C -0.827 174.151 174.900 0.131 0.000 1.328 122 G CA -0.436 44.739 45.100 0.124 0.000 0.945 122 G HN 0.623 nan 8.290 nan 0.000 0.494 123 I N -0.506 120.136 120.570 0.121 0.000 2.785 123 I HA 0.739 4.883 4.170 -0.044 0.000 0.302 123 I C -1.030 175.211 176.117 0.207 0.000 1.069 123 I CA -1.546 59.874 61.300 0.199 0.000 1.045 123 I CB 2.658 40.801 38.000 0.240 0.000 1.236 123 I HN 0.220 nan 8.210 nan 0.000 0.429 124 I N 3.620 124.276 120.570 0.143 0.000 2.498 124 I HA 0.263 4.407 4.170 -0.044 0.000 0.290 124 I C -0.639 175.341 176.117 -0.228 0.000 1.032 124 I CA -0.710 60.514 61.300 -0.126 0.000 1.073 124 I CB 1.919 39.770 38.000 -0.249 0.000 1.251 124 I HN 0.680 nan 8.210 nan 0.000 0.426 125 D N 6.570 126.476 120.400 -0.824 0.000 2.382 125 D HA 0.095 4.709 4.640 -0.044 0.000 0.240 125 D C -2.100 173.985 176.300 -0.359 0.000 1.146 125 D CA -1.537 51.934 54.000 -0.881 0.000 0.897 125 D CB 0.975 41.009 40.800 -1.277 0.000 1.197 125 D HN 0.174 nan 8.370 nan 0.000 0.432 126 P HA -0.157 nan 4.420 nan 0.000 0.216 126 P C 0.790 178.094 177.300 0.007 0.000 1.150 126 P CA 1.432 64.505 63.100 -0.045 0.000 0.843 126 P CB 0.159 31.867 31.700 0.013 0.000 0.787 127 E N -2.568 117.596 120.200 -0.059 0.000 2.478 127 E HA 0.062 4.386 4.350 -0.044 0.000 0.194 127 E C 0.116 176.698 176.600 -0.030 0.000 1.045 127 E CA 0.063 56.451 56.400 -0.020 0.000 0.868 127 E CB -0.235 29.450 29.700 -0.025 0.000 0.885 127 E HN 0.096 nan 8.360 nan 0.000 0.505 128 C N 0.655 119.901 119.300 -0.089 0.000 4.507 128 C HA -0.168 4.266 4.460 -0.044 0.000 0.285 128 C C 1.576 176.501 174.990 -0.109 0.000 1.335 128 C CA 0.281 59.251 59.018 -0.081 0.000 1.953 128 C CB -2.403 25.400 27.740 0.106 0.000 1.262 128 C HN 0.507 nan 8.230 nan 0.000 0.776 129 R N 0.269 120.678 120.500 -0.152 0.000 2.153 129 R HA 0.108 4.422 4.340 -0.044 0.000 0.218 129 R C 0.863 177.077 176.300 -0.144 0.000 1.072 129 R CA 1.554 57.586 56.100 -0.113 0.000 0.990 129 R CB 0.057 30.301 30.300 -0.093 0.000 0.889 129 R HN 0.852 nan 8.270 nan 0.000 0.452 130 M N -1.476 117.977 119.600 -0.245 0.000 2.682 130 M HA 0.401 4.855 4.480 -0.044 0.000 0.272 130 M C -1.683 174.407 176.300 -0.350 0.000 1.232 130 M CA -0.799 54.354 55.300 -0.245 0.000 0.849 130 M CB 2.008 34.527 32.600 -0.135 0.000 1.695 130 M HN -0.226 nan 8.290 nan 0.000 0.481 131 I N 1.454 121.807 120.570 -0.362 0.000 2.354 131 I HA 0.623 4.766 4.170 -0.044 0.000 0.292 131 I C 0.314 176.278 176.117 -0.256 0.000 0.989 131 I CA -0.623 60.430 61.300 -0.412 0.000 1.188 131 I CB 2.004 39.548 38.000 -0.760 0.000 1.342 131 I HN 0.881 nan 8.210 nan 0.000 0.457 132 G N 6.751 115.520 108.800 -0.051 0.000 2.343 132 G HA2 0.646 4.580 3.960 -0.044 0.000 0.319 132 G HA3 0.646 4.580 3.960 -0.044 0.000 0.319 132 G C -1.160 173.529 174.900 -0.353 0.000 1.126 132 G CA -0.311 44.648 45.100 -0.235 0.000 0.889 132 G HN 0.263 nan 8.290 nan 0.000 0.457 133 L N 2.694 123.527 121.223 -0.650 0.000 2.342 133 L HA 0.465 4.778 4.340 -0.044 0.000 0.276 133 L C 0.076 176.721 176.870 -0.374 0.000 0.997 133 L CA -1.011 53.615 54.840 -0.357 0.000 0.838 133 L CB 1.698 43.615 42.059 -0.236 0.000 1.224 133 L HN 0.421 nan 8.230 nan 0.000 0.416 134 R N 4.379 124.805 120.500 -0.124 0.000 2.296 134 R HA 0.368 4.682 4.340 -0.044 0.000 0.327 134 R C 0.069 176.312 176.300 -0.095 0.000 1.137 134 R CA 0.057 56.145 56.100 -0.020 0.000 1.020 134 R CB 0.195 30.548 30.300 0.089 0.000 1.110 134 R HN 0.761 nan 8.270 nan 0.000 0.499 135 L N 3.619 124.715 121.223 -0.211 0.000 2.433 135 L HA 0.260 4.574 4.340 -0.044 0.000 0.200 135 L C -0.072 176.450 176.870 -0.580 0.000 1.059 135 L CA 0.371 54.932 54.840 -0.465 0.000 0.835 135 L CB 0.068 41.641 42.059 -0.811 0.000 1.076 135 L HN 0.391 nan 8.230 nan 0.000 0.481 136 Y N -0.640 119.666 120.300 0.009 0.000 2.524 136 Y HA 0.315 4.840 4.550 -0.043 0.000 0.344 136 Y C -0.323 175.578 175.900 0.001 0.000 1.012 136 Y CA -1.657 56.443 58.100 0.000 0.000 1.068 136 Y CB 0.912 39.357 38.460 -0.026 0.000 1.249 136 Y HN -0.121 nan 8.280 nan 0.000 0.468 137 D N 0.958 121.446 120.400 0.148 0.000 2.488 137 D HA 0.208 4.822 4.640 -0.044 0.000 0.238 137 D C 1.177 177.528 176.300 0.085 0.000 1.138 137 D CA 1.866 55.912 54.000 0.077 0.000 0.873 137 D CB 0.879 41.705 40.800 0.042 0.000 1.183 137 D HN 0.914 nan 8.370 nan 0.000 0.458 138 G N 1.295 110.134 108.800 0.064 0.000 2.184 138 G HA2 -0.261 3.673 3.960 -0.044 0.000 0.264 138 G HA3 -0.261 3.673 3.960 -0.044 0.000 0.264 138 G C 0.123 175.072 174.900 0.082 0.000 0.975 138 G CA 0.191 45.328 45.100 0.061 0.000 0.642 138 G HN 0.450 nan 8.290 nan 0.000 0.536 139 L N -0.970 120.319 121.223 0.111 0.000 2.408 139 L HA 0.731 5.045 4.340 -0.044 0.000 0.268 139 L C -0.931 176.041 176.870 0.171 0.000 0.986 139 L CA -1.157 53.758 54.840 0.126 0.000 0.820 139 L CB 2.068 44.196 42.059 0.115 0.000 1.303 139 L HN 0.053 nan 8.230 nan 0.000 0.411 140 F N 3.475 123.417 119.950 -0.014 0.000 2.427 140 F HA 0.423 4.924 4.527 -0.044 0.000 0.348 140 F C -0.036 175.686 175.800 -0.130 0.000 1.125 140 F CA -0.725 57.250 58.000 -0.042 0.000 0.989 140 F CB 1.282 40.327 39.000 0.075 0.000 1.165 140 F HN 0.307 nan 8.300 nan 0.000 0.442 141 K N 5.698 125.756 120.400 -0.571 0.000 2.258 141 K HA 0.620 4.914 4.320 -0.044 0.000 0.284 141 K C -1.649 174.477 176.600 -0.791 0.000 1.051 141 K CA -0.459 55.501 56.287 -0.544 0.000 0.923 141 K CB 1.019 33.315 32.500 -0.339 0.000 1.046 141 K HN 0.519 nan 8.250 nan 0.000 0.474 142 V N 6.712 126.123 119.914 -0.839 0.000 2.409 142 V HA 0.366 4.460 4.120 -0.044 0.000 0.291 142 V C -0.222 175.465 176.094 -0.679 0.000 1.020 142 V CA -0.782 61.025 62.300 -0.822 0.000 0.848 142 V CB 1.370 32.595 31.823 -0.996 0.000 0.990 142 V HN 0.701 nan 8.190 nan 0.000 0.430 143 I N 7.186 127.512 120.570 -0.407 0.000 2.328 143 I HA 0.364 4.508 4.170 -0.044 0.000 0.287 143 I C -2.473 173.533 176.117 -0.185 0.000 1.012 143 I CA -1.963 59.184 61.300 -0.255 0.000 1.195 143 I CB 1.845 39.707 38.000 -0.229 0.000 1.350 143 I HN 0.388 nan 8.210 nan 0.000 0.464 144 P HA 0.188 nan 4.420 nan 0.000 0.275 144 P C -0.161 177.110 177.300 -0.047 0.000 1.228 144 P CA -0.225 62.863 63.100 -0.020 0.000 0.786 144 P CB 0.785 32.533 31.700 0.080 0.000 0.927 145 L N 2.179 123.368 121.223 -0.056 0.000 3.084 145 L HA 0.201 4.515 4.340 -0.044 0.000 0.238 145 L C 0.305 177.179 176.870 0.008 0.000 1.327 145 L CA -0.310 54.507 54.840 -0.038 0.000 1.094 145 L CB -0.449 41.565 42.059 -0.074 0.000 1.477 145 L HN 0.287 nan 8.230 nan 0.000 0.514 146 D N -0.135 120.272 120.400 0.012 0.000 2.360 146 D HA 0.058 4.672 4.640 -0.044 0.000 0.242 146 D C 1.013 177.330 176.300 0.029 0.000 1.184 146 D CA -0.525 53.487 54.000 0.020 0.000 0.930 146 D CB 1.237 42.047 40.800 0.017 0.000 1.161 146 D HN 0.075 nan 8.370 nan 0.000 0.447 147 R N 0.416 120.934 120.500 0.029 0.000 2.103 147 R HA -0.148 4.165 4.340 -0.044 0.000 0.242 147 R C 1.094 177.412 176.300 0.030 0.000 1.142 147 R CA 1.402 57.522 56.100 0.032 0.000 0.960 147 R CB -0.219 30.096 30.300 0.025 0.000 0.858 147 R HN 0.520 nan 8.270 nan 0.000 0.439 148 D N 0.086 120.500 120.400 0.023 0.000 2.183 148 D HA -0.106 4.507 4.640 -0.044 0.000 0.203 148 D C 0.773 177.086 176.300 0.021 0.000 0.969 148 D CA 0.652 54.664 54.000 0.020 0.000 0.842 148 D CB -0.540 40.268 40.800 0.013 0.000 0.957 148 D HN 0.017 nan 8.370 nan 0.000 0.484 149 N N 1.438 120.151 118.700 0.022 0.000 3.117 149 N HA -0.045 4.669 4.740 -0.044 0.000 0.323 149 N C 0.496 176.021 175.510 0.025 0.000 1.245 149 N CA 0.141 53.202 53.050 0.017 0.000 1.191 149 N CB -0.213 38.282 38.487 0.012 0.000 1.451 149 N HN 0.104 nan 8.380 nan 0.000 0.555 150 K N -0.136 120.280 120.400 0.028 0.000 2.487 150 K HA 0.045 4.338 4.320 -0.044 0.000 0.192 150 K C 0.327 176.939 176.600 0.021 0.000 1.027 150 K CA 0.552 56.867 56.287 0.046 0.000 1.054 150 K CB 0.489 33.022 32.500 0.055 0.000 0.824 150 K HN 0.454 nan 8.250 nan 0.000 0.510 151 E N 0.584 120.771 120.200 -0.023 0.000 2.481 151 E HA 0.124 4.448 4.350 -0.044 0.000 0.198 151 E C -0.163 176.392 176.600 -0.075 0.000 1.027 151 E CA -0.108 56.235 56.400 -0.095 0.000 0.900 151 E CB 0.191 29.836 29.700 -0.092 0.000 0.993 151 E HN 0.128 nan 8.360 nan 0.000 0.482 152 L N 1.666 122.875 121.223 -0.024 0.000 3.678 152 L HA -0.276 4.038 4.340 -0.044 0.000 0.425 152 L C -0.218 176.634 176.870 -0.030 0.000 1.240 152 L CA 0.631 55.463 54.840 -0.013 0.000 0.876 152 L CB -1.507 40.567 42.059 0.024 0.000 1.766 152 L HN 0.111 nan 8.230 nan 0.000 0.917 153 K N 0.462 120.847 120.400 -0.025 0.000 2.414 153 K HA 0.572 4.865 4.320 -0.044 0.000 0.272 153 K C 0.514 177.109 176.600 -0.009 0.000 0.993 153 K CA 0.518 56.796 56.287 -0.015 0.000 0.964 153 K CB 0.902 33.402 32.500 -0.001 0.000 0.925 153 K HN 0.352 nan 8.250 nan 0.000 0.487 154 A N 2.132 124.947 122.820 -0.009 0.000 2.532 154 A HA 0.790 5.084 4.320 -0.044 0.000 0.290 154 A C -1.337 176.274 177.584 0.045 0.000 1.143 154 A CA -0.870 51.134 52.037 -0.056 0.000 0.728 154 A CB 0.855 19.766 19.000 -0.148 0.000 1.317 154 A HN 0.649 nan 8.150 nan 0.000 0.414 155 F N -0.500 119.399 119.950 -0.084 0.000 2.588 155 F HA 0.722 5.223 4.527 -0.044 0.000 0.314 155 F C -0.713 175.028 175.800 -0.098 0.000 1.069 155 F CA -1.246 56.704 58.000 -0.083 0.000 0.931 155 F CB 1.453 40.404 39.000 -0.081 0.000 1.260 155 F HN 0.337 nan 8.300 nan 0.000 0.465 156 N N 2.547 121.290 118.700 0.073 0.000 2.421 156 N HA 0.510 5.224 4.740 -0.044 0.000 0.285 156 N C -0.945 174.604 175.510 0.065 0.000 1.027 156 N CA -0.307 52.739 53.050 -0.007 0.000 0.918 156 N CB 2.066 40.556 38.487 0.005 0.000 1.152 156 N HN 0.629 nan 8.380 nan 0.000 0.485 157 I N 1.703 122.262 120.570 -0.019 0.000 2.392 157 I HA 0.351 4.495 4.170 -0.044 0.000 0.295 157 I C 0.767 176.860 176.117 -0.041 0.000 0.985 157 I CA -0.779 60.445 61.300 -0.127 0.000 1.221 157 I CB 1.480 39.137 38.000 -0.571 0.000 1.366 157 I HN 0.143 nan 8.210 nan 0.000 0.467 158 R N 4.861 125.348 120.500 -0.021 0.000 2.543 158 R HA 0.461 4.774 4.340 -0.044 0.000 0.277 158 R C -0.787 175.601 176.300 0.147 0.000 1.074 158 R CA -0.228 55.904 56.100 0.053 0.000 1.076 158 R CB 0.727 31.044 30.300 0.028 0.000 0.993 158 R HN 0.501 nan 8.270 nan 0.000 0.459 159 L N 3.148 124.453 121.223 0.137 0.000 2.388 159 L HA 0.183 4.496 4.340 -0.044 0.000 0.267 159 L C 0.400 177.296 176.870 0.044 0.000 0.995 159 L CA -0.207 54.701 54.840 0.114 0.000 0.864 159 L CB 1.412 43.515 42.059 0.072 0.000 1.216 159 L HN 0.764 nan 8.230 nan 0.000 0.430 160 E N 1.433 121.659 120.200 0.043 0.000 2.160 160 E HA -0.186 4.138 4.350 -0.044 0.000 0.195 160 E C -0.202 176.401 176.600 0.005 0.000 0.991 160 E CA 1.059 57.477 56.400 0.029 0.000 0.810 160 E CB 0.235 29.955 29.700 0.033 0.000 0.742 160 E HN 0.528 nan 8.360 nan 0.000 0.466 161 E N 0.528 120.702 120.200 -0.044 0.000 2.238 161 E HA -0.022 4.302 4.350 -0.044 0.000 0.264 161 E C 0.486 177.094 176.600 0.014 0.000 1.136 161 E CA 0.072 56.419 56.400 -0.088 0.000 0.929 161 E CB 0.474 30.008 29.700 -0.277 0.000 1.010 161 E HN 0.185 nan 8.360 nan 0.000 0.440 162 L N 1.955 123.233 121.223 0.091 0.000 2.209 162 L HA -0.008 4.306 4.340 -0.044 0.000 0.207 162 L C 1.058 178.010 176.870 0.138 0.000 1.094 162 L CA 0.570 55.469 54.840 0.098 0.000 0.790 162 L CB 0.106 42.224 42.059 0.097 0.000 0.932 162 L HN 0.569 nan 8.230 nan 0.000 0.447 163 H N 0.926 120.070 119.070 0.125 0.000 2.572 163 H HA 0.329 4.859 4.556 -0.044 0.000 0.248 163 H C -1.106 174.326 175.328 0.173 0.000 1.397 163 H CA -0.465 55.661 56.048 0.130 0.000 1.319 163 H CB 0.358 30.197 29.762 0.128 0.000 1.452 163 H HN -0.239 nan 8.280 nan 0.000 0.535 164 V N 6.379 126.465 119.914 0.287 0.000 2.461 164 V HA 0.018 4.112 4.120 -0.044 0.000 0.275 164 V C 1.376 177.623 176.094 0.254 0.000 1.047 164 V CA -0.327 62.127 62.300 0.256 0.000 0.955 164 V CB 1.147 32.986 31.823 0.028 0.000 0.988 164 V HN 0.593 nan 8.190 nan 0.000 0.471 165 I N 2.299 123.019 120.570 0.250 0.000 2.260 165 I HA 0.169 4.313 4.170 -0.044 0.000 0.237 165 I C 0.709 176.905 176.117 0.133 0.000 1.075 165 I CA 1.259 62.665 61.300 0.176 0.000 1.376 165 I CB -0.325 37.742 38.000 0.113 0.000 1.107 165 I HN 0.668 nan 8.210 nan 0.000 0.420 166 D N -0.580 119.902 120.400 0.136 0.000 2.753 166 D HA 0.535 5.149 4.640 -0.044 0.000 0.224 166 D C -1.261 175.114 176.300 0.125 0.000 1.213 166 D CA -0.185 53.883 54.000 0.113 0.000 0.833 166 D CB 2.543 43.402 40.800 0.100 0.000 1.607 166 D HN -0.171 nan 8.370 nan 0.000 0.463 167 V N 2.126 122.095 119.914 0.091 0.000 2.789 167 V HA 0.695 4.789 4.120 -0.044 0.000 0.311 167 V C -0.407 175.698 176.094 0.018 0.000 1.073 167 V CA -0.903 61.430 62.300 0.055 0.000 0.921 167 V CB 2.019 33.834 31.823 -0.013 0.000 1.009 167 V HN 0.407 nan 8.190 nan 0.000 0.426 168 K N 2.024 122.405 120.400 -0.031 0.000 2.477 168 K HA 0.603 4.897 4.320 -0.044 0.000 0.255 168 K C -1.331 175.193 176.600 -0.127 0.000 0.952 168 K CA -0.564 55.709 56.287 -0.023 0.000 0.826 168 K CB 2.826 35.357 32.500 0.051 0.000 1.331 168 K HN 0.549 nan 8.250 nan 0.000 0.437 169 F N 1.831 121.757 119.950 -0.041 0.000 2.456 169 F HA 0.209 4.709 4.527 -0.045 0.000 0.358 169 F C 1.077 176.764 175.800 -0.188 0.000 1.095 169 F CA -0.404 57.533 58.000 -0.104 0.000 1.216 169 F CB 0.513 39.445 39.000 -0.113 0.000 1.125 169 F HN 0.124 nan 8.300 nan 0.000 0.549 170 L N 3.699 124.938 121.223 0.027 0.000 2.466 170 L HA 0.221 4.534 4.340 -0.044 0.000 0.257 170 L C -0.532 176.304 176.870 -0.057 0.000 1.189 170 L CA -0.492 54.340 54.840 -0.013 0.000 0.813 170 L CB 0.531 42.562 42.059 -0.047 0.000 1.118 170 L HN 0.503 nan 8.230 nan 0.000 0.471 171 Y N -0.871 119.527 120.300 0.163 0.000 2.403 171 Y HA 0.399 4.927 4.550 -0.037 0.000 0.323 171 Y C 1.092 177.083 175.900 0.152 0.000 1.226 171 Y CA 0.008 58.201 58.100 0.155 0.000 1.235 171 Y CB 1.583 40.145 38.460 0.170 0.000 1.248 171 Y HN 0.720 nan 8.280 nan 0.000 0.489 172 G N 0.677 109.667 108.800 0.317 0.000 2.323 172 G HA2 -0.271 3.663 3.960 -0.044 0.000 0.292 172 G HA3 -0.271 3.663 3.960 -0.044 0.000 0.292 172 G C -0.580 174.424 174.900 0.174 0.000 1.040 172 G CA -0.023 45.206 45.100 0.215 0.000 0.942 172 G HN 0.615 nan 8.290 nan 0.000 0.506 173 C N -0.899 118.485 119.300 0.140 0.000 2.397 173 C HA 0.509 4.943 4.460 -0.044 0.000 0.343 173 C C 1.847 176.886 174.990 0.083 0.000 1.188 173 C CA -0.446 58.635 59.018 0.105 0.000 1.992 173 C CB 1.777 29.561 27.740 0.073 0.000 2.358 173 C HN 0.712 nan 8.230 nan 0.000 0.518 174 Q N 0.876 120.720 119.800 0.074 0.000 2.172 174 Q HA 0.077 4.391 4.340 -0.044 0.000 0.200 174 Q C 0.639 176.672 176.000 0.054 0.000 0.964 174 Q CA 1.224 57.064 55.803 0.062 0.000 0.855 174 Q CB 0.089 28.862 28.738 0.059 0.000 0.918 174 Q HN 0.840 nan 8.270 nan 0.000 0.444 175 A N 0.623 123.477 122.820 0.057 0.000 2.430 175 A HA 0.589 4.883 4.320 -0.044 0.000 0.300 175 A C -2.632 174.995 177.584 0.071 0.000 1.124 175 A CA -1.861 50.213 52.037 0.060 0.000 0.766 175 A CB 0.769 19.810 19.000 0.068 0.000 1.328 175 A HN -0.154 nan 8.150 nan 0.000 0.424 176 P HA 0.295 nan 4.420 nan 0.000 0.267 176 P C -0.707 176.733 177.300 0.233 0.000 1.205 176 P CA 0.619 63.797 63.100 0.129 0.000 0.765 176 P CB 0.668 32.423 31.700 0.092 0.000 0.828 177 T N 4.033 118.742 114.554 0.259 0.000 2.937 177 T HA 0.526 4.850 4.350 -0.044 0.000 0.297 177 T C 0.167 174.869 174.700 0.003 0.000 0.991 177 T CA -0.526 61.629 62.100 0.092 0.000 0.990 177 T CB 0.358 69.185 68.868 -0.068 0.000 0.991 177 T HN 0.263 nan 8.240 nan 0.000 0.440 178 I N 0.142 120.615 120.570 -0.163 0.000 2.396 178 I HA 0.765 4.909 4.170 -0.044 0.000 0.292 178 I C -0.044 175.907 176.117 -0.277 0.000 0.999 178 I CA -0.684 60.398 61.300 -0.364 0.000 1.310 178 I CB 0.905 38.569 38.000 -0.560 0.000 1.404 178 I HN 0.650 nan 8.210 nan 0.000 0.496 179 C N 8.467 127.617 119.300 -0.251 0.000 2.322 179 C HA 0.800 5.234 4.460 -0.044 0.000 0.324 179 C C -0.439 174.485 174.990 -0.111 0.000 1.249 179 C CA -0.673 58.167 59.018 -0.297 0.000 1.453 179 C CB -0.235 27.282 27.740 -0.372 0.000 2.145 179 C HN 0.810 nan 8.230 nan 0.000 0.466 180 F N 4.241 124.053 119.950 -0.230 0.000 2.588 180 F HA 0.838 5.339 4.527 -0.044 0.000 0.314 180 F C -1.011 174.767 175.800 -0.036 0.000 1.069 180 F CA -1.215 56.710 58.000 -0.125 0.000 0.931 180 F CB 0.967 39.891 39.000 -0.128 0.000 1.260 180 F HN 0.249 nan 8.300 nan 0.000 0.465 181 V N 3.382 123.382 119.914 0.143 0.000 2.439 181 V HA 0.388 4.481 4.120 -0.044 0.000 0.282 181 V C -0.674 175.607 176.094 0.311 0.000 1.039 181 V CA -0.565 61.779 62.300 0.073 0.000 0.913 181 V CB 0.758 32.574 31.823 -0.012 0.000 0.983 181 V HN 0.853 nan 8.190 nan 0.000 0.460 182 Y N 2.170 122.554 120.300 0.140 0.000 2.602 182 Y HA 0.794 5.318 4.550 -0.044 0.000 0.342 182 Y C -0.502 175.451 175.900 0.089 0.000 1.029 182 Y CA -1.241 56.983 58.100 0.206 0.000 1.080 182 Y CB 1.666 40.336 38.460 0.349 0.000 1.284 182 Y HN 0.517 nan 8.280 nan 0.000 0.485 183 Q N 1.810 121.683 119.800 0.122 0.000 2.353 183 Q HA 0.492 4.806 4.340 -0.044 0.000 0.268 183 Q C -1.981 174.076 176.000 0.094 0.000 1.045 183 Q CA -0.768 54.983 55.803 -0.087 0.000 0.811 183 Q CB 2.074 30.619 28.738 -0.322 0.000 1.305 183 Q HN 0.940 nan 8.270 nan 0.000 0.447 184 D N 1.954 122.397 120.400 0.073 0.000 2.664 184 D HA 0.380 4.993 4.640 -0.044 0.000 0.292 184 D C -2.303 174.039 176.300 0.069 0.000 1.214 184 D CA -1.542 52.540 54.000 0.136 0.000 0.932 184 D CB 0.404 41.353 40.800 0.248 0.000 1.420 184 D HN 0.193 nan 8.370 nan 0.000 0.471 185 P HA -0.160 nan 4.420 nan 0.000 0.218 185 P C 0.425 177.749 177.300 0.041 0.000 1.147 185 P CA 1.577 64.706 63.100 0.048 0.000 0.827 185 P CB 0.094 31.826 31.700 0.054 0.000 0.778 186 Q N -1.152 118.699 119.800 0.084 0.000 2.228 186 Q HA 0.379 4.693 4.340 -0.044 0.000 0.211 186 Q C 1.127 177.128 176.000 0.002 0.000 0.890 186 Q CA 0.474 56.328 55.803 0.085 0.000 0.953 186 Q CB -0.221 28.609 28.738 0.154 0.000 1.053 186 Q HN 0.189 nan 8.270 nan 0.000 0.471 187 G N 1.220 109.967 108.800 -0.089 0.000 2.481 187 G HA2 -0.252 3.682 3.960 -0.044 0.000 0.230 187 G HA3 -0.252 3.682 3.960 -0.044 0.000 0.230 187 G C -0.885 173.731 174.900 -0.473 0.000 1.210 187 G CA -0.455 44.496 45.100 -0.248 0.000 0.936 187 G HN 0.397 nan 8.290 nan 0.000 0.583 188 R N -0.049 120.027 120.500 -0.705 0.000 2.795 188 R HA 0.840 5.153 4.340 -0.044 0.000 0.275 188 R C -0.710 174.941 176.300 -1.082 0.000 0.981 188 R CA -1.080 54.521 56.100 -0.832 0.000 0.917 188 R CB 1.895 31.945 30.300 -0.417 0.000 1.202 188 R HN 0.823 nan 8.270 nan 0.000 0.469 189 H N -0.089 118.608 119.070 -0.622 0.000 2.977 189 H HA 0.486 5.015 4.556 -0.044 0.000 0.350 189 H C -1.264 173.782 175.328 -0.469 0.000 1.238 189 H CA -1.046 54.664 56.048 -0.562 0.000 1.124 189 H CB 2.471 31.834 29.762 -0.665 0.000 1.866 189 H HN 0.345 nan 8.280 nan 0.000 0.550 190 V N 1.691 121.487 119.914 -0.197 0.000 2.487 190 V HA 0.385 4.478 4.120 -0.044 0.000 0.298 190 V C -0.804 175.117 176.094 -0.288 0.000 1.028 190 V CA -0.440 61.703 62.300 -0.263 0.000 0.860 190 V CB 1.311 32.941 31.823 -0.322 0.000 0.991 190 V HN 0.545 nan 8.190 nan 0.000 0.427 191 K N 3.091 123.134 120.400 -0.594 0.000 2.400 191 K HA 0.713 5.007 4.320 -0.044 0.000 0.246 191 K C -0.687 175.394 176.600 -0.865 0.000 0.995 191 K CA -0.453 55.370 56.287 -0.775 0.000 0.840 191 K CB 2.447 34.239 32.500 -1.180 0.000 1.293 191 K HN 0.857 nan 8.250 nan 0.000 0.445 192 T N -1.399 112.710 114.554 -0.743 0.000 2.876 192 T HA 0.649 4.972 4.350 -0.044 0.000 0.289 192 T C -0.754 173.581 174.700 -0.608 0.000 1.014 192 T CA -0.677 61.030 62.100 -0.655 0.000 0.986 192 T CB 0.914 69.383 68.868 -0.664 0.000 1.021 192 T HN 0.449 nan 8.240 nan 0.000 0.458 193 Y N 0.015 120.123 120.300 -0.319 0.000 2.457 193 Y HA 0.410 4.934 4.550 -0.043 0.000 0.343 193 Y C 0.278 176.099 175.900 -0.131 0.000 0.994 193 Y CA -1.246 56.685 58.100 -0.282 0.000 1.031 193 Y CB 2.265 40.340 38.460 -0.642 0.000 1.246 193 Y HN 0.654 nan 8.280 nan 0.000 0.449 194 E N 2.324 122.634 120.200 0.183 0.000 2.283 194 E HA 0.352 4.675 4.350 -0.044 0.000 0.278 194 E C -1.124 175.656 176.600 0.300 0.000 1.027 194 E CA -0.650 55.859 56.400 0.182 0.000 0.843 194 E CB 1.984 31.761 29.700 0.127 0.000 1.062 194 E HN 0.212 nan 8.360 nan 0.000 0.401 195 V N 2.430 122.524 119.914 0.300 0.000 2.370 195 V HA 0.144 4.238 4.120 -0.044 0.000 0.279 195 V C 0.087 176.301 176.094 0.200 0.000 1.029 195 V CA -0.461 62.027 62.300 0.313 0.000 0.870 195 V CB 1.438 33.506 31.823 0.408 0.000 0.984 195 V HN 0.552 nan 8.190 nan 0.000 0.451 196 S N 5.058 120.842 115.700 0.141 0.000 2.448 196 S HA 0.379 4.823 4.470 -0.044 0.000 0.320 196 S C 0.921 175.565 174.600 0.073 0.000 1.071 196 S CA -0.724 57.525 58.200 0.082 0.000 1.113 196 S CB 0.628 63.849 63.200 0.036 0.000 0.972 196 S HN 0.539 nan 8.310 nan 0.000 0.465 197 L N 5.196 126.467 121.223 0.079 0.000 2.046 197 L HA 0.049 4.362 4.340 -0.044 0.000 0.208 197 L C 2.559 179.380 176.870 -0.082 0.000 1.077 197 L CA 1.667 56.543 54.840 0.060 0.000 0.747 197 L CB -1.281 40.819 42.059 0.068 0.000 0.896 197 L HN 0.716 nan 8.230 nan 0.000 0.432 198 R N 0.014 120.479 120.500 -0.059 0.000 2.062 198 R HA -0.152 4.162 4.340 -0.044 0.000 0.231 198 R C 2.100 178.323 176.300 -0.129 0.000 1.136 198 R CA 1.489 57.538 56.100 -0.084 0.000 0.948 198 R CB 0.041 30.314 30.300 -0.045 0.000 0.845 198 R HN 0.408 nan 8.270 nan 0.000 0.430 199 E N 0.230 120.366 120.200 -0.107 0.000 2.274 199 E HA -0.083 4.240 4.350 -0.044 0.000 0.194 199 E C -0.129 176.349 176.600 -0.203 0.000 0.996 199 E CA 0.353 56.681 56.400 -0.120 0.000 0.840 199 E CB 0.229 29.887 29.700 -0.070 0.000 0.772 199 E HN 0.172 nan 8.360 nan 0.000 0.491 200 K N 0.806 121.033 120.400 -0.288 0.000 3.096 200 K HA -0.220 4.074 4.320 -0.044 0.000 0.266 200 K C -0.416 176.066 176.600 -0.197 0.000 1.043 200 K CA 0.489 56.480 56.287 -0.493 0.000 0.758 200 K CB -0.940 31.013 32.500 -0.912 0.000 1.260 200 K HN 0.079 nan 8.250 nan 0.000 0.481 201 E N -0.862 119.260 120.200 -0.131 0.000 2.456 201 E HA 0.600 4.924 4.350 -0.044 0.000 0.276 201 E C -0.940 175.537 176.600 -0.204 0.000 0.981 201 E CA -0.756 55.544 56.400 -0.166 0.000 0.814 201 E CB 1.055 30.700 29.700 -0.092 0.000 1.382 201 E HN 0.102 nan 8.360 nan 0.000 0.459 202 F N 1.131 121.020 119.950 -0.102 0.000 2.377 202 F HA 0.500 5.001 4.527 -0.044 0.000 0.328 202 F C 0.615 176.349 175.800 -0.109 0.000 1.094 202 F CA -0.552 57.334 58.000 -0.190 0.000 1.093 202 F CB 1.113 39.771 39.000 -0.570 0.000 1.214 202 F HN 0.210 nan 8.300 nan 0.000 0.518 203 N N 0.985 119.808 118.700 0.205 0.000 2.321 203 N HA 0.177 4.891 4.740 -0.044 0.000 0.290 203 N C -1.212 174.405 175.510 0.178 0.000 1.212 203 N CA -0.972 52.163 53.050 0.141 0.000 0.767 203 N CB 2.035 40.585 38.487 0.105 0.000 1.494 203 N HN 0.460 nan 8.380 nan 0.000 0.479 204 K N 0.260 120.743 120.400 0.138 0.000 2.530 204 K HA 0.040 4.334 4.320 -0.044 0.000 0.280 204 K C 0.480 177.130 176.600 0.084 0.000 1.004 204 K CA 0.189 56.551 56.287 0.124 0.000 1.071 204 K CB 0.054 32.599 32.500 0.076 0.000 0.876 204 K HN 0.620 nan 8.250 nan 0.000 0.487 205 G N 4.124 112.939 108.800 0.026 0.000 2.507 205 G HA2 0.167 4.101 3.960 -0.044 0.000 0.271 205 G HA3 0.167 4.101 3.960 -0.044 0.000 0.271 205 G C -1.510 173.353 174.900 -0.062 0.000 1.189 205 G CA -1.227 43.824 45.100 -0.082 0.000 0.859 205 G HN 0.594 nan 8.290 nan 0.000 0.542 206 P HA -0.007 nan 4.420 nan 0.000 0.226 206 P C -0.404 177.057 177.300 0.267 0.000 1.153 206 P CA 0.798 63.938 63.100 0.066 0.000 0.777 206 P CB 0.287 32.032 31.700 0.075 0.000 0.794 207 W N 1.303 122.575 121.300 -0.047 0.000 2.551 207 W HA 0.403 5.036 4.660 -0.045 0.000 0.330 207 W C 0.281 176.754 176.519 -0.078 0.000 1.063 207 W CA -1.867 55.446 57.345 -0.054 0.000 1.222 207 W CB 0.246 29.668 29.460 -0.063 0.000 1.349 207 W HN -0.247 nan 8.180 nan 0.000 0.536 208 K N 2.338 122.840 120.400 0.171 0.000 2.436 208 K HA 0.026 4.319 4.320 -0.044 0.000 0.282 208 K C 0.605 177.242 176.600 0.062 0.000 1.044 208 K CA -0.085 56.242 56.287 0.066 0.000 1.028 208 K CB 0.409 32.925 32.500 0.026 0.000 0.919 208 K HN 0.439 nan 8.250 nan 0.000 0.474 209 Q N 2.319 122.118 119.800 -0.003 0.000 2.349 209 Q HA 0.000 4.314 4.340 -0.044 0.000 0.287 209 Q C -0.718 175.272 176.000 -0.018 0.000 1.044 209 Q CA 0.505 56.289 55.803 -0.032 0.000 0.918 209 Q CB 0.738 29.421 28.738 -0.091 0.000 1.242 209 Q HN 0.496 nan 8.270 nan 0.000 0.405 210 E N 1.688 121.883 120.200 -0.008 0.000 2.334 210 E HA 0.371 4.695 4.350 -0.044 0.000 0.256 210 E C -1.040 175.564 176.600 0.006 0.000 0.958 210 E CA -1.146 55.246 56.400 -0.012 0.000 0.821 210 E CB 1.188 30.890 29.700 0.003 0.000 1.269 210 E HN 0.594 nan 8.360 nan 0.000 0.413 211 N N 0.608 119.305 118.700 -0.005 0.000 2.479 211 N HA 0.303 5.017 4.740 -0.044 0.000 0.285 211 N C -0.838 174.634 175.510 -0.063 0.000 1.075 211 N CA -0.317 52.726 53.050 -0.013 0.000 0.967 211 N CB 1.432 39.910 38.487 -0.014 0.000 1.137 211 N HN 0.278 nan 8.380 nan 0.000 0.472 212 V N -1.361 118.471 119.914 -0.136 0.000 3.113 212 V HA 0.546 4.640 4.120 -0.044 0.000 0.316 212 V C 0.453 176.474 176.094 -0.122 0.000 1.125 212 V CA -1.067 61.179 62.300 -0.091 0.000 1.026 212 V CB 1.654 33.413 31.823 -0.108 0.000 1.080 212 V HN 0.644 nan 8.190 nan 0.000 0.444 213 E N 0.592 120.751 120.200 -0.068 0.000 2.458 213 E HA 0.143 4.467 4.350 -0.044 0.000 0.264 213 E C 1.318 177.852 176.600 -0.111 0.000 1.097 213 E CA 0.488 56.845 56.400 -0.072 0.000 0.973 213 E CB 1.480 31.156 29.700 -0.040 0.000 0.963 213 E HN 1.012 nan 8.360 nan 0.000 0.451 214 A N 4.288 127.049 122.820 -0.099 0.000 1.940 214 A HA -0.151 4.143 4.320 -0.044 0.000 0.219 214 A C 1.232 178.758 177.584 -0.097 0.000 1.176 214 A CA 1.348 53.319 52.037 -0.110 0.000 0.631 214 A CB -0.048 18.903 19.000 -0.082 0.000 0.814 214 A HN 0.633 nan 8.150 nan 0.000 0.446 215 E N -0.065 120.092 120.200 -0.071 0.000 2.511 215 E HA 0.393 4.717 4.350 -0.044 0.000 0.214 215 E C -0.148 176.423 176.600 -0.048 0.000 1.062 215 E CA 0.072 56.440 56.400 -0.055 0.000 1.213 215 E CB 0.045 29.721 29.700 -0.039 0.000 1.214 215 E HN 0.491 nan 8.360 nan 0.000 0.441 216 A N 1.288 124.069 122.820 -0.064 0.000 2.492 216 A HA 0.213 4.507 4.320 -0.044 0.000 0.254 216 A C 1.196 178.759 177.584 -0.035 0.000 1.091 216 A CA 0.308 52.312 52.037 -0.054 0.000 0.768 216 A CB 0.229 19.181 19.000 -0.079 0.000 1.028 216 A HN 0.230 nan 8.150 nan 0.000 0.498 217 S N 1.313 117.008 115.700 -0.009 0.000 2.684 217 S HA 0.379 4.822 4.470 -0.044 0.000 0.268 217 S C 0.174 174.803 174.600 0.047 0.000 1.075 217 S CA -0.183 58.029 58.200 0.020 0.000 1.184 217 S CB -0.098 63.116 63.200 0.024 0.000 1.129 217 S HN 0.631 nan 8.310 nan 0.000 0.630 218 M N 1.857 121.481 119.600 0.040 0.000 2.386 218 M HA 0.569 5.023 4.480 -0.044 0.000 0.293 218 M C -1.800 174.505 176.300 0.008 0.000 1.120 218 M CA -0.641 54.703 55.300 0.073 0.000 0.909 218 M CB 2.692 35.383 32.600 0.152 0.000 1.661 218 M HN -0.120 nan 8.290 nan 0.000 0.452 219 V N 4.006 123.935 119.914 0.026 0.000 2.409 219 V HA 0.555 4.649 4.120 -0.044 0.000 0.291 219 V C -0.437 175.617 176.094 -0.066 0.000 1.020 219 V CA -0.504 61.780 62.300 -0.026 0.000 0.848 219 V CB 1.791 33.618 31.823 0.006 0.000 0.990 219 V HN 0.709 nan 8.190 nan 0.000 0.430 220 I N 3.840 124.304 120.570 -0.176 0.000 2.377 220 I HA 0.655 4.799 4.170 -0.044 0.000 0.293 220 I C 0.499 176.620 176.117 0.006 0.000 0.987 220 I CA -0.575 60.605 61.300 -0.200 0.000 1.185 220 I CB 1.837 39.523 38.000 -0.524 0.000 1.341 220 I HN 0.657 nan 8.210 nan 0.000 0.455 221 A N 6.879 129.794 122.820 0.159 0.000 2.269 221 A HA 0.565 4.859 4.320 -0.044 0.000 0.302 221 A C -0.235 177.635 177.584 0.477 0.000 1.266 221 A CA -0.427 51.789 52.037 0.298 0.000 0.894 221 A CB 0.241 19.398 19.000 0.262 0.000 1.147 221 A HN 0.488 nan 8.150 nan 0.000 0.537 222 V N 5.781 125.953 119.914 0.430 0.000 2.488 222 V HA 0.242 4.336 4.120 -0.044 0.000 0.277 222 V C -1.917 174.367 176.094 0.318 0.000 1.046 222 V CA -1.180 61.361 62.300 0.401 0.000 0.986 222 V CB 0.880 32.950 31.823 0.412 0.000 0.989 222 V HN 0.780 nan 8.190 nan 0.000 0.475 223 P HA 0.226 nan 4.420 nan 0.000 0.275 223 P C -0.237 177.047 177.300 -0.028 0.000 1.266 223 P CA -0.670 62.164 63.100 -0.443 0.000 0.793 223 P CB 0.572 31.952 31.700 -0.533 0.000 1.074 224 E N 0.994 121.175 120.200 -0.031 0.000 2.392 224 E HA 0.104 4.428 4.350 -0.044 0.000 0.264 224 E C -1.635 175.013 176.600 0.081 0.000 1.024 224 E CA -1.100 55.344 56.400 0.074 0.000 0.903 224 E CB -0.259 29.481 29.700 0.067 0.000 0.963 224 E HN 0.428 nan 8.360 nan 0.000 0.432 225 P HA 0.236 nan 4.420 nan 0.000 0.328 225 P C 0.026 177.453 177.300 0.213 0.000 1.305 225 P CA -0.242 62.872 63.100 0.023 0.000 0.745 225 P CB 0.563 32.119 31.700 -0.240 0.000 1.462 226 F N -3.077 116.924 119.950 0.086 0.000 2.559 226 F HA -0.295 4.207 4.527 -0.042 0.000 0.681 226 F C 1.567 177.502 175.800 0.225 0.000 0.488 226 F CA 2.305 60.377 58.000 0.120 0.000 0.759 226 F CB -2.530 36.508 39.000 0.065 0.000 1.634 226 F HN 0.767 nan 8.300 nan 0.000 0.264 227 G N -0.118 108.944 108.800 0.438 0.000 2.564 227 G HA2 0.320 4.254 3.960 -0.044 0.000 0.273 227 G HA3 0.320 4.254 3.960 -0.044 0.000 0.273 227 G C 1.290 176.482 174.900 0.487 0.000 1.242 227 G CA 1.311 46.664 45.100 0.423 0.000 0.951 227 G HN 2.453 nan 8.290 nan 0.000 0.564 228 G N -1.814 107.263 108.800 0.461 0.000 2.693 228 G HA2 0.445 4.379 3.960 -0.044 0.000 0.226 228 G HA3 0.445 4.379 3.960 -0.044 0.000 0.226 228 G C 0.153 175.237 174.900 0.307 0.000 1.354 228 G CA 1.177 46.499 45.100 0.369 0.000 0.873 228 G HN 2.815 nan 8.290 nan 0.000 0.562 229 A N -0.908 121.969 122.820 0.096 0.000 2.393 229 A HA 0.801 5.095 4.320 -0.044 0.000 0.306 229 A C -0.205 177.357 177.584 -0.037 0.000 1.050 229 A CA -0.458 51.640 52.037 0.103 0.000 0.724 229 A CB 1.185 20.308 19.000 0.204 0.000 1.248 229 A HN 1.200 nan 8.150 nan 0.000 0.424 230 I N 2.056 122.625 120.570 -0.002 0.000 2.353 230 I HA 0.352 4.496 4.170 -0.044 0.000 0.293 230 I C -0.647 175.430 176.117 -0.066 0.000 0.992 230 I CA -0.152 61.132 61.300 -0.026 0.000 1.268 230 I CB 1.383 39.297 38.000 -0.145 0.000 1.387 230 I HN 0.483 nan 8.210 nan 0.000 0.478 231 I N 7.409 127.968 120.570 -0.018 0.000 2.411 231 I HA 0.365 4.509 4.170 -0.044 0.000 0.284 231 I C -0.375 175.721 176.117 -0.036 0.000 1.012 231 I CA -0.240 61.035 61.300 -0.041 0.000 1.119 231 I CB 1.203 39.168 38.000 -0.059 0.000 1.261 231 I HN 0.373 nan 8.210 nan 0.000 0.448 232 I N 5.442 125.980 120.570 -0.053 0.000 2.365 232 I HA 0.497 4.641 4.170 -0.044 0.000 0.291 232 I C 0.887 176.987 176.117 -0.029 0.000 1.004 232 I CA 0.139 61.413 61.300 -0.044 0.000 1.311 232 I CB 1.366 39.344 38.000 -0.036 0.000 1.401 232 I HN 0.666 nan 8.210 nan 0.000 0.491 233 G N 3.264 112.043 108.800 -0.035 0.000 3.211 233 G HA2 0.265 4.199 3.960 -0.044 0.000 0.167 233 G HA3 0.265 4.199 3.960 -0.044 0.000 0.167 233 G C 0.065 174.943 174.900 -0.037 0.000 1.212 233 G CA -0.090 44.990 45.100 -0.034 0.000 0.928 233 G HN 0.537 nan 8.290 nan 0.000 0.607 234 Q N -1.573 118.204 119.800 -0.038 0.000 2.394 234 Q HA 0.141 4.455 4.340 -0.044 0.000 0.218 234 Q C 1.899 177.870 176.000 -0.047 0.000 0.907 234 Q CA 0.295 56.075 55.803 -0.038 0.000 0.919 234 Q CB 0.448 29.167 28.738 -0.031 0.000 1.051 234 Q HN 0.489 nan 8.270 nan 0.000 0.538 235 E N -0.141 120.032 120.200 -0.045 0.000 2.307 235 E HA 0.071 4.395 4.350 -0.044 0.000 0.195 235 E C 0.133 176.699 176.600 -0.056 0.000 0.975 235 E CA 0.464 56.837 56.400 -0.046 0.000 0.878 235 E CB 1.154 30.832 29.700 -0.035 0.000 0.845 235 E HN 0.181 nan 8.360 nan 0.000 0.488 236 S N -0.146 115.521 115.700 -0.055 0.000 2.550 236 S HA 0.600 5.044 4.470 -0.044 0.000 0.270 236 S C -0.668 173.897 174.600 -0.058 0.000 1.145 236 S CA -0.880 57.286 58.200 -0.057 0.000 0.852 236 S CB 1.411 64.593 63.200 -0.031 0.000 1.119 236 S HN 0.025 nan 8.310 nan 0.000 0.465 237 I N 2.391 122.919 120.570 -0.072 0.000 2.382 237 I HA 0.475 4.618 4.170 -0.044 0.000 0.286 237 I C 0.003 176.085 176.117 -0.057 0.000 1.002 237 I CA -0.323 60.937 61.300 -0.067 0.000 1.135 237 I CB 2.053 39.997 38.000 -0.093 0.000 1.288 237 I HN 0.909 nan 8.210 nan 0.000 0.448 238 T N 2.199 116.751 114.554 -0.005 0.000 2.885 238 T HA 0.518 4.842 4.350 -0.044 0.000 0.285 238 T C -0.925 173.829 174.700 0.090 0.000 1.019 238 T CA -0.754 61.345 62.100 -0.002 0.000 1.010 238 T CB 1.874 70.842 68.868 0.167 0.000 1.022 238 T HN 0.357 nan 8.240 nan 0.000 0.466 239 Y N 1.623 121.823 120.300 -0.167 0.000 2.377 239 Y HA 0.528 5.056 4.550 -0.036 0.000 0.339 239 Y C -0.345 175.474 175.900 -0.135 0.000 1.011 239 Y CA -0.765 57.284 58.100 -0.085 0.000 1.093 239 Y CB 1.311 39.678 38.460 -0.157 0.000 1.201 239 Y HN 0.790 nan 8.280 nan 0.000 0.455 240 H N 5.135 123.681 119.070 -0.873 0.000 2.679 240 H HA 0.338 4.868 4.556 -0.044 0.000 0.360 240 H C -1.298 173.265 175.328 -1.275 0.000 1.105 240 H CA -1.045 54.562 56.048 -0.736 0.000 1.196 240 H CB 2.146 31.671 29.762 -0.395 0.000 1.636 240 H HN 0.762 nan 8.280 nan 0.000 0.531 241 N N 1.805 119.858 118.700 -1.078 0.000 2.905 241 N HA 0.216 4.930 4.740 -0.044 0.000 0.255 241 N C 0.455 175.388 175.510 -0.962 0.000 1.199 241 N CA 0.476 52.783 53.050 -1.238 0.000 0.911 241 N CB 1.095 39.351 38.487 -0.386 0.000 1.550 241 N HN 0.950 nan 8.380 nan 0.000 0.599 242 G N 3.656 111.540 108.800 -1.526 0.000 2.846 242 G HA2 -0.389 3.545 3.960 -0.044 0.000 0.317 242 G HA3 -0.389 3.545 3.960 -0.044 0.000 0.317 242 G C 0.164 174.848 174.900 -0.360 0.000 1.210 242 G CA 1.234 45.989 45.100 -0.575 0.000 0.972 242 G HN 0.733 nan 8.290 nan 0.000 0.567 243 D N 0.198 120.466 120.400 -0.221 0.000 2.556 243 D HA 0.407 5.021 4.640 -0.044 0.000 0.237 243 D C 0.503 176.738 176.300 -0.108 0.000 1.296 243 D CA 0.266 54.177 54.000 -0.149 0.000 0.807 243 D CB 0.355 41.106 40.800 -0.082 0.000 1.084 243 D HN 0.618 nan 8.370 nan 0.000 0.510 244 K N 0.968 121.295 120.400 -0.122 0.000 2.368 244 K HA 0.347 4.641 4.320 -0.044 0.000 0.282 244 K C -1.502 175.093 176.600 -0.010 0.000 1.035 244 K CA -0.416 55.851 56.287 -0.034 0.000 0.973 244 K CB 0.241 32.748 32.500 0.013 0.000 0.957 244 K HN 0.141 nan 8.250 nan 0.000 0.474 245 Y N 4.289 124.513 120.300 -0.126 0.000 2.442 245 Y HA 0.468 4.994 4.550 -0.040 0.000 0.330 245 Y C -2.082 173.753 175.900 -0.108 0.000 1.100 245 Y CA -0.938 57.039 58.100 -0.205 0.000 1.034 245 Y CB 1.182 39.462 38.460 -0.300 0.000 1.285 245 Y HN 0.524 nan 8.280 nan 0.000 0.440 246 L N 5.202 125.980 121.223 -0.741 0.000 2.388 246 L HA 1.005 5.319 4.340 -0.044 0.000 0.264 246 L C -1.065 175.299 176.870 -0.844 0.000 0.998 246 L CA -1.233 53.217 54.840 -0.650 0.000 0.817 246 L CB 2.338 44.223 42.059 -0.291 0.000 1.338 246 L HN 0.809 nan 8.230 nan 0.000 0.414 247 A N 3.588 126.065 122.820 -0.572 0.000 2.429 247 A HA 0.796 5.089 4.320 -0.044 0.000 0.289 247 A C -1.108 176.363 177.584 -0.188 0.000 1.043 247 A CA -0.384 51.436 52.037 -0.363 0.000 0.722 247 A CB 1.285 20.111 19.000 -0.291 0.000 1.243 247 A HN 0.675 nan 8.150 nan 0.000 0.415 248 I N -0.530 119.957 120.570 -0.139 0.000 2.545 248 I HA 0.882 5.026 4.170 -0.044 0.000 0.292 248 I C 0.019 176.085 176.117 -0.085 0.000 1.040 248 I CA -0.996 60.242 61.300 -0.104 0.000 1.068 248 I CB 2.541 40.478 38.000 -0.105 0.000 1.251 248 I HN 0.629 nan 8.210 nan 0.000 0.424 249 A N 6.147 128.925 122.820 -0.070 0.000 3.204 249 A HA 0.603 4.896 4.320 -0.044 0.000 0.327 249 A C -2.557 174.989 177.584 -0.064 0.000 0.998 249 A CA -1.294 50.705 52.037 -0.064 0.000 0.891 249 A CB -0.417 18.556 19.000 -0.045 0.000 1.061 249 A HN 0.616 nan 8.150 nan 0.000 0.478 250 P HA 0.183 nan 4.420 nan 0.000 0.271 250 P C -2.086 175.175 177.300 -0.065 0.000 1.220 250 P CA -1.047 62.010 63.100 -0.071 0.000 0.768 250 P CB 1.185 32.830 31.700 -0.092 0.000 0.848 251 P HA -0.138 nan 4.420 nan 0.000 0.218 251 P C 1.681 178.971 177.300 -0.018 0.000 1.148 251 P CA 0.935 64.020 63.100 -0.025 0.000 0.822 251 P CB 0.083 31.777 31.700 -0.011 0.000 0.784 252 I N -0.781 119.785 120.570 -0.007 0.000 2.399 252 I HA -0.228 3.916 4.170 -0.044 0.000 0.254 252 I C 1.823 177.945 176.117 0.008 0.000 1.146 252 I CA 1.189 62.513 61.300 0.040 0.000 1.412 252 I CB -0.115 37.953 38.000 0.113 0.000 1.076 252 I HN -0.191 nan 8.210 nan 0.000 0.432 253 I N 0.805 121.310 120.570 -0.109 0.000 2.500 253 I HA -0.171 3.973 4.170 -0.044 0.000 0.252 253 I C 2.229 178.303 176.117 -0.071 0.000 1.142 253 I CA 1.144 62.340 61.300 -0.172 0.000 1.451 253 I CB -1.229 36.623 38.000 -0.247 0.000 1.093 253 I HN 0.242 nan 8.210 nan 0.000 0.430 254 K N 1.265 121.636 120.400 -0.047 0.000 2.360 254 K HA -0.168 4.126 4.320 -0.044 0.000 0.201 254 K C 1.540 178.133 176.600 -0.013 0.000 1.046 254 K CA 0.797 57.066 56.287 -0.030 0.000 0.945 254 K CB -0.336 32.150 32.500 -0.024 0.000 0.750 254 K HN 0.636 nan 8.250 nan 0.000 0.464 255 Q N 0.058 119.860 119.800 0.003 0.000 2.280 255 Q HA 0.153 4.467 4.340 -0.044 0.000 0.201 255 Q C -0.130 175.878 176.000 0.013 0.000 0.890 255 Q CA -0.080 55.730 55.803 0.011 0.000 0.947 255 Q CB 0.679 29.430 28.738 0.021 0.000 1.081 255 Q HN -0.040 nan 8.270 nan 0.000 0.502 256 S N 0.153 115.864 115.700 0.019 0.000 2.584 256 S HA 0.221 4.665 4.470 -0.044 0.000 0.280 256 S C -1.082 173.528 174.600 0.016 0.000 1.162 256 S CA -0.480 57.730 58.200 0.016 0.000 0.951 256 S CB 1.843 65.075 63.200 0.053 0.000 1.108 256 S HN 0.202 nan 8.310 nan 0.000 0.464 257 T N 5.339 119.888 114.554 -0.009 0.000 2.769 257 T HA 0.288 4.612 4.350 -0.044 0.000 0.293 257 T C 0.530 175.241 174.700 0.017 0.000 0.931 257 T CA 0.147 62.243 62.100 -0.007 0.000 1.139 257 T CB -0.434 68.422 68.868 -0.020 0.000 0.881 257 T HN 0.500 nan 8.240 nan 0.000 0.532 258 I N 3.910 124.495 120.570 0.026 0.000 2.618 258 I HA 0.039 4.183 4.170 -0.044 0.000 0.284 258 I C 1.049 177.198 176.117 0.054 0.000 1.146 258 I CA 0.091 61.425 61.300 0.058 0.000 1.425 258 I CB 0.924 38.951 38.000 0.044 0.000 1.383 258 I HN 0.435 nan 8.210 nan 0.000 0.562 259 V N 5.504 125.456 119.914 0.064 0.000 3.548 259 V HA 0.061 4.155 4.120 -0.044 0.000 0.279 259 V C 0.108 176.230 176.094 0.046 0.000 1.446 259 V CA 0.250 62.578 62.300 0.048 0.000 1.023 259 V CB 0.752 32.593 31.823 0.030 0.000 0.820 259 V HN 1.001 nan 8.190 nan 0.000 0.438 260 C N -0.317 119.019 119.300 0.061 0.000 3.288 260 C HA 0.908 5.341 4.460 -0.044 0.000 0.318 260 C C -0.800 174.246 174.990 0.094 0.000 1.356 260 C CA -0.711 58.315 59.018 0.013 0.000 1.359 260 C CB 1.245 28.975 27.740 -0.016 0.000 1.688 260 C HN 0.667 nan 8.230 nan 0.000 0.467 261 H N -0.047 119.083 119.070 0.100 0.000 3.016 261 H HA 0.819 5.348 4.556 -0.045 0.000 0.362 261 H C -1.378 174.054 175.328 0.173 0.000 1.233 261 H CA -0.571 55.557 56.048 0.133 0.000 1.124 261 H CB 1.248 31.072 29.762 0.104 0.000 1.850 261 H HN 1.000 nan 8.280 nan 0.000 0.549 262 N N 0.852 119.785 118.700 0.388 0.000 2.331 262 N HA 0.220 4.934 4.740 -0.044 0.000 0.280 262 N C -1.401 174.316 175.510 0.345 0.000 1.155 262 N CA -0.819 52.436 53.050 0.341 0.000 0.822 262 N CB 2.966 41.579 38.487 0.209 0.000 1.619 262 N HN 0.784 nan 8.380 nan 0.000 0.476 263 R N 2.250 122.887 120.500 0.229 0.000 2.308 263 R HA 0.358 4.672 4.340 -0.044 0.000 0.305 263 R C 0.139 176.343 176.300 -0.160 0.000 1.053 263 R CA -0.307 55.701 56.100 -0.153 0.000 0.957 263 R CB 1.034 31.269 30.300 -0.108 0.000 1.022 263 R HN 0.350 nan 8.270 nan 0.000 0.461 264 V N 2.246 121.955 119.914 -0.342 0.000 2.521 264 V HA 0.039 4.133 4.120 -0.044 0.000 0.239 264 V C 0.135 175.999 176.094 -0.384 0.000 1.053 264 V CA 1.011 63.057 62.300 -0.423 0.000 1.073 264 V CB -0.045 31.443 31.823 -0.559 0.000 0.746 264 V HN 0.760 nan 8.190 nan 0.000 0.476 265 D N 0.343 120.536 120.400 -0.345 0.000 2.177 265 D HA 0.282 4.896 4.640 -0.044 0.000 0.247 265 D C -1.819 174.374 176.300 -0.178 0.000 1.063 265 D CA -1.853 52.008 54.000 -0.233 0.000 0.867 265 D CB 1.575 42.248 40.800 -0.212 0.000 1.168 265 D HN 0.026 nan 8.370 nan 0.000 0.445 266 P HA -0.143 nan 4.420 nan 0.000 0.218 266 P C 0.495 177.744 177.300 -0.086 0.000 1.146 266 P CA 1.126 64.186 63.100 -0.068 0.000 0.813 266 P CB 0.309 31.995 31.700 -0.023 0.000 0.778 267 N N -1.154 117.499 118.700 -0.078 0.000 2.396 267 N HA 0.048 4.762 4.740 -0.044 0.000 0.180 267 N C 1.305 176.787 175.510 -0.046 0.000 1.028 267 N CA 1.323 54.349 53.050 -0.041 0.000 0.893 267 N CB -0.840 37.633 38.487 -0.024 0.000 0.967 267 N HN 0.148 nan 8.380 nan 0.000 0.440 268 G N -0.657 108.064 108.800 -0.132 0.000 2.160 268 G HA2 -0.296 3.638 3.960 -0.044 0.000 0.244 268 G HA3 -0.296 3.638 3.960 -0.044 0.000 0.244 268 G C 0.867 175.697 174.900 -0.116 0.000 1.022 268 G CA 0.591 45.607 45.100 -0.140 0.000 0.741 268 G HN 0.370 nan 8.290 nan 0.000 0.508 269 S N -0.690 114.905 115.700 -0.175 0.000 2.362 269 S HA 0.157 4.601 4.470 -0.044 0.000 0.221 269 S C 1.205 175.720 174.600 -0.141 0.000 1.032 269 S CA 0.927 59.035 58.200 -0.153 0.000 0.973 269 S CB 0.290 63.407 63.200 -0.139 0.000 0.849 269 S HN 0.660 nan 8.310 nan 0.000 0.465 270 R N -0.165 120.194 120.500 -0.235 0.000 2.621 270 R HA 0.602 4.916 4.340 -0.044 0.000 0.292 270 R C -1.848 174.246 176.300 -0.344 0.000 0.969 270 R CA -0.439 55.546 56.100 -0.191 0.000 0.887 270 R CB 1.481 31.672 30.300 -0.183 0.000 1.180 270 R HN 0.212 nan 8.270 nan 0.000 0.450 271 Y N 1.595 121.877 120.300 -0.031 0.000 2.462 271 Y HA 0.419 4.946 4.550 -0.038 0.000 0.346 271 Y C -0.168 175.760 175.900 0.047 0.000 0.976 271 Y CA -0.849 57.262 58.100 0.019 0.000 1.044 271 Y CB 1.799 40.278 38.460 0.032 0.000 1.230 271 Y HN 0.243 nan 8.280 nan 0.000 0.455 272 L N 4.324 125.689 121.223 0.237 0.000 2.325 272 L HA 0.592 4.906 4.340 -0.044 0.000 0.279 272 L C -0.936 176.081 176.870 0.245 0.000 1.054 272 L CA -0.569 54.394 54.840 0.205 0.000 0.804 272 L CB 0.967 43.128 42.059 0.170 0.000 1.200 272 L HN 0.434 nan 8.230 nan 0.000 0.436 273 L N 1.883 123.248 121.223 0.236 0.000 2.401 273 L HA 0.781 5.095 4.340 -0.044 0.000 0.266 273 L C -0.023 176.991 176.870 0.240 0.000 0.991 273 L CA -0.634 54.352 54.840 0.244 0.000 0.818 273 L CB 2.029 44.230 42.059 0.237 0.000 1.321 273 L HN 0.612 nan 8.230 nan 0.000 0.413 274 G N 0.290 109.200 108.800 0.184 0.000 2.566 274 G HA2 0.630 4.564 3.960 -0.044 0.000 0.311 274 G HA3 0.630 4.564 3.960 -0.044 0.000 0.311 274 G C -1.648 173.334 174.900 0.137 0.000 1.322 274 G CA -0.259 44.923 45.100 0.136 0.000 0.969 274 G HN 0.643 nan 8.290 nan 0.000 0.490 275 D N 0.978 121.459 120.400 0.134 0.000 2.525 275 D HA 0.315 4.929 4.640 -0.044 0.000 0.249 275 D C 1.359 177.680 176.300 0.035 0.000 1.072 275 D CA -1.053 53.010 54.000 0.104 0.000 1.067 275 D CB 0.844 41.747 40.800 0.171 0.000 1.282 275 D HN 0.125 nan 8.370 nan 0.000 0.587 276 M N -0.412 119.184 119.600 -0.007 0.000 2.549 276 M HA -0.019 4.435 4.480 -0.044 0.000 0.260 276 M C 0.593 176.838 176.300 -0.092 0.000 1.076 276 M CA 1.026 56.279 55.300 -0.078 0.000 1.090 276 M CB -0.630 31.874 32.600 -0.159 0.000 1.418 276 M HN 0.471 nan 8.290 nan 0.000 0.486 277 E N -0.512 119.662 120.200 -0.042 0.000 2.444 277 E HA 0.234 4.557 4.350 -0.044 0.000 0.191 277 E C 1.192 177.785 176.600 -0.013 0.000 1.041 277 E CA 0.228 56.611 56.400 -0.029 0.000 0.883 277 E CB -0.095 29.594 29.700 -0.019 0.000 1.024 277 E HN 0.567 nan 8.360 nan 0.000 0.470 278 G N 2.160 110.954 108.800 -0.009 0.000 2.166 278 G HA2 -0.371 3.562 3.960 -0.044 0.000 0.260 278 G HA3 -0.371 3.562 3.960 -0.044 0.000 0.260 278 G C 0.439 175.309 174.900 -0.051 0.000 0.986 278 G CA 0.413 45.504 45.100 -0.016 0.000 0.683 278 G HN 0.234 nan 8.290 nan 0.000 0.527 279 R N -0.687 119.770 120.500 -0.071 0.000 2.537 279 R HA 0.468 4.782 4.340 -0.044 0.000 0.280 279 R C 0.008 176.163 176.300 -0.241 0.000 1.058 279 R CA -0.426 55.549 56.100 -0.209 0.000 1.057 279 R CB 0.510 30.640 30.300 -0.284 0.000 0.973 279 R HN 0.212 nan 8.270 nan 0.000 0.438 280 L N 5.227 126.262 121.223 -0.314 0.000 2.294 280 L HA 0.420 4.734 4.340 -0.044 0.000 0.283 280 L C -1.392 175.304 176.870 -0.291 0.000 1.015 280 L CA 0.053 54.783 54.840 -0.183 0.000 0.831 280 L CB 0.566 42.581 42.059 -0.073 0.000 1.217 280 L HN 0.423 nan 8.230 nan 0.000 0.420 281 F N 4.367 124.343 119.950 0.043 0.000 2.440 281 F HA 0.615 5.112 4.527 -0.049 0.000 0.328 281 F C 0.241 176.065 175.800 0.040 0.000 1.070 281 F CA -0.676 57.347 58.000 0.038 0.000 1.011 281 F CB 1.701 40.720 39.000 0.031 0.000 1.226 281 F HN 0.387 nan 8.300 nan 0.000 0.491 282 M N 3.012 122.755 119.600 0.238 0.000 2.294 282 M HA 0.512 4.966 4.480 -0.044 0.000 0.335 282 M C -1.876 174.497 176.300 0.121 0.000 1.079 282 M CA -0.732 54.648 55.300 0.133 0.000 0.982 282 M CB 1.406 34.031 32.600 0.041 0.000 1.651 282 M HN 0.478 nan 8.290 nan 0.000 0.437 283 L N 6.338 127.631 121.223 0.117 0.000 2.287 283 L HA 0.724 5.038 4.340 -0.044 0.000 0.287 283 L C -2.007 174.906 176.870 0.072 0.000 1.022 283 L CA -0.209 54.678 54.840 0.080 0.000 0.814 283 L CB 1.025 43.134 42.059 0.083 0.000 1.217 283 L HN 0.758 nan 8.230 nan 0.000 0.420 284 L N 5.728 126.955 121.223 0.007 0.000 2.329 284 L HA 0.527 4.841 4.340 -0.044 0.000 0.279 284 L C -0.936 175.890 176.870 -0.073 0.000 1.014 284 L CA -0.457 54.365 54.840 -0.031 0.000 0.814 284 L CB 1.715 43.739 42.059 -0.057 0.000 1.257 284 L HN 0.424 nan 8.230 nan 0.000 0.424 285 L N 2.919 124.078 121.223 -0.107 0.000 2.262 285 L HA 0.391 4.705 4.340 -0.044 0.000 0.288 285 L C 0.016 176.736 176.870 -0.250 0.000 1.035 285 L CA -0.033 54.679 54.840 -0.213 0.000 0.820 285 L CB 0.956 42.854 42.059 -0.268 0.000 1.204 285 L HN 0.527 nan 8.230 nan 0.000 0.424 286 E N 3.224 123.287 120.200 -0.229 0.000 2.227 286 E HA 0.311 4.635 4.350 -0.044 0.000 0.282 286 E C -0.650 175.827 176.600 -0.206 0.000 1.015 286 E CA -0.572 55.718 56.400 -0.183 0.000 0.823 286 E CB 1.114 30.737 29.700 -0.129 0.000 1.081 286 E HN 0.344 nan 8.360 nan 0.000 0.396 287 K N 2.615 122.924 120.400 -0.151 0.000 2.211 287 K HA 0.236 4.529 4.320 -0.044 0.000 0.275 287 K C -0.406 176.180 176.600 -0.023 0.000 1.024 287 K CA -0.386 55.855 56.287 -0.077 0.000 0.887 287 K CB 1.389 33.886 32.500 -0.006 0.000 1.084 287 K HN 0.416 nan 8.250 nan 0.000 0.463 288 E N 2.872 123.075 120.200 0.004 0.000 2.199 288 E HA 0.066 4.390 4.350 -0.044 0.000 0.265 288 E C -1.240 175.378 176.600 0.029 0.000 0.882 288 E CA -0.610 55.794 56.400 0.006 0.000 0.759 288 E CB 1.378 31.071 29.700 -0.011 0.000 1.148 288 E HN 0.511 nan 8.360 nan 0.000 0.412 289 E N 3.164 123.376 120.200 0.020 0.000 2.299 289 E HA -0.014 4.309 4.350 -0.044 0.000 0.272 289 E C -0.489 176.118 176.600 0.012 0.000 1.043 289 E CA 0.043 56.455 56.400 0.020 0.000 0.895 289 E CB 0.853 30.560 29.700 0.013 0.000 1.011 289 E HN 0.345 nan 8.360 nan 0.000 0.432 296 T N -0.491 114.167 114.554 0.174 0.000 2.773 296 T HA 0.850 5.174 4.350 -0.044 0.000 0.278 296 T C -0.606 174.278 174.700 0.308 0.000 1.011 296 T CA -0.899 61.406 62.100 0.340 0.000 1.014 296 T CB 2.291 71.249 68.868 0.150 0.000 1.293 296 T HN 0.632 nan 8.240 nan 0.000 0.554 297 L N 1.589 122.951 121.223 0.231 0.000 2.295 297 L HA 0.431 4.745 4.340 -0.044 0.000 0.288 297 L C 1.384 178.174 176.870 -0.133 0.000 1.079 297 L CA -0.148 54.607 54.840 -0.141 0.000 0.830 297 L CB 0.287 42.143 42.059 -0.338 0.000 1.200 297 L HN 0.843 nan 8.230 nan 0.000 0.438 298 K N 2.395 122.714 120.400 -0.135 0.000 1.975 298 K HA 0.012 4.306 4.320 -0.044 0.000 0.210 298 K C -0.077 176.442 176.600 -0.134 0.000 1.041 298 K CA 1.204 57.428 56.287 -0.106 0.000 0.942 298 K CB 0.211 32.661 32.500 -0.084 0.000 0.729 298 K HN 0.748 nan 8.250 nan 0.000 0.439 299 D N -1.887 118.419 120.400 -0.158 0.000 2.639 299 D HA 0.317 4.931 4.640 -0.044 0.000 0.271 299 D C -1.773 174.425 176.300 -0.170 0.000 1.254 299 D CA -0.591 53.314 54.000 -0.157 0.000 0.810 299 D CB 1.274 42.004 40.800 -0.116 0.000 1.351 299 D HN 0.018 nan 8.370 nan 0.000 0.427 300 L N 1.477 122.606 121.223 -0.157 0.000 2.307 300 L HA 0.628 4.942 4.340 -0.044 0.000 0.282 300 L C 0.132 176.941 176.870 -0.101 0.000 1.051 300 L CA -0.649 54.110 54.840 -0.135 0.000 0.804 300 L CB 1.474 43.455 42.059 -0.131 0.000 1.197 300 L HN 0.216 nan 8.230 nan 0.000 0.431 301 R N 1.954 122.405 120.500 -0.081 0.000 2.621 301 R HA 0.742 5.055 4.340 -0.044 0.000 0.292 301 R C -1.685 174.592 176.300 -0.039 0.000 0.969 301 R CA -0.585 55.479 56.100 -0.059 0.000 0.887 301 R CB 2.171 32.439 30.300 -0.053 0.000 1.180 301 R HN 0.431 nan 8.270 nan 0.000 0.450 302 V N 3.914 123.810 119.914 -0.030 0.000 2.487 302 V HA 0.430 4.524 4.120 -0.044 0.000 0.298 302 V C -0.661 175.474 176.094 0.068 0.000 1.028 302 V CA -0.791 61.510 62.300 0.000 0.000 0.860 302 V CB 1.723 33.492 31.823 -0.089 0.000 0.991 302 V HN 0.738 nan 8.190 nan 0.000 0.427 303 E N 3.554 123.833 120.200 0.133 0.000 2.222 303 E HA 0.454 4.778 4.350 -0.044 0.000 0.267 303 E C -0.828 175.934 176.600 0.270 0.000 0.884 303 E CA -0.753 55.740 56.400 0.154 0.000 0.764 303 E CB 3.149 32.878 29.700 0.048 0.000 1.169 303 E HN 0.541 nan 8.360 nan 0.000 0.413 304 L N 3.779 125.148 121.223 0.244 0.000 2.410 304 L HA 0.129 4.443 4.340 -0.044 0.000 0.273 304 L C 0.837 177.733 176.870 0.044 0.000 1.152 304 L CA 0.080 54.941 54.840 0.034 0.000 0.855 304 L CB 0.434 42.494 42.059 0.001 0.000 1.129 304 L HN 0.550 nan 8.230 nan 0.000 0.463 305 L N 4.338 125.541 121.223 -0.033 0.000 2.349 305 L HA 0.403 4.717 4.340 -0.044 0.000 0.200 305 L C 0.994 177.924 176.870 0.101 0.000 1.064 305 L CA 0.614 55.523 54.840 0.116 0.000 0.821 305 L CB -0.065 42.025 42.059 0.051 0.000 1.027 305 L HN 0.823 nan 8.230 nan 0.000 0.476 306 G N -0.253 108.514 108.800 -0.055 0.000 2.452 306 G HA2 0.154 4.088 3.960 -0.044 0.000 0.224 306 G HA3 0.154 4.088 3.960 -0.044 0.000 0.224 306 G C -1.859 172.970 174.900 -0.118 0.000 1.208 306 G CA -0.423 44.635 45.100 -0.071 0.000 0.946 306 G HN 0.050 nan 8.290 nan 0.000 0.481 307 E N -0.552 119.599 120.200 -0.082 0.000 2.266 307 E HA 0.726 5.050 4.350 -0.044 0.000 0.268 307 E C -0.058 176.510 176.600 -0.053 0.000 0.879 307 E CA -0.168 56.186 56.400 -0.077 0.000 0.762 307 E CB 2.175 31.837 29.700 -0.064 0.000 1.199 307 E HN 0.839 nan 8.360 nan 0.000 0.422 308 T N 0.194 114.718 114.554 -0.049 0.000 2.693 308 T HA 0.503 4.826 4.350 -0.044 0.000 0.278 308 T C -0.053 174.627 174.700 -0.032 0.000 0.994 308 T CA -0.908 61.166 62.100 -0.043 0.000 1.033 308 T CB 0.883 69.721 68.868 -0.051 0.000 1.342 308 T HN 0.335 nan 8.240 nan 0.000 0.538 309 S N 0.197 115.873 115.700 -0.040 0.000 2.579 309 S HA 0.341 4.785 4.470 -0.044 0.000 0.275 309 S C 0.477 175.065 174.600 -0.020 0.000 1.345 309 S CA -0.650 57.534 58.200 -0.026 0.000 1.031 309 S CB -0.361 62.813 63.200 -0.043 0.000 0.892 309 S HN 0.536 nan 8.310 nan 0.000 0.529 310 I N 2.048 122.622 120.570 0.007 0.000 2.668 310 I HA 0.114 4.258 4.170 -0.044 0.000 0.285 310 I C 0.632 176.749 176.117 0.000 0.000 1.168 310 I CA 0.021 61.331 61.300 0.016 0.000 1.424 310 I CB -0.015 38.019 38.000 0.057 0.000 1.377 310 I HN 0.597 nan 8.210 nan 0.000 0.560 311 A N 6.404 129.220 122.820 -0.006 0.000 2.305 311 A HA 0.337 4.631 4.320 -0.044 0.000 0.322 311 A C 0.845 178.427 177.584 -0.003 0.000 1.187 311 A CA -0.545 51.479 52.037 -0.022 0.000 0.825 311 A CB 1.008 19.991 19.000 -0.029 0.000 1.164 311 A HN 0.783 nan 8.150 nan 0.000 0.498 312 E N 0.033 120.230 120.200 -0.006 0.000 2.230 312 E HA 0.016 4.340 4.350 -0.044 0.000 0.192 312 E C 0.095 176.694 176.600 -0.003 0.000 0.987 312 E CA 1.297 57.699 56.400 0.003 0.000 0.841 312 E CB 0.113 29.819 29.700 0.009 0.000 0.783 312 E HN 0.856 nan 8.360 nan 0.000 0.481 313 C N -0.834 118.463 119.300 -0.004 0.000 3.171 313 C HA 0.664 5.098 4.460 -0.044 0.000 0.336 313 C C -1.167 173.829 174.990 0.012 0.000 1.198 313 C CA -1.480 57.543 59.018 0.008 0.000 1.319 313 C CB 0.639 28.400 27.740 0.035 0.000 1.682 313 C HN -0.037 nan 8.230 nan 0.000 0.497 314 L N 2.773 124.020 121.223 0.040 0.000 2.346 314 L HA 0.902 5.216 4.340 -0.044 0.000 0.274 314 L C 0.453 177.404 176.870 0.135 0.000 1.007 314 L CA 0.140 55.021 54.840 0.068 0.000 0.818 314 L CB 2.084 44.189 42.059 0.077 0.000 1.284 314 L HN 1.120 nan 8.230 nan 0.000 0.424 315 T N -0.509 114.159 114.554 0.188 0.000 2.937 315 T HA 0.364 4.688 4.350 -0.044 0.000 0.297 315 T C -0.587 174.229 174.700 0.192 0.000 0.991 315 T CA -0.636 61.578 62.100 0.191 0.000 0.990 315 T CB 0.659 69.626 68.868 0.165 0.000 0.991 315 T HN 0.300 nan 8.240 nan 0.000 0.440 316 Y N 3.752 124.098 120.300 0.078 0.000 2.610 316 Y HA 0.302 4.836 4.550 -0.028 0.000 0.332 316 Y C 0.452 176.380 175.900 0.047 0.000 1.201 316 Y CA -0.245 57.889 58.100 0.056 0.000 1.465 316 Y CB 0.355 38.832 38.460 0.029 0.000 1.283 316 Y HN 0.752 nan 8.280 nan 0.000 0.563 317 L N 2.576 123.485 121.223 -0.525 0.000 2.546 317 L HA 0.331 4.645 4.340 -0.044 0.000 0.185 317 L C -0.311 176.329 176.870 -0.384 0.000 1.247 317 L CA 0.253 54.900 54.840 -0.321 0.000 0.848 317 L CB 0.135 42.063 42.059 -0.219 0.000 1.133 317 L HN 0.524 nan 8.230 nan 0.000 0.504 318 D N -1.878 118.177 120.400 -0.575 0.000 2.766 318 D HA 0.105 4.718 4.640 -0.044 0.000 0.244 318 D C -1.388 174.797 176.300 -0.192 0.000 1.198 318 D CA -0.560 53.300 54.000 -0.234 0.000 0.739 318 D CB 0.812 41.587 40.800 -0.042 0.000 1.379 318 D HN 0.210 nan 8.370 nan 0.000 0.437 319 N N 1.546 120.259 118.700 0.022 0.000 2.725 319 N HA -0.171 4.543 4.740 -0.044 0.000 0.251 319 N C 1.013 176.538 175.510 0.026 0.000 1.031 319 N CA 1.663 54.740 53.050 0.046 0.000 0.720 319 N CB -1.454 37.042 38.487 0.015 0.000 0.930 319 N HN 1.033 nan 8.380 nan 0.000 0.543 320 G N -2.477 106.385 108.800 0.103 0.000 2.220 320 G HA2 -0.376 3.558 3.960 -0.044 0.000 0.269 320 G HA3 -0.376 3.558 3.960 -0.044 0.000 0.269 320 G C 0.167 175.054 174.900 -0.022 0.000 0.977 320 G CA 0.466 45.640 45.100 0.123 0.000 0.634 320 G HN 0.548 nan 8.290 nan 0.000 0.539 321 V N 1.170 120.973 119.914 -0.185 0.000 2.508 321 V HA 0.488 4.581 4.120 -0.044 0.000 0.281 321 V C 0.680 176.623 176.094 -0.251 0.000 1.041 321 V CA -0.308 61.892 62.300 -0.167 0.000 1.016 321 V CB 1.561 33.306 31.823 -0.130 0.000 0.984 321 V HN 0.281 nan 8.190 nan 0.000 0.478 322 V N 5.901 125.773 119.914 -0.070 0.000 2.495 322 V HA 0.409 4.503 4.120 -0.044 0.000 0.298 322 V C -0.431 175.709 176.094 0.077 0.000 1.031 322 V CA -0.655 61.650 62.300 0.008 0.000 0.871 322 V CB 1.691 33.558 31.823 0.074 0.000 0.988 322 V HN 0.706 nan 8.190 nan 0.000 0.432 323 F N 5.641 125.574 119.950 -0.028 0.000 2.420 323 F HA 0.614 5.113 4.527 -0.046 0.000 0.352 323 F C -0.127 175.687 175.800 0.023 0.000 1.108 323 F CA -0.332 57.667 58.000 -0.001 0.000 1.162 323 F CB 1.201 40.178 39.000 -0.037 0.000 1.118 323 F HN 0.255 nan 8.300 nan 0.000 0.510 324 V N 6.448 125.894 119.914 -0.780 0.000 2.311 324 V HA 0.445 4.539 4.120 -0.044 0.000 0.275 324 V C 0.508 176.021 176.094 -0.968 0.000 1.022 324 V CA -0.623 61.307 62.300 -0.617 0.000 0.830 324 V CB 0.863 32.511 31.823 -0.292 0.000 1.012 324 V HN 0.991 nan 8.190 nan 0.000 0.452 325 G N 2.795 111.187 108.800 -0.680 0.000 2.327 325 G HA2 0.458 4.392 3.960 -0.044 0.000 0.302 325 G HA3 0.458 4.392 3.960 -0.044 0.000 0.302 325 G C -0.210 174.610 174.900 -0.132 0.000 1.113 325 G CA -0.153 44.749 45.100 -0.329 0.000 0.921 325 G HN 0.624 nan 8.290 nan 0.000 0.425 326 S N 1.644 117.293 115.700 -0.086 0.000 2.472 326 S HA 0.427 4.871 4.470 -0.044 0.000 0.303 326 S C 1.168 175.767 174.600 -0.001 0.000 1.099 326 S CA -0.831 57.347 58.200 -0.036 0.000 1.077 326 S CB 1.467 64.644 63.200 -0.037 0.000 1.031 326 S HN 0.620 nan 8.310 nan 0.000 0.487 327 R N 2.770 123.275 120.500 0.008 0.000 2.206 327 R HA 0.321 4.635 4.340 -0.044 0.000 0.198 327 R C 1.123 177.429 176.300 0.010 0.000 0.986 327 R CA 0.544 56.651 56.100 0.012 0.000 1.029 327 R CB -0.013 30.296 30.300 0.014 0.000 0.966 327 R HN 0.584 nan 8.270 nan 0.000 0.487 328 L N -0.416 120.819 121.223 0.021 0.000 2.607 328 L HA 0.295 4.609 4.340 -0.044 0.000 0.228 328 L C 0.851 177.721 176.870 -0.001 0.000 1.123 328 L CA -0.221 54.631 54.840 0.020 0.000 0.890 328 L CB 0.809 42.919 42.059 0.085 0.000 1.103 328 L HN 0.164 nan 8.230 nan 0.000 0.468 329 G N -1.793 107.004 108.800 -0.005 0.000 2.554 329 G HA2 0.188 4.122 3.960 -0.044 0.000 0.306 329 G HA3 0.188 4.122 3.960 -0.044 0.000 0.306 329 G C -1.741 173.150 174.900 -0.015 0.000 1.320 329 G CA -0.672 44.415 45.100 -0.020 0.000 0.800 329 G HN -0.224 nan 8.290 nan 0.000 0.481 330 D N 0.715 121.102 120.400 -0.023 0.000 2.488 330 D HA 0.387 5.001 4.640 -0.044 0.000 0.238 330 D C 0.735 177.038 176.300 0.005 0.000 1.138 330 D CA 0.631 54.629 54.000 -0.004 0.000 0.873 330 D CB 1.193 41.975 40.800 -0.030 0.000 1.183 330 D HN 0.197 nan 8.370 nan 0.000 0.458 331 S N 1.357 117.101 115.700 0.074 0.000 2.632 331 S HA 0.310 4.753 4.470 -0.044 0.000 0.267 331 S C 0.160 174.826 174.600 0.109 0.000 1.276 331 S CA -0.572 57.667 58.200 0.065 0.000 0.998 331 S CB 1.002 64.301 63.200 0.164 0.000 0.953 331 S HN 0.312 nan 8.310 nan 0.000 0.547 332 Q N 0.420 120.208 119.800 -0.020 0.000 2.379 332 Q HA 0.515 4.829 4.340 -0.044 0.000 0.278 332 Q C -1.813 174.216 176.000 0.048 0.000 1.068 332 Q CA -0.843 54.926 55.803 -0.057 0.000 0.816 332 Q CB 2.042 30.711 28.738 -0.115 0.000 1.387 332 Q HN 0.324 nan 8.270 nan 0.000 0.413 333 L N 2.007 123.273 121.223 0.072 0.000 2.296 333 L HA 0.610 4.924 4.340 -0.044 0.000 0.286 333 L C -1.228 175.650 176.870 0.013 0.000 1.023 333 L CA -0.480 54.445 54.840 0.141 0.000 0.812 333 L CB 1.704 43.883 42.059 0.201 0.000 1.223 333 L HN 0.461 nan 8.230 nan 0.000 0.421 334 V N 4.102 124.025 119.914 0.013 0.000 2.914 334 V HA 0.641 4.735 4.120 -0.044 0.000 0.314 334 V C -0.761 175.335 176.094 0.003 0.000 1.084 334 V CA -0.862 61.433 62.300 -0.007 0.000 0.963 334 V CB 2.538 34.350 31.823 -0.017 0.000 1.025 334 V HN 0.751 nan 8.190 nan 0.000 0.432 335 K N 3.656 124.061 120.400 0.008 0.000 2.270 335 K HA 0.648 4.942 4.320 -0.044 0.000 0.255 335 K C -1.474 175.155 176.600 0.048 0.000 0.936 335 K CA -0.310 55.989 56.287 0.020 0.000 0.809 335 K CB 1.454 33.962 32.500 0.013 0.000 1.131 335 K HN 0.550 nan 8.250 nan 0.000 0.427 336 L N 4.633 125.899 121.223 0.072 0.000 2.321 336 L HA 0.405 4.719 4.340 -0.044 0.000 0.272 336 L C -0.351 176.582 176.870 0.104 0.000 1.050 336 L CA -0.914 53.987 54.840 0.101 0.000 0.893 336 L CB 0.654 42.780 42.059 0.111 0.000 1.272 336 L HN 0.568 nan 8.230 nan 0.000 0.435 337 N N 1.022 119.795 118.700 0.123 0.000 2.525 337 N HA 0.048 4.761 4.740 -0.044 0.000 0.271 337 N C 1.194 176.821 175.510 0.195 0.000 1.194 337 N CA -0.218 52.907 53.050 0.125 0.000 0.964 337 N CB 2.242 40.787 38.487 0.098 0.000 1.126 337 N HN 0.407 nan 8.380 nan 0.000 0.452 338 V N -1.834 118.164 119.914 0.139 0.000 3.305 338 V HA 0.065 4.159 4.120 -0.044 0.000 0.269 338 V C 0.082 176.340 176.094 0.274 0.000 1.157 338 V CA 0.952 63.337 62.300 0.140 0.000 1.157 338 V CB -0.601 31.261 31.823 0.064 0.000 0.772 338 V HN 0.367 nan 8.190 nan 0.000 0.498 339 D N 1.329 121.868 120.400 0.231 0.000 2.217 339 D HA 0.534 5.148 4.640 -0.044 0.000 0.243 339 D C 0.052 176.342 176.300 -0.016 0.000 1.054 339 D CA 0.161 54.244 54.000 0.140 0.000 0.838 339 D CB 1.640 42.472 40.800 0.053 0.000 1.162 339 D HN 0.541 nan 8.370 nan 0.000 0.472 340 S N 1.948 117.469 115.700 -0.298 0.000 2.523 340 S HA 0.317 4.761 4.470 -0.044 0.000 0.275 340 S C 0.409 174.833 174.600 -0.293 0.000 1.281 340 S CA -1.011 56.799 58.200 -0.650 0.000 1.050 340 S CB 0.839 63.460 63.200 -0.966 0.000 0.937 340 S HN 0.502 nan 8.310 nan 0.000 0.492 341 N N 2.028 120.585 118.700 -0.238 0.000 2.332 341 N HA 0.109 4.823 4.740 -0.044 0.000 0.282 341 N C 0.837 176.271 175.510 -0.127 0.000 1.288 341 N CA -0.468 52.499 53.050 -0.138 0.000 0.949 341 N CB -0.235 38.190 38.487 -0.103 0.000 1.108 341 N HN 0.634 nan 8.380 nan 0.000 0.542 342 E N -0.798 119.349 120.200 -0.089 0.000 2.130 342 E HA -0.197 4.127 4.350 -0.044 0.000 0.196 342 E C 1.290 177.842 176.600 -0.079 0.000 0.998 342 E CA 1.365 57.721 56.400 -0.074 0.000 0.806 342 E CB -0.147 29.519 29.700 -0.056 0.000 0.738 342 E HN 0.580 nan 8.360 nan 0.000 0.459 343 Q N -0.882 118.864 119.800 -0.089 0.000 2.432 343 Q HA 0.082 4.396 4.340 -0.044 0.000 0.205 343 Q C 1.257 177.195 176.000 -0.103 0.000 0.945 343 Q CA 0.837 56.589 55.803 -0.085 0.000 0.924 343 Q CB 0.667 29.358 28.738 -0.079 0.000 1.016 343 Q HN 0.408 nan 8.270 nan 0.000 0.503 344 G N 1.302 110.014 108.800 -0.147 0.000 2.130 344 G HA2 -0.219 3.715 3.960 -0.044 0.000 0.216 344 G HA3 -0.219 3.715 3.960 -0.044 0.000 0.216 344 G C -0.057 174.669 174.900 -0.289 0.000 0.999 344 G CA 0.427 45.408 45.100 -0.198 0.000 0.686 344 G HN 0.328 nan 8.290 nan 0.000 0.515 345 S N -0.943 114.586 115.700 -0.284 0.000 2.472 345 S HA 0.697 5.141 4.470 -0.044 0.000 0.303 345 S C 0.873 175.287 174.600 -0.311 0.000 1.099 345 S CA -0.562 57.496 58.200 -0.237 0.000 1.077 345 S CB 0.938 64.070 63.200 -0.115 0.000 1.031 345 S HN 0.333 nan 8.310 nan 0.000 0.487 346 Y N 2.815 123.098 120.300 -0.028 0.000 2.466 346 Y HA 0.294 4.828 4.550 -0.027 0.000 0.272 346 Y C 0.450 176.341 175.900 -0.015 0.000 1.169 346 Y CA -0.230 57.861 58.100 -0.016 0.000 1.285 346 Y CB 0.369 38.825 38.460 -0.008 0.000 1.078 346 Y HN 0.351 nan 8.280 nan 0.000 0.523 347 V N 1.279 121.238 119.914 0.074 0.000 2.427 347 V HA 0.436 4.530 4.120 -0.044 0.000 0.286 347 V C -0.457 175.638 176.094 0.002 0.000 1.034 347 V CA -1.014 61.309 62.300 0.038 0.000 0.893 347 V CB 1.722 33.553 31.823 0.013 0.000 0.982 347 V HN -0.126 nan 8.190 nan 0.000 0.452 348 V N 4.675 124.590 119.914 0.002 0.000 2.623 348 V HA 0.861 4.955 4.120 -0.044 0.000 0.304 348 V C 0.159 176.240 176.094 -0.022 0.000 1.054 348 V CA -0.405 61.886 62.300 -0.015 0.000 0.882 348 V CB 1.745 33.560 31.823 -0.013 0.000 1.002 348 V HN 1.133 nan 8.190 nan 0.000 0.424 349 A N 6.770 129.568 122.820 -0.036 0.000 2.454 349 A HA 0.539 4.833 4.320 -0.044 0.000 0.260 349 A C 0.622 178.170 177.584 -0.061 0.000 1.106 349 A CA -0.088 51.917 52.037 -0.054 0.000 0.780 349 A CB 0.569 19.527 19.000 -0.070 0.000 1.044 349 A HN 1.019 nan 8.150 nan 0.000 0.498 350 M N 0.976 120.538 119.600 -0.063 0.000 2.299 350 M HA 0.109 4.563 4.480 -0.044 0.000 0.264 350 M C 0.467 176.698 176.300 -0.114 0.000 1.095 350 M CA 1.397 56.659 55.300 -0.063 0.000 1.165 350 M CB 0.146 32.725 32.600 -0.034 0.000 1.349 350 M HN 0.747 nan 8.290 nan 0.000 0.446 351 E N -0.585 119.503 120.200 -0.187 0.000 2.314 351 E HA 0.347 4.671 4.350 -0.044 0.000 0.272 351 E C -1.294 174.952 176.600 -0.589 0.000 0.884 351 E CA -0.430 55.738 56.400 -0.387 0.000 0.753 351 E CB 2.614 32.042 29.700 -0.453 0.000 1.213 351 E HN -0.077 nan 8.360 nan 0.000 0.432 352 T N 2.103 116.282 114.554 -0.624 0.000 2.823 352 T HA 0.519 4.842 4.350 -0.044 0.000 0.279 352 T C -1.017 173.273 174.700 -0.683 0.000 0.998 352 T CA -0.456 61.334 62.100 -0.517 0.000 0.994 352 T CB 0.321 69.042 68.868 -0.245 0.000 0.960 352 T HN 0.212 nan 8.240 nan 0.000 0.448 353 F N 1.393 121.337 119.950 -0.009 0.000 2.477 353 F HA 0.323 4.823 4.527 -0.045 0.000 0.335 353 F C 1.088 176.882 175.800 -0.010 0.000 1.130 353 F CA -1.088 56.917 58.000 0.007 0.000 0.948 353 F CB 1.315 40.346 39.000 0.052 0.000 1.154 353 F HN 0.350 nan 8.300 nan 0.000 0.439 354 T N 2.599 117.237 114.554 0.140 0.000 2.871 354 T HA -0.033 4.291 4.350 -0.044 0.000 0.296 354 T C -0.162 174.571 174.700 0.056 0.000 0.998 354 T CA 0.388 62.518 62.100 0.051 0.000 1.162 354 T CB -0.178 68.700 68.868 0.016 0.000 0.947 354 T HN 0.455 nan 8.240 nan 0.000 0.536 355 N N 3.321 122.033 118.700 0.019 0.000 2.504 355 N HA 0.265 4.978 4.740 -0.044 0.000 0.280 355 N C 0.498 175.995 175.510 -0.022 0.000 1.052 355 N CA -0.615 52.440 53.050 0.010 0.000 0.887 355 N CB 0.737 39.235 38.487 0.018 0.000 1.323 355 N HN 0.439 nan 8.380 nan 0.000 0.509 356 L N 1.049 122.258 121.223 -0.024 0.000 2.418 356 L HA 0.322 4.636 4.340 -0.044 0.000 0.218 356 L C 1.404 178.252 176.870 -0.037 0.000 1.125 356 L CA 0.101 54.916 54.840 -0.042 0.000 0.835 356 L CB -0.261 41.773 42.059 -0.041 0.000 0.953 356 L HN 0.501 nan 8.230 nan 0.000 0.454 357 G N 0.148 108.935 108.800 -0.022 0.000 2.425 357 G HA2 0.442 4.376 3.960 -0.044 0.000 0.302 357 G HA3 0.442 4.376 3.960 -0.044 0.000 0.302 357 G C -2.746 172.138 174.900 -0.027 0.000 1.159 357 G CA -1.043 44.047 45.100 -0.016 0.000 0.865 357 G HN -0.136 nan 8.290 nan 0.000 0.515 358 P HA 0.232 nan 4.420 nan 0.000 0.281 358 P C -0.176 177.110 177.300 -0.023 0.000 1.252 358 P CA -0.295 62.794 63.100 -0.020 0.000 0.778 358 P CB 1.004 32.687 31.700 -0.029 0.000 0.895 359 I N 3.598 124.165 120.570 -0.004 0.000 2.406 359 I HA 0.003 4.147 4.170 -0.044 0.000 0.293 359 I C 1.517 177.642 176.117 0.013 0.000 1.101 359 I CA 0.248 61.543 61.300 -0.008 0.000 1.334 359 I CB 0.617 38.612 38.000 -0.007 0.000 1.421 359 I HN 0.190 nan 8.210 nan 0.000 0.513 360 V N 4.992 124.908 119.914 0.003 0.000 3.354 360 V HA 0.122 4.215 4.120 -0.044 0.000 0.258 360 V C -0.037 176.084 176.094 0.045 0.000 1.159 360 V CA 1.147 63.464 62.300 0.028 0.000 1.125 360 V CB -0.026 31.798 31.823 0.003 0.000 0.774 360 V HN 0.899 nan 8.190 nan 0.000 0.464 361 D N -0.659 119.759 120.400 0.029 0.000 2.783 361 D HA 0.402 5.016 4.640 -0.044 0.000 0.253 361 D C -0.938 175.381 176.300 0.030 0.000 1.206 361 D CA -0.333 53.695 54.000 0.046 0.000 0.740 361 D CB 1.336 42.177 40.800 0.068 0.000 1.313 361 D HN 0.180 nan 8.370 nan 0.000 0.427 362 M N 0.237 119.867 119.600 0.051 0.000 2.732 362 M HA 0.721 5.175 4.480 -0.044 0.000 0.272 362 M C -1.646 174.709 176.300 0.091 0.000 1.203 362 M CA -0.797 54.530 55.300 0.045 0.000 0.841 362 M CB 1.916 34.527 32.600 0.018 0.000 1.685 362 M HN 0.770 nan 8.290 nan 0.000 0.492 363 C N 0.011 119.373 119.300 0.103 0.000 3.086 363 C HA 0.900 5.334 4.460 -0.044 0.000 0.311 363 C C -0.793 174.276 174.990 0.132 0.000 1.260 363 C CA -0.759 58.351 59.018 0.152 0.000 1.426 363 C CB 1.380 29.263 27.740 0.238 0.000 1.826 363 C HN 0.799 nan 8.230 nan 0.000 0.474 364 V N 2.381 122.371 119.914 0.127 0.000 2.370 364 V HA 0.675 4.769 4.120 -0.044 0.000 0.279 364 V C -0.169 175.971 176.094 0.077 0.000 1.029 364 V CA -0.104 62.252 62.300 0.094 0.000 0.870 364 V CB 1.218 33.094 31.823 0.088 0.000 0.984 364 V HN 0.833 nan 8.190 nan 0.000 0.451 365 V N 3.432 123.367 119.914 0.036 0.000 2.638 365 V HA 0.360 4.454 4.120 -0.044 0.000 0.306 365 V C -0.257 175.810 176.094 -0.044 0.000 1.052 365 V CA -0.674 61.581 62.300 -0.075 0.000 0.885 365 V CB 2.207 33.877 31.823 -0.255 0.000 0.999 365 V HN 0.832 nan 8.190 nan 0.000 0.424 366 D N 4.206 124.580 120.400 -0.042 0.000 2.551 366 D HA 0.213 4.827 4.640 -0.044 0.000 0.223 366 D C 0.784 177.074 176.300 -0.017 0.000 1.144 366 D CA 0.294 54.290 54.000 -0.006 0.000 1.025 366 D CB 0.378 41.187 40.800 0.015 0.000 1.085 366 D HN 0.451 nan 8.370 nan 0.000 0.506 367 L N 1.387 122.607 121.223 -0.005 0.000 1.890 367 L HA -0.078 4.236 4.340 -0.044 0.000 0.219 367 L C 2.392 179.306 176.870 0.074 0.000 1.104 367 L CA 0.612 55.463 54.840 0.018 0.000 0.792 367 L CB -0.284 41.829 42.059 0.089 0.000 0.887 367 L HN 0.285 nan 8.230 nan 0.000 0.432 368 E N -0.106 120.157 120.200 0.106 0.000 1.983 368 E HA -0.213 4.111 4.350 -0.044 0.000 0.208 368 E C 1.850 178.500 176.600 0.083 0.000 1.006 368 E CA 1.483 57.952 56.400 0.116 0.000 0.872 368 E CB -0.052 29.715 29.700 0.112 0.000 0.806 368 E HN 0.293 nan 8.360 nan 0.000 0.510 369 R N -0.111 120.425 120.500 0.061 0.000 0.642 369 R HA 0.105 4.419 4.340 -0.044 0.000 0.048 369 R C 0.573 176.897 176.300 0.039 0.000 0.504 369 R CA 0.310 56.437 56.100 0.045 0.000 2.167 369 R CB 0.114 30.434 30.300 0.033 0.000 0.523 369 R HN 0.142 nan 8.270 nan 0.000 0.801 370 Q N -1.541 118.277 119.800 0.029 0.000 2.435 370 Q HA 0.247 4.561 4.340 -0.044 0.000 0.282 370 Q C -0.262 175.751 176.000 0.020 0.000 1.020 370 Q CA 0.162 55.981 55.803 0.026 0.000 0.820 370 Q CB 2.146 30.898 28.738 0.023 0.000 1.436 370 Q HN 0.795 nan 8.270 nan 0.000 0.395 371 G N 1.013 109.825 108.800 0.019 0.000 2.187 371 G HA2 -0.367 3.567 3.960 -0.044 0.000 0.261 371 G HA3 -0.367 3.567 3.960 -0.044 0.000 0.261 371 G C 0.565 175.475 174.900 0.016 0.000 1.000 371 G CA 1.568 46.677 45.100 0.016 0.000 0.718 371 G HN 0.515 nan 8.290 nan 0.000 0.519 372 Q N -0.548 119.264 119.800 0.020 0.000 2.141 372 Q HA 0.507 4.820 4.340 -0.044 0.000 0.207 372 Q C 1.174 177.190 176.000 0.026 0.000 0.996 372 Q CA 1.117 56.933 55.803 0.021 0.000 0.850 372 Q CB 0.490 29.243 28.738 0.025 0.000 0.952 372 Q HN 1.814 nan 8.270 nan 0.000 0.512 373 G N 1.138 109.956 108.800 0.030 0.000 3.367 373 G HA2 -0.088 3.846 3.960 -0.044 0.000 0.686 373 G HA3 -0.088 3.846 3.960 -0.044 0.000 0.686 373 G C -1.403 173.521 174.900 0.039 0.000 1.146 373 G CA -0.529 44.592 45.100 0.034 0.000 0.913 373 G HN 0.313 nan 8.290 nan 0.000 0.554 374 Q N 0.852 120.678 119.800 0.043 0.000 2.372 374 Q HA 0.593 4.907 4.340 -0.044 0.000 0.273 374 Q C -0.131 175.896 176.000 0.044 0.000 1.078 374 Q CA -0.946 54.886 55.803 0.047 0.000 0.806 374 Q CB 2.865 31.642 28.738 0.065 0.000 1.332 374 Q HN 0.594 nan 8.270 nan 0.000 0.435 375 L N 2.308 123.546 121.223 0.025 0.000 2.331 375 L HA 0.395 4.709 4.340 -0.044 0.000 0.278 375 L C -0.696 176.160 176.870 -0.025 0.000 1.106 375 L CA -0.625 54.221 54.840 0.010 0.000 0.824 375 L CB 1.048 43.102 42.059 -0.007 0.000 1.142 375 L HN 0.329 nan 8.230 nan 0.000 0.443 376 V N 2.042 121.934 119.914 -0.036 0.000 2.409 376 V HA 0.405 4.499 4.120 -0.044 0.000 0.291 376 V C 0.221 176.246 176.094 -0.114 0.000 1.020 376 V CA -0.632 61.583 62.300 -0.141 0.000 0.848 376 V CB 1.647 33.276 31.823 -0.322 0.000 0.990 376 V HN 0.844 nan 8.190 nan 0.000 0.430 377 T N 0.875 115.352 114.554 -0.127 0.000 2.888 377 T HA 0.456 4.779 4.350 -0.044 0.000 0.284 377 T C -0.311 174.330 174.700 -0.097 0.000 1.017 377 T CA -0.604 61.444 62.100 -0.087 0.000 1.022 377 T CB 1.378 70.200 68.868 -0.077 0.000 1.013 377 T HN 0.560 nan 8.240 nan 0.000 0.465 378 C N 3.305 122.568 119.300 -0.062 0.000 2.281 378 C HA 0.692 5.126 4.460 -0.044 0.000 0.336 378 C C 0.615 175.563 174.990 -0.070 0.000 1.217 378 C CA -0.294 58.684 59.018 -0.066 0.000 1.730 378 C CB -1.155 26.563 27.740 -0.036 0.000 2.338 378 C HN 0.946 nan 8.230 nan 0.000 0.521 379 S N 1.859 117.502 115.700 -0.094 0.000 2.526 379 S HA 0.880 5.324 4.470 -0.044 0.000 0.293 379 S C 0.288 174.822 174.600 -0.110 0.000 1.092 379 S CA 0.550 58.695 58.200 -0.093 0.000 0.980 379 S CB 1.724 64.866 63.200 -0.097 0.000 1.048 379 S HN 1.459 nan 8.310 nan 0.000 0.483 380 G N 1.515 110.253 108.800 -0.102 0.000 2.632 380 G HA2 0.377 4.311 3.960 -0.044 0.000 0.224 380 G HA3 0.377 4.311 3.960 -0.044 0.000 0.224 380 G C -0.478 174.311 174.900 -0.185 0.000 1.341 380 G CA -0.190 44.840 45.100 -0.116 0.000 0.880 380 G HN 1.690 nan 8.290 nan 0.000 0.566 381 A N -1.841 120.843 122.820 -0.225 0.000 2.605 381 A HA 0.994 5.287 4.320 -0.044 0.000 0.294 381 A C 0.167 177.531 177.584 -0.366 0.000 1.062 381 A CA 0.479 52.213 52.037 -0.504 0.000 0.682 381 A CB 0.268 18.801 19.000 -0.779 0.000 1.278 381 A HN 2.410 nan 8.150 nan 0.000 0.410 382 F N -0.128 119.803 119.950 -0.032 0.000 2.157 382 F HA -0.418 4.083 4.527 -0.043 0.000 0.312 382 F C 2.159 177.954 175.800 -0.009 0.000 0.144 382 F CA 1.610 59.599 58.000 -0.020 0.000 0.896 382 F CB -0.747 38.248 39.000 -0.007 0.000 4.054 382 F HN 0.840 nan 8.300 nan 0.000 0.189 383 K N 0.486 121.035 120.400 0.248 0.000 2.442 383 K HA -0.155 4.139 4.320 -0.044 0.000 0.199 383 K C 1.139 177.803 176.600 0.108 0.000 1.044 383 K CA 2.179 58.574 56.287 0.179 0.000 0.941 383 K CB -0.228 32.369 32.500 0.162 0.000 0.759 383 K HN 0.522 nan 8.250 nan 0.000 0.472 384 E N 0.870 121.105 120.200 0.058 0.000 2.481 384 E HA 0.164 4.488 4.350 -0.044 0.000 0.198 384 E C 0.117 176.655 176.600 -0.102 0.000 1.027 384 E CA -0.066 56.323 56.400 -0.019 0.000 0.900 384 E CB 0.558 30.270 29.700 0.021 0.000 0.993 384 E HN 0.462 nan 8.360 nan 0.000 0.482 385 G N 0.376 109.104 108.800 -0.122 0.000 2.441 385 G HA2 0.361 4.295 3.960 -0.044 0.000 0.243 385 G HA3 0.361 4.295 3.960 -0.044 0.000 0.243 385 G C -0.138 174.640 174.900 -0.204 0.000 1.281 385 G CA 0.383 45.387 45.100 -0.160 0.000 0.854 385 G HN 0.190 nan 8.290 nan 0.000 0.560 386 S N 0.869 116.460 115.700 -0.181 0.000 2.643 386 S HA 0.676 5.120 4.470 -0.044 0.000 0.270 386 S C -0.932 173.566 174.600 -0.169 0.000 1.166 386 S CA -1.037 57.045 58.200 -0.198 0.000 0.815 386 S CB 1.221 64.299 63.200 -0.204 0.000 1.139 386 S HN 0.547 nan 8.310 nan 0.000 0.472 387 L N 1.160 122.271 121.223 -0.188 0.000 2.331 387 L HA 0.705 5.019 4.340 -0.044 0.000 0.275 387 L C -0.134 176.590 176.870 -0.243 0.000 1.022 387 L CA -1.007 53.709 54.840 -0.206 0.000 0.812 387 L CB 1.329 43.253 42.059 -0.226 0.000 1.257 387 L HN 0.576 nan 8.230 nan 0.000 0.435 388 R N 2.943 123.308 120.500 -0.224 0.000 2.534 388 R HA 0.586 4.900 4.340 -0.044 0.000 0.301 388 R C -1.190 174.971 176.300 -0.231 0.000 0.961 388 R CA -0.826 55.142 56.100 -0.219 0.000 0.871 388 R CB 2.078 32.285 30.300 -0.154 0.000 1.170 388 R HN 0.400 nan 8.270 nan 0.000 0.446 389 I N 3.940 124.355 120.570 -0.258 0.000 2.354 389 I HA 0.417 4.561 4.170 -0.044 0.000 0.292 389 I C 0.090 176.147 176.117 -0.101 0.000 0.989 389 I CA -0.259 60.927 61.300 -0.189 0.000 1.188 389 I CB 1.132 38.991 38.000 -0.235 0.000 1.342 389 I HN 0.400 nan 8.210 nan 0.000 0.457 390 I N 6.293 126.834 120.570 -0.049 0.000 2.433 390 I HA 0.599 4.743 4.170 -0.044 0.000 0.292 390 I C -0.160 175.976 176.117 0.032 0.000 1.001 390 I CA -0.568 60.724 61.300 -0.014 0.000 1.119 390 I CB 1.530 39.514 38.000 -0.026 0.000 1.289 390 I HN 0.542 nan 8.210 nan 0.000 0.438 391 R N 5.479 126.022 120.500 0.070 0.000 2.604 391 R HA 0.392 4.706 4.340 -0.044 0.000 0.281 391 R C -1.248 175.100 176.300 0.079 0.000 1.020 391 R CA -0.660 55.488 56.100 0.079 0.000 0.899 391 R CB 1.635 31.996 30.300 0.101 0.000 1.205 391 R HN 0.706 nan 8.270 nan 0.000 0.450 392 N N 1.463 120.195 118.700 0.053 0.000 2.454 392 N HA 0.180 4.894 4.740 -0.044 0.000 0.254 392 N C 0.117 175.646 175.510 0.033 0.000 1.228 392 N CA 1.707 54.783 53.050 0.043 0.000 0.900 392 N CB 0.728 39.231 38.487 0.027 0.000 1.089 392 N HN 0.858 nan 8.380 nan 0.000 0.449 393 G N 1.312 110.132 108.800 0.032 0.000 2.855 393 G HA2 -0.248 3.686 3.960 -0.044 0.000 0.352 393 G HA3 -0.248 3.686 3.960 -0.044 0.000 0.352 393 G C -0.497 174.399 174.900 -0.007 0.000 1.415 393 G CA -0.764 44.341 45.100 0.008 0.000 0.871 393 G HN 0.537 nan 8.290 nan 0.000 0.543 394 I N 1.438 121.986 120.570 -0.036 0.000 2.353 394 I HA 0.579 4.723 4.170 -0.044 0.000 0.293 394 I C 1.183 177.242 176.117 -0.097 0.000 0.992 394 I CA -0.022 61.242 61.300 -0.060 0.000 1.268 394 I CB 1.557 39.526 38.000 -0.051 0.000 1.387 394 I HN 0.811 nan 8.210 nan 0.000 0.478 395 G N 6.785 115.483 108.800 -0.170 0.000 2.417 395 G HA2 0.633 4.567 3.960 -0.044 0.000 0.334 395 G HA3 0.633 4.567 3.960 -0.044 0.000 0.334 395 G C -0.628 174.069 174.900 -0.338 0.000 1.150 395 G CA -0.431 44.533 45.100 -0.226 0.000 0.923 395 G HN 0.530 nan 8.290 nan 0.000 0.485 396 I N -0.384 120.008 120.570 -0.296 0.000 2.562 396 I HA 0.521 4.665 4.170 -0.044 0.000 0.301 396 I C -1.199 174.704 176.117 -0.357 0.000 1.003 396 I CA -1.088 60.025 61.300 -0.313 0.000 1.127 396 I CB 1.772 39.703 38.000 -0.114 0.000 1.304 396 I HN 0.416 nan 8.210 nan 0.000 0.446 397 H N 5.196 124.306 119.070 0.066 0.000 2.623 397 H HA 0.398 4.928 4.556 -0.044 0.000 0.299 397 H C -0.635 174.804 175.328 0.185 0.000 1.052 397 H CA -0.512 55.599 56.048 0.104 0.000 1.231 397 H CB 0.659 30.513 29.762 0.152 0.000 1.389 397 H HN 0.588 nan 8.280 nan 0.000 0.469 398 E N 1.965 122.271 120.200 0.178 0.000 2.299 398 E HA 0.011 4.335 4.350 -0.044 0.000 0.272 398 E C 0.040 176.719 176.600 0.132 0.000 1.043 398 E CA 0.103 56.589 56.400 0.144 0.000 0.895 398 E CB 0.769 30.505 29.700 0.059 0.000 1.011 398 E HN 0.614 nan 8.360 nan 0.000 0.432 399 H N 0.999 120.142 119.070 0.121 0.000 2.827 399 H HA 0.376 4.905 4.556 -0.044 0.000 0.269 399 H C -0.395 175.064 175.328 0.218 0.000 1.031 399 H CA 0.329 56.490 56.048 0.189 0.000 1.202 399 H CB 1.160 31.105 29.762 0.305 0.000 1.511 399 H HN 0.488 nan 8.280 nan 0.000 0.517 400 A N -0.394 122.555 122.820 0.215 0.000 2.589 400 A HA 0.653 4.947 4.320 -0.044 0.000 0.296 400 A C -1.105 176.506 177.584 0.044 0.000 1.062 400 A CA -0.529 51.584 52.037 0.127 0.000 0.686 400 A CB 1.627 20.676 19.000 0.081 0.000 1.282 400 A HN 0.013 nan 8.150 nan 0.000 0.404 401 S N 1.412 117.133 115.700 0.036 0.000 2.649 401 S HA 0.640 5.084 4.470 -0.044 0.000 0.274 401 S C -1.376 173.236 174.600 0.020 0.000 1.176 401 S CA -0.551 57.659 58.200 0.017 0.000 0.988 401 S CB 0.365 63.576 63.200 0.019 0.000 1.071 401 S HN 0.693 nan 8.310 nan 0.000 0.478 402 I N 3.498 124.077 120.570 0.015 0.000 2.465 402 I HA 0.415 4.559 4.170 -0.044 0.000 0.291 402 I C -0.688 175.447 176.117 0.031 0.000 1.014 402 I CA -0.795 60.520 61.300 0.025 0.000 1.093 402 I CB 1.770 39.787 38.000 0.028 0.000 1.267 402 I HN 0.543 nan 8.210 nan 0.000 0.431 403 D N 7.366 127.786 120.400 0.034 0.000 2.338 403 D HA 0.438 5.052 4.640 -0.044 0.000 0.255 403 D C -0.250 176.085 176.300 0.057 0.000 1.237 403 D CA 0.302 54.326 54.000 0.039 0.000 0.883 403 D CB 1.382 42.200 40.800 0.031 0.000 1.087 403 D HN 0.340 nan 8.370 nan 0.000 0.485 404 L N 4.799 126.070 121.223 0.080 0.000 2.568 404 L HA 0.245 4.559 4.340 -0.044 0.000 0.262 404 L C -2.423 174.547 176.870 0.167 0.000 0.980 404 L CA -1.602 53.320 54.840 0.137 0.000 0.882 404 L CB 2.816 44.989 42.059 0.191 0.000 1.198 404 L HN 0.094 nan 8.230 nan 0.000 0.425 405 P HA 0.149 nan 4.420 nan 0.000 0.274 405 P C 0.666 178.117 177.300 0.251 0.000 1.237 405 P CA 0.304 63.495 63.100 0.151 0.000 0.793 405 P CB 1.019 32.779 31.700 0.100 0.000 0.977 406 G N 1.366 110.288 108.800 0.204 0.000 2.341 406 G HA2 -0.256 3.678 3.960 -0.044 0.000 0.292 406 G HA3 -0.256 3.678 3.960 -0.044 0.000 0.292 406 G C 0.166 175.216 174.900 0.250 0.000 1.021 406 G CA -0.150 45.092 45.100 0.238 0.000 0.905 406 G HN 0.482 nan 8.290 nan 0.000 0.508 407 I N -0.513 120.099 120.570 0.071 0.000 2.588 407 I HA 0.195 4.339 4.170 -0.044 0.000 0.283 407 I C 1.177 177.161 176.117 -0.222 0.000 1.119 407 I CA 0.049 61.169 61.300 -0.300 0.000 1.419 407 I CB 0.923 38.767 38.000 -0.260 0.000 1.394 407 I HN -0.065 nan 8.210 nan 0.000 0.562 408 K N 4.095 124.220 120.400 -0.458 0.000 2.483 408 K HA 0.379 4.672 4.320 -0.044 0.000 0.206 408 K C 0.019 176.034 176.600 -0.976 0.000 1.086 408 K CA -0.089 55.891 56.287 -0.512 0.000 1.052 408 K CB 1.519 33.955 32.500 -0.106 0.000 0.904 408 K HN 0.880 nan 8.250 nan 0.000 0.557 409 G N 0.874 109.053 108.800 -1.036 0.000 2.498 409 G HA2 0.406 4.340 3.960 -0.044 0.000 0.301 409 G HA3 0.406 4.340 3.960 -0.044 0.000 0.301 409 G C -1.888 172.336 174.900 -1.126 0.000 1.577 409 G CA -0.799 43.568 45.100 -1.221 0.000 0.868 409 G HN -0.017 nan 8.290 nan 0.000 0.599 410 L N 1.165 121.626 121.223 -1.269 0.000 2.385 410 L HA 0.736 5.050 4.340 -0.044 0.000 0.273 410 L C -0.824 175.467 176.870 -0.965 0.000 0.990 410 L CA -0.778 53.585 54.840 -0.794 0.000 0.821 410 L CB 2.117 43.912 42.059 -0.441 0.000 1.279 410 L HN 0.514 nan 8.230 nan 0.000 0.412 411 W N 3.276 124.518 121.300 -0.096 0.000 2.957 411 W HA 0.361 4.995 4.660 -0.044 0.000 0.336 411 W C -2.660 173.806 176.519 -0.089 0.000 1.087 411 W CA -1.643 55.644 57.345 -0.098 0.000 1.235 411 W CB 2.253 31.613 29.460 -0.167 0.000 1.399 411 W HN 0.122 nan 8.180 nan 0.000 0.480 412 P HA 0.364 nan 4.420 nan 0.000 0.297 412 P C -0.919 176.417 177.300 0.060 0.000 1.342 412 P CA -0.227 62.910 63.100 0.060 0.000 0.801 412 P CB 1.791 33.517 31.700 0.043 0.000 0.920 413 L N 3.830 125.068 121.223 0.025 0.000 2.346 413 L HA 0.563 4.877 4.340 -0.044 0.000 0.276 413 L C 0.280 177.144 176.870 -0.009 0.000 1.006 413 L CA -0.981 53.857 54.840 -0.003 0.000 0.817 413 L CB 1.997 44.021 42.059 -0.058 0.000 1.272 413 L HN 0.255 nan 8.230 nan 0.000 0.421 414 R N 2.425 122.925 120.500 0.000 0.000 2.278 414 R HA 0.200 4.514 4.340 -0.044 0.000 0.322 414 R C 0.469 176.762 176.300 -0.011 0.000 1.058 414 R CA 0.060 56.161 56.100 0.002 0.000 0.991 414 R CB 1.224 31.535 30.300 0.019 0.000 1.140 414 R HN 0.788 nan 8.270 nan 0.000 0.518 415 S N 2.224 117.907 115.700 -0.028 0.000 2.461 415 S HA -0.070 4.374 4.470 -0.044 0.000 0.228 415 S C 0.450 175.038 174.600 -0.020 0.000 1.005 415 S CA 0.500 58.675 58.200 -0.042 0.000 0.942 415 S CB 0.162 63.321 63.200 -0.068 0.000 0.776 415 S HN 0.701 nan 8.310 nan 0.000 0.514 416 D N 1.967 122.362 120.400 -0.008 0.000 2.359 416 D HA 0.260 4.874 4.640 -0.044 0.000 0.230 416 D C -2.007 174.298 176.300 0.007 0.000 1.118 416 D CA -2.047 51.953 54.000 -0.000 0.000 0.844 416 D CB 1.868 42.669 40.800 0.001 0.000 1.059 416 D HN 0.176 nan 8.370 nan 0.000 0.493 417 P HA -0.019 nan 4.420 nan 0.000 0.239 417 P C 0.425 177.735 177.300 0.016 0.000 1.184 417 P CA 0.482 63.592 63.100 0.017 0.000 0.760 417 P CB 0.577 32.289 31.700 0.021 0.000 0.884 418 N N -0.287 118.421 118.700 0.013 0.000 2.445 418 N HA 0.046 4.760 4.740 -0.044 0.000 0.204 418 N C 0.770 176.287 175.510 0.012 0.000 1.098 418 N CA 0.088 53.146 53.050 0.013 0.000 0.859 418 N CB 0.697 39.191 38.487 0.011 0.000 1.249 418 N HN 0.298 nan 8.380 nan 0.000 0.462 419 R N 1.921 122.428 120.500 0.011 0.000 2.294 419 R HA 0.252 4.566 4.340 -0.044 0.000 0.319 419 R C 0.145 176.454 176.300 0.014 0.000 0.984 419 R CA -0.325 55.782 56.100 0.012 0.000 0.861 419 R CB 0.519 30.825 30.300 0.010 0.000 1.104 419 R HN 0.100 nan 8.270 nan 0.000 0.451 420 E N 1.324 121.533 120.200 0.016 0.000 2.403 420 E HA -0.007 4.317 4.350 -0.044 0.000 0.187 420 E C -0.365 176.249 176.600 0.023 0.000 1.073 420 E CA -0.160 56.252 56.400 0.020 0.000 0.888 420 E CB 0.238 29.951 29.700 0.020 0.000 1.035 420 E HN 0.714 nan 8.360 nan 0.000 0.471 421 T N -1.608 112.959 114.554 0.021 0.000 2.934 421 T HA 0.243 4.567 4.350 -0.044 0.000 0.283 421 T C -0.031 174.684 174.700 0.025 0.000 1.005 421 T CA -1.054 61.062 62.100 0.025 0.000 1.041 421 T CB 1.515 70.397 68.868 0.024 0.000 1.042 421 T HN -0.119 nan 8.240 nan 0.000 0.505 422 D N 1.163 121.580 120.400 0.029 0.000 2.357 422 D HA 0.298 4.912 4.640 -0.044 0.000 0.242 422 D C 0.383 176.697 176.300 0.023 0.000 1.153 422 D CA -0.061 53.954 54.000 0.024 0.000 0.918 422 D CB 0.893 41.709 40.800 0.026 0.000 1.181 422 D HN 0.906 nan 8.370 nan 0.000 0.435 423 D N -2.936 117.471 120.400 0.011 0.000 2.583 423 D HA 0.084 4.698 4.640 -0.044 0.000 0.282 423 D C -0.727 175.571 176.300 -0.004 0.000 1.485 423 D CA -0.276 53.731 54.000 0.012 0.000 0.834 423 D CB 0.087 40.891 40.800 0.006 0.000 1.258 423 D HN 0.127 nan 8.370 nan 0.000 0.470 424 T N 0.616 115.161 114.554 -0.015 0.000 2.952 424 T HA 0.554 4.878 4.350 -0.044 0.000 0.305 424 T C -1.726 172.960 174.700 -0.024 0.000 1.064 424 T CA -0.662 61.416 62.100 -0.036 0.000 1.008 424 T CB 2.226 71.043 68.868 -0.084 0.000 1.078 424 T HN 0.138 nan 8.240 nan 0.000 0.459 425 L N 3.467 124.678 121.223 -0.020 0.000 2.376 425 L HA 0.803 5.117 4.340 -0.044 0.000 0.275 425 L C -1.389 175.494 176.870 0.021 0.000 0.987 425 L CA -0.583 54.253 54.840 -0.007 0.000 0.828 425 L CB 1.575 43.611 42.059 -0.039 0.000 1.249 425 L HN 0.503 nan 8.230 nan 0.000 0.409 426 V N 6.133 126.100 119.914 0.088 0.000 2.370 426 V HA 0.481 4.575 4.120 -0.044 0.000 0.283 426 V C -0.004 176.216 176.094 0.209 0.000 1.023 426 V CA -0.462 61.934 62.300 0.161 0.000 0.857 426 V CB 1.276 33.228 31.823 0.214 0.000 0.985 426 V HN 0.615 nan 8.190 nan 0.000 0.443 427 L N 3.537 124.830 121.223 0.116 0.000 2.358 427 L HA 0.727 5.041 4.340 -0.044 0.000 0.268 427 L C 0.312 177.182 176.870 0.001 0.000 1.032 427 L CA 0.396 55.209 54.840 -0.046 0.000 0.805 427 L CB 1.967 43.928 42.059 -0.163 0.000 1.253 427 L HN 0.721 nan 8.230 nan 0.000 0.452 428 S N 0.347 115.895 115.700 -0.254 0.000 2.538 428 S HA 0.814 5.258 4.470 -0.044 0.000 0.288 428 S C -1.186 173.128 174.600 -0.477 0.000 1.108 428 S CA -0.414 57.723 58.200 -0.105 0.000 0.971 428 S CB 0.503 63.827 63.200 0.206 0.000 1.041 428 S HN 0.261 nan 8.310 nan 0.000 0.483 429 F N 1.490 121.479 119.950 0.065 0.000 2.654 429 F HA 0.523 5.024 4.527 -0.044 0.000 0.334 429 F C -0.058 175.782 175.800 0.066 0.000 1.078 429 F CA -1.151 56.880 58.000 0.053 0.000 0.986 429 F CB 1.118 40.144 39.000 0.043 0.000 1.362 429 F HN 0.263 nan 8.300 nan 0.000 0.498 430 V N 2.121 122.202 119.914 0.279 0.000 2.452 430 V HA 0.264 4.358 4.120 -0.044 0.000 0.286 430 V C 0.947 177.136 176.094 0.158 0.000 0.995 430 V CA 1.253 63.667 62.300 0.190 0.000 1.116 430 V CB -0.473 31.447 31.823 0.160 0.000 0.954 430 V HN 1.095 nan 8.190 nan 0.000 0.473 431 G N 3.470 112.347 108.800 0.128 0.000 2.234 431 G HA2 -0.224 3.710 3.960 -0.044 0.000 0.260 431 G HA3 -0.224 3.710 3.960 -0.044 0.000 0.260 431 G C 0.152 175.091 174.900 0.065 0.000 0.987 431 G CA 0.585 45.734 45.100 0.081 0.000 0.625 431 G HN 0.900 nan 8.290 nan 0.000 0.532 432 Q N -1.629 118.241 119.800 0.116 0.000 2.943 432 Q HA 0.794 5.108 4.340 -0.044 0.000 0.328 432 Q C -1.199 174.915 176.000 0.190 0.000 0.934 432 Q CA -0.692 55.182 55.803 0.117 0.000 0.782 432 Q CB 1.483 30.278 28.738 0.096 0.000 1.470 432 Q HN 0.245 nan 8.270 nan 0.000 0.503 433 T N 0.676 115.344 114.554 0.190 0.000 2.956 433 T HA 0.569 4.892 4.350 -0.044 0.000 0.312 433 T C -1.243 173.597 174.700 0.233 0.000 1.151 433 T CA -0.883 61.345 62.100 0.213 0.000 1.024 433 T CB 1.474 70.407 68.868 0.109 0.000 1.140 433 T HN 0.349 nan 8.240 nan 0.000 0.473 434 R N 1.487 122.158 120.500 0.285 0.000 2.686 434 R HA 0.740 5.054 4.340 -0.044 0.000 0.286 434 R C -1.129 175.266 176.300 0.159 0.000 0.969 434 R CA -0.752 55.482 56.100 0.223 0.000 0.898 434 R CB 2.058 32.538 30.300 0.301 0.000 1.183 434 R HN 0.430 nan 8.270 nan 0.000 0.456 435 V N 4.007 123.977 119.914 0.093 0.000 2.483 435 V HA 0.546 4.640 4.120 -0.044 0.000 0.295 435 V C 0.084 176.193 176.094 0.024 0.000 1.035 435 V CA -0.762 61.557 62.300 0.031 0.000 0.896 435 V CB 1.766 33.562 31.823 -0.046 0.000 0.986 435 V HN 0.463 nan 8.190 nan 0.000 0.447 436 L N 5.246 126.475 121.223 0.010 0.000 2.386 436 L HA 0.678 4.992 4.340 -0.044 0.000 0.271 436 L C -0.207 176.658 176.870 -0.008 0.000 0.993 436 L CA -0.621 54.225 54.840 0.010 0.000 0.819 436 L CB 1.938 44.010 42.059 0.021 0.000 1.294 436 L HN 0.727 nan 8.230 nan 0.000 0.414 437 M N 2.233 121.831 119.600 -0.002 0.000 2.573 437 M HA 0.726 5.180 4.480 -0.044 0.000 0.309 437 M C -1.372 174.941 176.300 0.022 0.000 1.202 437 M CA -0.525 54.774 55.300 -0.002 0.000 0.975 437 M CB 1.731 34.326 32.600 -0.007 0.000 1.600 437 M HN 0.409 nan 8.290 nan 0.000 0.479 438 L N 2.774 124.015 121.223 0.031 0.000 2.377 438 L HA 0.484 4.798 4.340 -0.044 0.000 0.270 438 L C -1.167 175.736 176.870 0.055 0.000 0.991 438 L CA -0.633 54.248 54.840 0.069 0.000 0.851 438 L CB 1.139 43.255 42.059 0.095 0.000 1.218 438 L HN 0.734 nan 8.230 nan 0.000 0.420 439 N N 3.217 121.948 118.700 0.052 0.000 2.476 439 N HA 0.384 5.097 4.740 -0.044 0.000 0.257 439 N C 0.762 176.285 175.510 0.022 0.000 0.970 439 N CA 0.264 53.332 53.050 0.029 0.000 0.938 439 N CB 2.294 40.793 38.487 0.020 0.000 1.144 439 N HN 0.816 nan 8.380 nan 0.000 0.500 440 G N 3.031 111.831 108.800 0.001 0.000 2.774 440 G HA2 -0.405 3.529 3.960 -0.044 0.000 0.342 440 G HA3 -0.405 3.529 3.960 -0.044 0.000 0.342 440 G C 0.534 175.385 174.900 -0.081 0.000 1.185 440 G CA 0.780 45.856 45.100 -0.040 0.000 0.956 440 G HN 0.594 nan 8.290 nan 0.000 0.561 441 E N 0.979 121.139 120.200 -0.067 0.000 2.526 441 E HA 0.263 4.587 4.350 -0.044 0.000 0.208 441 E C 0.463 177.132 176.600 0.116 0.000 0.997 441 E CA -0.042 56.315 56.400 -0.071 0.000 0.961 441 E CB 0.373 30.001 29.700 -0.119 0.000 1.030 441 E HN 0.473 nan 8.360 nan 0.000 0.483 442 E N 0.200 120.451 120.200 0.085 0.000 2.360 442 E HA 0.095 4.419 4.350 -0.044 0.000 0.269 442 E C -1.102 175.563 176.600 0.109 0.000 1.022 442 E CA -0.016 56.435 56.400 0.085 0.000 0.887 442 E CB 1.260 30.988 29.700 0.048 0.000 0.990 442 E HN -0.141 nan 8.360 nan 0.000 0.426 443 V N 4.490 124.458 119.914 0.090 0.000 2.276 443 V HA 0.268 4.362 4.120 -0.044 0.000 0.268 443 V C -0.549 175.571 176.094 0.044 0.000 1.032 443 V CA -0.669 61.671 62.300 0.067 0.000 0.810 443 V CB 0.922 32.779 31.823 0.055 0.000 1.060 443 V HN 0.609 nan 8.190 nan 0.000 0.446 444 E N 2.238 122.460 120.200 0.035 0.000 2.195 444 E HA 0.417 4.741 4.350 -0.044 0.000 0.271 444 E C -0.200 176.413 176.600 0.022 0.000 0.923 444 E CA -0.502 55.913 56.400 0.026 0.000 0.790 444 E CB 1.569 31.282 29.700 0.022 0.000 1.155 444 E HN 0.658 nan 8.360 nan 0.000 0.402 445 E N 1.768 121.982 120.200 0.022 0.000 2.373 445 E HA 0.223 4.547 4.350 -0.044 0.000 0.267 445 E C -0.825 175.783 176.600 0.012 0.000 1.032 445 E CA 0.240 56.654 56.400 0.023 0.000 0.889 445 E CB 0.601 30.317 29.700 0.025 0.000 0.984 445 E HN 0.554 nan 8.360 nan 0.000 0.425 446 T N 2.712 117.271 114.554 0.008 0.000 2.841 446 T HA 0.340 4.664 4.350 -0.044 0.000 0.296 446 T C -0.978 173.720 174.700 -0.003 0.000 1.166 446 T CA -1.093 61.005 62.100 -0.003 0.000 1.007 446 T CB 1.447 70.303 68.868 -0.019 0.000 1.253 446 T HN 0.322 nan 8.240 nan 0.000 0.511 447 E N 0.460 120.656 120.200 -0.007 0.000 2.227 447 E HA 0.686 5.010 4.350 -0.044 0.000 0.268 447 E C -1.190 175.394 176.600 -0.027 0.000 0.990 447 E CA -0.860 55.538 56.400 -0.003 0.000 0.856 447 E CB 2.286 31.990 29.700 0.006 0.000 1.159 447 E HN 0.414 nan 8.360 nan 0.000 0.401 448 L N 1.989 123.198 121.223 -0.024 0.000 2.470 448 L HA 0.329 4.643 4.340 -0.044 0.000 0.268 448 L C -1.040 175.844 176.870 0.024 0.000 0.964 448 L CA -0.478 54.324 54.840 -0.064 0.000 0.839 448 L CB 1.661 43.574 42.059 -0.243 0.000 1.276 448 L HN 0.393 nan 8.230 nan 0.000 0.403 449 M N 4.577 124.193 119.600 0.027 0.000 2.251 449 M HA 0.360 4.813 4.480 -0.044 0.000 0.346 449 M C 1.191 177.566 176.300 0.126 0.000 1.499 449 M CA 1.211 56.548 55.300 0.063 0.000 1.128 449 M CB -0.324 32.298 32.600 0.037 0.000 1.809 449 M HN 0.938 nan 8.290 nan 0.000 0.464 450 G N 3.964 112.850 108.800 0.144 0.000 2.436 450 G HA2 -0.206 3.728 3.960 -0.044 0.000 0.204 450 G HA3 -0.206 3.728 3.960 -0.044 0.000 0.204 450 G C -0.189 174.814 174.900 0.171 0.000 1.026 450 G CA -0.697 44.498 45.100 0.158 0.000 0.658 450 G HN 0.486 nan 8.290 nan 0.000 0.499 451 F N 2.825 122.758 119.950 -0.029 0.000 2.424 451 F HA 0.546 5.047 4.527 -0.044 0.000 0.356 451 F C 1.194 176.974 175.800 -0.033 0.000 1.110 451 F CA -0.626 57.349 58.000 -0.041 0.000 1.161 451 F CB 1.357 40.329 39.000 -0.047 0.000 1.115 451 F HN 0.355 nan 8.300 nan 0.000 0.507 452 V N 0.612 120.550 119.914 0.040 0.000 3.003 452 V HA 0.342 4.436 4.120 -0.044 0.000 0.305 452 V C 0.219 176.341 176.094 0.047 0.000 1.078 452 V CA -0.510 61.803 62.300 0.022 0.000 1.083 452 V CB 1.455 33.259 31.823 -0.032 0.000 1.039 452 V HN 0.752 nan 8.190 nan 0.000 0.481 453 D N -0.204 120.221 120.400 0.042 0.000 2.441 453 D HA 0.032 4.646 4.640 -0.044 0.000 0.210 453 D C 0.826 177.147 176.300 0.035 0.000 1.102 453 D CA 0.601 54.633 54.000 0.054 0.000 0.840 453 D CB -0.108 40.725 40.800 0.056 0.000 0.990 453 D HN 0.748 nan 8.370 nan 0.000 0.505 454 D N -0.203 120.204 120.400 0.012 0.000 2.349 454 D HA -0.020 4.593 4.640 -0.044 0.000 0.214 454 D C 0.146 176.441 176.300 -0.009 0.000 1.063 454 D CA 0.065 54.067 54.000 0.004 0.000 0.847 454 D CB 0.339 41.138 40.800 -0.003 0.000 0.933 454 D HN 0.107 nan 8.370 nan 0.000 0.513 455 Q N 0.686 120.470 119.800 -0.027 0.000 2.413 455 Q HA 0.249 4.563 4.340 -0.044 0.000 0.276 455 Q C -0.781 175.168 176.000 -0.084 0.000 1.099 455 Q CA -0.642 55.121 55.803 -0.066 0.000 0.814 455 Q CB 2.507 31.181 28.738 -0.107 0.000 1.379 455 Q HN 0.131 nan 8.270 nan 0.000 0.436 456 Q N 1.037 120.758 119.800 -0.132 0.000 2.296 456 Q HA 0.189 4.503 4.340 -0.044 0.000 0.263 456 Q C -0.805 174.974 176.000 -0.369 0.000 1.026 456 Q CA 0.138 55.850 55.803 -0.152 0.000 0.912 456 Q CB 0.653 29.341 28.738 -0.083 0.000 1.198 456 Q HN 0.437 nan 8.270 nan 0.000 0.407 457 T N 5.160 119.583 114.554 -0.217 0.000 2.901 457 T HA 0.105 4.429 4.350 -0.044 0.000 0.301 457 T C 0.117 174.742 174.700 -0.125 0.000 1.012 457 T CA -0.136 61.767 62.100 -0.328 0.000 1.135 457 T CB 0.284 68.900 68.868 -0.419 0.000 0.936 457 T HN 0.460 nan 8.240 nan 0.000 0.539 458 F N 1.323 121.216 119.950 -0.095 0.000 2.622 458 F HA 0.477 4.978 4.527 -0.044 0.000 0.288 458 F C 0.216 176.121 175.800 0.175 0.000 1.120 458 F CA -0.847 57.230 58.000 0.128 0.000 1.423 458 F CB 0.081 39.166 39.000 0.142 0.000 1.127 458 F HN 0.515 nan 8.300 nan 0.000 0.588 459 F N 0.250 120.026 119.950 -0.290 0.000 2.688 459 F HA 0.491 4.992 4.527 -0.044 0.000 0.308 459 F C -1.348 173.957 175.800 -0.825 0.000 1.117 459 F CA -1.684 55.956 58.000 -0.600 0.000 0.976 459 F CB 1.110 40.074 39.000 -0.061 0.000 1.291 459 F HN -0.035 nan 8.300 nan 0.000 0.439 460 C N 2.597 120.650 119.300 -2.078 0.000 3.239 460 C HA 1.079 5.513 4.460 -0.044 0.000 0.329 460 C C -0.406 173.901 174.990 -1.139 0.000 1.252 460 C CA 0.030 58.315 59.018 -1.222 0.000 1.323 460 C CB 1.195 28.593 27.740 -0.570 0.000 1.663 460 C HN 1.887 nan 8.230 nan 0.000 0.487 461 G N 1.958 110.478 108.800 -0.466 0.000 2.321 461 G HA2 0.446 4.380 3.960 -0.044 0.000 0.296 461 G HA3 0.446 4.380 3.960 -0.044 0.000 0.296 461 G C -2.071 172.857 174.900 0.047 0.000 1.287 461 G CA -0.987 44.019 45.100 -0.157 0.000 0.846 461 G HN 0.973 nan 8.290 nan 0.000 0.508 462 N N -0.287 118.464 118.700 0.085 0.000 2.497 462 N HA 0.513 5.227 4.740 -0.044 0.000 0.271 462 N C 0.421 175.995 175.510 0.108 0.000 1.142 462 N CA 0.099 53.202 53.050 0.088 0.000 0.965 462 N CB 1.897 40.424 38.487 0.066 0.000 1.077 462 N HN 0.819 nan 8.380 nan 0.000 0.462 463 V N -0.897 119.069 119.914 0.085 0.000 3.155 463 V HA 0.903 4.997 4.120 -0.044 0.000 0.313 463 V C 0.328 176.426 176.094 0.007 0.000 1.162 463 V CA -1.462 60.875 62.300 0.061 0.000 1.048 463 V CB 0.993 32.863 31.823 0.079 0.000 1.092 463 V HN 0.671 nan 8.190 nan 0.000 0.447 464 A N -0.359 122.422 122.820 -0.065 0.000 2.536 464 A HA 0.400 4.694 4.320 -0.044 0.000 0.234 464 A C 0.605 178.094 177.584 -0.159 0.000 1.076 464 A CA 0.945 52.841 52.037 -0.235 0.000 0.769 464 A CB -1.188 17.539 19.000 -0.456 0.000 1.020 464 A HN 1.981 nan 8.150 nan 0.000 0.508 465 H N -1.445 117.638 119.070 0.022 0.000 2.756 465 H HA -0.105 4.425 4.556 -0.044 0.000 0.315 465 H C -0.115 175.232 175.328 0.032 0.000 1.210 465 H CA 0.568 56.633 56.048 0.029 0.000 1.150 465 H CB -2.223 27.560 29.762 0.035 0.000 1.463 465 H HN 0.811 nan 8.280 nan 0.000 0.427 466 Q N -0.928 118.925 119.800 0.087 0.000 2.429 466 Q HA -0.233 4.081 4.340 -0.044 0.000 0.365 466 Q C -0.314 175.733 176.000 0.079 0.000 1.384 466 Q CA 1.540 57.384 55.803 0.069 0.000 1.089 466 Q CB -0.645 28.130 28.738 0.062 0.000 1.264 466 Q HN 0.791 nan 8.270 nan 0.000 0.342 467 Q N -0.549 119.298 119.800 0.079 0.000 2.456 467 Q HA 0.703 5.016 4.340 -0.044 0.000 0.283 467 Q C -0.963 175.092 176.000 0.092 0.000 1.084 467 Q CA -1.125 54.731 55.803 0.089 0.000 0.801 467 Q CB 1.566 30.366 28.738 0.104 0.000 1.434 467 Q HN 0.173 nan 8.270 nan 0.000 0.419 468 L N 0.943 122.236 121.223 0.118 0.000 2.347 468 L HA 0.659 4.972 4.340 -0.044 0.000 0.268 468 L C -0.638 176.315 176.870 0.138 0.000 1.019 468 L CA -0.585 54.352 54.840 0.161 0.000 0.806 468 L CB 1.338 43.552 42.059 0.259 0.000 1.339 468 L HN 0.657 nan 8.230 nan 0.000 0.463 469 I N 0.007 120.648 120.570 0.118 0.000 2.787 469 I HA 0.331 4.475 4.170 -0.044 0.000 0.294 469 I C -1.633 174.323 176.117 -0.268 0.000 1.365 469 I CA -0.305 60.977 61.300 -0.031 0.000 1.029 469 I CB 1.928 39.967 38.000 0.064 0.000 1.313 469 I HN 0.619 nan 8.210 nan 0.000 0.431 470 Q N 7.534 127.049 119.800 -0.474 0.000 2.263 470 Q HA 0.532 4.846 4.340 -0.044 0.000 0.266 470 Q C -2.035 173.751 176.000 -0.356 0.000 1.002 470 Q CA -0.638 54.773 55.803 -0.653 0.000 0.790 470 Q CB 2.014 29.982 28.738 -1.282 0.000 1.272 470 Q HN 0.643 nan 8.270 nan 0.000 0.435 471 I N 3.944 124.368 120.570 -0.243 0.000 2.328 471 I HA 0.297 4.441 4.170 -0.044 0.000 0.287 471 I C 0.578 176.588 176.117 -0.179 0.000 1.012 471 I CA -0.363 60.877 61.300 -0.099 0.000 1.195 471 I CB 1.599 39.641 38.000 0.070 0.000 1.350 471 I HN 0.653 nan 8.210 nan 0.000 0.464 472 T N 0.694 115.125 114.554 -0.204 0.000 2.876 472 T HA 0.252 4.575 4.350 -0.044 0.000 0.277 472 T C 1.177 175.673 174.700 -0.341 0.000 0.997 472 T CA -0.065 61.827 62.100 -0.346 0.000 0.966 472 T CB 1.447 70.159 68.868 -0.260 0.000 1.312 472 T HN 0.521 nan 8.240 nan 0.000 0.598 473 S N -0.561 114.879 115.700 -0.433 0.000 2.489 473 S HA 0.189 4.633 4.470 -0.044 0.000 0.228 473 S C 1.978 176.562 174.600 -0.028 0.000 0.995 473 S CA 0.302 58.388 58.200 -0.191 0.000 0.934 473 S CB -0.708 62.400 63.200 -0.154 0.000 0.771 473 S HN 0.976 nan 8.310 nan 0.000 0.522 474 A N 1.211 123.992 122.820 -0.065 0.000 2.014 474 A HA 0.570 4.864 4.320 -0.044 0.000 0.210 474 A C 1.192 178.764 177.584 -0.019 0.000 1.188 474 A CA 0.609 52.624 52.037 -0.037 0.000 0.731 474 A CB 0.042 19.008 19.000 -0.057 0.000 0.858 474 A HN 0.847 nan 8.150 nan 0.000 0.464 475 S N -2.315 113.382 115.700 -0.005 0.000 2.661 475 S HA 0.501 4.945 4.470 -0.044 0.000 0.268 475 S C -1.278 173.371 174.600 0.081 0.000 1.162 475 S CA 0.027 58.257 58.200 0.050 0.000 0.817 475 S CB 0.984 64.177 63.200 -0.011 0.000 1.141 475 S HN 1.368 nan 8.310 nan 0.000 0.477 476 V N 0.979 120.990 119.914 0.162 0.000 2.448 476 V HA 0.786 4.880 4.120 -0.044 0.000 0.295 476 V C -1.206 174.917 176.094 0.048 0.000 1.025 476 V CA -0.559 61.793 62.300 0.086 0.000 0.859 476 V CB 1.244 33.127 31.823 0.101 0.000 0.988 476 V HN 0.944 nan 8.190 nan 0.000 0.431 477 R N 5.659 126.127 120.500 -0.053 0.000 2.393 477 R HA 0.580 4.894 4.340 -0.044 0.000 0.315 477 R C -1.195 175.063 176.300 -0.071 0.000 0.952 477 R CA -0.776 55.280 56.100 -0.073 0.000 0.842 477 R CB 1.938 32.145 30.300 -0.155 0.000 1.163 477 R HN 0.692 nan 8.270 nan 0.000 0.450 478 L N 3.695 124.914 121.223 -0.006 0.000 2.326 478 L HA 0.410 4.724 4.340 -0.044 0.000 0.278 478 L C -0.881 176.009 176.870 0.033 0.000 1.092 478 L CA -0.284 54.569 54.840 0.022 0.000 0.810 478 L CB 1.711 43.799 42.059 0.049 0.000 1.153 478 L HN 0.349 nan 8.230 nan 0.000 0.439 479 V N 4.043 123.997 119.914 0.066 0.000 2.577 479 V HA 0.476 4.570 4.120 -0.044 0.000 0.303 479 V C -0.170 175.983 176.094 0.099 0.000 1.042 479 V CA -0.658 61.702 62.300 0.100 0.000 0.872 479 V CB 2.040 33.980 31.823 0.196 0.000 0.998 479 V HN 0.934 nan 8.190 nan 0.000 0.423 480 S N 4.225 119.972 115.700 0.078 0.000 2.585 480 S HA 0.257 4.701 4.470 -0.044 0.000 0.273 480 S C 0.607 175.245 174.600 0.062 0.000 1.339 480 S CA -0.477 57.763 58.200 0.067 0.000 1.028 480 S CB 1.533 64.765 63.200 0.052 0.000 0.906 480 S HN 0.666 nan 8.310 nan 0.000 0.528 481 Q N 0.731 120.563 119.800 0.054 0.000 2.008 481 Q HA 0.160 4.474 4.340 -0.044 0.000 0.196 481 Q C -0.045 175.972 176.000 0.028 0.000 0.973 481 Q CA 1.205 57.032 55.803 0.039 0.000 0.826 481 Q CB 0.009 28.769 28.738 0.037 0.000 0.894 481 Q HN 0.731 nan 8.270 nan 0.000 0.439 482 E N 0.864 121.081 120.200 0.029 0.000 2.218 482 E HA 0.242 4.566 4.350 -0.044 0.000 0.263 482 E C -2.102 174.512 176.600 0.024 0.000 0.879 482 E CA -1.502 54.912 56.400 0.022 0.000 0.762 482 E CB 1.879 31.590 29.700 0.019 0.000 1.166 482 E HN 0.144 nan 8.360 nan 0.000 0.415 483 P HA 0.235 nan 4.420 nan 0.000 0.227 483 P C -0.625 176.687 177.300 0.021 0.000 1.801 483 P CA -0.631 62.479 63.100 0.018 0.000 0.971 483 P CB 0.058 31.767 31.700 0.015 0.000 1.653 484 K N 0.220 120.636 120.400 0.027 0.000 4.868 484 K HA -0.024 4.270 4.320 -0.044 0.000 0.314 484 K C -0.915 175.709 176.600 0.039 0.000 0.932 484 K CA 0.824 57.130 56.287 0.032 0.000 0.998 484 K CB -1.610 30.900 32.500 0.017 0.000 1.704 484 K HN 0.546 nan 8.250 nan 0.000 0.426 485 A N 2.157 125.006 122.820 0.047 0.000 2.556 485 A HA 0.709 5.003 4.320 -0.044 0.000 0.294 485 A C -1.257 176.359 177.584 0.052 0.000 1.091 485 A CA -0.834 51.231 52.037 0.046 0.000 0.704 485 A CB 1.038 20.056 19.000 0.031 0.000 1.300 485 A HN 0.528 nan 8.150 nan 0.000 0.406 486 L N 1.883 123.133 121.223 0.045 0.000 2.534 486 L HA 0.331 4.645 4.340 -0.044 0.000 0.271 486 L C 0.949 177.835 176.870 0.027 0.000 1.178 486 L CA 1.038 55.898 54.840 0.033 0.000 0.907 486 L CB 0.840 42.910 42.059 0.018 0.000 1.164 486 L HN 0.969 nan 8.230 nan 0.000 0.482 487 V N 0.836 120.769 119.914 0.031 0.000 3.604 487 V HA 0.494 4.588 4.120 -0.044 0.000 0.277 487 V C 0.609 176.720 176.094 0.029 0.000 1.399 487 V CA 0.502 62.819 62.300 0.030 0.000 1.034 487 V CB 0.105 31.950 31.823 0.036 0.000 0.824 487 V HN 0.740 nan 8.190 nan 0.000 0.439 488 S N -0.134 115.585 115.700 0.032 0.000 2.548 488 S HA 0.543 4.987 4.470 -0.044 0.000 0.278 488 S C -1.564 173.061 174.600 0.041 0.000 1.150 488 S CA -0.452 57.772 58.200 0.040 0.000 0.907 488 S CB 2.038 65.273 63.200 0.057 0.000 1.108 488 S HN 0.647 nan 8.310 nan 0.000 0.459 489 E N 2.430 122.657 120.200 0.044 0.000 2.263 489 E HA 0.380 4.703 4.350 -0.044 0.000 0.268 489 E C -1.871 174.779 176.600 0.083 0.000 0.884 489 E CA -0.558 55.870 56.400 0.047 0.000 0.766 489 E CB 1.079 30.776 29.700 -0.004 0.000 1.196 489 E HN 0.605 nan 8.360 nan 0.000 0.416 490 W N 5.400 126.665 121.300 -0.058 0.000 2.391 490 W HA 0.421 5.055 4.660 -0.043 0.000 0.311 490 W C -0.835 175.628 176.519 -0.092 0.000 1.087 490 W CA -0.318 56.982 57.345 -0.074 0.000 1.209 490 W CB 0.849 30.267 29.460 -0.069 0.000 1.273 490 W HN 0.353 nan 8.180 nan 0.000 0.482 491 K N 3.169 123.091 120.400 -0.798 0.000 2.400 491 K HA 0.224 4.518 4.320 -0.044 0.000 0.246 491 K C -0.569 175.129 176.600 -1.502 0.000 0.995 491 K CA -1.154 54.647 56.287 -0.810 0.000 0.840 491 K CB 1.909 34.158 32.500 -0.417 0.000 1.293 491 K HN 0.321 nan 8.250 nan 0.000 0.445 492 E N 2.062 121.686 120.200 -0.961 0.000 2.354 492 E HA 0.066 4.389 4.350 -0.044 0.000 0.269 492 E C -1.888 174.421 176.600 -0.484 0.000 1.036 492 E CA -1.746 54.197 56.400 -0.762 0.000 0.876 492 E CB 1.018 30.559 29.700 -0.266 0.000 1.009 492 E HN 0.223 nan 8.360 nan 0.000 0.416 493 P HA -0.201 nan 4.420 nan 0.000 0.217 493 P C 0.386 177.589 177.300 -0.162 0.000 1.162 493 P CA 1.739 64.702 63.100 -0.228 0.000 0.901 493 P CB 0.204 31.830 31.700 -0.123 0.000 0.793 494 Q N -2.208 117.523 119.800 -0.115 0.000 2.246 494 Q HA 0.445 4.759 4.340 -0.044 0.000 0.202 494 Q C 0.676 176.625 176.000 -0.084 0.000 0.883 494 Q CA 0.323 56.079 55.803 -0.080 0.000 0.952 494 Q CB -0.043 28.670 28.738 -0.041 0.000 1.078 494 Q HN 0.118 nan 8.270 nan 0.000 0.493 495 A N 0.419 123.161 122.820 -0.129 0.000 2.860 495 A HA -0.274 4.020 4.320 -0.044 0.000 0.267 495 A C -0.017 177.528 177.584 -0.065 0.000 1.421 495 A CA 0.871 52.836 52.037 -0.120 0.000 0.831 495 A CB -1.738 17.201 19.000 -0.102 0.000 1.041 495 A HN 0.339 nan 8.150 nan 0.000 0.623 496 K N 0.063 120.440 120.400 -0.039 0.000 2.336 496 K HA 0.172 4.465 4.320 -0.044 0.000 0.262 496 K C 0.332 176.954 176.600 0.036 0.000 0.992 496 K CA -0.026 56.267 56.287 0.011 0.000 0.927 496 K CB 0.241 32.765 32.500 0.041 0.000 0.956 496 K HN 0.629 nan 8.250 nan 0.000 0.495 497 N N 1.339 120.078 118.700 0.064 0.000 2.520 497 N HA 0.075 4.788 4.740 -0.044 0.000 0.273 497 N C -0.301 175.309 175.510 0.167 0.000 1.155 497 N CA -0.337 52.773 53.050 0.100 0.000 0.967 497 N CB 0.537 39.085 38.487 0.102 0.000 1.092 497 N HN 0.289 nan 8.380 nan 0.000 0.457 498 I N 1.972 122.667 120.570 0.209 0.000 2.598 498 I HA -0.110 4.033 4.170 -0.044 0.000 0.284 498 I C 1.544 177.894 176.117 0.389 0.000 1.140 498 I CA 0.251 61.730 61.300 0.299 0.000 1.420 498 I CB 0.736 38.926 38.000 0.316 0.000 1.387 498 I HN 0.692 nan 8.210 nan 0.000 0.553 499 S N 5.212 121.089 115.700 0.294 0.000 2.499 499 S HA 0.211 4.655 4.470 -0.044 0.000 0.225 499 S C 0.371 174.992 174.600 0.036 0.000 1.050 499 S CA -0.176 58.153 58.200 0.214 0.000 0.928 499 S CB 0.442 63.733 63.200 0.151 0.000 0.803 499 S HN 0.367 nan 8.310 nan 0.000 0.506 500 V N 1.138 121.099 119.914 0.078 0.000 2.888 500 V HA 0.848 4.942 4.120 -0.044 0.000 0.309 500 V C -0.669 175.481 176.094 0.094 0.000 1.114 500 V CA -0.526 61.769 62.300 -0.009 0.000 0.940 500 V CB 1.469 33.317 31.823 0.041 0.000 1.021 500 V HN 0.601 nan 8.190 nan 0.000 0.426 501 A N 2.725 125.597 122.820 0.085 0.000 2.449 501 A HA 1.004 5.297 4.320 -0.044 0.000 0.302 501 A C -0.408 177.220 177.584 0.074 0.000 1.048 501 A CA -0.247 51.874 52.037 0.141 0.000 0.708 501 A CB 2.064 21.229 19.000 0.275 0.000 1.274 501 A HN 1.406 nan 8.150 nan 0.000 0.410 502 S N -0.315 115.390 115.700 0.008 0.000 2.546 502 S HA 0.792 5.235 4.470 -0.044 0.000 0.274 502 S C -0.913 173.571 174.600 -0.194 0.000 1.121 502 S CA -0.655 57.489 58.200 -0.094 0.000 0.887 502 S CB 1.248 64.419 63.200 -0.049 0.000 1.094 502 S HN 2.089 nan 8.310 nan 0.000 0.474 503 C N 2.913 121.969 119.300 -0.407 0.000 3.113 503 C HA 0.770 5.204 4.460 -0.044 0.000 0.376 503 C C -1.047 173.692 174.990 -0.418 0.000 1.077 503 C CA -0.312 58.449 59.018 -0.429 0.000 1.253 503 C CB 0.481 27.888 27.740 -0.556 0.000 1.637 503 C HN 1.264 nan 8.230 nan 0.000 0.535 504 N N 1.362 119.954 118.700 -0.179 0.000 2.989 504 N HA 0.461 5.175 4.740 -0.044 0.000 0.338 504 N C 0.820 176.324 175.510 -0.011 0.000 1.369 504 N CA 0.051 53.050 53.050 -0.086 0.000 0.794 504 N CB 0.621 39.073 38.487 -0.060 0.000 1.359 504 N HN 0.614 nan 8.380 nan 0.000 0.609 505 S N -1.715 113.991 115.700 0.011 0.000 2.442 505 S HA -0.122 4.322 4.470 -0.044 0.000 0.236 505 S C 0.987 175.577 174.600 -0.017 0.000 1.007 505 S CA 1.334 59.546 58.200 0.020 0.000 0.965 505 S CB -0.892 62.312 63.200 0.007 0.000 0.773 505 S HN 0.767 nan 8.310 nan 0.000 0.504 506 S N -1.248 114.433 115.700 -0.032 0.000 2.744 506 S HA 0.372 4.816 4.470 -0.044 0.000 0.265 506 S C -0.032 174.546 174.600 -0.038 0.000 1.065 506 S CA -0.754 57.409 58.200 -0.062 0.000 1.191 506 S CB 0.138 63.283 63.200 -0.092 0.000 1.150 506 S HN 0.531 nan 8.310 nan 0.000 0.646 507 Q N 0.567 120.371 119.800 0.007 0.000 2.413 507 Q HA 0.787 5.101 4.340 -0.044 0.000 0.276 507 Q C -1.697 174.330 176.000 0.044 0.000 1.099 507 Q CA -0.955 54.896 55.803 0.080 0.000 0.814 507 Q CB 2.876 31.729 28.738 0.192 0.000 1.379 507 Q HN 0.157 nan 8.270 nan 0.000 0.436 508 V N 1.537 121.497 119.914 0.078 0.000 2.577 508 V HA 0.476 4.569 4.120 -0.044 0.000 0.303 508 V C -0.984 175.167 176.094 0.095 0.000 1.042 508 V CA -0.736 61.579 62.300 0.025 0.000 0.872 508 V CB 2.029 33.829 31.823 -0.038 0.000 0.998 508 V HN 0.534 nan 8.190 nan 0.000 0.423 509 V N 5.616 125.565 119.914 0.059 0.000 2.409 509 V HA 0.661 4.755 4.120 -0.044 0.000 0.291 509 V C -0.232 175.904 176.094 0.070 0.000 1.020 509 V CA -0.582 61.780 62.300 0.103 0.000 0.848 509 V CB 1.860 33.742 31.823 0.099 0.000 0.990 509 V HN 0.744 nan 8.190 nan 0.000 0.430 510 V N 1.905 121.870 119.914 0.084 0.000 2.960 510 V HA 1.051 5.145 4.120 -0.044 0.000 0.315 510 V C -0.021 176.179 176.094 0.177 0.000 1.087 510 V CA -0.952 61.416 62.300 0.114 0.000 0.982 510 V CB 1.877 33.750 31.823 0.083 0.000 1.039 510 V HN 1.018 nan 8.190 nan 0.000 0.437 511 A N 2.154 125.084 122.820 0.183 0.000 2.342 511 A HA 0.850 5.144 4.320 -0.044 0.000 0.323 511 A C -0.659 177.068 177.584 0.239 0.000 1.125 511 A CA -0.657 51.488 52.037 0.180 0.000 0.785 511 A CB 1.828 20.900 19.000 0.120 0.000 1.221 511 A HN 1.462 nan 8.150 nan 0.000 0.463 512 V N 3.167 123.240 119.914 0.263 0.000 2.315 512 V HA 0.584 4.677 4.120 -0.044 0.000 0.265 512 V C 1.052 177.243 176.094 0.163 0.000 1.019 512 V CA 0.467 62.917 62.300 0.251 0.000 0.824 512 V CB -0.582 31.452 31.823 0.353 0.000 1.072 512 V HN 2.044 nan 8.190 nan 0.000 0.448 513 G N 5.258 114.125 108.800 0.112 0.000 2.559 513 G HA2 -0.320 3.614 3.960 -0.044 0.000 0.282 513 G HA3 -0.320 3.614 3.960 -0.044 0.000 0.282 513 G C 0.858 175.786 174.900 0.047 0.000 1.177 513 G CA 0.732 45.864 45.100 0.053 0.000 0.960 513 G HN 0.589 nan 8.290 nan 0.000 0.540 514 R N 1.417 121.931 120.500 0.024 0.000 2.210 514 R HA 0.570 4.884 4.340 -0.044 0.000 0.203 514 R C 1.588 177.859 176.300 -0.048 0.000 1.010 514 R CA 0.730 56.824 56.100 -0.009 0.000 1.008 514 R CB -0.051 30.229 30.300 -0.033 0.000 0.923 514 R HN 0.862 nan 8.270 nan 0.000 0.469 515 A N 1.700 124.521 122.820 0.003 0.000 2.462 515 A HA 0.333 4.626 4.320 -0.044 0.000 0.243 515 A C -0.528 176.994 177.584 -0.103 0.000 1.076 515 A CA -0.072 51.944 52.037 -0.035 0.000 0.773 515 A CB 0.340 19.448 19.000 0.179 0.000 1.010 515 A HN 0.113 nan 8.150 nan 0.000 0.493 516 L N 1.448 122.438 121.223 -0.390 0.000 2.401 516 L HA 0.685 4.999 4.340 -0.044 0.000 0.266 516 L C -1.465 175.101 176.870 -0.507 0.000 0.991 516 L CA -0.201 54.417 54.840 -0.369 0.000 0.818 516 L CB 1.847 43.570 42.059 -0.559 0.000 1.321 516 L HN 0.658 nan 8.230 nan 0.000 0.413 517 Y N 2.802 123.138 120.300 0.060 0.000 2.421 517 Y HA 0.360 4.884 4.550 -0.044 0.000 0.339 517 Y C -1.269 174.757 175.900 0.211 0.000 0.996 517 Y CA -0.500 57.675 58.100 0.124 0.000 1.046 517 Y CB 1.896 40.294 38.460 -0.104 0.000 1.226 517 Y HN 0.490 nan 8.280 nan 0.000 0.445 518 Y N 5.349 125.841 120.300 0.319 0.000 2.353 518 Y HA 0.687 5.211 4.550 -0.044 0.000 0.340 518 Y C -1.306 174.615 175.900 0.035 0.000 0.972 518 Y CA -0.854 57.342 58.100 0.160 0.000 1.157 518 Y CB 0.557 39.077 38.460 0.100 0.000 1.157 518 Y HN 0.503 nan 8.280 nan 0.000 0.495 519 L N 6.028 127.206 121.223 -0.075 0.000 2.334 519 L HA 0.516 4.830 4.340 -0.044 0.000 0.273 519 L C -0.701 175.999 176.870 -0.282 0.000 1.013 519 L CA -0.975 53.709 54.840 -0.260 0.000 0.816 519 L CB 2.155 44.047 42.059 -0.279 0.000 1.278 519 L HN 0.608 nan 8.230 nan 0.000 0.431 520 Q N 1.554 121.205 119.800 -0.249 0.000 2.306 520 Q HA 0.605 4.919 4.340 -0.044 0.000 0.265 520 Q C -1.164 174.772 176.000 -0.106 0.000 1.022 520 Q CA -0.682 55.012 55.803 -0.182 0.000 0.853 520 Q CB 3.062 31.700 28.738 -0.167 0.000 1.327 520 Q HN 0.483 nan 8.270 nan 0.000 0.449 521 I N 3.072 123.538 120.570 -0.173 0.000 2.330 521 I HA 0.289 4.433 4.170 -0.044 0.000 0.286 521 I C -0.213 175.842 176.117 -0.103 0.000 1.025 521 I CA -0.342 60.915 61.300 -0.072 0.000 1.197 521 I CB 0.305 38.296 38.000 -0.015 0.000 1.358 521 I HN 0.458 nan 8.210 nan 0.000 0.467 522 H N 5.974 125.119 119.070 0.124 0.000 2.771 522 H HA 0.446 4.975 4.556 -0.044 0.000 0.344 522 H C -2.402 172.880 175.328 -0.078 0.000 1.260 522 H CA -2.204 53.872 56.048 0.047 0.000 1.276 522 H CB 1.605 31.345 29.762 -0.038 0.000 1.881 522 H HN 0.166 nan 8.280 nan 0.000 0.615 523 P HA 0.043 nan 4.420 nan 0.000 0.264 523 P C -0.225 177.059 177.300 -0.027 0.000 1.229 523 P CA 0.665 63.662 63.100 -0.171 0.000 0.780 523 P CB 0.373 31.919 31.700 -0.256 0.000 0.808 524 Q N -0.137 119.678 119.800 0.025 0.000 2.258 524 Q HA -0.260 4.054 4.340 -0.044 0.000 0.167 524 Q C 0.015 176.041 176.000 0.043 0.000 0.586 524 Q CA 2.147 57.969 55.803 0.032 0.000 1.398 524 Q CB -1.749 26.997 28.738 0.012 0.000 1.415 524 Q HN 0.756 nan 8.270 nan 0.000 0.903 525 E N 0.051 120.288 120.200 0.062 0.000 2.187 525 E HA 0.560 4.884 4.350 -0.044 0.000 0.268 525 E C -0.853 175.812 176.600 0.108 0.000 0.896 525 E CA -0.858 55.587 56.400 0.074 0.000 0.766 525 E CB 1.349 31.078 29.700 0.048 0.000 1.142 525 E HN 0.180 nan 8.360 nan 0.000 0.408 526 L N 3.646 124.927 121.223 0.097 0.000 2.282 526 L HA 0.347 4.661 4.340 -0.044 0.000 0.287 526 L C 0.464 177.393 176.870 0.099 0.000 1.075 526 L CA -0.426 54.468 54.840 0.091 0.000 0.839 526 L CB 0.360 42.480 42.059 0.101 0.000 1.219 526 L HN 0.496 nan 8.230 nan 0.000 0.434 527 R N 3.402 123.954 120.500 0.088 0.000 2.265 527 R HA 0.186 4.500 4.340 -0.044 0.000 0.314 527 R C -0.238 176.059 176.300 -0.004 0.000 1.053 527 R CA -0.473 55.666 56.100 0.064 0.000 0.931 527 R CB 0.882 31.235 30.300 0.089 0.000 1.024 527 R HN 0.536 nan 8.270 nan 0.000 0.457 528 Q N 5.156 124.985 119.800 0.048 0.000 2.294 528 Q HA 0.103 4.416 4.340 -0.044 0.000 0.257 528 Q C 0.378 176.393 176.000 0.025 0.000 0.955 528 Q CA -0.463 55.369 55.803 0.049 0.000 0.936 528 Q CB 0.929 29.804 28.738 0.228 0.000 1.188 528 Q HN 0.668 nan 8.270 nan 0.000 0.420 529 I N 1.493 122.025 120.570 -0.063 0.000 2.512 529 I HA 0.053 4.197 4.170 -0.044 0.000 0.247 529 I C 0.826 177.010 176.117 0.111 0.000 1.094 529 I CA 0.825 62.087 61.300 -0.064 0.000 1.427 529 I CB -0.719 37.072 38.000 -0.348 0.000 1.149 529 I HN 0.687 nan 8.210 nan 0.000 0.438 530 S N -0.152 115.694 115.700 0.243 0.000 2.615 530 S HA 0.543 4.986 4.470 -0.044 0.000 0.269 530 S C -0.947 173.973 174.600 0.533 0.000 1.161 530 S CA -0.712 57.715 58.200 0.378 0.000 0.817 530 S CB 2.952 66.375 63.200 0.372 0.000 1.131 530 S HN 0.447 nan 8.310 nan 0.000 0.467 531 H N -0.161 119.074 119.070 0.275 0.000 3.046 531 H HA 0.715 5.244 4.556 -0.044 0.000 0.361 531 H C -1.907 173.261 175.328 -0.267 0.000 1.235 531 H CA -0.122 55.851 56.048 -0.124 0.000 1.146 531 H CB 2.015 31.641 29.762 -0.228 0.000 1.859 531 H HN 0.927 nan 8.280 nan 0.000 0.548 532 T N 1.931 115.644 114.554 -1.402 0.000 2.843 532 T HA 0.309 4.633 4.350 -0.044 0.000 0.302 532 T C -1.298 172.797 174.700 -1.008 0.000 1.232 532 T CA -0.606 60.825 62.100 -1.114 0.000 1.009 532 T CB 2.121 70.536 68.868 -0.755 0.000 1.254 532 T HN 0.667 nan 8.240 nan 0.000 0.504 533 E N 1.754 121.610 120.200 -0.574 0.000 2.231 533 E HA 0.556 4.880 4.350 -0.044 0.000 0.277 533 E C -0.353 176.085 176.600 -0.270 0.000 0.999 533 E CA -0.598 55.604 56.400 -0.330 0.000 0.827 533 E CB 0.826 30.418 29.700 -0.180 0.000 1.101 533 E HN 0.424 nan 8.360 nan 0.000 0.393 534 M N 2.098 121.575 119.600 -0.204 0.000 2.528 534 M HA 0.239 4.693 4.480 -0.044 0.000 0.318 534 M C 1.020 177.218 176.300 -0.170 0.000 1.195 534 M CA -0.108 55.096 55.300 -0.160 0.000 1.000 534 M CB 1.021 33.559 32.600 -0.102 0.000 1.615 534 M HN 0.604 nan 8.290 nan 0.000 0.469 535 E N 0.628 120.697 120.200 -0.220 0.000 2.097 535 E HA -0.164 4.160 4.350 -0.044 0.000 0.196 535 E C -0.030 176.150 176.600 -0.701 0.000 1.000 535 E CA 1.384 57.504 56.400 -0.467 0.000 0.804 535 E CB 0.085 29.468 29.700 -0.529 0.000 0.740 535 E HN 0.525 nan 8.360 nan 0.000 0.454 536 H N -0.779 118.297 119.070 0.010 0.000 2.941 536 H HA 0.284 4.814 4.556 -0.044 0.000 0.344 536 H C -0.635 174.724 175.328 0.051 0.000 1.235 536 H CA -1.005 55.063 56.048 0.034 0.000 1.149 536 H CB 0.645 30.450 29.762 0.072 0.000 1.885 536 H HN -0.143 nan 8.280 nan 0.000 0.558 537 E N 0.920 121.233 120.200 0.188 0.000 2.568 537 E HA 0.036 4.359 4.350 -0.044 0.000 0.262 537 E C -0.653 176.121 176.600 0.290 0.000 0.961 537 E CA 0.111 56.584 56.400 0.122 0.000 0.945 537 E CB 0.438 30.050 29.700 -0.147 0.000 0.924 537 E HN 0.222 nan 8.360 nan 0.000 0.467 538 V N 4.550 124.599 119.914 0.224 0.000 2.488 538 V HA 0.237 4.331 4.120 -0.044 0.000 0.277 538 V C 0.969 177.259 176.094 0.326 0.000 1.046 538 V CA 0.650 63.082 62.300 0.220 0.000 0.986 538 V CB 0.964 32.858 31.823 0.118 0.000 0.989 538 V HN 0.900 nan 8.190 nan 0.000 0.475 539 A N 4.325 127.285 122.820 0.233 0.000 1.901 539 A HA 0.237 4.531 4.320 -0.044 0.000 0.210 539 A C 0.986 178.597 177.584 0.045 0.000 1.208 539 A CA 1.064 53.157 52.037 0.092 0.000 0.644 539 A CB 0.061 18.951 19.000 -0.185 0.000 0.863 539 A HN 0.993 nan 8.150 nan 0.000 0.454 540 C N -2.749 116.574 119.300 0.038 0.000 3.241 540 C HA 0.859 5.293 4.460 -0.044 0.000 0.312 540 C C -0.991 174.024 174.990 0.042 0.000 1.350 540 C CA -1.291 57.747 59.018 0.033 0.000 1.415 540 C CB 0.586 28.341 27.740 0.024 0.000 1.770 540 C HN 0.398 nan 8.230 nan 0.000 0.466 541 L N 0.952 122.199 121.223 0.040 0.000 2.424 541 L HA 0.792 5.106 4.340 -0.044 0.000 0.258 541 L C -1.392 175.493 176.870 0.026 0.000 0.995 541 L CA -0.034 54.827 54.840 0.034 0.000 0.821 541 L CB 2.268 44.349 42.059 0.037 0.000 1.383 541 L HN 0.984 nan 8.230 nan 0.000 0.410 542 D N 1.009 121.415 120.400 0.011 0.000 2.803 542 D HA 0.529 5.143 4.640 -0.044 0.000 0.218 542 D C -0.876 175.404 176.300 -0.033 0.000 1.245 542 D CA -0.423 53.573 54.000 -0.007 0.000 0.821 542 D CB 1.843 42.652 40.800 0.016 0.000 1.626 542 D HN 0.467 nan 8.370 nan 0.000 0.487 543 I N 0.113 120.648 120.570 -0.059 0.000 3.007 543 I HA 0.362 4.505 4.170 -0.044 0.000 0.333 543 I C -0.511 175.559 176.117 -0.078 0.000 1.489 543 I CA -0.621 60.631 61.300 -0.080 0.000 0.906 543 I CB 1.056 38.998 38.000 -0.096 0.000 1.702 543 I HN 0.068 nan 8.210 nan 0.000 0.548 544 T N 5.174 119.691 114.554 -0.061 0.000 2.799 544 T HA 0.222 4.546 4.350 -0.044 0.000 0.296 544 T C -2.252 172.404 174.700 -0.073 0.000 0.947 544 T CA -0.556 61.511 62.100 -0.055 0.000 1.141 544 T CB 0.214 69.061 68.868 -0.035 0.000 0.891 544 T HN 0.293 nan 8.240 nan 0.000 0.533 545 P HA 0.277 nan 4.420 nan 0.000 0.276 545 P C -0.876 176.364 177.300 -0.101 0.000 1.235 545 P CA -0.309 62.741 63.100 -0.083 0.000 0.772 545 P CB 0.634 32.298 31.700 -0.061 0.000 0.871 546 L N 2.987 124.117 121.223 -0.154 0.000 2.333 546 L HA 0.810 5.124 4.340 -0.044 0.000 0.280 546 L C 0.823 177.575 176.870 -0.197 0.000 1.004 546 L CA -0.256 54.448 54.840 -0.226 0.000 0.820 546 L CB 1.687 43.479 42.059 -0.445 0.000 1.247 546 L HN 0.735 nan 8.230 nan 0.000 0.416 552 L N 1.876 123.083 121.223 -0.027 0.000 2.356 552 L HA 0.722 5.035 4.340 -0.044 0.000 0.264 552 L C 0.442 177.288 176.870 -0.040 0.000 1.029 552 L CA -0.562 54.266 54.840 -0.019 0.000 0.897 552 L CB 1.481 43.539 42.059 -0.001 0.000 1.256 552 L HN 0.237 nan 8.230 nan 0.000 0.444 553 S N 5.615 121.279 115.700 -0.061 0.000 2.516 553 S HA 0.300 4.744 4.470 -0.044 0.000 0.282 553 S C -1.434 173.089 174.600 -0.129 0.000 1.286 553 S CA -0.808 57.334 58.200 -0.097 0.000 1.066 553 S CB 0.623 63.758 63.200 -0.108 0.000 0.884 553 S HN 0.617 nan 8.310 nan 0.000 0.491 554 P HA 0.203 nan 4.420 nan 0.000 0.255 554 P C -0.421 176.772 177.300 -0.178 0.000 1.248 554 P CA 0.291 63.303 63.100 -0.146 0.000 0.807 554 P CB 0.073 31.711 31.700 -0.102 0.000 1.150 555 L N -0.525 120.598 121.223 -0.167 0.000 2.341 555 L HA 0.587 4.901 4.340 -0.044 0.000 0.267 555 L C -0.302 176.476 176.870 -0.153 0.000 1.009 555 L CA -1.098 53.652 54.840 -0.150 0.000 0.819 555 L CB 2.397 44.388 42.059 -0.113 0.000 1.323 555 L HN -0.194 nan 8.230 nan 0.000 0.425 556 C N 2.204 121.430 119.300 -0.123 0.000 2.442 556 C HA 0.793 5.226 4.460 -0.044 0.000 0.335 556 C C 0.342 175.311 174.990 -0.035 0.000 1.134 556 C CA -0.503 58.466 59.018 -0.082 0.000 1.344 556 C CB 0.135 27.830 27.740 -0.075 0.000 1.956 556 C HN 0.890 nan 8.230 nan 0.000 0.438 557 A N 6.000 128.804 122.820 -0.026 0.000 2.363 557 A HA 0.729 5.023 4.320 -0.044 0.000 0.270 557 A C -0.523 177.067 177.584 0.010 0.000 1.121 557 A CA -0.234 51.798 52.037 -0.009 0.000 0.800 557 A CB 0.366 19.367 19.000 0.001 0.000 1.052 557 A HN 1.246 nan 8.150 nan 0.000 0.493 558 I N 1.112 121.690 120.570 0.014 0.000 2.802 558 I HA 0.724 4.868 4.170 -0.044 0.000 0.298 558 I C -0.022 176.109 176.117 0.024 0.000 1.176 558 I CA -0.505 60.811 61.300 0.026 0.000 1.025 558 I CB 2.305 40.325 38.000 0.033 0.000 1.243 558 I HN 0.727 nan 8.210 nan 0.000 0.424 559 G N 7.014 115.832 108.800 0.031 0.000 2.566 559 G HA2 0.681 4.615 3.960 -0.044 0.000 0.311 559 G HA3 0.681 4.615 3.960 -0.044 0.000 0.311 559 G C -1.681 173.241 174.900 0.037 0.000 1.322 559 G CA -0.581 44.531 45.100 0.020 0.000 0.969 559 G HN 0.539 nan 8.290 nan 0.000 0.490 560 L N 1.040 122.287 121.223 0.041 0.000 2.346 560 L HA 0.487 4.800 4.340 -0.044 0.000 0.274 560 L C -0.074 176.851 176.870 0.092 0.000 1.007 560 L CA -0.987 53.921 54.840 0.113 0.000 0.818 560 L CB 2.002 44.155 42.059 0.158 0.000 1.284 560 L HN 0.586 nan 8.230 nan 0.000 0.424 561 W N 1.935 123.248 121.300 0.022 0.000 1.918 561 W HA 0.044 4.678 4.660 -0.044 0.000 0.355 561 W C 1.756 178.231 176.519 -0.074 0.000 1.368 561 W CA 1.413 58.757 57.345 -0.002 0.000 1.412 561 W CB 0.071 29.544 29.460 0.023 0.000 1.309 561 W HN 0.780 nan 8.180 nan 0.000 0.667 562 T N -0.741 113.965 114.554 0.253 0.000 12.566 562 T HA -0.434 3.890 4.350 -0.044 0.000 0.419 562 T C 0.812 175.405 174.700 -0.179 0.000 1.442 562 T CA 2.072 64.181 62.100 0.015 0.000 2.381 562 T CB -1.389 67.449 68.868 -0.049 0.000 2.842 562 T HN 0.779 nan 8.240 nan 0.000 0.781 563 D N 2.834 123.016 120.400 -0.364 0.000 2.348 563 D HA 0.211 4.825 4.640 -0.044 0.000 0.211 563 D C 0.714 176.940 176.300 -0.122 0.000 0.998 563 D CA 0.224 54.044 54.000 -0.301 0.000 0.873 563 D CB -0.441 40.126 40.800 -0.389 0.000 0.925 563 D HN 0.640 nan 8.370 nan 0.000 0.524 564 I N 1.130 121.648 120.570 -0.087 0.000 7.627 564 I HA -0.243 3.900 4.170 -0.044 0.000 0.126 564 I C -0.539 175.538 176.117 -0.066 0.000 1.803 564 I CA 0.726 61.985 61.300 -0.067 0.000 2.130 564 I CB -1.351 36.614 38.000 -0.059 0.000 3.611 564 I HN 0.367 nan 8.210 nan 0.000 0.197 565 S N 2.692 118.363 115.700 -0.048 0.000 2.564 565 S HA 0.979 5.423 4.470 -0.044 0.000 0.274 565 S C -0.557 174.020 174.600 -0.038 0.000 1.124 565 S CA -0.357 57.814 58.200 -0.048 0.000 0.869 565 S CB 2.398 65.588 63.200 -0.018 0.000 1.105 565 S HN 1.283 nan 8.310 nan 0.000 0.472 566 A N 2.349 125.133 122.820 -0.061 0.000 2.330 566 A HA 0.863 5.157 4.320 -0.044 0.000 0.313 566 A C -0.137 177.409 177.584 -0.063 0.000 1.124 566 A CA -0.989 51.015 52.037 -0.055 0.000 0.774 566 A CB 0.891 19.850 19.000 -0.068 0.000 1.198 566 A HN 0.929 nan 8.150 nan 0.000 0.465 567 R N 2.403 122.886 120.500 -0.028 0.000 2.795 567 R HA 0.703 5.016 4.340 -0.044 0.000 0.275 567 R C -1.498 174.794 176.300 -0.012 0.000 0.981 567 R CA -0.783 55.312 56.100 -0.008 0.000 0.917 567 R CB 1.142 31.447 30.300 0.008 0.000 1.202 567 R HN 0.404 nan 8.270 nan 0.000 0.469 568 I N 3.360 123.928 120.570 -0.003 0.000 2.377 568 I HA 0.423 4.567 4.170 -0.044 0.000 0.293 568 I C 0.051 176.166 176.117 -0.005 0.000 0.987 568 I CA -0.946 60.344 61.300 -0.017 0.000 1.185 568 I CB 1.255 39.236 38.000 -0.032 0.000 1.341 568 I HN 0.503 nan 8.210 nan 0.000 0.455 569 L N 4.984 126.199 121.223 -0.013 0.000 2.354 569 L HA 0.540 4.854 4.340 -0.044 0.000 0.269 569 L C 0.086 176.909 176.870 -0.079 0.000 1.005 569 L CA -0.949 53.886 54.840 -0.008 0.000 0.819 569 L CB 2.291 44.396 42.059 0.076 0.000 1.311 569 L HN 0.479 nan 8.230 nan 0.000 0.423 570 K N 1.769 122.108 120.400 -0.100 0.000 2.174 570 K HA 0.587 4.880 4.320 -0.044 0.000 0.275 570 K C -1.097 175.318 176.600 -0.308 0.000 1.015 570 K CA -0.489 55.700 56.287 -0.163 0.000 0.933 570 K CB 0.967 33.399 32.500 -0.113 0.000 1.025 570 K HN 0.462 nan 8.250 nan 0.000 0.463 571 L N 5.651 126.650 121.223 -0.374 0.000 2.322 571 L HA 0.371 4.684 4.340 -0.044 0.000 0.279 571 L C -1.364 175.334 176.870 -0.286 0.000 1.036 571 L CA -1.750 52.762 54.840 -0.547 0.000 0.807 571 L CB 1.570 43.163 42.059 -0.776 0.000 1.226 571 L HN 0.691 nan 8.230 nan 0.000 0.433 572 P HA -0.007 nan 4.420 nan 0.000 0.251 572 P C 1.167 178.264 177.300 -0.338 0.000 1.223 572 P CA 0.322 63.298 63.100 -0.207 0.000 0.796 572 P CB 0.441 32.207 31.700 0.111 0.000 1.068 573 S N -0.151 115.415 115.700 -0.223 0.000 2.402 573 S HA -0.131 4.313 4.470 -0.044 0.000 0.229 573 S C 0.975 175.582 174.600 0.012 0.000 1.021 573 S CA 0.403 58.556 58.200 -0.078 0.000 0.974 573 S CB -1.503 61.676 63.200 -0.036 0.000 0.800 573 S HN 0.132 nan 8.310 nan 0.000 0.484 574 F N 0.728 120.642 119.950 -0.059 0.000 2.926 574 F HA -0.146 4.355 4.527 -0.044 0.000 0.288 574 F C 0.408 176.167 175.800 -0.068 0.000 0.756 574 F CA 0.539 58.492 58.000 -0.079 0.000 1.292 574 F CB -2.035 36.910 39.000 -0.092 0.000 1.482 574 F HN 0.363 nan 8.300 nan 0.000 0.400 575 E N 1.739 121.967 120.200 0.047 0.000 2.366 575 E HA 0.241 4.565 4.350 -0.044 0.000 0.266 575 E C 0.173 176.779 176.600 0.010 0.000 1.015 575 E CA -0.410 56.001 56.400 0.019 0.000 0.906 575 E CB 0.682 30.377 29.700 -0.009 0.000 0.979 575 E HN 0.339 nan 8.360 nan 0.000 0.443 576 L N 5.591 126.819 121.223 0.007 0.000 2.462 576 L HA -0.037 4.276 4.340 -0.044 0.000 0.272 576 L C 0.728 177.592 176.870 -0.011 0.000 1.166 576 L CA 0.185 55.023 54.840 -0.002 0.000 0.880 576 L CB 0.395 42.444 42.059 -0.015 0.000 1.142 576 L HN 0.748 nan 8.230 nan 0.000 0.473 577 L N 3.441 124.664 121.223 -0.001 0.000 2.577 577 L HA 0.250 4.564 4.340 -0.044 0.000 0.225 577 L C -0.133 176.766 176.870 0.048 0.000 1.053 577 L CA -0.323 54.522 54.840 0.008 0.000 0.866 577 L CB 0.265 42.325 42.059 0.001 0.000 1.132 577 L HN 0.630 nan 8.230 nan 0.000 0.486 578 H N -0.078 118.951 119.070 -0.068 0.000 3.087 578 H HA 0.315 4.844 4.556 -0.044 0.000 0.348 578 H C -1.173 174.096 175.328 -0.098 0.000 1.092 578 H CA -0.652 55.343 56.048 -0.089 0.000 1.285 578 H CB 1.680 31.372 29.762 -0.117 0.000 1.875 578 H HN -0.208 nan 8.280 nan 0.000 0.512 579 K N 3.689 123.970 120.400 -0.198 0.000 2.307 579 K HA 0.296 4.590 4.320 -0.044 0.000 0.263 579 K C -1.126 175.421 176.600 -0.088 0.000 0.973 579 K CA -0.713 55.525 56.287 -0.081 0.000 0.846 579 K CB 1.318 33.760 32.500 -0.096 0.000 1.100 579 K HN 0.572 nan 8.250 nan 0.000 0.438 580 E N 4.604 124.818 120.200 0.023 0.000 2.176 580 E HA 0.243 4.567 4.350 -0.044 0.000 0.267 580 E C -0.864 175.689 176.600 -0.079 0.000 0.893 580 E CA -0.707 55.684 56.400 -0.017 0.000 0.761 580 E CB 0.842 30.456 29.700 -0.142 0.000 1.133 580 E HN 0.424 nan 8.360 nan 0.000 0.409 581 M N 4.966 124.524 119.600 -0.071 0.000 2.274 581 M HA 0.268 4.722 4.480 -0.044 0.000 0.344 581 M C 0.295 176.508 176.300 -0.145 0.000 1.161 581 M CA -0.046 55.203 55.300 -0.085 0.000 1.126 581 M CB 0.653 33.220 32.600 -0.055 0.000 1.522 581 M HN 0.747 nan 8.290 nan 0.000 0.461 582 L N 0.738 121.854 121.223 -0.180 0.000 2.766 582 L HA 0.427 4.741 4.340 -0.044 0.000 0.241 582 L C 0.777 177.568 176.870 -0.131 0.000 1.080 582 L CA 0.043 54.683 54.840 -0.334 0.000 0.909 582 L CB 0.474 42.268 42.059 -0.441 0.000 1.277 582 L HN 0.975 nan 8.230 nan 0.000 0.510 583 G N 0.219 108.988 108.800 -0.051 0.000 2.785 583 G HA2 0.279 4.213 3.960 -0.044 0.000 0.686 583 G HA3 0.279 4.213 3.960 -0.044 0.000 0.686 583 G C 0.134 175.052 174.900 0.030 0.000 1.155 583 G CA -0.499 44.605 45.100 0.007 0.000 0.760 583 G HN 0.667 nan 8.290 nan 0.000 0.624 584 G N 0.549 109.362 108.800 0.020 0.000 2.797 584 G HA2 0.290 4.224 3.960 -0.044 0.000 0.686 584 G HA3 0.290 4.224 3.960 -0.044 0.000 0.686 584 G C 0.084 174.991 174.900 0.011 0.000 1.452 584 G CA 0.615 45.728 45.100 0.022 0.000 0.986 584 G HN 1.772 nan 8.290 nan 0.000 0.595 585 E N 1.323 121.529 120.200 0.010 0.000 1.795 585 E HA 0.254 4.578 4.350 -0.044 0.000 0.261 585 E C 0.678 177.274 176.600 -0.006 0.000 1.238 585 E CA -0.039 56.363 56.400 0.004 0.000 1.001 585 E CB -0.433 29.279 29.700 0.021 0.000 1.065 585 E HN 0.792 nan 8.360 nan 0.000 0.418 586 I N 3.429 123.985 120.570 -0.024 0.000 2.599 586 I HA 0.270 4.414 4.170 -0.044 0.000 0.285 586 I C 0.270 176.332 176.117 -0.090 0.000 1.168 586 I CA -1.073 60.198 61.300 -0.049 0.000 1.060 586 I CB 0.394 38.387 38.000 -0.010 0.000 1.249 586 I HN 0.131 nan 8.210 nan 0.000 0.442 587 I N 3.412 123.858 120.570 -0.206 0.000 2.696 587 I HA 0.454 4.598 4.170 -0.044 0.000 0.284 587 I C -2.305 173.690 176.117 -0.204 0.000 1.129 587 I CA -1.595 59.520 61.300 -0.307 0.000 1.410 587 I CB 0.059 37.623 38.000 -0.727 0.000 1.399 587 I HN 0.254 nan 8.210 nan 0.000 0.579 588 P HA 0.178 nan 4.420 nan 0.000 0.271 588 P C -0.354 176.885 177.300 -0.103 0.000 1.216 588 P CA -0.237 62.824 63.100 -0.064 0.000 0.771 588 P CB 0.571 32.258 31.700 -0.023 0.000 0.864 589 R N 0.422 120.893 120.500 -0.047 0.000 2.476 589 R HA 0.286 4.600 4.340 -0.044 0.000 0.276 589 R C 0.050 176.359 176.300 0.014 0.000 0.941 589 R CA 0.208 56.284 56.100 -0.041 0.000 1.088 589 R CB 0.519 30.795 30.300 -0.040 0.000 1.216 589 R HN 0.390 nan 8.270 nan 0.000 0.533 590 S N 0.541 116.265 115.700 0.040 0.000 2.605 590 S HA 0.486 4.929 4.470 -0.044 0.000 0.279 590 S C -1.547 173.109 174.600 0.092 0.000 1.166 590 S CA -0.615 57.628 58.200 0.071 0.000 0.975 590 S CB 0.926 64.175 63.200 0.082 0.000 1.111 590 S HN 0.208 nan 8.310 nan 0.000 0.465 591 I N 4.915 125.539 120.570 0.090 0.000 2.608 591 I HA 0.818 4.962 4.170 -0.044 0.000 0.295 591 I C -1.738 174.439 176.117 0.099 0.000 1.049 591 I CA -1.011 60.351 61.300 0.103 0.000 1.063 591 I CB 1.629 39.677 38.000 0.080 0.000 1.248 591 I HN 0.680 nan 8.210 nan 0.000 0.424 592 L N 7.474 128.768 121.223 0.118 0.000 2.505 592 L HA 0.565 4.879 4.340 -0.044 0.000 0.259 592 L C -1.693 175.238 176.870 0.101 0.000 0.952 592 L CA -0.332 54.569 54.840 0.100 0.000 0.840 592 L CB 2.201 44.328 42.059 0.115 0.000 1.358 592 L HN 0.573 nan 8.230 nan 0.000 0.409 593 M N 3.611 123.245 119.600 0.056 0.000 2.238 593 M HA 0.677 5.131 4.480 -0.044 0.000 0.350 593 M C -0.780 175.522 176.300 0.004 0.000 1.138 593 M CA -0.250 55.073 55.300 0.040 0.000 1.040 593 M CB 1.802 34.395 32.600 -0.010 0.000 1.639 593 M HN 0.725 nan 8.290 nan 0.000 0.451 594 T N 0.140 114.697 114.554 0.004 0.000 2.868 594 T HA 0.514 4.838 4.350 -0.044 0.000 0.306 594 T C -0.786 173.855 174.700 -0.098 0.000 1.224 594 T CA -0.880 61.137 62.100 -0.139 0.000 1.012 594 T CB 2.016 70.676 68.868 -0.347 0.000 1.221 594 T HN 0.506 nan 8.240 nan 0.000 0.499 595 T N 1.947 116.375 114.554 -0.210 0.000 2.786 595 T HA 0.645 4.969 4.350 -0.044 0.000 0.283 595 T C -1.116 173.407 174.700 -0.294 0.000 0.992 595 T CA -0.439 61.637 62.100 -0.041 0.000 0.954 595 T CB 0.159 69.112 68.868 0.140 0.000 0.934 595 T HN 0.424 nan 8.240 nan 0.000 0.440 596 F N 1.365 121.466 119.950 0.252 0.000 2.467 596 F HA 0.379 4.880 4.527 -0.044 0.000 0.336 596 F C 1.038 176.936 175.800 0.163 0.000 1.123 596 F CA -1.038 57.053 58.000 0.152 0.000 0.964 596 F CB 1.298 40.337 39.000 0.066 0.000 1.136 596 F HN 0.622 nan 8.300 nan 0.000 0.447 597 E N 1.763 122.135 120.200 0.286 0.000 2.238 597 E HA -0.282 4.042 4.350 -0.044 0.000 0.219 597 E C 0.226 176.936 176.600 0.184 0.000 1.275 597 E CA 0.765 57.300 56.400 0.225 0.000 0.714 597 E CB -1.085 28.758 29.700 0.238 0.000 1.154 597 E HN 0.802 nan 8.360 nan 0.000 0.363 598 S N -1.958 113.796 115.700 0.090 0.000 3.476 598 S HA -0.214 4.229 4.470 -0.044 0.000 0.309 598 S C -0.032 174.444 174.600 -0.206 0.000 1.222 598 S CA 1.100 59.273 58.200 -0.044 0.000 0.922 598 S CB -0.702 62.482 63.200 -0.028 0.000 1.023 598 S HN 0.402 nan 8.310 nan 0.000 0.591 599 S N 1.398 117.032 115.700 -0.110 0.000 2.478 599 S HA 0.489 4.933 4.470 -0.044 0.000 0.312 599 S C -0.483 173.944 174.600 -0.288 0.000 1.094 599 S CA -0.670 57.369 58.200 -0.268 0.000 1.081 599 S CB 0.544 63.682 63.200 -0.104 0.000 1.007 599 S HN 0.374 nan 8.310 nan 0.000 0.475 600 H N 2.903 121.824 119.070 -0.249 0.000 2.620 600 H HA 0.371 4.901 4.556 -0.044 0.000 0.313 600 H C -0.964 174.178 175.328 -0.309 0.000 1.075 600 H CA 0.045 55.987 56.048 -0.177 0.000 1.397 600 H CB 0.222 29.919 29.762 -0.108 0.000 1.446 600 H HN 0.517 nan 8.280 nan 0.000 0.493 601 Y N 1.230 121.638 120.300 0.179 0.000 2.524 601 Y HA 0.252 4.776 4.550 -0.044 0.000 0.344 601 Y C 0.027 176.034 175.900 0.178 0.000 1.012 601 Y CA -0.951 57.271 58.100 0.204 0.000 1.068 601 Y CB 2.138 40.753 38.460 0.258 0.000 1.249 601 Y HN 0.371 nan 8.280 nan 0.000 0.468 602 L N 4.841 126.309 121.223 0.408 0.000 2.296 602 L HA 0.589 4.902 4.340 -0.044 0.000 0.286 602 L C -1.558 175.589 176.870 0.462 0.000 1.023 602 L CA -0.557 54.489 54.840 0.344 0.000 0.812 602 L CB 0.857 43.068 42.059 0.252 0.000 1.223 602 L HN 0.649 nan 8.230 nan 0.000 0.421 603 L N 5.281 126.715 121.223 0.351 0.000 2.346 603 L HA 0.558 4.871 4.340 -0.044 0.000 0.276 603 L C -0.593 176.460 176.870 0.305 0.000 1.006 603 L CA -0.556 54.494 54.840 0.350 0.000 0.817 603 L CB 2.070 44.291 42.059 0.269 0.000 1.272 603 L HN 0.604 nan 8.230 nan 0.000 0.421 604 C N 2.957 122.464 119.300 0.345 0.000 2.481 604 C HA 0.854 5.288 4.460 -0.044 0.000 0.324 604 C C -0.122 175.031 174.990 0.272 0.000 1.170 604 C CA -0.270 58.922 59.018 0.290 0.000 1.361 604 C CB 0.866 28.799 27.740 0.321 0.000 1.977 604 C HN 0.928 nan 8.230 nan 0.000 0.459 605 A N 6.786 129.714 122.820 0.180 0.000 2.287 605 A HA 0.729 5.023 4.320 -0.044 0.000 0.317 605 A C -0.703 176.938 177.584 0.095 0.000 1.220 605 A CA -0.428 51.684 52.037 0.126 0.000 0.835 605 A CB 0.513 19.564 19.000 0.085 0.000 1.180 605 A HN 0.932 nan 8.150 nan 0.000 0.500 606 L N 2.135 123.416 121.223 0.096 0.000 2.418 606 L HA 0.350 4.664 4.340 -0.044 0.000 0.265 606 L C 1.686 178.557 176.870 0.002 0.000 1.143 606 L CA -0.275 54.598 54.840 0.055 0.000 0.809 606 L CB 1.020 43.136 42.059 0.096 0.000 1.124 606 L HN 0.886 nan 8.230 nan 0.000 0.456 607 G N 0.148 108.929 108.800 -0.031 0.000 2.708 607 G HA2 -0.216 3.718 3.960 -0.044 0.000 0.210 607 G HA3 -0.216 3.718 3.960 -0.044 0.000 0.210 607 G C 0.868 175.750 174.900 -0.031 0.000 1.141 607 G CA 0.557 45.633 45.100 -0.040 0.000 0.788 607 G HN 0.867 nan 8.290 nan 0.000 0.531 608 D N -1.259 119.127 120.400 -0.023 0.000 2.327 608 D HA 0.243 4.857 4.640 -0.044 0.000 0.205 608 D C 1.950 178.228 176.300 -0.036 0.000 0.989 608 D CA 1.441 55.428 54.000 -0.022 0.000 0.873 608 D CB -0.009 40.787 40.800 -0.007 0.000 0.955 608 D HN 0.242 nan 8.370 nan 0.000 0.515 609 G N -0.256 108.518 108.800 -0.043 0.000 2.391 609 G HA2 -0.100 3.834 3.960 -0.044 0.000 0.204 609 G HA3 -0.100 3.834 3.960 -0.044 0.000 0.204 609 G C 0.571 175.416 174.900 -0.093 0.000 1.012 609 G CA 0.074 45.136 45.100 -0.065 0.000 0.651 609 G HN 0.671 nan 8.290 nan 0.000 0.494 610 A N 0.180 122.938 122.820 -0.104 0.000 2.520 610 A HA 0.594 4.888 4.320 -0.044 0.000 0.235 610 A C -0.058 177.422 177.584 -0.174 0.000 1.065 610 A CA 1.089 53.006 52.037 -0.200 0.000 0.764 610 A CB 0.677 19.529 19.000 -0.245 0.000 1.002 610 A HN 1.567 nan 8.150 nan 0.000 0.502 611 L N 2.784 123.850 121.223 -0.262 0.000 2.415 611 L HA 0.639 4.953 4.340 -0.044 0.000 0.268 611 L C -1.292 175.482 176.870 -0.159 0.000 0.984 611 L CA -0.177 54.599 54.840 -0.106 0.000 0.853 611 L CB 0.679 42.717 42.059 -0.035 0.000 1.215 611 L HN 0.589 nan 8.230 nan 0.000 0.419 612 F N 4.815 124.798 119.950 0.055 0.000 2.375 612 F HA 0.558 5.059 4.527 -0.044 0.000 0.333 612 F C -0.203 175.590 175.800 -0.011 0.000 1.104 612 F CA 0.064 58.014 58.000 -0.083 0.000 1.149 612 F CB 1.012 39.988 39.000 -0.039 0.000 1.190 612 F HN 0.475 nan 8.300 nan 0.000 0.533 613 Y N 0.090 120.233 120.300 -0.261 0.000 2.544 613 Y HA 0.784 5.308 4.550 -0.044 0.000 0.342 613 Y C -2.071 173.555 175.900 -0.457 0.000 1.062 613 Y CA -2.238 55.761 58.100 -0.168 0.000 1.023 613 Y CB 1.169 39.670 38.460 0.068 0.000 1.308 613 Y HN 0.401 nan 8.280 nan 0.000 0.457 614 F N 0.708 120.862 119.950 0.341 0.000 2.613 614 F HA 0.773 5.274 4.527 -0.044 0.000 0.314 614 F C 0.589 176.521 175.800 0.220 0.000 1.075 614 F CA -1.349 56.756 58.000 0.176 0.000 0.945 614 F CB 2.252 41.276 39.000 0.042 0.000 1.310 614 F HN 0.895 nan 8.300 nan 0.000 0.467 615 G N 1.184 110.139 108.800 0.258 0.000 2.403 615 G HA2 0.476 4.410 3.960 -0.044 0.000 0.259 615 G HA3 0.476 4.410 3.960 -0.044 0.000 0.259 615 G C -1.720 173.198 174.900 0.030 0.000 1.244 615 G CA -0.249 44.867 45.100 0.027 0.000 0.849 615 G HN 0.501 nan 8.290 nan 0.000 0.532 616 L N 2.224 123.432 121.223 -0.026 0.000 2.319 616 L HA 0.436 4.749 4.340 -0.044 0.000 0.281 616 L C -0.450 176.428 176.870 0.014 0.000 1.005 616 L CA -1.112 53.732 54.840 0.006 0.000 0.828 616 L CB 1.626 43.711 42.059 0.044 0.000 1.227 616 L HN 0.445 nan 8.230 nan 0.000 0.415 617 N N 4.851 123.547 118.700 -0.007 0.000 2.415 617 N HA 0.145 4.859 4.740 -0.044 0.000 0.246 617 N C 1.042 176.551 175.510 -0.001 0.000 1.078 617 N CA -0.187 52.867 53.050 0.006 0.000 0.942 617 N CB 0.594 39.077 38.487 -0.007 0.000 1.140 617 N HN 0.753 nan 8.380 nan 0.000 0.501 618 I N -0.175 120.404 120.570 0.016 0.000 3.444 618 I HA 0.091 4.235 4.170 -0.044 0.000 0.287 618 I C 0.845 176.936 176.117 -0.044 0.000 1.302 618 I CA 0.816 62.085 61.300 -0.052 0.000 1.368 618 I CB 0.138 38.046 38.000 -0.155 0.000 1.048 618 I HN 0.330 nan 8.210 nan 0.000 0.487 619 E N 0.958 121.146 120.200 -0.020 0.000 2.389 619 E HA -0.014 4.310 4.350 -0.044 0.000 0.199 619 E C 1.722 178.308 176.600 -0.022 0.000 0.978 619 E CA 1.017 57.404 56.400 -0.022 0.000 0.912 619 E CB 0.469 30.162 29.700 -0.011 0.000 0.907 619 E HN 0.692 nan 8.360 nan 0.000 0.494 620 T N -4.315 110.228 114.554 -0.018 0.000 2.975 620 T HA 0.241 4.565 4.350 -0.044 0.000 0.261 620 T C 1.451 176.144 174.700 -0.011 0.000 0.984 620 T CA 0.430 62.522 62.100 -0.013 0.000 0.911 620 T CB 0.918 69.783 68.868 -0.005 0.000 1.127 620 T HN 0.135 nan 8.240 nan 0.000 0.514 621 G N 1.743 110.531 108.800 -0.021 0.000 2.198 621 G HA2 -0.196 3.738 3.960 -0.044 0.000 0.260 621 G HA3 -0.196 3.738 3.960 -0.044 0.000 0.260 621 G C -0.147 174.744 174.900 -0.014 0.000 1.025 621 G CA 0.292 45.376 45.100 -0.026 0.000 0.769 621 G HN 0.883 nan 8.290 nan 0.000 0.507 622 L N 0.530 121.749 121.223 -0.007 0.000 2.349 622 L HA 0.719 5.033 4.340 -0.044 0.000 0.275 622 L C 0.296 177.088 176.870 -0.130 0.000 1.115 622 L CA -0.701 54.149 54.840 0.016 0.000 0.820 622 L CB 0.750 42.838 42.059 0.049 0.000 1.135 622 L HN 0.131 nan 8.230 nan 0.000 0.445 623 L N 5.516 126.493 121.223 -0.409 0.000 2.272 623 L HA 0.553 4.867 4.340 -0.044 0.000 0.289 623 L C 0.176 176.971 176.870 -0.125 0.000 1.032 623 L CA -0.369 54.197 54.840 -0.457 0.000 0.810 623 L CB 1.254 42.659 42.059 -1.089 0.000 1.205 623 L HN 0.889 nan 8.230 nan 0.000 0.422 624 S N -0.110 115.619 115.700 0.049 0.000 2.715 624 S HA 0.498 4.942 4.470 -0.044 0.000 0.307 624 S C -0.399 174.299 174.600 0.163 0.000 1.119 624 S CA -0.763 57.498 58.200 0.102 0.000 0.937 624 S CB 1.961 65.188 63.200 0.046 0.000 1.150 624 S HN 0.721 nan 8.310 nan 0.000 0.521 625 D N 0.219 120.675 120.400 0.092 0.000 2.705 625 D HA -0.145 4.468 4.640 -0.044 0.000 0.240 625 D C -0.134 176.129 176.300 -0.063 0.000 1.137 625 D CA 0.637 54.653 54.000 0.027 0.000 0.677 625 D CB -0.887 39.934 40.800 0.036 0.000 1.049 625 D HN 0.586 nan 8.370 nan 0.000 0.427 626 R N 1.415 121.904 120.500 -0.018 0.000 2.480 626 R HA 0.100 4.414 4.340 -0.044 0.000 0.303 626 R C -0.278 175.827 176.300 -0.324 0.000 0.985 626 R CA 0.553 56.531 56.100 -0.202 0.000 1.051 626 R CB 0.386 30.739 30.300 0.089 0.000 0.935 626 R HN 0.130 nan 8.270 nan 0.000 0.410 627 K N 3.759 123.792 120.400 -0.611 0.000 2.477 627 K HA 0.347 4.640 4.320 -0.044 0.000 0.255 627 K C -1.169 175.109 176.600 -0.537 0.000 0.952 627 K CA -0.963 54.959 56.287 -0.608 0.000 0.826 627 K CB 2.481 34.404 32.500 -0.962 0.000 1.331 627 K HN 0.406 nan 8.250 nan 0.000 0.437 628 K N 1.746 121.920 120.400 -0.377 0.000 2.482 628 K HA 0.453 4.747 4.320 -0.044 0.000 0.251 628 K C -1.288 175.121 176.600 -0.317 0.000 0.936 628 K CA -0.668 55.334 56.287 -0.475 0.000 0.791 628 K CB 1.825 33.938 32.500 -0.645 0.000 1.213 628 K HN 0.502 nan 8.250 nan 0.000 0.428 629 V N -0.613 119.107 119.914 -0.323 0.000 3.040 629 V HA 0.642 4.736 4.120 -0.044 0.000 0.312 629 V C -0.732 175.167 176.094 -0.326 0.000 1.115 629 V CA -0.706 61.400 62.300 -0.324 0.000 0.998 629 V CB 1.794 33.313 31.823 -0.506 0.000 1.042 629 V HN 0.717 nan 8.190 nan 0.000 0.433 630 T N 4.059 118.450 114.554 -0.272 0.000 2.771 630 T HA 0.700 5.024 4.350 -0.044 0.000 0.281 630 T C -0.322 174.250 174.700 -0.212 0.000 0.982 630 T CA -0.112 61.861 62.100 -0.213 0.000 0.978 630 T CB 0.785 69.562 68.868 -0.151 0.000 0.930 630 T HN 0.642 nan 8.240 nan 0.000 0.447 631 L N 3.606 124.721 121.223 -0.181 0.000 2.502 631 L HA 0.576 4.890 4.340 -0.044 0.000 0.247 631 L C 1.054 177.860 176.870 -0.107 0.000 1.180 631 L CA -0.575 54.172 54.840 -0.155 0.000 0.956 631 L CB 0.125 42.090 42.059 -0.156 0.000 1.282 631 L HN 1.004 nan 8.230 nan 0.000 0.470 632 G N 1.540 110.283 108.800 -0.094 0.000 2.593 632 G HA2 -0.299 3.634 3.960 -0.044 0.000 0.237 632 G HA3 -0.299 3.634 3.960 -0.044 0.000 0.237 632 G C 0.481 175.343 174.900 -0.064 0.000 1.312 632 G CA 0.206 45.264 45.100 -0.071 0.000 0.896 632 G HN 0.560 nan 8.290 nan 0.000 0.574 633 T N -3.029 111.494 114.554 -0.051 0.000 2.989 633 T HA 0.317 4.641 4.350 -0.044 0.000 0.250 633 T C 1.015 175.692 174.700 -0.038 0.000 0.981 633 T CA 1.019 63.094 62.100 -0.042 0.000 0.980 633 T CB 0.167 69.016 68.868 -0.032 0.000 1.133 633 T HN 0.742 nan 8.240 nan 0.000 0.489 634 Q N 2.711 122.487 119.800 -0.040 0.000 2.524 634 Q HA 0.250 4.563 4.340 -0.044 0.000 0.246 634 Q C -2.391 173.584 176.000 -0.042 0.000 1.063 634 Q CA -1.495 54.284 55.803 -0.040 0.000 0.945 634 Q CB -0.185 28.522 28.738 -0.051 0.000 1.292 634 Q HN 0.296 nan 8.270 nan 0.000 0.518 635 P HA -0.007 nan 4.420 nan 0.000 0.268 635 P C -0.660 176.613 177.300 -0.044 0.000 1.204 635 P CA 0.302 63.380 63.100 -0.036 0.000 0.768 635 P CB 0.306 31.989 31.700 -0.029 0.000 0.842 636 T N 2.754 117.293 114.554 -0.025 0.000 2.767 636 T HA 0.267 4.590 4.350 -0.044 0.000 0.288 636 T C 0.211 174.917 174.700 0.008 0.000 0.963 636 T CA -0.331 61.760 62.100 -0.015 0.000 1.019 636 T CB 0.549 69.418 68.868 0.000 0.000 0.923 636 T HN 0.065 nan 8.240 nan 0.000 0.468 637 V N 5.746 125.659 119.914 -0.001 0.000 2.383 637 V HA 0.375 4.469 4.120 -0.044 0.000 0.275 637 V C 0.084 176.241 176.094 0.105 0.000 1.036 637 V CA -0.688 61.638 62.300 0.044 0.000 0.889 637 V CB 0.840 32.658 31.823 -0.009 0.000 0.985 637 V HN 0.704 nan 8.190 nan 0.000 0.459 638 L N 5.355 126.658 121.223 0.132 0.000 2.325 638 L HA 0.778 5.092 4.340 -0.044 0.000 0.279 638 L C -0.037 176.949 176.870 0.193 0.000 1.054 638 L CA -0.598 54.345 54.840 0.173 0.000 0.804 638 L CB 1.431 43.587 42.059 0.162 0.000 1.200 638 L HN 0.555 nan 8.230 nan 0.000 0.436 639 R N 0.955 121.604 120.500 0.248 0.000 2.518 639 R HA 0.263 4.577 4.340 -0.044 0.000 0.287 639 R C -0.810 175.696 176.300 0.343 0.000 1.135 639 R CA -0.330 55.916 56.100 0.244 0.000 0.967 639 R CB 1.592 31.994 30.300 0.170 0.000 1.212 639 R HN 0.619 nan 8.270 nan 0.000 0.422 640 T N 4.385 119.100 114.554 0.269 0.000 2.918 640 T HA 0.590 4.914 4.350 -0.044 0.000 0.302 640 T C -0.563 174.360 174.700 0.371 0.000 1.045 640 T CA 0.152 62.405 62.100 0.255 0.000 1.114 640 T CB 0.051 68.989 68.868 0.116 0.000 0.965 640 T HN 0.432 nan 8.240 nan 0.000 0.540 641 F N 1.752 121.768 119.950 0.110 0.000 2.693 641 F HA 0.715 5.216 4.527 -0.043 0.000 0.309 641 F C -1.087 174.767 175.800 0.090 0.000 1.129 641 F CA -1.521 56.533 58.000 0.089 0.000 0.948 641 F CB 1.162 40.210 39.000 0.081 0.000 1.315 641 F HN 0.292 nan 8.300 nan 0.000 0.447 642 R N 1.759 122.318 120.500 0.098 0.000 2.532 642 R HA 0.719 5.033 4.340 -0.044 0.000 0.295 642 R C -1.255 175.098 176.300 0.089 0.000 0.968 642 R CA -0.715 55.385 56.100 -0.002 0.000 0.916 642 R CB 1.825 32.153 30.300 0.047 0.000 1.124 642 R HN 0.955 nan 8.270 nan 0.000 0.463 643 S N 0.877 116.585 115.700 0.013 0.000 2.572 643 S HA 0.320 4.763 4.470 -0.044 0.000 0.274 643 S C 0.101 174.724 174.600 0.038 0.000 1.150 643 S CA -0.926 57.322 58.200 0.079 0.000 0.944 643 S CB 1.194 64.476 63.200 0.135 0.000 1.071 643 S HN 0.676 nan 8.310 nan 0.000 0.479 644 L N 2.195 123.448 121.223 0.050 0.000 3.854 644 L HA -0.274 4.040 4.340 -0.044 0.000 0.460 644 L C 0.906 177.795 176.870 0.031 0.000 1.228 644 L CA 0.563 55.426 54.840 0.038 0.000 0.760 644 L CB -2.344 39.735 42.059 0.033 0.000 1.597 644 L HN 1.425 nan 8.230 nan 0.000 0.852 645 S N -2.205 113.515 115.700 0.032 0.000 3.462 645 S HA -0.222 4.222 4.470 -0.044 0.000 0.370 645 S C 0.463 175.080 174.600 0.028 0.000 1.028 645 S CA 1.270 59.488 58.200 0.030 0.000 1.119 645 S CB -2.128 61.090 63.200 0.031 0.000 0.906 645 S HN 0.963 nan 8.310 nan 0.000 0.471 646 T N -1.893 112.671 114.554 0.017 0.000 2.893 646 T HA 0.713 5.037 4.350 -0.044 0.000 0.291 646 T C -0.205 174.482 174.700 -0.020 0.000 1.028 646 T CA -0.197 61.917 62.100 0.023 0.000 0.995 646 T CB 1.893 70.784 68.868 0.039 0.000 1.051 646 T HN 0.941 nan 8.240 nan 0.000 0.470 647 T N 1.361 115.918 114.554 0.005 0.000 2.845 647 T HA 0.601 4.925 4.350 -0.044 0.000 0.288 647 T C -0.512 174.194 174.700 0.010 0.000 0.980 647 T CA -0.560 61.503 62.100 -0.062 0.000 1.071 647 T CB -0.121 68.693 68.868 -0.091 0.000 0.941 647 T HN 0.752 nan 8.240 nan 0.000 0.487 648 N N 1.538 120.090 118.700 -0.247 0.000 2.509 648 N HA 0.672 5.386 4.740 -0.044 0.000 0.280 648 N C -1.619 173.828 175.510 -0.104 0.000 1.306 648 N CA -0.895 52.057 53.050 -0.163 0.000 0.782 648 N CB 2.132 40.240 38.487 -0.631 0.000 1.493 648 N HN 0.509 nan 8.380 nan 0.000 0.498 649 V N 1.239 121.288 119.914 0.226 0.000 2.487 649 V HA 0.407 4.501 4.120 -0.044 0.000 0.298 649 V C -1.130 175.264 176.094 0.501 0.000 1.028 649 V CA -0.680 61.842 62.300 0.371 0.000 0.860 649 V CB 0.972 32.995 31.823 0.332 0.000 0.991 649 V HN 0.576 nan 8.190 nan 0.000 0.427 650 F N 3.814 124.056 119.950 0.487 0.000 2.396 650 F HA 0.681 5.182 4.527 -0.044 0.000 0.343 650 F C 0.519 176.406 175.800 0.144 0.000 1.104 650 F CA -0.241 57.920 58.000 0.270 0.000 1.161 650 F CB 1.214 40.233 39.000 0.031 0.000 1.146 650 F HN 0.531 nan 8.300 nan 0.000 0.522 651 A N 5.548 128.349 122.820 -0.031 0.000 2.431 651 A HA 0.474 4.768 4.320 -0.044 0.000 0.318 651 A C -1.008 176.588 177.584 0.021 0.000 1.330 651 A CA -0.529 51.532 52.037 0.040 0.000 0.804 651 A CB -0.353 18.647 19.000 -0.000 0.000 1.135 651 A HN 0.806 nan 8.150 nan 0.000 0.483 652 C N 3.000 122.387 119.300 0.146 0.000 2.566 652 C HA 0.671 5.105 4.460 -0.044 0.000 0.393 652 C C 1.167 176.138 174.990 -0.031 0.000 1.309 652 C CA 0.409 59.478 59.018 0.086 0.000 1.801 652 C CB -1.452 26.298 27.740 0.016 0.000 2.493 652 C HN 1.027 nan 8.230 nan 0.000 0.575 653 S N 1.547 117.222 115.700 -0.041 0.000 2.755 653 S HA 0.341 4.785 4.470 -0.044 0.000 0.286 653 S C 0.217 174.785 174.600 -0.054 0.000 1.207 653 S CA -0.182 57.981 58.200 -0.062 0.000 0.892 653 S CB 0.643 63.807 63.200 -0.059 0.000 1.240 653 S HN 0.610 nan 8.310 nan 0.000 0.525 654 D N 0.246 120.615 120.400 -0.052 0.000 2.312 654 D HA -0.062 4.552 4.640 -0.044 0.000 0.211 654 D C 0.813 177.086 176.300 -0.044 0.000 0.964 654 D CA 0.579 54.553 54.000 -0.043 0.000 0.877 654 D CB -0.340 40.438 40.800 -0.038 0.000 0.924 654 D HN 0.733 nan 8.370 nan 0.000 0.515 655 R N 0.344 120.811 120.500 -0.055 0.000 2.576 655 R HA 0.403 4.717 4.340 -0.044 0.000 0.283 655 R C -3.150 173.102 176.300 -0.080 0.000 1.493 655 R CA -1.568 54.495 56.100 -0.062 0.000 1.170 655 R CB 1.341 31.603 30.300 -0.064 0.000 1.189 655 R HN -0.170 nan 8.270 nan 0.000 0.542 656 P HA 0.172 nan 4.420 nan 0.000 0.275 656 P C -0.820 176.342 177.300 -0.231 0.000 1.227 656 P CA -0.004 63.008 63.100 -0.147 0.000 0.781 656 P CB 1.586 33.233 31.700 -0.089 0.000 0.906 657 T N 1.229 115.582 114.554 -0.336 0.000 2.909 657 T HA 0.350 4.674 4.350 -0.044 0.000 0.299 657 T C -0.607 173.876 174.700 -0.362 0.000 1.073 657 T CA -0.450 61.504 62.100 -0.243 0.000 0.999 657 T CB 1.385 70.214 68.868 -0.065 0.000 1.098 657 T HN 0.056 nan 8.240 nan 0.000 0.477 658 V N 3.422 123.218 119.914 -0.197 0.000 2.370 658 V HA 0.492 4.586 4.120 -0.044 0.000 0.283 658 V C -0.170 175.966 176.094 0.069 0.000 1.023 658 V CA -0.740 61.526 62.300 -0.058 0.000 0.857 658 V CB 1.031 32.851 31.823 -0.005 0.000 0.985 658 V HN 0.730 nan 8.190 nan 0.000 0.443 659 I N 6.822 127.427 120.570 0.058 0.000 2.353 659 I HA 0.573 4.716 4.170 -0.044 0.000 0.293 659 I C -0.202 175.770 176.117 -0.243 0.000 0.992 659 I CA -0.209 61.000 61.300 -0.151 0.000 1.268 659 I CB 0.721 38.641 38.000 -0.133 0.000 1.387 659 I HN 0.806 nan 8.210 nan 0.000 0.478 660 Y N 2.713 122.471 120.300 -0.903 0.000 2.905 660 Y HA 0.699 5.223 4.550 -0.044 0.000 0.322 660 Y C -0.980 174.213 175.900 -1.177 0.000 1.455 660 Y CA -1.177 56.253 58.100 -1.117 0.000 1.083 660 Y CB 1.446 39.612 38.460 -0.489 0.000 1.473 660 Y HN 0.341 nan 8.280 nan 0.000 0.449 661 S N 0.770 115.943 115.700 -0.878 0.000 2.526 661 S HA 0.717 5.161 4.470 -0.044 0.000 0.293 661 S C -1.491 172.863 174.600 -0.411 0.000 1.092 661 S CA -0.423 57.376 58.200 -0.669 0.000 0.980 661 S CB 1.539 64.531 63.200 -0.346 0.000 1.048 661 S HN 0.836 nan 8.310 nan 0.000 0.483 662 S N 2.858 118.310 115.700 -0.414 0.000 2.547 662 S HA 0.509 4.952 4.470 -0.044 0.000 0.281 662 S C -0.553 173.900 174.600 -0.244 0.000 1.118 662 S CA -0.420 57.623 58.200 -0.262 0.000 0.947 662 S CB 0.896 63.963 63.200 -0.221 0.000 1.053 662 S HN 1.060 nan 8.310 nan 0.000 0.482 663 N N 3.607 122.153 118.700 -0.257 0.000 2.688 663 N HA -0.212 4.502 4.740 -0.044 0.000 0.258 663 N C -0.419 174.989 175.510 -0.169 0.000 1.016 663 N CA 1.333 54.233 53.050 -0.251 0.000 0.747 663 N CB -1.932 36.468 38.487 -0.144 0.000 0.895 663 N HN 0.813 nan 8.380 nan 0.000 0.543 664 H N -2.092 116.954 119.070 -0.040 0.000 2.445 664 H HA -0.232 4.297 4.556 -0.044 0.000 0.322 664 H C 0.267 175.599 175.328 0.007 0.000 1.053 664 H CA 1.656 57.708 56.048 0.007 0.000 1.109 664 H CB -1.027 28.745 29.762 0.017 0.000 1.546 664 H HN 0.715 nan 8.280 nan 0.000 0.397 665 K N 0.611 120.994 120.400 -0.030 0.000 2.543 665 K HA 0.367 4.661 4.320 -0.044 0.000 0.255 665 K C -0.434 175.963 176.600 -0.338 0.000 0.934 665 K CA -0.769 55.464 56.287 -0.090 0.000 0.810 665 K CB 1.754 34.203 32.500 -0.085 0.000 1.315 665 K HN 0.064 nan 8.250 nan 0.000 0.433 666 L N 4.113 125.076 121.223 -0.434 0.000 2.410 666 L HA 0.278 4.592 4.340 -0.044 0.000 0.273 666 L C -0.372 175.934 176.870 -0.940 0.000 1.144 666 L CA -0.434 53.874 54.840 -0.886 0.000 0.863 666 L CB 0.999 42.368 42.059 -1.149 0.000 1.140 666 L HN 0.355 nan 8.230 nan 0.000 0.463 667 V N 4.000 123.180 119.914 -1.222 0.000 2.680 667 V HA 0.448 4.542 4.120 -0.044 0.000 0.309 667 V C -0.621 174.824 176.094 -1.082 0.000 1.052 667 V CA -0.533 61.157 62.300 -1.017 0.000 0.908 667 V CB 2.052 33.262 31.823 -1.021 0.000 1.001 667 V HN 0.368 nan 8.190 nan 0.000 0.431 668 F N 2.232 122.034 119.950 -0.248 0.000 2.382 668 F HA 0.581 5.082 4.527 -0.043 0.000 0.361 668 F C 0.454 176.252 175.800 -0.004 0.000 1.109 668 F CA -0.360 57.574 58.000 -0.111 0.000 1.031 668 F CB 1.887 40.805 39.000 -0.136 0.000 1.234 668 F HN 0.411 nan 8.300 nan 0.000 0.445 669 S N 3.150 118.990 115.700 0.234 0.000 2.475 669 S HA 0.454 4.898 4.470 -0.044 0.000 0.298 669 S C -0.259 174.363 174.600 0.038 0.000 1.119 669 S CA -0.702 57.586 58.200 0.146 0.000 1.085 669 S CB 0.572 63.866 63.200 0.156 0.000 1.028 669 S HN 0.716 nan 8.310 nan 0.000 0.489 670 N N 1.692 120.395 118.700 0.004 0.000 2.482 670 N HA 0.299 5.012 4.740 -0.044 0.000 0.260 670 N C -1.072 174.395 175.510 -0.071 0.000 1.236 670 N CA -0.443 52.581 53.050 -0.043 0.000 0.938 670 N CB 0.856 39.320 38.487 -0.037 0.000 1.128 670 N HN 0.345 nan 8.380 nan 0.000 0.448 671 V N 2.384 122.235 119.914 -0.104 0.000 2.398 671 V HA 0.135 4.229 4.120 -0.044 0.000 0.286 671 V C -0.136 175.924 176.094 -0.057 0.000 1.026 671 V CA -0.866 61.378 62.300 -0.093 0.000 0.868 671 V CB 1.334 33.073 31.823 -0.139 0.000 0.982 671 V HN 0.624 nan 8.190 nan 0.000 0.443 672 N N 6.324 124.995 118.700 -0.048 0.000 2.971 672 N HA 0.341 5.055 4.740 -0.044 0.000 0.294 672 N C -0.820 174.673 175.510 -0.028 0.000 1.210 672 N CA 0.293 53.320 53.050 -0.037 0.000 1.157 672 N CB 0.061 38.524 38.487 -0.040 0.000 1.450 672 N HN 0.514 nan 8.380 nan 0.000 0.527 673 L N 0.318 121.529 121.223 -0.020 0.000 2.466 673 L HA 0.272 4.586 4.340 -0.044 0.000 0.258 673 L C 1.249 178.112 176.870 -0.012 0.000 0.973 673 L CA -0.712 54.123 54.840 -0.009 0.000 0.826 673 L CB 2.582 44.647 42.059 0.009 0.000 1.372 673 L HN 0.017 nan 8.230 nan 0.000 0.409 674 K N 0.577 120.972 120.400 -0.009 0.000 2.032 674 K HA -0.093 4.200 4.320 -0.044 0.000 0.209 674 K C 0.152 176.743 176.600 -0.014 0.000 1.048 674 K CA 1.479 57.760 56.287 -0.011 0.000 0.927 674 K CB 0.195 32.691 32.500 -0.007 0.000 0.712 674 K HN 0.502 nan 8.250 nan 0.000 0.441 675 E N -0.360 119.834 120.200 -0.010 0.000 2.422 675 E HA 0.208 4.532 4.350 -0.044 0.000 0.289 675 E C -2.027 174.570 176.600 -0.006 0.000 0.985 675 E CA -0.437 55.955 56.400 -0.014 0.000 0.812 675 E CB 2.010 31.698 29.700 -0.019 0.000 1.226 675 E HN -0.189 nan 8.360 nan 0.000 0.419 676 V N 4.297 124.210 119.914 -0.002 0.000 2.588 676 V HA 0.324 4.418 4.120 -0.044 0.000 0.304 676 V C 0.056 176.108 176.094 -0.071 0.000 1.042 676 V CA -0.751 61.552 62.300 0.005 0.000 0.877 676 V CB 1.730 33.627 31.823 0.124 0.000 0.996 676 V HN 0.707 nan 8.190 nan 0.000 0.425 677 N N 2.182 120.797 118.700 -0.143 0.000 2.436 677 N HA 0.183 4.897 4.740 -0.044 0.000 0.178 677 N C -0.475 174.577 175.510 -0.765 0.000 1.026 677 N CA 1.031 53.841 53.050 -0.400 0.000 0.880 677 N CB 0.297 38.600 38.487 -0.307 0.000 1.061 677 N HN 0.686 nan 8.380 nan 0.000 0.434 678 Y N -1.054 119.193 120.300 -0.089 0.000 2.615 678 Y HA 0.583 5.107 4.550 -0.044 0.000 0.341 678 Y C -0.203 175.558 175.900 -0.232 0.000 1.089 678 Y CA -1.057 56.950 58.100 -0.156 0.000 1.049 678 Y CB 2.048 40.374 38.460 -0.223 0.000 1.296 678 Y HN -0.254 nan 8.280 nan 0.000 0.470 679 M N 2.766 122.288 119.600 -0.130 0.000 2.490 679 M HA 0.637 5.091 4.480 -0.044 0.000 0.286 679 M C -2.116 174.003 176.300 -0.302 0.000 1.185 679 M CA -0.544 54.544 55.300 -0.353 0.000 0.912 679 M CB 1.666 33.833 32.600 -0.722 0.000 1.744 679 M HN 0.973 nan 8.290 nan 0.000 0.494 680 C N 2.617 121.728 119.300 -0.316 0.000 3.082 680 C HA 0.920 5.354 4.460 -0.044 0.000 0.324 680 C C -2.908 171.961 174.990 -0.201 0.000 1.210 680 C CA -1.250 57.642 59.018 -0.211 0.000 1.366 680 C CB 2.053 29.693 27.740 -0.166 0.000 1.756 680 C HN 0.730 nan 8.230 nan 0.000 0.485 681 P HA 0.383 nan 4.420 nan 0.000 0.271 681 P C -1.055 176.221 177.300 -0.040 0.000 1.218 681 P CA 0.120 63.183 63.100 -0.061 0.000 0.780 681 P CB 0.960 32.700 31.700 0.066 0.000 0.901 682 L N 2.897 124.094 121.223 -0.044 0.000 2.401 682 L HA 0.455 4.769 4.340 -0.044 0.000 0.266 682 L C -0.040 176.837 176.870 0.012 0.000 0.991 682 L CA -0.509 54.316 54.840 -0.026 0.000 0.818 682 L CB 2.198 44.213 42.059 -0.072 0.000 1.321 682 L HN 0.303 nan 8.230 nan 0.000 0.413 683 N N 1.475 120.194 118.700 0.032 0.000 2.673 683 N HA 0.125 4.839 4.740 -0.044 0.000 0.265 683 N C -0.816 174.723 175.510 0.050 0.000 1.709 683 N CA -0.313 52.764 53.050 0.045 0.000 0.792 683 N CB 0.752 39.266 38.487 0.044 0.000 1.286 683 N HN 0.548 nan 8.380 nan 0.000 0.506 684 S N -0.549 115.194 115.700 0.073 0.000 2.632 684 S HA 0.207 4.651 4.470 -0.044 0.000 0.267 684 S C 0.812 175.445 174.600 0.056 0.000 1.276 684 S CA -0.273 57.972 58.200 0.075 0.000 0.998 684 S CB 1.051 64.324 63.200 0.123 0.000 0.953 684 S HN 0.311 nan 8.310 nan 0.000 0.547 685 D N 0.491 120.907 120.400 0.027 0.000 2.317 685 D HA 0.103 4.716 4.640 -0.044 0.000 0.211 685 D C 1.657 177.930 176.300 -0.045 0.000 0.966 685 D CA 0.850 54.848 54.000 -0.003 0.000 0.876 685 D CB -0.708 40.089 40.800 -0.006 0.000 0.927 685 D HN 0.658 nan 8.370 nan 0.000 0.519 686 G N -1.264 107.505 108.800 -0.052 0.000 2.623 686 G HA2 -0.043 3.891 3.960 -0.044 0.000 0.214 686 G HA3 -0.043 3.891 3.960 -0.044 0.000 0.214 686 G C -0.278 174.329 174.900 -0.488 0.000 1.138 686 G CA 0.012 44.980 45.100 -0.220 0.000 0.794 686 G HN 0.294 nan 8.290 nan 0.000 0.535 687 Y N 0.332 120.609 120.300 -0.039 0.000 2.520 687 Y HA 0.331 4.855 4.550 -0.044 0.000 0.339 687 Y C -2.568 173.290 175.900 -0.069 0.000 1.113 687 Y CA -2.378 55.677 58.100 -0.075 0.000 1.255 687 Y CB 1.787 40.207 38.460 -0.066 0.000 1.099 687 Y HN -0.054 nan 8.280 nan 0.000 0.628 688 P HA 0.105 nan 4.420 nan 0.000 0.276 688 P C -0.143 177.170 177.300 0.021 0.000 1.230 688 P CA 0.230 63.341 63.100 0.019 0.000 0.776 688 P CB 0.659 32.356 31.700 -0.005 0.000 0.888 689 D N -0.359 120.061 120.400 0.033 0.000 2.701 689 D HA -0.130 4.483 4.640 -0.044 0.000 0.235 689 D C -0.211 176.106 176.300 0.029 0.000 1.155 689 D CA 1.079 55.103 54.000 0.040 0.000 0.649 689 D CB -1.379 39.449 40.800 0.046 0.000 1.050 689 D HN 0.283 nan 8.370 nan 0.000 0.425 690 S N -0.798 114.911 115.700 0.015 0.000 2.745 690 S HA 0.758 5.202 4.470 -0.044 0.000 0.292 690 S C 0.248 174.803 174.600 -0.075 0.000 1.127 690 S CA -0.726 57.462 58.200 -0.020 0.000 1.007 690 S CB 1.630 64.828 63.200 -0.003 0.000 1.165 690 S HN 0.148 nan 8.310 nan 0.000 0.544 691 L N 0.357 121.502 121.223 -0.130 0.000 2.371 691 L HA 0.750 5.064 4.340 -0.044 0.000 0.262 691 L C -0.599 176.138 176.870 -0.222 0.000 1.006 691 L CA -0.423 54.285 54.840 -0.220 0.000 0.818 691 L CB 1.716 43.598 42.059 -0.296 0.000 1.354 691 L HN 0.747 nan 8.230 nan 0.000 0.415 692 A N 3.345 126.015 122.820 -0.251 0.000 2.311 692 A HA 0.862 5.155 4.320 -0.044 0.000 0.306 692 A C -1.193 176.242 177.584 -0.249 0.000 1.189 692 A CA -0.344 51.554 52.037 -0.231 0.000 0.791 692 A CB 0.393 19.269 19.000 -0.208 0.000 1.172 692 A HN 0.579 nan 8.150 nan 0.000 0.481 693 L N 1.674 122.772 121.223 -0.207 0.000 2.342 693 L HA 0.892 5.206 4.340 -0.044 0.000 0.271 693 L C 0.244 177.048 176.870 -0.110 0.000 1.008 693 L CA -0.635 54.093 54.840 -0.188 0.000 0.818 693 L CB 2.243 44.199 42.059 -0.173 0.000 1.296 693 L HN 0.748 nan 8.230 nan 0.000 0.427 694 A N 1.551 124.329 122.820 -0.070 0.000 2.398 694 A HA 0.745 5.039 4.320 -0.044 0.000 0.301 694 A C -1.123 176.465 177.584 0.006 0.000 1.041 694 A CA -0.684 51.342 52.037 -0.018 0.000 0.711 694 A CB 1.333 20.333 19.000 -0.000 0.000 1.240 694 A HN 0.804 nan 8.150 nan 0.000 0.420 695 N N 0.780 119.486 118.700 0.010 0.000 2.671 695 N HA 0.270 4.984 4.740 -0.044 0.000 0.303 695 N C 0.158 175.694 175.510 0.043 0.000 1.277 695 N CA -0.665 52.393 53.050 0.014 0.000 0.933 695 N CB 0.229 38.719 38.487 0.005 0.000 1.190 695 N HN 0.427 nan 8.380 nan 0.000 0.600 696 N N -1.397 117.330 118.700 0.044 0.000 2.535 696 N HA -0.054 4.659 4.740 -0.044 0.000 0.203 696 N C -0.116 175.435 175.510 0.069 0.000 1.301 696 N CA 0.471 53.562 53.050 0.068 0.000 0.859 696 N CB -0.512 38.013 38.487 0.062 0.000 1.055 696 N HN 0.666 nan 8.380 nan 0.000 0.457 697 S N -2.996 112.739 115.700 0.059 0.000 2.590 697 S HA 0.118 4.562 4.470 -0.044 0.000 0.281 697 S C 0.308 174.941 174.600 0.056 0.000 1.068 697 S CA -0.018 58.217 58.200 0.058 0.000 1.193 697 S CB 0.609 63.834 63.200 0.041 0.000 1.040 697 S HN 0.270 nan 8.310 nan 0.000 0.544 698 T N 2.009 116.589 114.554 0.044 0.000 2.923 698 T HA 0.580 4.904 4.350 -0.044 0.000 0.311 698 T C -1.816 172.895 174.700 0.017 0.000 1.183 698 T CA -0.663 61.457 62.100 0.034 0.000 1.020 698 T CB 1.696 70.578 68.868 0.023 0.000 1.165 698 T HN 0.343 nan 8.240 nan 0.000 0.482 699 L N 4.924 126.154 121.223 0.011 0.000 2.322 699 L HA 0.853 5.166 4.340 -0.044 0.000 0.279 699 L C -0.525 176.325 176.870 -0.034 0.000 1.036 699 L CA -0.162 54.665 54.840 -0.020 0.000 0.807 699 L CB 1.357 43.404 42.059 -0.021 0.000 1.226 699 L HN 1.088 nan 8.230 nan 0.000 0.433 700 T N 2.761 117.278 114.554 -0.062 0.000 2.912 700 T HA 0.674 4.998 4.350 -0.044 0.000 0.299 700 T C -0.437 174.193 174.700 -0.116 0.000 1.052 700 T CA -0.638 61.424 62.100 -0.064 0.000 0.996 700 T CB 1.893 70.737 68.868 -0.040 0.000 1.070 700 T HN 0.458 nan 8.240 nan 0.000 0.465 701 I N 1.279 121.768 120.570 -0.134 0.000 2.530 701 I HA 0.809 4.952 4.170 -0.044 0.000 0.297 701 I C 0.650 176.737 176.117 -0.051 0.000 1.011 701 I CA -0.603 60.569 61.300 -0.214 0.000 1.107 701 I CB 2.052 39.716 38.000 -0.560 0.000 1.285 701 I HN 1.121 nan 8.210 nan 0.000 0.436 702 G N 2.541 111.323 108.800 -0.030 0.000 2.430 702 G HA2 0.507 4.441 3.960 -0.044 0.000 0.300 702 G HA3 0.507 4.441 3.960 -0.044 0.000 0.300 702 G C -1.050 173.869 174.900 0.032 0.000 1.330 702 G CA -0.499 44.664 45.100 0.105 0.000 0.813 702 G HN 0.545 nan 8.290 nan 0.000 0.487 703 T N -1.588 113.025 114.554 0.099 0.000 2.912 703 T HA 0.769 5.093 4.350 -0.044 0.000 0.280 703 T C -0.075 174.646 174.700 0.035 0.000 0.989 703 T CA -0.633 61.514 62.100 0.077 0.000 0.995 703 T CB 1.953 70.914 68.868 0.156 0.000 1.077 703 T HN 0.735 nan 8.240 nan 0.000 0.531 704 I N 0.212 120.802 120.570 0.033 0.000 2.647 704 I HA 0.335 4.479 4.170 -0.044 0.000 0.295 704 I C -0.857 175.280 176.117 0.035 0.000 1.078 704 I CA -1.021 60.269 61.300 -0.017 0.000 1.048 704 I CB 2.144 40.147 38.000 0.004 0.000 1.239 704 I HN 0.663 nan 8.210 nan 0.000 0.421 705 D N 5.079 125.470 120.400 -0.016 0.000 2.369 705 D HA 0.079 4.693 4.640 -0.044 0.000 0.241 705 D C -0.134 176.217 176.300 0.085 0.000 1.271 705 D CA 0.047 54.084 54.000 0.061 0.000 0.942 705 D CB 0.525 41.318 40.800 -0.012 0.000 1.129 705 D HN 0.458 nan 8.370 nan 0.000 0.476 706 E N -0.242 120.029 120.200 0.119 0.000 2.467 706 E HA -0.014 4.309 4.350 -0.044 0.000 0.264 706 E C -0.246 176.354 176.600 0.000 0.000 1.020 706 E CA -0.074 56.365 56.400 0.065 0.000 0.945 706 E CB 0.470 30.209 29.700 0.066 0.000 0.942 706 E HN 0.160 nan 8.360 nan 0.000 0.449 707 I N 3.701 124.219 120.570 -0.088 0.000 2.329 707 I HA 0.056 4.200 4.170 -0.044 0.000 0.295 707 I C 0.174 176.061 176.117 -0.383 0.000 1.109 707 I CA 0.952 62.075 61.300 -0.294 0.000 1.297 707 I CB 0.124 37.866 38.000 -0.430 0.000 1.433 707 I HN 0.370 nan 8.210 nan 0.000 0.509 708 Q N 3.624 123.284 119.800 -0.234 0.000 2.575 708 Q HA 0.323 4.637 4.340 -0.044 0.000 0.290 708 Q C 0.419 176.444 176.000 0.042 0.000 0.963 708 Q CA -0.893 54.887 55.803 -0.039 0.000 0.783 708 Q CB 2.061 30.815 28.738 0.026 0.000 1.467 708 Q HN 0.229 nan 8.270 nan 0.000 0.402 709 K N 0.244 120.724 120.400 0.132 0.000 2.103 709 K HA 0.129 4.423 4.320 -0.044 0.000 0.204 709 K C 0.082 176.730 176.600 0.080 0.000 1.052 709 K CA 1.049 57.402 56.287 0.110 0.000 0.945 709 K CB 0.216 32.788 32.500 0.119 0.000 0.722 709 K HN 0.470 nan 8.250 nan 0.000 0.443 710 L N 1.037 122.305 121.223 0.075 0.000 2.333 710 L HA 0.221 4.535 4.340 -0.044 0.000 0.280 710 L C -0.498 176.418 176.870 0.078 0.000 1.004 710 L CA -0.918 53.964 54.840 0.069 0.000 0.820 710 L CB 1.623 43.708 42.059 0.044 0.000 1.247 710 L HN 0.054 nan 8.230 nan 0.000 0.416 711 H N 3.925 122.998 119.070 0.005 0.000 2.620 711 H HA 0.547 5.077 4.556 -0.043 0.000 0.313 711 H C -0.952 174.370 175.328 -0.010 0.000 1.075 711 H CA -0.008 56.041 56.048 0.002 0.000 1.397 711 H CB 0.793 30.561 29.762 0.011 0.000 1.446 711 H HN 0.410 nan 8.280 nan 0.000 0.493 712 I N 5.845 126.135 120.570 -0.466 0.000 2.410 712 I HA 0.293 4.437 4.170 -0.044 0.000 0.286 712 I C -0.276 175.607 176.117 -0.390 0.000 1.009 712 I CA -0.646 60.467 61.300 -0.311 0.000 1.111 712 I CB 1.442 39.335 38.000 -0.177 0.000 1.262 712 I HN 0.500 nan 8.210 nan 0.000 0.443 713 R N 4.397 124.730 120.500 -0.278 0.000 2.294 713 R HA 0.563 4.877 4.340 -0.044 0.000 0.319 713 R C -1.021 175.130 176.300 -0.248 0.000 0.984 713 R CA -0.256 55.703 56.100 -0.236 0.000 0.861 713 R CB 1.300 31.491 30.300 -0.181 0.000 1.104 713 R HN 0.550 nan 8.270 nan 0.000 0.451 714 T N 3.752 118.179 114.554 -0.212 0.000 2.771 714 T HA 0.273 4.597 4.350 -0.044 0.000 0.281 714 T C -0.566 174.008 174.700 -0.211 0.000 0.982 714 T CA -0.517 61.458 62.100 -0.207 0.000 0.978 714 T CB 1.570 70.341 68.868 -0.162 0.000 0.930 714 T HN 0.287 nan 8.240 nan 0.000 0.447 715 V N 6.709 126.475 119.914 -0.246 0.000 2.257 715 V HA 0.283 4.377 4.120 -0.044 0.000 0.269 715 V C -2.137 173.829 176.094 -0.213 0.000 1.040 715 V CA -2.129 60.048 62.300 -0.204 0.000 0.813 715 V CB 0.489 32.179 31.823 -0.221 0.000 1.065 715 V HN 0.693 nan 8.190 nan 0.000 0.457 716 P HA 0.128 nan 4.420 nan 0.000 0.265 716 P C 0.424 177.434 177.300 -0.484 0.000 1.193 716 P CA 0.300 63.114 63.100 -0.476 0.000 0.765 716 P CB 1.356 32.656 31.700 -0.668 0.000 0.823 717 L N 2.128 123.073 121.223 -0.464 0.000 2.575 717 L HA 0.133 4.447 4.340 -0.044 0.000 0.228 717 L C 0.521 177.319 176.870 -0.120 0.000 1.075 717 L CA 0.003 54.706 54.840 -0.228 0.000 0.867 717 L CB -0.462 41.514 42.059 -0.139 0.000 1.097 717 L HN 0.325 nan 8.230 nan 0.000 0.485 718 Y N 0.497 120.779 120.300 -0.031 0.000 4.538 718 Y HA -0.328 4.196 4.550 -0.044 0.000 0.225 718 Y C 0.526 176.418 175.900 -0.014 0.000 1.074 718 Y CA 0.775 58.864 58.100 -0.018 0.000 1.942 718 Y CB -2.330 36.120 38.460 -0.017 0.000 1.618 718 Y HN 0.511 nan 8.280 nan 0.000 0.642 719 E N -2.359 117.856 120.200 0.024 0.000 2.437 719 E HA 0.660 4.984 4.350 -0.044 0.000 0.280 719 E C -1.060 175.484 176.600 -0.093 0.000 1.044 719 E CA -1.126 55.269 56.400 -0.008 0.000 0.826 719 E CB 1.239 30.931 29.700 -0.012 0.000 1.358 719 E HN -0.106 nan 8.360 nan 0.000 0.459 720 S N 2.591 118.204 115.700 -0.144 0.000 2.455 720 S HA 0.263 4.706 4.470 -0.044 0.000 0.278 720 S C -2.116 172.377 174.600 -0.178 0.000 1.216 720 S CA -0.792 57.274 58.200 -0.223 0.000 1.055 720 S CB 0.163 63.172 63.200 -0.318 0.000 0.939 720 S HN 0.294 nan 8.310 nan 0.000 0.494 721 P HA 0.396 nan 4.420 nan 0.000 0.282 721 P C -0.134 177.112 177.300 -0.090 0.000 1.249 721 P CA -0.562 62.473 63.100 -0.108 0.000 0.806 721 P CB 1.437 33.078 31.700 -0.097 0.000 0.984 722 R N 0.529 120.999 120.500 -0.050 0.000 2.622 722 R HA 0.252 4.566 4.340 -0.044 0.000 0.180 722 R C 0.258 176.580 176.300 0.036 0.000 0.813 722 R CA 0.113 56.207 56.100 -0.009 0.000 1.049 722 R CB 0.222 30.518 30.300 -0.006 0.000 1.438 722 R HN 0.358 nan 8.270 nan 0.000 0.636 723 K N 0.949 121.376 120.400 0.045 0.000 2.443 723 K HA 0.506 4.799 4.320 -0.044 0.000 0.251 723 K C -1.350 175.299 176.600 0.081 0.000 0.972 723 K CA -0.634 55.700 56.287 0.078 0.000 0.833 723 K CB 2.883 35.445 32.500 0.103 0.000 1.317 723 K HN -0.020 nan 8.250 nan 0.000 0.441 724 I N 1.018 121.658 120.570 0.117 0.000 2.644 724 I HA 0.373 4.517 4.170 -0.044 0.000 0.291 724 I C -1.357 174.904 176.117 0.240 0.000 1.180 724 I CA -0.532 60.864 61.300 0.160 0.000 1.040 724 I CB 1.183 39.249 38.000 0.111 0.000 1.255 724 I HN 0.847 nan 8.210 nan 0.000 0.422 725 C N 4.527 124.020 119.300 0.322 0.000 2.797 725 C HA 0.632 5.066 4.460 -0.044 0.000 0.306 725 C C -0.977 174.295 174.990 0.470 0.000 1.207 725 C CA -0.882 58.354 59.018 0.364 0.000 1.507 725 C CB 1.092 29.011 27.740 0.298 0.000 2.028 725 C HN 0.781 nan 8.230 nan 0.000 0.475 726 Y N 1.502 121.925 120.300 0.205 0.000 2.334 726 Y HA 0.576 5.100 4.550 -0.044 0.000 0.328 726 Y C 0.093 175.929 175.900 -0.108 0.000 1.130 726 Y CA -0.242 57.809 58.100 -0.081 0.000 1.163 726 Y CB 1.203 39.567 38.460 -0.160 0.000 1.207 726 Y HN 0.914 nan 8.280 nan 0.000 0.471 727 Q N 5.320 124.544 119.800 -0.961 0.000 2.558 727 Q HA 0.203 4.517 4.340 -0.044 0.000 0.252 727 Q C 0.609 175.932 176.000 -1.127 0.000 1.015 727 Q CA -0.403 54.880 55.803 -0.868 0.000 0.720 727 Q CB 0.808 29.198 28.738 -0.580 0.000 1.215 727 Q HN 0.889 nan 8.270 nan 0.000 0.500 728 E N 0.967 120.480 120.200 -1.144 0.000 2.095 728 E HA -0.253 4.071 4.350 -0.044 0.000 0.212 728 E C 1.516 177.919 176.600 -0.328 0.000 1.044 728 E CA 2.413 58.450 56.400 -0.605 0.000 0.857 728 E CB 0.071 29.621 29.700 -0.250 0.000 0.764 728 E HN 0.639 nan 8.360 nan 0.000 0.462 729 V N -2.289 117.455 119.914 -0.285 0.000 3.461 729 V HA 0.057 4.151 4.120 -0.044 0.000 0.267 729 V C 1.570 177.584 176.094 -0.134 0.000 1.186 729 V CA 1.340 63.536 62.300 -0.174 0.000 1.154 729 V CB 0.494 32.218 31.823 -0.165 0.000 0.802 729 V HN -0.020 nan 8.190 nan 0.000 0.474 730 S N -0.524 115.081 115.700 -0.159 0.000 2.539 730 S HA 0.183 4.626 4.470 -0.044 0.000 0.221 730 S C 0.482 175.068 174.600 -0.023 0.000 0.987 730 S CA -0.158 58.025 58.200 -0.028 0.000 0.929 730 S CB -0.090 63.152 63.200 0.070 0.000 0.832 730 S HN 0.668 nan 8.310 nan 0.000 0.492 731 Q N 0.151 119.885 119.800 -0.111 0.000 2.423 731 Q HA -0.210 4.103 4.340 -0.044 0.000 0.332 731 Q C -0.553 175.377 176.000 -0.118 0.000 1.355 731 Q CA 0.527 56.275 55.803 -0.092 0.000 0.947 731 Q CB -2.365 26.364 28.738 -0.015 0.000 1.189 731 Q HN 0.560 nan 8.270 nan 0.000 0.418 732 C N -0.796 118.402 119.300 -0.170 0.000 3.173 732 C HA 0.721 5.155 4.460 -0.044 0.000 0.310 732 C C -0.178 174.715 174.990 -0.161 0.000 1.306 732 C CA -0.858 58.086 59.018 -0.124 0.000 1.426 732 C CB 1.746 29.451 27.740 -0.059 0.000 1.800 732 C HN 0.423 nan 8.230 nan 0.000 0.470 733 F N 0.921 120.905 119.950 0.057 0.000 2.425 733 F HA 0.612 5.113 4.527 -0.043 0.000 0.331 733 F C 0.934 176.715 175.800 -0.031 0.000 1.085 733 F CA -0.022 58.054 58.000 0.128 0.000 1.028 733 F CB 1.264 40.328 39.000 0.107 0.000 1.177 733 F HN 0.693 nan 8.300 nan 0.000 0.487 734 G N 1.287 110.187 108.800 0.166 0.000 2.343 734 G HA2 0.577 4.511 3.960 -0.044 0.000 0.319 734 G HA3 0.577 4.511 3.960 -0.044 0.000 0.319 734 G C -1.731 173.154 174.900 -0.025 0.000 1.126 734 G CA -0.533 44.399 45.100 -0.281 0.000 0.889 734 G HN 0.479 nan 8.290 nan 0.000 0.457 735 V N 3.635 123.500 119.914 -0.082 0.000 2.577 735 V HA 0.346 4.439 4.120 -0.044 0.000 0.303 735 V C 0.004 176.083 176.094 -0.024 0.000 1.042 735 V CA -0.694 61.596 62.300 -0.016 0.000 0.872 735 V CB 1.724 33.540 31.823 -0.011 0.000 0.998 735 V HN 0.639 nan 8.190 nan 0.000 0.423 736 L N 4.836 126.068 121.223 0.014 0.000 2.313 736 L HA 0.582 4.896 4.340 -0.044 0.000 0.282 736 L C 0.537 177.395 176.870 -0.020 0.000 1.092 736 L CA 0.265 55.125 54.840 0.033 0.000 0.831 736 L CB 1.310 43.403 42.059 0.057 0.000 1.159 736 L HN 0.850 nan 8.230 nan 0.000 0.442 737 S N 1.718 117.392 115.700 -0.044 0.000 2.634 737 S HA 0.843 5.287 4.470 -0.044 0.000 0.296 737 S C -0.513 173.938 174.600 -0.248 0.000 1.104 737 S CA -0.682 57.444 58.200 -0.122 0.000 0.920 737 S CB 2.238 65.382 63.200 -0.094 0.000 1.111 737 S HN 0.579 nan 8.310 nan 0.000 0.493 738 S N 0.406 115.906 115.700 -0.334 0.000 2.547 738 S HA 0.773 5.217 4.470 -0.044 0.000 0.281 738 S C -0.736 173.721 174.600 -0.239 0.000 1.118 738 S CA -1.119 56.789 58.200 -0.487 0.000 0.947 738 S CB 1.393 64.020 63.200 -0.956 0.000 1.053 738 S HN 1.154 nan 8.310 nan 0.000 0.482 739 R N 1.249 121.654 120.500 -0.158 0.000 2.778 739 R HA 0.800 5.113 4.340 -0.044 0.000 0.277 739 R C -1.352 174.939 176.300 -0.014 0.000 0.977 739 R CA -0.968 55.103 56.100 -0.049 0.000 0.950 739 R CB 0.925 31.211 30.300 -0.024 0.000 1.165 739 R HN 0.597 nan 8.270 nan 0.000 0.474 740 I N 1.341 121.934 120.570 0.038 0.000 2.392 740 I HA 0.271 4.415 4.170 -0.044 0.000 0.295 740 I C -0.166 175.968 176.117 0.029 0.000 0.985 740 I CA -0.310 61.018 61.300 0.047 0.000 1.221 740 I CB 1.757 39.800 38.000 0.072 0.000 1.366 740 I HN 0.614 nan 8.210 nan 0.000 0.467 741 E N 4.980 125.196 120.200 0.027 0.000 2.317 741 E HA 0.552 4.876 4.350 -0.044 0.000 0.270 741 E C -1.300 175.312 176.600 0.020 0.000 0.885 741 E CA -0.905 55.506 56.400 0.019 0.000 0.760 741 E CB 2.933 32.644 29.700 0.018 0.000 1.227 741 E HN 0.375 nan 8.360 nan 0.000 0.434 742 V N -0.261 119.662 119.914 0.015 0.000 2.713 742 V HA 0.410 4.504 4.120 -0.044 0.000 0.307 742 V C -0.133 175.970 176.094 0.015 0.000 1.052 742 V CA -1.086 61.223 62.300 0.014 0.000 0.967 742 V CB 1.557 33.385 31.823 0.008 0.000 1.019 742 V HN 0.584 nan 8.190 nan 0.000 0.459 743 Q N 2.124 121.934 119.800 0.016 0.000 2.255 743 Q HA 0.199 4.513 4.340 -0.044 0.000 0.280 743 Q C -0.588 175.420 176.000 0.013 0.000 1.068 743 Q CA 0.726 56.539 55.803 0.017 0.000 0.911 743 Q CB 0.296 29.046 28.738 0.018 0.000 1.157 743 Q HN 0.932 nan 8.270 nan 0.000 0.380 744 D N 1.639 122.047 120.400 0.013 0.000 2.233 744 D HA 0.126 4.740 4.640 -0.044 0.000 0.240 744 D C 0.642 176.948 176.300 0.010 0.000 1.074 744 D CA -0.030 53.976 54.000 0.010 0.000 0.838 744 D CB 1.261 42.067 40.800 0.010 0.000 1.124 744 D HN 0.674 nan 8.370 nan 0.000 0.475 745 T N 0.428 114.987 114.554 0.008 0.000 2.653 745 T HA -0.213 4.111 4.350 -0.044 0.000 0.268 745 T C 1.265 175.970 174.700 0.008 0.000 1.035 745 T CA 1.392 63.496 62.100 0.008 0.000 1.154 745 T CB -0.590 68.281 68.868 0.006 0.000 0.862 745 T HN 0.376 nan 8.240 nan 0.000 0.441 746 S N 1.445 117.150 115.700 0.008 0.000 4.085 746 S HA 0.571 5.015 4.470 -0.044 0.000 0.189 746 S C 1.232 175.838 174.600 0.010 0.000 1.392 746 S CA -0.275 57.929 58.200 0.008 0.000 0.972 746 S CB -0.922 62.282 63.200 0.006 0.000 1.482 746 S HN 1.234 nan 8.310 nan 0.000 0.446 747 G N 1.889 110.696 108.800 0.012 0.000 2.947 747 G HA2 -0.122 3.811 3.960 -0.044 0.000 0.251 747 G HA3 -0.122 3.811 3.960 -0.044 0.000 0.251 747 G C 0.549 175.459 174.900 0.017 0.000 1.481 747 G CA -0.014 45.095 45.100 0.015 0.000 1.006 747 G HN 1.140 nan 8.290 nan 0.000 0.561 748 G N -0.221 108.590 108.800 0.018 0.000 3.142 748 G HA2 0.608 4.541 3.960 -0.044 0.000 0.178 748 G HA3 0.608 4.541 3.960 -0.044 0.000 0.178 748 G C 0.657 175.569 174.900 0.019 0.000 1.941 748 G CA 2.235 47.347 45.100 0.021 0.000 0.902 748 G HN 1.991 nan 8.290 nan 0.000 0.517 749 T N -3.163 111.402 114.554 0.018 0.000 2.906 749 T HA 0.670 4.994 4.350 -0.044 0.000 0.295 749 T C -1.028 173.679 174.700 0.011 0.000 1.075 749 T CA -0.605 61.505 62.100 0.016 0.000 1.005 749 T CB 2.056 70.937 68.868 0.021 0.000 1.136 749 T HN 0.402 nan 8.240 nan 0.000 0.498 750 T N 1.047 115.606 114.554 0.009 0.000 2.912 750 T HA 0.748 5.072 4.350 -0.044 0.000 0.299 750 T C 0.092 174.794 174.700 0.003 0.000 1.052 750 T CA -0.668 61.434 62.100 0.004 0.000 0.996 750 T CB 1.540 70.409 68.868 0.002 0.000 1.070 750 T HN 1.103 nan 8.240 nan 0.000 0.465 751 A N 1.670 124.490 122.820 -0.001 0.000 2.406 751 A HA 0.551 4.844 4.320 -0.044 0.000 0.243 751 A C 1.092 178.675 177.584 -0.002 0.000 1.082 751 A CA -0.290 51.747 52.037 -0.000 0.000 0.786 751 A CB -0.058 18.939 19.000 -0.005 0.000 1.029 751 A HN 0.940 nan 8.150 nan 0.000 0.495 752 L N -0.211 121.013 121.223 0.001 0.000 2.446 752 L HA 0.172 4.486 4.340 -0.044 0.000 0.219 752 L C 1.043 177.905 176.870 -0.012 0.000 1.116 752 L CA 0.616 55.455 54.840 -0.003 0.000 0.844 752 L CB -0.387 41.674 42.059 0.003 0.000 0.970 752 L HN 0.894 nan 8.230 nan 0.000 0.457 753 R N -2.109 118.382 120.500 -0.014 0.000 2.728 753 R HA 0.469 4.783 4.340 -0.044 0.000 0.274 753 R C -3.077 173.199 176.300 -0.039 0.000 1.032 753 R CA -1.579 54.499 56.100 -0.037 0.000 0.866 753 R CB -0.168 30.109 30.300 -0.039 0.000 1.263 753 R HN -0.348 nan 8.270 nan 0.000 0.475 754 P HA 0.219 nan 4.420 nan 0.000 0.275 754 P C -0.948 176.328 177.300 -0.041 0.000 1.227 754 P CA -0.216 62.845 63.100 -0.064 0.000 0.781 754 P CB 1.250 32.892 31.700 -0.097 0.000 0.906 755 S N 0.378 116.091 115.700 0.021 0.000 2.705 755 S HA 0.665 5.109 4.470 -0.044 0.000 0.280 755 S C 1.072 175.720 174.600 0.080 0.000 1.174 755 S CA -0.224 58.042 58.200 0.110 0.000 0.823 755 S CB 0.993 64.257 63.200 0.106 0.000 1.162 755 S HN 0.289 nan 8.310 nan 0.000 0.487 756 A N 1.568 124.443 122.820 0.091 0.000 1.927 756 A HA -0.127 4.167 4.320 -0.044 0.000 0.220 756 A C 2.313 179.897 177.584 -0.001 0.000 1.185 756 A CA 2.852 54.915 52.037 0.043 0.000 0.639 756 A CB -1.742 17.268 19.000 0.017 0.000 0.820 756 A HN 1.571 nan 8.150 nan 0.000 0.451 757 S N -0.935 114.754 115.700 -0.018 0.000 2.436 757 S HA -0.105 4.339 4.470 -0.044 0.000 0.228 757 S C 1.751 176.318 174.600 -0.056 0.000 1.014 757 S CA 1.643 59.812 58.200 -0.052 0.000 0.950 757 S CB -1.036 62.129 63.200 -0.058 0.000 0.784 757 S HN 0.852 nan 8.310 nan 0.000 0.504 758 T N -1.415 113.120 114.554 -0.032 0.000 3.081 758 T HA 0.238 4.561 4.350 -0.044 0.000 0.250 758 T C 1.144 175.827 174.700 -0.028 0.000 1.100 758 T CA -0.008 62.072 62.100 -0.034 0.000 1.038 758 T CB -0.226 68.627 68.868 -0.025 0.000 0.962 758 T HN 0.488 nan 8.240 nan 0.000 0.516 759 Q N 0.617 120.406 119.800 -0.018 0.000 2.141 759 Q HA 0.566 4.880 4.340 -0.044 0.000 0.248 759 Q C 0.053 176.050 176.000 -0.005 0.000 0.834 759 Q CA -0.542 55.257 55.803 -0.008 0.000 1.096 759 Q CB 1.158 29.901 28.738 0.008 0.000 1.189 759 Q HN 0.600 nan 8.270 nan 0.000 0.471 760 A N 0.390 123.195 122.820 -0.026 0.000 2.340 760 A HA 0.276 4.570 4.320 -0.044 0.000 0.268 760 A C 1.014 178.594 177.584 -0.008 0.000 1.100 760 A CA -0.349 51.674 52.037 -0.023 0.000 0.803 760 A CB 0.458 19.415 19.000 -0.072 0.000 1.043 760 A HN 0.448 nan 8.150 nan 0.000 0.488 761 L N 1.192 122.431 121.223 0.027 0.000 1.956 761 L HA -0.177 4.136 4.340 -0.044 0.000 0.216 761 L C 1.576 178.474 176.870 0.047 0.000 1.073 761 L CA 2.047 56.914 54.840 0.046 0.000 0.762 761 L CB -0.447 41.657 42.059 0.075 0.000 0.889 761 L HN 0.906 nan 8.230 nan 0.000 0.433 762 S N -1.569 114.181 115.700 0.082 0.000 2.664 762 S HA 0.686 5.130 4.470 -0.044 0.000 0.304 762 S C -0.457 174.068 174.600 -0.126 0.000 1.099 762 S CA -0.332 57.931 58.200 0.105 0.000 1.003 762 S CB 2.124 65.505 63.200 0.302 0.000 1.092 762 S HN 0.281 nan 8.310 nan 0.000 0.525 763 S N -0.288 115.300 115.700 -0.187 0.000 2.537 763 S HA 0.774 5.218 4.470 -0.044 0.000 0.271 763 S C -0.926 173.596 174.600 -0.130 0.000 1.148 763 S CA -0.635 57.303 58.200 -0.436 0.000 0.868 763 S CB 1.084 64.147 63.200 -0.229 0.000 1.115 763 S HN 1.628 nan 8.310 nan 0.000 0.461 764 S N 0.456 116.107 115.700 -0.080 0.000 2.570 764 S HA 0.885 5.329 4.470 -0.044 0.000 0.286 764 S C -0.341 174.287 174.600 0.047 0.000 1.099 764 S CA -0.437 57.863 58.200 0.167 0.000 0.913 764 S CB 1.100 64.553 63.200 0.421 0.000 1.085 764 S HN 2.102 nan 8.310 nan 0.000 0.480 765 V N -0.752 119.181 119.914 0.032 0.000 2.815 765 V HA 0.766 4.860 4.120 -0.044 0.000 0.314 765 V C -0.041 176.080 176.094 0.045 0.000 1.064 765 V CA -0.694 61.539 62.300 -0.111 0.000 0.952 765 V CB 1.522 33.308 31.823 -0.062 0.000 1.020 765 V HN 0.920 nan 8.190 nan 0.000 0.439 766 S N 2.647 118.327 115.700 -0.033 0.000 2.498 766 S HA 0.205 4.649 4.470 -0.044 0.000 0.281 766 S C 1.009 175.694 174.600 0.142 0.000 1.265 766 S CA 0.377 58.681 58.200 0.174 0.000 1.071 766 S CB 0.526 63.843 63.200 0.195 0.000 0.894 766 S HN 1.342 nan 8.310 nan 0.000 0.491 767 S N 2.280 118.072 115.700 0.153 0.000 2.537 767 S HA 0.216 4.660 4.470 -0.044 0.000 0.246 767 S C 0.429 175.093 174.600 0.106 0.000 1.036 767 S CA -0.662 57.605 58.200 0.111 0.000 1.041 767 S CB 0.241 63.497 63.200 0.094 0.000 0.799 767 S HN 0.476 nan 8.310 nan 0.000 0.456 768 S N 1.543 117.324 115.700 0.135 0.000 2.579 768 S HA 0.296 4.739 4.470 -0.044 0.000 0.275 768 S C 0.822 175.484 174.600 0.103 0.000 1.345 768 S CA -0.286 57.987 58.200 0.122 0.000 1.031 768 S CB 0.477 63.786 63.200 0.182 0.000 0.892 768 S HN 0.620 nan 8.310 nan 0.000 0.529 769 K N 3.124 123.555 120.400 0.051 0.000 2.402 769 K HA 0.322 4.616 4.320 -0.044 0.000 0.203 769 K C 1.034 177.612 176.600 -0.037 0.000 1.077 769 K CA -0.021 56.283 56.287 0.028 0.000 1.051 769 K CB -0.457 32.050 32.500 0.012 0.000 0.907 769 K HN 0.361 nan 8.250 nan 0.000 0.554 770 L N 0.438 121.575 121.223 -0.142 0.000 2.351 770 L HA 0.082 4.396 4.340 -0.044 0.000 0.220 770 L C -0.035 176.435 176.870 -0.667 0.000 1.127 770 L CA 1.504 56.071 54.840 -0.454 0.000 0.786 770 L CB -0.658 40.996 42.059 -0.675 0.000 0.914 770 L HN 0.124 nan 8.230 nan 0.000 0.443 784 E N 1.192 121.401 120.200 0.015 0.000 2.392 784 E HA 0.374 4.698 4.350 -0.044 0.000 0.259 784 E C 0.280 176.893 176.600 0.022 0.000 1.108 784 E CA -0.155 56.256 56.400 0.018 0.000 0.916 784 E CB 0.768 30.482 29.700 0.023 0.000 0.989 784 E HN 0.633 nan 8.360 nan 0.000 0.432 785 E N 0.072 120.286 120.200 0.023 0.000 2.314 785 E HA 0.474 4.798 4.350 -0.044 0.000 0.262 785 E C -0.836 175.790 176.600 0.044 0.000 1.093 785 E CA -0.773 55.644 56.400 0.028 0.000 0.908 785 E CB 1.174 30.885 29.700 0.018 0.000 1.091 785 E HN 0.046 nan 8.360 nan 0.000 0.425 786 V N 1.231 121.174 119.914 0.049 0.000 2.668 786 V HA 0.149 4.243 4.120 -0.044 0.000 0.304 786 V C -0.648 175.489 176.094 0.070 0.000 1.071 786 V CA -0.825 61.513 62.300 0.062 0.000 0.894 786 V CB 1.795 33.650 31.823 0.053 0.000 1.008 786 V HN 0.677 nan 8.190 nan 0.000 0.425 787 E N 2.572 122.833 120.200 0.101 0.000 2.331 787 E HA 0.524 4.848 4.350 -0.044 0.000 0.272 787 E C -1.159 175.516 176.600 0.124 0.000 1.036 787 E CA -0.294 56.166 56.400 0.101 0.000 0.864 787 E CB 2.012 31.815 29.700 0.171 0.000 1.035 787 E HN 0.417 nan 8.360 nan 0.000 0.408 788 V N 4.210 124.160 119.914 0.060 0.000 2.482 788 V HA 0.177 4.271 4.120 -0.044 0.000 0.295 788 V C -0.501 175.611 176.094 0.031 0.000 1.026 788 V CA -0.745 61.607 62.300 0.086 0.000 0.856 788 V CB 1.324 33.167 31.823 0.034 0.000 1.001 788 V HN 0.659 nan 8.190 nan 0.000 0.424 789 H N 4.203 123.264 119.070 -0.014 0.000 2.458 789 H HA 0.537 5.067 4.556 -0.044 0.000 0.330 789 H C -0.754 174.701 175.328 0.212 0.000 1.111 789 H CA -0.564 55.494 56.048 0.016 0.000 1.245 789 H CB 2.004 31.708 29.762 -0.097 0.000 1.456 789 H HN 0.605 nan 8.280 nan 0.000 0.488 790 N N 1.786 120.631 118.700 0.241 0.000 2.321 790 N HA 0.191 4.904 4.740 -0.044 0.000 0.290 790 N C -1.269 174.390 175.510 0.248 0.000 1.212 790 N CA -0.824 52.326 53.050 0.166 0.000 0.767 790 N CB 3.012 41.484 38.487 -0.024 0.000 1.494 790 N HN 0.242 nan 8.380 nan 0.000 0.479 791 L N 1.564 122.839 121.223 0.086 0.000 2.296 791 L HA 0.540 4.854 4.340 -0.044 0.000 0.286 791 L C -1.330 175.460 176.870 -0.133 0.000 1.023 791 L CA -0.336 54.496 54.840 -0.014 0.000 0.812 791 L CB 0.666 42.630 42.059 -0.158 0.000 1.223 791 L HN 0.386 nan 8.230 nan 0.000 0.421 792 L N 6.125 127.260 121.223 -0.147 0.000 2.313 792 L HA 0.511 4.824 4.340 -0.044 0.000 0.283 792 L C -0.692 176.036 176.870 -0.237 0.000 1.013 792 L CA -0.774 53.977 54.840 -0.148 0.000 0.816 792 L CB 1.790 43.797 42.059 -0.087 0.000 1.236 792 L HN 0.437 nan 8.230 nan 0.000 0.419 793 I N 4.535 124.954 120.570 -0.252 0.000 2.304 793 I HA 0.332 4.476 4.170 -0.044 0.000 0.291 793 I C -0.101 175.912 176.117 -0.173 0.000 1.018 793 I CA -0.294 60.787 61.300 -0.366 0.000 1.260 793 I CB 1.229 38.823 38.000 -0.676 0.000 1.390 793 I HN 0.416 nan 8.210 nan 0.000 0.475 794 I N 5.242 125.760 120.570 -0.087 0.000 2.389 794 I HA 0.173 4.317 4.170 -0.044 0.000 0.288 794 I C 0.237 176.338 176.117 -0.027 0.000 0.999 794 I CA -0.464 60.836 61.300 -0.000 0.000 1.129 794 I CB 1.504 39.557 38.000 0.088 0.000 1.288 794 I HN 0.457 nan 8.210 nan 0.000 0.444 795 D N 4.070 124.430 120.400 -0.067 0.000 2.458 795 D HA -0.021 4.593 4.640 -0.044 0.000 0.243 795 D C 1.189 177.276 176.300 -0.356 0.000 1.146 795 D CA 0.186 54.116 54.000 -0.116 0.000 0.877 795 D CB 0.952 41.737 40.800 -0.025 0.000 1.176 795 D HN 0.615 nan 8.370 nan 0.000 0.461 796 Q N 2.777 122.353 119.800 -0.373 0.000 2.436 796 Q HA -0.158 4.156 4.340 -0.044 0.000 0.209 796 Q C 0.536 176.168 176.000 -0.612 0.000 0.965 796 Q CA 1.106 56.589 55.803 -0.533 0.000 0.910 796 Q CB 0.077 28.573 28.738 -0.404 0.000 0.980 796 Q HN 0.586 nan 8.270 nan 0.000 0.491 797 H N 0.906 119.875 119.070 -0.169 0.000 2.332 797 H HA 0.042 4.572 4.556 -0.044 0.000 0.316 797 H C 2.361 177.747 175.328 0.096 0.000 1.069 797 H CA 1.953 58.004 56.048 0.006 0.000 1.484 797 H CB -0.566 29.214 29.762 0.030 0.000 1.496 797 H HN 0.495 nan 8.280 nan 0.000 0.623 798 T N -1.043 113.630 114.554 0.198 0.000 2.915 798 T HA -0.124 4.200 4.350 -0.044 0.000 0.269 798 T C 0.794 175.666 174.700 0.287 0.000 1.071 798 T CA 0.723 62.944 62.100 0.201 0.000 1.132 798 T CB -0.623 68.327 68.868 0.136 0.000 0.878 798 T HN 0.308 nan 8.240 nan 0.000 0.479 799 F N 0.790 120.799 119.950 0.099 0.000 3.069 799 F HA -0.141 4.360 4.527 -0.043 0.000 0.285 799 F C 0.565 176.393 175.800 0.047 0.000 0.827 799 F CA 0.287 58.326 58.000 0.065 0.000 1.108 799 F CB -2.204 36.812 39.000 0.026 0.000 1.252 799 F HN 0.279 nan 8.300 nan 0.000 0.483 800 E N -0.373 119.915 120.200 0.146 0.000 2.374 800 E HA 0.473 4.796 4.350 -0.044 0.000 0.260 800 E C -0.324 176.321 176.600 0.075 0.000 1.101 800 E CA -0.279 56.184 56.400 0.106 0.000 0.907 800 E CB 0.837 30.589 29.700 0.088 0.000 1.014 800 E HN 0.023 nan 8.360 nan 0.000 0.427 801 V N 5.408 125.359 119.914 0.061 0.000 2.320 801 V HA 0.075 4.168 4.120 -0.044 0.000 0.265 801 V C 0.980 177.099 176.094 0.042 0.000 1.048 801 V CA -0.045 62.276 62.300 0.035 0.000 0.865 801 V CB 0.391 32.225 31.823 0.019 0.000 1.043 801 V HN 0.664 nan 8.190 nan 0.000 0.474 802 L N 2.846 124.102 121.223 0.056 0.000 2.109 802 L HA 0.146 4.460 4.340 -0.044 0.000 0.207 802 L C 0.862 177.838 176.870 0.177 0.000 1.086 802 L CA 1.114 56.025 54.840 0.119 0.000 0.760 802 L CB -0.171 41.989 42.059 0.168 0.000 0.910 802 L HN 0.710 nan 8.230 nan 0.000 0.437 803 H N -1.016 118.055 119.070 0.002 0.000 3.029 803 H HA 0.626 5.156 4.556 -0.043 0.000 0.358 803 H C -1.462 173.827 175.328 -0.065 0.000 1.129 803 H CA -0.509 55.541 56.048 0.003 0.000 1.230 803 H CB 1.559 31.369 29.762 0.081 0.000 1.827 803 H HN -0.027 nan 8.280 nan 0.000 0.530 804 A N 3.722 126.263 122.820 -0.466 0.000 2.319 804 A HA 0.409 4.703 4.320 -0.044 0.000 0.310 804 A C -1.499 175.859 177.584 -0.378 0.000 1.152 804 A CA -0.592 51.260 52.037 -0.308 0.000 0.783 804 A CB 0.302 19.174 19.000 -0.212 0.000 1.184 804 A HN 0.815 nan 8.150 nan 0.000 0.474 805 H N 1.755 120.631 119.070 -0.324 0.000 2.556 805 H HA 0.461 4.991 4.556 -0.044 0.000 0.310 805 H C -0.054 175.016 175.328 -0.431 0.000 1.057 805 H CA 0.046 55.881 56.048 -0.355 0.000 1.264 805 H CB 0.820 30.321 29.762 -0.435 0.000 1.404 805 H HN 0.715 nan 8.280 nan 0.000 0.462 806 Q N 4.856 124.166 119.800 -0.817 0.000 2.267 806 Q HA 0.243 4.556 4.340 -0.044 0.000 0.255 806 Q C -0.815 174.754 176.000 -0.718 0.000 0.923 806 Q CA -0.579 54.889 55.803 -0.558 0.000 0.925 806 Q CB 0.630 29.200 28.738 -0.279 0.000 1.195 806 Q HN 0.563 nan 8.270 nan 0.000 0.417 807 F N 1.756 121.590 119.950 -0.193 0.000 2.348 807 F HA 0.279 4.779 4.527 -0.044 0.000 0.308 807 F C 0.597 176.383 175.800 -0.023 0.000 1.175 807 F CA -0.697 57.270 58.000 -0.054 0.000 1.080 807 F CB 0.461 39.486 39.000 0.042 0.000 1.341 807 F HN 0.391 nan 8.300 nan 0.000 0.518 808 L N 0.679 122.053 121.223 0.252 0.000 2.479 808 L HA 0.037 4.351 4.340 -0.044 0.000 0.270 808 L C 0.317 177.238 176.870 0.085 0.000 1.236 808 L CA -0.286 54.642 54.840 0.146 0.000 0.823 808 L CB 0.046 42.206 42.059 0.167 0.000 1.098 808 L HN 0.471 nan 8.230 nan 0.000 0.500 809 Q N 2.497 122.338 119.800 0.067 0.000 2.263 809 Q HA -0.057 4.257 4.340 -0.044 0.000 0.289 809 Q C 0.145 176.138 176.000 -0.012 0.000 1.061 809 Q CA 0.263 56.093 55.803 0.044 0.000 0.927 809 Q CB 0.181 28.956 28.738 0.062 0.000 1.154 809 Q HN 0.587 nan 8.270 nan 0.000 0.378 810 N N 0.845 119.523 118.700 -0.036 0.000 2.909 810 N HA -0.201 4.513 4.740 -0.044 0.000 0.242 810 N C -0.468 174.905 175.510 -0.228 0.000 0.975 810 N CA 1.106 54.070 53.050 -0.142 0.000 0.921 810 N CB -0.710 37.621 38.487 -0.260 0.000 1.112 810 N HN 0.684 nan 8.380 nan 0.000 0.581 811 E N 0.033 120.139 120.200 -0.157 0.000 2.229 811 E HA 0.239 4.563 4.350 -0.044 0.000 0.283 811 E C -1.108 175.295 176.600 -0.329 0.000 1.030 811 E CA -0.434 55.845 56.400 -0.201 0.000 0.836 811 E CB 0.504 30.165 29.700 -0.066 0.000 1.068 811 E HN 0.182 nan 8.360 nan 0.000 0.401 812 Y N 3.227 123.172 120.300 -0.593 0.000 2.356 812 Y HA 0.458 4.982 4.550 -0.044 0.000 0.334 812 Y C -0.426 175.095 175.900 -0.633 0.000 0.958 812 Y CA -0.785 56.741 58.100 -0.957 0.000 1.196 812 Y CB 1.245 39.342 38.460 -0.605 0.000 1.137 812 Y HN 0.639 nan 8.280 nan 0.000 0.485 813 A N 6.706 129.231 122.820 -0.492 0.000 2.354 813 A HA 0.391 4.685 4.320 -0.044 0.000 0.281 813 A C -0.089 177.472 177.584 -0.037 0.000 1.174 813 A CA -0.174 51.674 52.037 -0.315 0.000 0.828 813 A CB 0.201 18.957 19.000 -0.406 0.000 1.099 813 A HN 1.066 nan 8.150 nan 0.000 0.516 814 L N 1.987 123.195 121.223 -0.025 0.000 2.547 814 L HA 0.160 4.474 4.340 -0.044 0.000 0.218 814 L C 0.852 177.769 176.870 0.079 0.000 1.048 814 L CA 0.636 55.518 54.840 0.071 0.000 0.859 814 L CB 0.186 42.253 42.059 0.013 0.000 1.128 814 L HN 0.772 nan 8.230 nan 0.000 0.483 815 S N -0.052 115.677 115.700 0.048 0.000 2.570 815 S HA 0.761 5.205 4.470 -0.044 0.000 0.286 815 S C -1.122 173.538 174.600 0.100 0.000 1.099 815 S CA -0.655 57.596 58.200 0.085 0.000 0.913 815 S CB 2.920 66.171 63.200 0.084 0.000 1.085 815 S HN -0.002 nan 8.310 nan 0.000 0.480 816 L N 1.521 122.823 121.223 0.132 0.000 2.482 816 L HA 0.845 5.159 4.340 -0.044 0.000 0.263 816 L C -1.737 175.241 176.870 0.181 0.000 0.957 816 L CA -0.447 54.496 54.840 0.172 0.000 0.836 816 L CB 1.908 44.072 42.059 0.174 0.000 1.324 816 L HN 0.756 nan 8.230 nan 0.000 0.406 817 V N 2.328 122.361 119.914 0.198 0.000 2.925 817 V HA 0.732 4.825 4.120 -0.044 0.000 0.311 817 V C -0.669 175.522 176.094 0.162 0.000 1.104 817 V CA -0.630 61.766 62.300 0.160 0.000 0.954 817 V CB 2.119 34.006 31.823 0.107 0.000 1.022 817 V HN 0.806 nan 8.190 nan 0.000 0.427 818 S N 2.749 118.496 115.700 0.078 0.000 2.498 818 S HA 0.817 5.260 4.470 -0.044 0.000 0.317 818 S C -0.641 173.897 174.600 -0.104 0.000 1.090 818 S CA -0.198 57.941 58.200 -0.102 0.000 1.089 818 S CB 0.583 63.645 63.200 -0.230 0.000 0.997 818 S HN 1.497 nan 8.310 nan 0.000 0.470 819 C N 3.553 122.777 119.300 -0.127 0.000 3.292 819 C HA 0.717 5.151 4.460 -0.044 0.000 0.338 819 C C -1.507 173.414 174.990 -0.115 0.000 1.323 819 C CA -1.180 57.778 59.018 -0.100 0.000 1.232 819 C CB 0.896 28.613 27.740 -0.038 0.000 1.517 819 C HN 0.915 nan 8.230 nan 0.000 0.470 820 K N 1.752 122.089 120.400 -0.105 0.000 2.138 820 K HA 0.811 5.105 4.320 -0.044 0.000 0.263 820 K C -1.329 175.253 176.600 -0.030 0.000 0.965 820 K CA -0.435 55.797 56.287 -0.091 0.000 0.868 820 K CB 1.586 34.019 32.500 -0.112 0.000 1.083 820 K HN 0.796 nan 8.250 nan 0.000 0.443 821 L N 1.745 122.966 121.223 -0.003 0.000 2.342 821 L HA 0.383 4.697 4.340 -0.044 0.000 0.271 821 L C 0.985 177.970 176.870 0.191 0.000 1.008 821 L CA -0.081 54.782 54.840 0.038 0.000 0.818 821 L CB 1.685 43.666 42.059 -0.130 0.000 1.296 821 L HN 1.139 nan 8.230 nan 0.000 0.427 822 G N 2.229 111.137 108.800 0.180 0.000 2.622 822 G HA2 -0.335 3.599 3.960 -0.044 0.000 0.307 822 G HA3 -0.335 3.599 3.960 -0.044 0.000 0.307 822 G C 0.396 175.377 174.900 0.135 0.000 1.226 822 G CA 0.292 45.501 45.100 0.182 0.000 0.997 822 G HN 0.660 nan 8.290 nan 0.000 0.551 823 K N 1.235 121.722 120.400 0.144 0.000 2.832 823 K HA 0.220 4.514 4.320 -0.044 0.000 0.211 823 K C -0.667 176.009 176.600 0.126 0.000 1.112 823 K CA -0.197 56.150 56.287 0.100 0.000 1.108 823 K CB 0.583 33.121 32.500 0.063 0.000 0.899 823 K HN 0.393 nan 8.250 nan 0.000 0.464 824 D N 1.893 122.414 120.400 0.201 0.000 2.373 824 D HA 0.110 4.724 4.640 -0.044 0.000 0.227 824 D C -1.438 174.922 176.300 0.101 0.000 1.091 824 D CA -2.219 51.919 54.000 0.230 0.000 0.840 824 D CB 1.679 42.793 40.800 0.524 0.000 1.060 824 D HN -0.007 nan 8.370 nan 0.000 0.502 825 P HA -0.115 nan 4.420 nan 0.000 0.221 825 P C 0.058 177.283 177.300 -0.125 0.000 1.145 825 P CA 0.261 63.339 63.100 -0.035 0.000 0.795 825 P CB 0.291 31.976 31.700 -0.026 0.000 0.775 826 N N 0.823 119.412 118.700 -0.185 0.000 2.407 826 N HA 0.029 4.743 4.740 -0.044 0.000 0.250 826 N C 0.167 175.274 175.510 -0.671 0.000 1.236 826 N CA 0.847 53.622 53.050 -0.459 0.000 0.879 826 N CB -0.075 38.014 38.487 -0.664 0.000 1.088 826 N HN 0.004 nan 8.380 nan 0.000 0.450 827 T N 2.634 116.833 114.554 -0.592 0.000 2.799 827 T HA 0.382 4.706 4.350 -0.044 0.000 0.286 827 T C -0.329 174.001 174.700 -0.617 0.000 0.973 827 T CA -0.194 61.590 62.100 -0.527 0.000 1.035 827 T CB 0.198 68.841 68.868 -0.373 0.000 0.932 827 T HN 0.224 nan 8.240 nan 0.000 0.469 828 Y N 0.893 121.042 120.300 -0.253 0.000 2.429 828 Y HA 0.538 5.062 4.550 -0.044 0.000 0.342 828 Y C -0.300 175.458 175.900 -0.237 0.000 1.004 828 Y CA -1.487 56.492 58.100 -0.202 0.000 1.075 828 Y CB 1.326 39.648 38.460 -0.230 0.000 1.214 828 Y HN 0.514 nan 8.280 nan 0.000 0.455 829 F N 3.654 123.736 119.950 0.220 0.000 2.424 829 F HA 0.418 4.919 4.527 -0.043 0.000 0.356 829 F C -0.137 175.818 175.800 0.259 0.000 1.110 829 F CA -0.603 57.512 58.000 0.192 0.000 1.161 829 F CB 0.411 39.509 39.000 0.162 0.000 1.115 829 F HN 0.171 nan 8.300 nan 0.000 0.507 830 I N 4.672 125.447 120.570 0.343 0.000 2.389 830 I HA 0.423 4.567 4.170 -0.044 0.000 0.288 830 I C -0.962 175.303 176.117 0.246 0.000 0.999 830 I CA -0.856 60.571 61.300 0.210 0.000 1.129 830 I CB 1.600 39.615 38.000 0.024 0.000 1.288 830 I HN 0.123 nan 8.210 nan 0.000 0.444 831 V N 4.716 124.804 119.914 0.289 0.000 2.495 831 V HA 0.659 4.753 4.120 -0.044 0.000 0.298 831 V C 0.445 176.600 176.094 0.101 0.000 1.031 831 V CA -0.546 61.904 62.300 0.249 0.000 0.871 831 V CB 1.771 33.865 31.823 0.452 0.000 0.988 831 V HN 0.884 nan 8.190 nan 0.000 0.432 832 G N 2.316 111.133 108.800 0.028 0.000 2.368 832 G HA2 0.660 4.594 3.960 -0.044 0.000 0.320 832 G HA3 0.660 4.594 3.960 -0.044 0.000 0.320 832 G C -0.144 174.695 174.900 -0.102 0.000 1.158 832 G CA -0.038 45.045 45.100 -0.028 0.000 0.912 832 G HN 0.829 nan 8.290 nan 0.000 0.456 833 T N -1.100 113.373 114.554 -0.134 0.000 2.807 833 T HA 0.872 5.196 4.350 -0.044 0.000 0.277 833 T C -0.276 174.306 174.700 -0.197 0.000 1.006 833 T CA -0.481 61.495 62.100 -0.206 0.000 1.006 833 T CB 2.115 70.816 68.868 -0.278 0.000 1.274 833 T HN 1.663 nan 8.240 nan 0.000 0.569 834 A N 0.958 123.640 122.820 -0.230 0.000 2.547 834 A HA 0.638 4.931 4.320 -0.044 0.000 0.297 834 A C -0.807 176.587 177.584 -0.317 0.000 1.056 834 A CA -0.935 50.942 52.037 -0.266 0.000 0.688 834 A CB 1.503 20.310 19.000 -0.321 0.000 1.282 834 A HN 0.724 nan 8.150 nan 0.000 0.400 835 M N 2.702 122.069 119.600 -0.389 0.000 2.077 835 M HA 0.288 4.741 4.480 -0.044 0.000 0.348 835 M C -0.482 175.457 176.300 -0.601 0.000 1.252 835 M CA -0.344 54.609 55.300 -0.578 0.000 1.096 835 M CB 0.396 32.557 32.600 -0.733 0.000 1.568 835 M HN 0.355 nan 8.290 nan 0.000 0.456 836 V N 6.055 125.625 119.914 -0.574 0.000 2.364 836 V HA 0.354 4.448 4.120 -0.044 0.000 0.272 836 V C -0.558 175.266 176.094 -0.451 0.000 1.036 836 V CA -0.431 61.630 62.300 -0.399 0.000 0.880 836 V CB 0.322 32.004 31.823 -0.235 0.000 0.991 836 V HN 0.653 nan 8.190 nan 0.000 0.460 837 Y N 5.033 125.303 120.300 -0.051 0.000 2.549 837 Y HA 0.395 4.918 4.550 -0.044 0.000 0.339 837 Y C -1.320 174.573 175.900 -0.011 0.000 1.053 837 Y CA -2.017 56.068 58.100 -0.026 0.000 1.105 837 Y CB 1.737 40.181 38.460 -0.027 0.000 1.258 837 Y HN 0.422 nan 8.280 nan 0.000 0.478 838 P HA -0.139 nan 4.420 nan 0.000 0.215 838 P C 0.063 177.409 177.300 0.077 0.000 1.153 838 P CA 1.531 64.692 63.100 0.102 0.000 0.853 838 P CB 0.387 32.139 31.700 0.087 0.000 0.788 839 E N -0.071 120.175 120.200 0.077 0.000 2.651 839 E HA 0.184 4.508 4.350 -0.044 0.000 0.213 839 E C -0.305 176.329 176.600 0.056 0.000 1.028 839 E CA 0.038 56.470 56.400 0.053 0.000 1.183 839 E CB -0.007 29.714 29.700 0.034 0.000 1.188 839 E HN 0.463 nan 8.360 nan 0.000 0.444 840 E N 0.090 120.334 120.200 0.074 0.000 2.176 840 E HA 0.496 4.819 4.350 -0.044 0.000 0.267 840 E C 0.305 176.931 176.600 0.043 0.000 0.893 840 E CA -0.460 55.980 56.400 0.066 0.000 0.761 840 E CB 1.936 31.696 29.700 0.100 0.000 1.133 840 E HN 0.089 nan 8.360 nan 0.000 0.409 841 A N 3.695 126.538 122.820 0.039 0.000 1.903 841 A HA -0.012 4.282 4.320 -0.044 0.000 0.213 841 A C 0.657 178.260 177.584 0.031 0.000 1.185 841 A CA 0.859 52.916 52.037 0.034 0.000 0.628 841 A CB 0.229 19.252 19.000 0.039 0.000 0.830 841 A HN 0.556 nan 8.150 nan 0.000 0.446 842 E N 0.449 120.672 120.200 0.037 0.000 2.158 842 E HA 0.372 4.695 4.350 -0.044 0.000 0.271 842 E C -2.742 173.871 176.600 0.022 0.000 0.911 842 E CA -2.411 54.014 56.400 0.041 0.000 0.767 842 E CB 1.273 31.009 29.700 0.060 0.000 1.120 842 E HN 0.100 nan 8.360 nan 0.000 0.405 843 P HA -0.012 nan 4.420 nan 0.000 0.263 843 P C 0.083 177.378 177.300 -0.008 0.000 1.195 843 P CA 0.107 63.174 63.100 -0.055 0.000 0.762 843 P CB 0.612 32.217 31.700 -0.158 0.000 0.799 844 K N 1.310 121.731 120.400 0.035 0.000 2.361 844 K HA 0.135 4.429 4.320 -0.044 0.000 0.194 844 K C 0.332 176.981 176.600 0.082 0.000 1.032 844 K CA 0.678 57.004 56.287 0.065 0.000 1.048 844 K CB 0.461 33.012 32.500 0.086 0.000 0.842 844 K HN 0.510 nan 8.250 nan 0.000 0.526 845 Q N -1.375 118.457 119.800 0.052 0.000 2.359 845 Q HA 0.655 4.969 4.340 -0.044 0.000 0.274 845 Q C -0.685 175.291 176.000 -0.040 0.000 1.074 845 Q CA -0.973 54.882 55.803 0.086 0.000 0.810 845 Q CB 2.453 31.277 28.738 0.143 0.000 1.342 845 Q HN 0.176 nan 8.270 nan 0.000 0.427 846 G N 0.946 109.783 108.800 0.062 0.000 2.687 846 G HA2 0.670 4.603 3.960 -0.044 0.000 0.291 846 G HA3 0.670 4.603 3.960 -0.044 0.000 0.291 846 G C -1.451 173.542 174.900 0.155 0.000 1.420 846 G CA -0.632 44.467 45.100 -0.001 0.000 0.796 846 G HN 0.350 nan 8.290 nan 0.000 0.485 847 R N -1.044 119.509 120.500 0.088 0.000 2.854 847 R HA 0.653 4.966 4.340 -0.044 0.000 0.271 847 R C -1.120 175.196 176.300 0.027 0.000 0.994 847 R CA -0.883 55.288 56.100 0.118 0.000 0.945 847 R CB 2.509 32.921 30.300 0.187 0.000 1.194 847 R HN 0.377 nan 8.270 nan 0.000 0.476 848 I N 1.765 122.331 120.570 -0.006 0.000 2.418 848 I HA 0.310 4.454 4.170 -0.044 0.000 0.287 848 I C -0.776 175.294 176.117 -0.077 0.000 1.008 848 I CA -0.901 60.364 61.300 -0.058 0.000 1.104 848 I CB 2.150 40.058 38.000 -0.154 0.000 1.264 848 I HN 0.136 nan 8.210 nan 0.000 0.438 849 V N 7.039 126.913 119.914 -0.067 0.000 2.409 849 V HA 0.348 4.442 4.120 -0.044 0.000 0.291 849 V C -0.012 175.872 176.094 -0.351 0.000 1.020 849 V CA -0.783 61.371 62.300 -0.244 0.000 0.848 849 V CB 1.992 33.627 31.823 -0.313 0.000 0.990 849 V HN 0.364 nan 8.190 nan 0.000 0.430 850 V N 6.047 125.715 119.914 -0.410 0.000 2.385 850 V HA 0.447 4.541 4.120 -0.044 0.000 0.269 850 V C -0.345 175.500 176.094 -0.416 0.000 1.043 850 V CA -0.056 62.002 62.300 -0.404 0.000 0.906 850 V CB 0.547 32.005 31.823 -0.608 0.000 0.995 850 V HN 0.638 nan 8.190 nan 0.000 0.467 851 F N 2.968 122.940 119.950 0.037 0.000 2.507 851 F HA 0.611 5.112 4.527 -0.043 0.000 0.327 851 F C 0.283 176.246 175.800 0.271 0.000 1.068 851 F CA -0.560 57.510 58.000 0.116 0.000 0.965 851 F CB 1.649 40.730 39.000 0.134 0.000 1.192 851 F HN 0.348 nan 8.300 nan 0.000 0.476 852 Q N 1.742 121.819 119.800 0.462 0.000 2.353 852 Q HA 0.320 4.634 4.340 -0.044 0.000 0.268 852 Q C -2.101 174.079 176.000 0.301 0.000 1.045 852 Q CA -0.903 55.125 55.803 0.375 0.000 0.811 852 Q CB 2.044 30.972 28.738 0.316 0.000 1.305 852 Q HN 0.726 nan 8.270 nan 0.000 0.447 853 Y N 2.511 122.889 120.300 0.131 0.000 2.356 853 Y HA 0.292 4.816 4.550 -0.044 0.000 0.334 853 Y C -0.065 175.840 175.900 0.007 0.000 0.958 853 Y CA -0.267 57.876 58.100 0.072 0.000 1.196 853 Y CB 1.462 40.031 38.460 0.182 0.000 1.137 853 Y HN 0.675 nan 8.280 nan 0.000 0.485 854 S N 1.870 117.304 115.700 -0.442 0.000 2.602 854 S HA 0.335 4.779 4.470 -0.044 0.000 0.240 854 S C -0.945 173.351 174.600 -0.508 0.000 0.992 854 S CA -0.033 57.953 58.200 -0.358 0.000 0.971 854 S CB -0.694 62.393 63.200 -0.189 0.000 0.855 854 S HN 0.842 nan 8.310 nan 0.000 0.481 855 D N -0.069 119.681 120.400 -1.083 0.000 8.956 855 D HA 0.246 4.860 4.640 -0.044 0.000 0.275 855 D C 0.909 176.974 176.300 -0.392 0.000 2.495 855 D CA 1.307 54.844 54.000 -0.772 0.000 2.321 855 D CB -1.109 39.517 40.800 -0.289 0.000 0.956 855 D HN 0.756 nan 8.370 nan 0.000 0.669 856 G N 2.106 110.769 108.800 -0.229 0.000 3.206 856 G HA2 -0.351 3.583 3.960 -0.044 0.000 0.217 856 G HA3 -0.351 3.583 3.960 -0.044 0.000 0.217 856 G C 0.247 175.093 174.900 -0.090 0.000 1.350 856 G CA 0.539 45.593 45.100 -0.077 0.000 0.836 856 G HN 0.657 nan 8.290 nan 0.000 0.548 857 K N 0.490 120.767 120.400 -0.205 0.000 2.156 857 K HA 0.702 4.996 4.320 -0.044 0.000 0.254 857 K C -1.060 175.371 176.600 -0.282 0.000 0.950 857 K CA -0.793 55.377 56.287 -0.196 0.000 0.849 857 K CB 1.894 34.333 32.500 -0.102 0.000 1.100 857 K HN 0.226 nan 8.250 nan 0.000 0.434 858 L N 4.763 125.805 121.223 -0.301 0.000 2.415 858 L HA 0.258 4.572 4.340 -0.044 0.000 0.268 858 L C -1.064 175.799 176.870 -0.012 0.000 0.984 858 L CA -0.380 54.372 54.840 -0.147 0.000 0.853 858 L CB 1.389 43.223 42.059 -0.376 0.000 1.215 858 L HN 0.770 nan 8.230 nan 0.000 0.419 859 Q N 2.637 122.488 119.800 0.086 0.000 2.274 859 Q HA 0.444 4.758 4.340 -0.044 0.000 0.260 859 Q C -0.813 175.287 176.000 0.167 0.000 0.974 859 Q CA -0.747 55.120 55.803 0.107 0.000 0.876 859 Q CB 1.659 30.439 28.738 0.070 0.000 1.297 859 Q HN 0.546 nan 8.270 nan 0.000 0.446 860 T N 2.462 117.073 114.554 0.096 0.000 2.799 860 T HA 0.103 4.426 4.350 -0.044 0.000 0.296 860 T C 1.130 175.804 174.700 -0.044 0.000 0.947 860 T CA -0.405 61.660 62.100 -0.058 0.000 1.141 860 T CB 1.000 69.811 68.868 -0.094 0.000 0.891 860 T HN 0.501 nan 8.240 nan 0.000 0.533 861 V N 2.135 121.996 119.914 -0.089 0.000 2.374 861 V HA 0.372 4.466 4.120 -0.044 0.000 0.241 861 V C 1.045 177.130 176.094 -0.016 0.000 1.034 861 V CA 1.108 63.396 62.300 -0.020 0.000 1.037 861 V CB -0.256 31.535 31.823 -0.054 0.000 0.682 861 V HN 1.017 nan 8.190 nan 0.000 0.463 862 A N -0.261 122.517 122.820 -0.070 0.000 2.488 862 A HA 0.649 4.943 4.320 -0.044 0.000 0.295 862 A C -0.966 176.563 177.584 -0.093 0.000 1.045 862 A CA -0.577 51.448 52.037 -0.021 0.000 0.703 862 A CB 1.172 20.259 19.000 0.146 0.000 1.271 862 A HN 0.335 nan 8.150 nan 0.000 0.400 863 E N 0.896 121.056 120.200 -0.067 0.000 2.204 863 E HA 0.525 4.849 4.350 -0.044 0.000 0.276 863 E C -0.700 175.876 176.600 -0.041 0.000 0.974 863 E CA -0.606 55.760 56.400 -0.058 0.000 0.815 863 E CB 1.977 31.661 29.700 -0.028 0.000 1.119 863 E HN 0.480 nan 8.360 nan 0.000 0.393 864 K N 2.024 122.398 120.400 -0.043 0.000 2.397 864 K HA 0.154 4.448 4.320 -0.044 0.000 0.253 864 K C -1.208 175.397 176.600 0.009 0.000 0.932 864 K CA -0.577 55.691 56.287 -0.032 0.000 0.795 864 K CB 1.547 33.997 32.500 -0.083 0.000 1.159 864 K HN 0.454 nan 8.250 nan 0.000 0.424 865 E N 3.542 123.752 120.200 0.017 0.000 2.259 865 E HA 0.325 4.649 4.350 -0.044 0.000 0.281 865 E C -0.867 175.794 176.600 0.102 0.000 1.027 865 E CA -0.812 55.624 56.400 0.061 0.000 0.838 865 E CB 0.962 30.635 29.700 -0.044 0.000 1.066 865 E HN 0.404 nan 8.360 nan 0.000 0.401 866 V N 1.477 121.478 119.914 0.145 0.000 3.001 866 V HA 0.498 4.592 4.120 -0.044 0.000 0.314 866 V C -0.473 175.705 176.094 0.140 0.000 1.099 866 V CA -1.200 61.183 62.300 0.139 0.000 0.989 866 V CB 1.808 33.712 31.823 0.135 0.000 1.040 866 V HN 0.574 nan 8.190 nan 0.000 0.434 867 K N 2.248 122.721 120.400 0.122 0.000 2.751 867 K HA 0.703 4.996 4.320 -0.044 0.000 0.252 867 K C 0.241 176.891 176.600 0.083 0.000 1.277 867 K CA 0.934 57.287 56.287 0.110 0.000 1.226 867 K CB 0.035 32.596 32.500 0.102 0.000 1.658 867 K HN 1.407 nan 8.250 nan 0.000 0.303 868 G N -0.669 108.165 108.800 0.056 0.000 2.368 868 G HA2 0.315 4.249 3.960 -0.044 0.000 0.302 868 G HA3 0.315 4.249 3.960 -0.044 0.000 0.302 868 G C -1.503 173.346 174.900 -0.085 0.000 1.329 868 G CA -0.640 44.461 45.100 0.001 0.000 0.935 868 G HN 0.279 nan 8.290 nan 0.000 0.590 869 A N -0.650 122.046 122.820 -0.207 0.000 2.409 869 A HA 0.583 4.876 4.320 -0.044 0.000 0.262 869 A C 0.544 177.853 177.584 -0.459 0.000 1.113 869 A CA -0.055 51.713 52.037 -0.449 0.000 0.790 869 A CB 0.651 19.152 19.000 -0.831 0.000 1.046 869 A HN 1.659 nan 8.150 nan 0.000 0.496 870 V N 4.988 124.704 119.914 -0.330 0.000 2.267 870 V HA 0.050 4.144 4.120 -0.044 0.000 0.254 870 V C 0.475 176.463 176.094 -0.177 0.000 1.144 870 V CA 0.133 62.330 62.300 -0.173 0.000 0.992 870 V CB -1.594 30.187 31.823 -0.069 0.000 1.199 870 V HN 0.960 nan 8.190 nan 0.000 0.493 871 Y N 1.751 122.039 120.300 -0.021 0.000 2.133 871 Y HA -0.067 4.457 4.550 -0.044 0.000 0.287 871 Y C 1.768 177.663 175.900 -0.008 0.000 1.134 871 Y CA 1.715 59.794 58.100 -0.035 0.000 1.133 871 Y CB 0.270 38.673 38.460 -0.095 0.000 0.987 871 Y HN 0.556 nan 8.280 nan 0.000 0.502 872 S N -0.087 115.706 115.700 0.153 0.000 2.548 872 S HA 0.747 5.191 4.470 -0.044 0.000 0.286 872 S C -0.938 173.718 174.600 0.093 0.000 1.098 872 S CA -0.865 57.405 58.200 0.117 0.000 0.930 872 S CB 0.812 64.071 63.200 0.099 0.000 1.070 872 S HN 0.206 nan 8.310 nan 0.000 0.480 873 M N 2.520 122.179 119.600 0.098 0.000 2.520 873 M HA 0.816 5.270 4.480 -0.044 0.000 0.280 873 M C -1.664 174.698 176.300 0.103 0.000 1.232 873 M CA -1.033 54.322 55.300 0.091 0.000 0.892 873 M CB 1.779 34.430 32.600 0.086 0.000 1.728 873 M HN 0.424 nan 8.290 nan 0.000 0.475 874 V N 0.351 120.326 119.914 0.102 0.000 2.969 874 V HA 0.424 4.518 4.120 -0.044 0.000 0.304 874 V C -1.203 174.975 176.094 0.140 0.000 1.192 874 V CA -0.321 62.052 62.300 0.121 0.000 0.962 874 V CB 2.268 34.169 31.823 0.129 0.000 1.045 874 V HN 1.020 nan 8.190 nan 0.000 0.428 875 E N 3.990 124.270 120.200 0.134 0.000 2.384 875 E HA 0.172 4.496 4.350 -0.044 0.000 0.266 875 E C -1.827 174.910 176.600 0.228 0.000 1.012 875 E CA 0.048 56.531 56.400 0.139 0.000 0.901 875 E CB 0.997 30.745 29.700 0.079 0.000 0.967 875 E HN 0.601 nan 8.360 nan 0.000 0.435 876 F N 4.557 124.520 119.950 0.021 0.000 2.902 876 F HA 0.207 4.708 4.527 -0.044 0.000 0.368 876 F C -0.524 175.268 175.800 -0.014 0.000 1.202 876 F CA -0.721 57.285 58.000 0.010 0.000 1.109 876 F CB 0.009 39.013 39.000 0.007 0.000 1.418 876 F HN 0.592 nan 8.300 nan 0.000 0.527 877 N N 3.573 122.110 118.700 -0.272 0.000 2.686 877 N HA -0.172 4.542 4.740 -0.044 0.000 0.261 877 N C 1.034 176.491 175.510 -0.089 0.000 1.001 877 N CA 1.005 53.916 53.050 -0.231 0.000 0.764 877 N CB -1.015 37.244 38.487 -0.380 0.000 0.898 877 N HN 1.235 nan 8.380 nan 0.000 0.544 878 G N -1.569 107.219 108.800 -0.020 0.000 2.179 878 G HA2 -0.386 3.548 3.960 -0.044 0.000 0.260 878 G HA3 -0.386 3.548 3.960 -0.044 0.000 0.260 878 G C 0.041 174.983 174.900 0.069 0.000 0.977 878 G CA 0.905 46.021 45.100 0.026 0.000 0.641 878 G HN 0.568 nan 8.290 nan 0.000 0.533 879 K N -0.818 119.635 120.400 0.088 0.000 2.221 879 K HA 0.737 5.031 4.320 -0.044 0.000 0.243 879 K C -0.676 176.023 176.600 0.165 0.000 0.968 879 K CA -1.124 55.245 56.287 0.136 0.000 0.846 879 K CB 2.197 34.768 32.500 0.117 0.000 1.141 879 K HN 0.112 nan 8.250 nan 0.000 0.434 880 L N 3.192 124.520 121.223 0.175 0.000 2.270 880 L HA 0.245 4.559 4.340 -0.044 0.000 0.286 880 L C -0.989 176.005 176.870 0.206 0.000 1.059 880 L CA -0.409 54.529 54.840 0.164 0.000 0.839 880 L CB 0.417 42.541 42.059 0.110 0.000 1.221 880 L HN 0.448 nan 8.230 nan 0.000 0.431 881 L N 5.157 126.467 121.223 0.146 0.000 2.319 881 L HA 0.674 4.987 4.340 -0.044 0.000 0.280 881 L C -0.273 176.651 176.870 0.091 0.000 1.099 881 L CA 0.056 54.937 54.840 0.067 0.000 0.828 881 L CB 0.892 42.896 42.059 -0.091 0.000 1.150 881 L HN 0.801 nan 8.230 nan 0.000 0.442 882 A N 3.738 126.627 122.820 0.114 0.000 2.449 882 A HA 0.645 4.938 4.320 -0.044 0.000 0.302 882 A C -0.632 176.999 177.584 0.079 0.000 1.048 882 A CA -0.472 51.639 52.037 0.124 0.000 0.708 882 A CB 1.556 20.685 19.000 0.216 0.000 1.274 882 A HN 0.673 nan 8.150 nan 0.000 0.410 883 S N 0.583 116.325 115.700 0.070 0.000 2.499 883 S HA 0.638 5.082 4.470 -0.044 0.000 0.279 883 S C -0.538 174.119 174.600 0.095 0.000 1.219 883 S CA -0.101 58.142 58.200 0.071 0.000 1.062 883 S CB 0.090 63.344 63.200 0.090 0.000 0.978 883 S HN 0.460 nan 8.310 nan 0.000 0.489 884 I N 3.763 124.390 120.570 0.095 0.000 2.517 884 I HA 0.311 4.455 4.170 -0.044 0.000 0.280 884 I C 0.459 176.645 176.117 0.115 0.000 1.061 884 I CA -0.364 60.984 61.300 0.081 0.000 1.091 884 I CB 0.653 38.705 38.000 0.086 0.000 1.205 884 I HN 0.774 nan 8.210 nan 0.000 0.459 885 N N 2.765 121.579 118.700 0.189 0.000 1.629 885 N HA -0.331 4.383 4.740 -0.044 0.000 0.153 885 N C 1.005 176.604 175.510 0.149 0.000 0.652 885 N CA 1.909 55.106 53.050 0.246 0.000 1.156 885 N CB -0.751 37.826 38.487 0.151 0.000 1.324 885 N HN 0.703 nan 8.380 nan 0.000 0.449 886 S N -0.244 115.518 115.700 0.103 0.000 2.575 886 S HA 0.163 4.607 4.470 -0.044 0.000 0.215 886 S C 0.160 174.803 174.600 0.071 0.000 0.966 886 S CA 0.144 58.385 58.200 0.069 0.000 0.911 886 S CB 0.387 63.629 63.200 0.071 0.000 0.780 886 S HN 0.427 nan 8.310 nan 0.000 0.514 887 T N 2.576 117.170 114.554 0.066 0.000 2.771 887 T HA 0.529 4.853 4.350 -0.044 0.000 0.281 887 T C -0.432 174.254 174.700 -0.023 0.000 0.982 887 T CA -0.505 61.591 62.100 -0.007 0.000 0.978 887 T CB 1.722 70.591 68.868 0.002 0.000 0.930 887 T HN 0.043 nan 8.240 nan 0.000 0.447 888 V N 4.709 124.583 119.914 -0.067 0.000 2.383 888 V HA 0.491 4.584 4.120 -0.044 0.000 0.275 888 V C 0.438 176.514 176.094 -0.030 0.000 1.036 888 V CA -0.658 61.578 62.300 -0.107 0.000 0.889 888 V CB 0.922 32.573 31.823 -0.286 0.000 0.985 888 V HN 0.689 nan 8.190 nan 0.000 0.459 889 R N 3.378 123.890 120.500 0.019 0.000 2.670 889 R HA 0.673 4.987 4.340 -0.044 0.000 0.289 889 R C -1.682 174.655 176.300 0.063 0.000 0.965 889 R CA -0.967 55.149 56.100 0.027 0.000 0.899 889 R CB 2.087 32.314 30.300 -0.121 0.000 1.173 889 R HN 0.560 nan 8.270 nan 0.000 0.456 890 L N 3.707 124.929 121.223 -0.002 0.000 2.305 890 L HA 0.425 4.739 4.340 -0.044 0.000 0.284 890 L C -1.637 175.134 176.870 -0.166 0.000 1.013 890 L CA -0.309 54.516 54.840 -0.025 0.000 0.819 890 L CB 1.056 43.071 42.059 -0.073 0.000 1.227 890 L HN 0.518 nan 8.230 nan 0.000 0.417 891 Y N 2.851 123.176 120.300 0.042 0.000 2.387 891 Y HA 0.504 5.028 4.550 -0.044 0.000 0.336 891 Y C 0.101 176.046 175.900 0.075 0.000 1.067 891 Y CA -0.434 57.702 58.100 0.059 0.000 1.114 891 Y CB 1.726 40.234 38.460 0.080 0.000 1.208 891 Y HN 0.520 nan 8.280 nan 0.000 0.458 892 E N 2.565 122.920 120.200 0.259 0.000 2.183 892 E HA 0.072 4.396 4.350 -0.044 0.000 0.271 892 E C -1.400 175.377 176.600 0.295 0.000 0.919 892 E CA -0.768 55.760 56.400 0.213 0.000 0.781 892 E CB 1.383 31.154 29.700 0.118 0.000 1.140 892 E HN 0.625 nan 8.360 nan 0.000 0.402 893 W N 5.700 127.034 121.300 0.056 0.000 2.416 893 W HA 0.091 4.725 4.660 -0.044 0.000 0.318 893 W C -0.013 176.521 176.519 0.025 0.000 1.150 893 W CA -0.580 56.782 57.345 0.028 0.000 1.392 893 W CB 0.823 30.299 29.460 0.027 0.000 1.311 893 W HN 0.564 nan 8.180 nan 0.000 0.436 894 T N 0.930 115.333 114.554 -0.251 0.000 2.788 894 T HA 0.007 4.331 4.350 -0.044 0.000 0.287 894 T C 1.599 176.065 174.700 -0.390 0.000 1.007 894 T CA 0.381 62.331 62.100 -0.250 0.000 1.005 894 T CB 1.452 70.198 68.868 -0.203 0.000 1.012 894 T HN 0.495 nan 8.240 nan 0.000 0.530 895 T N -1.627 112.794 114.554 -0.221 0.000 3.007 895 T HA -0.044 4.280 4.350 -0.044 0.000 0.270 895 T C 1.106 175.670 174.700 -0.227 0.000 1.107 895 T CA 0.976 62.966 62.100 -0.183 0.000 1.118 895 T CB -0.518 68.293 68.868 -0.094 0.000 0.889 895 T HN 0.717 nan 8.240 nan 0.000 0.506 896 E N 1.096 121.136 120.200 -0.266 0.000 2.476 896 E HA 0.279 4.603 4.350 -0.044 0.000 0.191 896 E C 0.177 176.549 176.600 -0.380 0.000 1.064 896 E CA -0.125 56.127 56.400 -0.247 0.000 0.866 896 E CB -0.240 29.352 29.700 -0.180 0.000 0.952 896 E HN 0.528 nan 8.360 nan 0.000 0.492 897 K N 0.844 120.836 120.400 -0.680 0.000 3.239 897 K HA -0.229 4.065 4.320 -0.044 0.000 0.270 897 K C -0.681 175.169 176.600 -1.251 0.000 1.049 897 K CA 0.808 56.378 56.287 -1.195 0.000 0.769 897 K CB -1.521 30.723 32.500 -0.428 0.000 1.305 897 K HN 0.388 nan 8.250 nan 0.000 0.469 898 E N -0.704 118.819 120.200 -1.127 0.000 2.408 898 E HA 0.554 4.877 4.350 -0.044 0.000 0.275 898 E C -1.166 175.335 176.600 -0.164 0.000 0.935 898 E CA -1.228 54.889 56.400 -0.473 0.000 0.775 898 E CB 0.971 30.541 29.700 -0.217 0.000 1.277 898 E HN -0.026 nan 8.360 nan 0.000 0.455 899 L N 1.905 123.216 121.223 0.147 0.000 2.281 899 L HA 0.445 4.759 4.340 -0.044 0.000 0.285 899 L C -0.229 176.799 176.870 0.263 0.000 1.074 899 L CA 0.157 55.139 54.840 0.237 0.000 0.817 899 L CB 0.533 42.571 42.059 -0.036 0.000 1.168 899 L HN 0.645 nan 8.230 nan 0.000 0.434 900 R N 1.908 122.600 120.500 0.322 0.000 2.409 900 R HA 0.305 4.619 4.340 -0.044 0.000 0.313 900 R C -0.447 175.976 176.300 0.204 0.000 0.953 900 R CA -0.443 55.798 56.100 0.234 0.000 0.849 900 R CB 1.383 31.739 30.300 0.094 0.000 1.171 900 R HN 0.701 nan 8.270 nan 0.000 0.458 901 T N 0.984 115.573 114.554 0.060 0.000 2.888 901 T HA 0.003 4.327 4.350 -0.044 0.000 0.301 901 T C 0.820 175.434 174.700 -0.144 0.000 1.001 901 T CA 0.176 62.102 62.100 -0.292 0.000 1.147 901 T CB 1.053 69.657 68.868 -0.441 0.000 0.931 901 T HN 0.840 nan 8.240 nan 0.000 0.541 902 E N 2.341 122.439 120.200 -0.170 0.000 2.330 902 E HA 0.172 4.495 4.350 -0.044 0.000 0.200 902 E C -0.133 176.371 176.600 -0.160 0.000 0.922 902 E CA -0.260 56.074 56.400 -0.111 0.000 0.935 902 E CB 0.688 30.344 29.700 -0.073 0.000 0.917 902 E HN 0.637 nan 8.360 nan 0.000 0.491 903 C N 0.069 119.220 119.300 -0.248 0.000 2.783 903 C HA 0.558 4.992 4.460 -0.044 0.000 0.312 903 C C -1.436 173.422 174.990 -0.219 0.000 1.182 903 C CA -0.618 58.174 59.018 -0.377 0.000 1.432 903 C CB 0.867 28.120 27.740 -0.812 0.000 1.933 903 C HN 0.411 nan 8.230 nan 0.000 0.473 904 N N 1.513 120.140 118.700 -0.120 0.000 2.235 904 N HA 0.500 5.214 4.740 -0.044 0.000 0.293 904 N C -1.648 173.898 175.510 0.060 0.000 1.083 904 N CA -0.609 52.389 53.050 -0.087 0.000 0.801 904 N CB 1.398 39.705 38.487 -0.301 0.000 1.559 904 N HN 0.766 nan 8.380 nan 0.000 0.472 905 H N 1.759 120.695 119.070 -0.225 0.000 2.667 905 H HA 0.237 4.767 4.556 -0.044 0.000 0.353 905 H C -0.896 174.174 175.328 -0.431 0.000 1.072 905 H CA -0.306 55.609 56.048 -0.221 0.000 1.214 905 H CB 1.000 30.635 29.762 -0.211 0.000 1.600 905 H HN 0.760 nan 8.280 nan 0.000 0.527 906 Y N 2.073 122.135 120.300 -0.397 0.000 2.426 906 Y HA 0.103 4.627 4.550 -0.044 0.000 0.249 906 Y C 1.583 177.343 175.900 -0.233 0.000 1.103 906 Y CA -0.195 57.782 58.100 -0.206 0.000 1.256 906 Y CB 0.687 39.068 38.460 -0.132 0.000 1.208 906 Y HN 0.531 nan 8.280 nan 0.000 0.519 907 N N 2.292 120.770 118.700 -0.369 0.000 3.103 907 N HA 0.047 4.761 4.740 -0.044 0.000 0.305 907 N C -1.304 174.236 175.510 0.051 0.000 1.232 907 N CA 0.208 53.183 53.050 -0.125 0.000 1.190 907 N CB -0.533 37.870 38.487 -0.140 0.000 1.461 907 N HN 0.427 nan 8.380 nan 0.000 0.538 908 N N 0.489 119.207 118.700 0.030 0.000 2.331 908 N HA 0.271 4.984 4.740 -0.044 0.000 0.280 908 N C 0.471 175.970 175.510 -0.019 0.000 1.155 908 N CA -0.667 52.387 53.050 0.007 0.000 0.822 908 N CB 1.954 40.453 38.487 0.019 0.000 1.619 908 N HN -0.007 nan 8.380 nan 0.000 0.476 909 I N 0.043 120.576 120.570 -0.062 0.000 2.339 909 I HA 0.128 4.272 4.170 -0.044 0.000 0.245 909 I C 0.309 176.384 176.117 -0.069 0.000 1.096 909 I CA 1.151 62.409 61.300 -0.069 0.000 1.408 909 I CB 0.225 38.157 38.000 -0.114 0.000 1.092 909 I HN 0.420 nan 8.210 nan 0.000 0.423 910 M N 0.213 119.743 119.600 -0.116 0.000 2.265 910 M HA 0.423 4.877 4.480 -0.044 0.000 0.262 910 M C -1.602 174.567 176.300 -0.219 0.000 1.026 910 M CA -0.444 54.761 55.300 -0.159 0.000 0.987 910 M CB 1.691 34.153 32.600 -0.230 0.000 1.937 910 M HN -0.043 nan 8.290 nan 0.000 0.481 911 A N 5.681 128.404 122.820 -0.163 0.000 2.650 911 A HA 0.469 4.762 4.320 -0.044 0.000 0.320 911 A C 0.316 177.747 177.584 -0.255 0.000 1.466 911 A CA -0.437 51.500 52.037 -0.167 0.000 1.099 911 A CB -0.340 18.609 19.000 -0.085 0.000 1.136 911 A HN 1.039 nan 8.150 nan 0.000 0.532 912 L N 0.986 121.912 121.223 -0.494 0.000 2.249 912 L HA 0.114 4.428 4.340 -0.044 0.000 0.207 912 L C -0.273 176.151 176.870 -0.743 0.000 1.090 912 L CA 0.765 55.108 54.840 -0.828 0.000 0.802 912 L CB -0.167 41.062 42.059 -1.384 0.000 0.947 912 L HN 0.712 nan 8.230 nan 0.000 0.453 913 Y N -0.363 119.927 120.300 -0.016 0.000 2.391 913 Y HA 0.595 5.119 4.550 -0.044 0.000 0.341 913 Y C -0.659 175.235 175.900 -0.009 0.000 0.965 913 Y CA -1.119 56.988 58.100 0.011 0.000 1.067 913 Y CB 1.761 40.231 38.460 0.017 0.000 1.199 913 Y HN -0.267 nan 8.280 nan 0.000 0.450 914 L N 4.578 125.893 121.223 0.154 0.000 2.385 914 L HA 0.600 4.914 4.340 -0.044 0.000 0.273 914 L C -0.859 176.073 176.870 0.104 0.000 0.990 914 L CA -1.330 53.552 54.840 0.071 0.000 0.821 914 L CB 1.725 43.802 42.059 0.029 0.000 1.279 914 L HN 0.571 nan 8.230 nan 0.000 0.412 915 K N 1.493 121.944 120.400 0.085 0.000 2.502 915 K HA 0.812 5.106 4.320 -0.044 0.000 0.257 915 K C -0.805 175.876 176.600 0.135 0.000 0.938 915 K CA -0.626 55.736 56.287 0.126 0.000 0.819 915 K CB 2.664 35.248 32.500 0.140 0.000 1.333 915 K HN 0.680 nan 8.250 nan 0.000 0.434 916 T N -1.486 113.182 114.554 0.190 0.000 2.900 916 T HA 0.604 4.928 4.350 -0.044 0.000 0.295 916 T C -0.792 174.058 174.700 0.250 0.000 1.044 916 T CA -0.938 61.326 62.100 0.273 0.000 0.995 916 T CB 2.276 71.405 68.868 0.435 0.000 1.072 916 T HN 0.474 nan 8.240 nan 0.000 0.473 917 K N 1.605 122.183 120.400 0.297 0.000 2.640 917 K HA 0.548 4.842 4.320 -0.044 0.000 0.245 917 K C 0.476 177.247 176.600 0.284 0.000 0.962 917 K CA -0.317 56.105 56.287 0.225 0.000 0.896 917 K CB 0.504 33.104 32.500 0.167 0.000 1.147 917 K HN 1.271 nan 8.250 nan 0.000 0.445 918 G N 4.480 113.361 108.800 0.135 0.000 2.318 918 G HA2 -0.242 3.691 3.960 -0.044 0.000 0.218 918 G HA3 -0.242 3.691 3.960 -0.044 0.000 0.218 918 G C 0.074 175.005 174.900 0.053 0.000 0.329 918 G CA 0.844 45.963 45.100 0.031 0.000 1.034 918 G HN 1.033 nan 8.290 nan 0.000 0.438 919 D N -0.801 119.562 120.400 -0.062 0.000 2.154 919 D HA -0.197 4.417 4.640 -0.044 0.000 0.165 919 D C 0.716 177.097 176.300 0.134 0.000 1.405 919 D CA 2.181 56.206 54.000 0.043 0.000 1.308 919 D CB -1.368 39.304 40.800 -0.213 0.000 1.265 919 D HN 0.607 nan 8.370 nan 0.000 0.498 920 F N 0.563 120.710 119.950 0.328 0.000 2.379 920 F HA 0.581 5.082 4.527 -0.044 0.000 0.332 920 F C 0.843 176.771 175.800 0.213 0.000 1.096 920 F CA -0.499 57.642 58.000 0.235 0.000 1.105 920 F CB 0.901 40.014 39.000 0.188 0.000 1.189 920 F HN -0.228 nan 8.300 nan 0.000 0.515 921 I N 3.690 124.385 120.570 0.208 0.000 2.466 921 I HA 0.268 4.412 4.170 -0.044 0.000 0.289 921 I C -1.298 174.770 176.117 -0.083 0.000 1.026 921 I CA -0.765 60.534 61.300 -0.002 0.000 1.078 921 I CB 1.989 39.829 38.000 -0.266 0.000 1.249 921 I HN 0.334 nan 8.210 nan 0.000 0.429 922 L N 8.366 129.556 121.223 -0.055 0.000 2.264 922 L HA 0.504 4.817 4.340 -0.044 0.000 0.287 922 L C -0.611 176.192 176.870 -0.112 0.000 1.039 922 L CA -0.245 54.519 54.840 -0.127 0.000 0.829 922 L CB 1.076 43.112 42.059 -0.039 0.000 1.211 922 L HN 0.324 nan 8.230 nan 0.000 0.427 923 V N 4.426 124.235 119.914 -0.175 0.000 2.439 923 V HA 0.678 4.772 4.120 -0.044 0.000 0.282 923 V C 0.755 176.805 176.094 -0.074 0.000 1.039 923 V CA -0.368 61.848 62.300 -0.140 0.000 0.913 923 V CB 1.197 32.882 31.823 -0.230 0.000 0.983 923 V HN 0.860 nan 8.190 nan 0.000 0.460 924 G N 2.544 111.363 108.800 0.032 0.000 2.422 924 G HA2 0.526 4.459 3.960 -0.044 0.000 0.317 924 G HA3 0.526 4.459 3.960 -0.044 0.000 0.317 924 G C -1.041 173.912 174.900 0.088 0.000 1.210 924 G CA -0.324 44.862 45.100 0.144 0.000 0.930 924 G HN 0.701 nan 8.290 nan 0.000 0.468 925 D N 1.551 121.957 120.400 0.011 0.000 2.294 925 D HA 0.254 4.868 4.640 -0.044 0.000 0.250 925 D C 1.618 177.868 176.300 -0.084 0.000 1.058 925 D CA -0.678 53.266 54.000 -0.094 0.000 0.950 925 D CB 1.757 42.474 40.800 -0.139 0.000 1.158 925 D HN 0.131 nan 8.370 nan 0.000 0.453 926 L N 2.661 123.778 121.223 -0.178 0.000 2.042 926 L HA -0.115 4.199 4.340 -0.044 0.000 0.210 926 L C 1.602 178.277 176.870 -0.326 0.000 1.076 926 L CA 1.915 56.665 54.840 -0.150 0.000 0.749 926 L CB -0.207 41.749 42.059 -0.172 0.000 0.893 926 L HN 0.739 nan 8.230 nan 0.000 0.432 927 M N -3.950 115.330 119.600 -0.534 0.000 2.198 927 M HA 0.281 4.735 4.480 -0.044 0.000 0.326 927 M C 1.227 177.197 176.300 -0.550 0.000 0.924 927 M CA 0.152 54.882 55.300 -0.950 0.000 1.118 927 M CB 0.410 32.188 32.600 -1.369 0.000 1.947 927 M HN -0.058 nan 8.290 nan 0.000 0.662 928 R N 1.739 122.039 120.500 -0.333 0.000 3.039 928 R HA 0.386 4.699 4.340 -0.044 0.000 0.336 928 R C 0.362 176.550 176.300 -0.188 0.000 1.258 928 R CA 0.384 56.340 56.100 -0.240 0.000 1.125 928 R CB 0.168 30.347 30.300 -0.203 0.000 1.427 928 R HN 0.556 nan 8.270 nan 0.000 0.588 929 S N -1.302 114.316 115.700 -0.138 0.000 4.054 929 S HA -0.251 4.193 4.470 -0.044 0.000 0.618 929 S C -0.064 174.536 174.600 0.000 0.000 2.026 929 S CA 1.214 59.402 58.200 -0.020 0.000 4.205 929 S CB -0.692 62.472 63.200 -0.061 0.000 0.233 929 S HN 0.138 nan 8.310 nan 0.000 0.612 930 V N 1.760 121.667 119.914 -0.011 0.000 2.604 930 V HA 0.736 4.829 4.120 -0.044 0.000 0.305 930 V C -0.124 175.860 176.094 -0.185 0.000 1.043 930 V CA -0.470 61.795 62.300 -0.058 0.000 0.888 930 V CB 1.570 33.399 31.823 0.010 0.000 0.995 930 V HN 0.703 nan 8.190 nan 0.000 0.429 931 L N 4.547 125.635 121.223 -0.225 0.000 2.365 931 L HA 0.641 4.955 4.340 -0.044 0.000 0.273 931 L C -1.279 175.390 176.870 -0.334 0.000 1.000 931 L CA -0.891 53.780 54.840 -0.282 0.000 0.819 931 L CB 1.905 43.805 42.059 -0.265 0.000 1.284 931 L HN 0.562 nan 8.230 nan 0.000 0.418 932 L N 5.323 126.341 121.223 -0.343 0.000 2.265 932 L HA 0.501 4.815 4.340 -0.044 0.000 0.289 932 L C -0.936 175.815 176.870 -0.197 0.000 1.033 932 L CA 0.131 54.769 54.840 -0.338 0.000 0.814 932 L CB 1.055 42.869 42.059 -0.408 0.000 1.203 932 L HN 0.489 nan 8.230 nan 0.000 0.423 933 L N 4.203 125.313 121.223 -0.189 0.000 2.332 933 L HA 0.906 5.220 4.340 -0.044 0.000 0.269 933 L C -0.210 176.671 176.870 0.018 0.000 1.016 933 L CA -0.841 53.896 54.840 -0.171 0.000 0.809 933 L CB 1.847 43.647 42.059 -0.432 0.000 1.280 933 L HN 0.752 nan 8.230 nan 0.000 0.447 934 A N 1.054 123.912 122.820 0.065 0.000 2.449 934 A HA 0.493 4.786 4.320 -0.044 0.000 0.302 934 A C -1.798 175.943 177.584 0.262 0.000 1.048 934 A CA -0.402 51.694 52.037 0.099 0.000 0.708 934 A CB 1.297 20.299 19.000 0.003 0.000 1.274 934 A HN 0.555 nan 8.150 nan 0.000 0.410 935 Y N 2.723 123.145 120.300 0.205 0.000 2.350 935 Y HA 0.496 5.020 4.550 -0.044 0.000 0.340 935 Y C -0.295 175.653 175.900 0.079 0.000 1.006 935 Y CA -0.655 57.583 58.100 0.229 0.000 1.166 935 Y CB 1.001 39.694 38.460 0.389 0.000 1.168 935 Y HN 0.436 nan 8.280 nan 0.000 0.502 936 K N 8.934 129.015 120.400 -0.531 0.000 2.263 936 K HA 0.239 4.533 4.320 -0.044 0.000 0.282 936 K C -2.224 173.915 176.600 -0.769 0.000 1.089 936 K CA -2.259 53.744 56.287 -0.472 0.000 0.907 936 K CB 1.140 33.489 32.500 -0.252 0.000 1.148 936 K HN 0.501 nan 8.250 nan 0.000 0.470 937 P HA -0.050 nan 4.420 nan 0.000 0.217 937 P C 0.993 178.166 177.300 -0.211 0.000 1.150 937 P CA 1.077 63.965 63.100 -0.353 0.000 0.832 937 P CB 0.208 31.859 31.700 -0.081 0.000 0.787 938 M N -1.233 118.263 119.600 -0.173 0.000 2.619 938 M HA 0.019 4.473 4.480 -0.044 0.000 0.251 938 M C 1.225 177.459 176.300 -0.110 0.000 1.106 938 M CA 1.320 56.557 55.300 -0.105 0.000 1.086 938 M CB -0.903 31.651 32.600 -0.076 0.000 1.465 938 M HN 0.090 nan 8.290 nan 0.000 0.506 939 E N -0.505 119.591 120.200 -0.174 0.000 2.421 939 E HA 0.241 4.565 4.350 -0.044 0.000 0.209 939 E C 0.859 177.374 176.600 -0.142 0.000 0.871 939 E CA 0.328 56.644 56.400 -0.140 0.000 1.064 939 E CB 0.610 30.227 29.700 -0.137 0.000 1.075 939 E HN 0.505 nan 8.360 nan 0.000 0.513 940 G N 2.085 110.750 108.800 -0.224 0.000 2.246 940 G HA2 -0.239 3.695 3.960 -0.044 0.000 0.273 940 G HA3 -0.239 3.695 3.960 -0.044 0.000 0.273 940 G C -0.391 174.432 174.900 -0.127 0.000 1.055 940 G CA 0.484 45.532 45.100 -0.087 0.000 0.851 940 G HN 0.140 nan 8.290 nan 0.000 0.500 941 N N -1.312 117.231 118.700 -0.263 0.000 2.405 941 N HA 0.740 5.453 4.740 -0.044 0.000 0.285 941 N C -0.492 174.904 175.510 -0.189 0.000 1.262 941 N CA -0.665 52.257 53.050 -0.214 0.000 0.773 941 N CB 0.925 39.350 38.487 -0.104 0.000 1.490 941 N HN 0.079 nan 8.380 nan 0.000 0.486 942 F N 0.340 120.324 119.950 0.057 0.000 2.404 942 F HA 0.291 4.792 4.527 -0.044 0.000 0.345 942 F C 0.919 176.744 175.800 0.043 0.000 1.110 942 F CA -0.477 57.556 58.000 0.055 0.000 1.130 942 F CB 1.120 40.159 39.000 0.065 0.000 1.129 942 F HN 0.194 nan 8.300 nan 0.000 0.500 943 E N 3.161 123.497 120.200 0.225 0.000 2.133 943 E HA 0.082 4.406 4.350 -0.044 0.000 0.274 943 E C -0.809 175.860 176.600 0.115 0.000 0.930 943 E CA -0.617 55.868 56.400 0.141 0.000 0.770 943 E CB 1.036 30.785 29.700 0.081 0.000 1.104 943 E HN 0.605 nan 8.360 nan 0.000 0.403 944 E N 5.369 125.644 120.200 0.125 0.000 1.985 944 E HA 0.022 4.346 4.350 -0.044 0.000 0.268 944 E C 0.608 177.246 176.600 0.063 0.000 1.219 944 E CA -0.032 56.416 56.400 0.080 0.000 0.942 944 E CB 0.278 30.074 29.700 0.161 0.000 1.045 944 E HN 0.639 nan 8.360 nan 0.000 0.413 945 I N 3.037 123.632 120.570 0.041 0.000 2.141 945 I HA -0.019 4.124 4.170 -0.044 0.000 0.236 945 I C 0.962 177.109 176.117 0.050 0.000 1.071 945 I CA 0.783 62.123 61.300 0.068 0.000 1.345 945 I CB -0.014 38.052 38.000 0.110 0.000 1.066 945 I HN 0.451 nan 8.210 nan 0.000 0.406 946 A N 0.250 123.066 122.820 -0.008 0.000 2.606 946 A HA 0.761 5.055 4.320 -0.044 0.000 0.293 946 A C -0.815 176.686 177.584 -0.138 0.000 1.082 946 A CA -0.614 51.413 52.037 -0.017 0.000 0.685 946 A CB 1.595 20.607 19.000 0.020 0.000 1.284 946 A HN 0.316 nan 8.150 nan 0.000 0.408 947 R N 0.543 120.918 120.500 -0.208 0.000 2.836 947 R HA 0.637 4.951 4.340 -0.044 0.000 0.269 947 R C -1.877 174.170 176.300 -0.422 0.000 1.010 947 R CA -0.579 55.276 56.100 -0.408 0.000 0.930 947 R CB 1.689 31.619 30.300 -0.618 0.000 1.218 947 R HN 0.561 nan 8.270 nan 0.000 0.473 948 D N 1.766 121.956 120.400 -0.349 0.000 2.347 948 D HA 0.159 4.772 4.640 -0.044 0.000 0.235 948 D C -0.372 175.751 176.300 -0.295 0.000 1.149 948 D CA -0.590 53.293 54.000 -0.195 0.000 0.850 948 D CB 0.358 41.127 40.800 -0.052 0.000 1.061 948 D HN 0.526 nan 8.370 nan 0.000 0.487 949 F N 1.938 121.805 119.950 -0.138 0.000 2.811 949 F HA 0.166 4.667 4.527 -0.044 0.000 0.301 949 F C 0.780 176.520 175.800 -0.100 0.000 1.151 949 F CA -0.313 57.604 58.000 -0.139 0.000 1.412 949 F CB -0.296 38.593 39.000 -0.185 0.000 1.113 949 F HN 0.213 nan 8.300 nan 0.000 0.579 950 N N 2.801 121.504 118.700 0.005 0.000 2.475 950 N HA 0.080 4.793 4.740 -0.044 0.000 0.267 950 N C -2.495 172.955 175.510 -0.100 0.000 1.169 950 N CA -1.298 51.718 53.050 -0.057 0.000 0.947 950 N CB 0.305 38.708 38.487 -0.140 0.000 1.061 950 N HN -0.134 nan 8.380 nan 0.000 0.466 951 P HA 0.100 nan 4.420 nan 0.000 0.276 951 P C -1.209 176.026 177.300 -0.109 0.000 1.253 951 P CA 0.014 63.046 63.100 -0.113 0.000 0.766 951 P CB 0.609 32.266 31.700 -0.072 0.000 0.845 952 N N 2.876 121.484 118.700 -0.154 0.000 2.310 952 N HA 0.169 4.883 4.740 -0.044 0.000 0.292 952 N C -1.198 174.274 175.510 -0.062 0.000 1.049 952 N CA -0.318 52.699 53.050 -0.056 0.000 0.849 952 N CB 1.093 39.534 38.487 -0.077 0.000 1.532 952 N HN 0.313 nan 8.380 nan 0.000 0.479 953 W N 2.939 124.240 121.300 0.003 0.000 2.416 953 W HA 0.356 4.991 4.660 -0.043 0.000 0.318 953 W C 0.318 176.860 176.519 0.039 0.000 1.150 953 W CA -0.475 56.881 57.345 0.019 0.000 1.392 953 W CB 0.366 29.825 29.460 -0.001 0.000 1.311 953 W HN 0.144 nan 8.180 nan 0.000 0.436 954 M N 2.693 122.442 119.600 0.247 0.000 2.249 954 M HA 0.159 4.612 4.480 -0.044 0.000 0.351 954 M C 1.188 177.599 176.300 0.184 0.000 1.180 954 M CA -0.033 55.389 55.300 0.202 0.000 1.127 954 M CB 1.332 34.086 32.600 0.257 0.000 1.546 954 M HN 0.543 nan 8.290 nan 0.000 0.461 955 S N 0.558 116.140 115.700 -0.197 0.000 2.575 955 S HA 0.631 5.075 4.470 -0.044 0.000 0.230 955 S C 0.424 174.536 174.600 -0.814 0.000 1.062 955 S CA 0.245 58.220 58.200 -0.374 0.000 0.913 955 S CB 0.589 63.294 63.200 -0.825 0.000 0.837 955 S HN 0.857 nan 8.310 nan 0.000 0.487 956 A N 0.020 122.376 122.820 -0.773 0.000 2.597 956 A HA 0.760 5.054 4.320 -0.044 0.000 0.292 956 A C -1.592 175.888 177.584 -0.173 0.000 1.057 956 A CA -0.518 51.164 52.037 -0.592 0.000 0.674 956 A CB 1.378 20.132 19.000 -0.410 0.000 1.278 956 A HN 0.735 nan 8.150 nan 0.000 0.416 957 V N 0.133 120.054 119.914 0.012 0.000 3.087 957 V HA 0.890 4.984 4.120 -0.044 0.000 0.306 957 V C -1.586 174.492 176.094 -0.027 0.000 1.187 957 V CA -0.263 62.014 62.300 -0.039 0.000 0.999 957 V CB 2.323 34.121 31.823 -0.042 0.000 1.049 957 V HN 1.276 nan 8.190 nan 0.000 0.431 958 E N 2.606 122.681 120.200 -0.209 0.000 2.363 958 E HA 0.513 4.837 4.350 -0.044 0.000 0.281 958 E C -1.652 174.916 176.600 -0.053 0.000 0.953 958 E CA -0.406 55.900 56.400 -0.156 0.000 0.778 958 E CB 1.759 31.212 29.700 -0.412 0.000 1.220 958 E HN 0.587 nan 8.360 nan 0.000 0.431 959 I N 5.913 126.543 120.570 0.101 0.000 2.371 959 I HA 0.182 4.326 4.170 -0.044 0.000 0.290 959 I C 0.896 177.065 176.117 0.087 0.000 1.028 959 I CA -0.199 61.176 61.300 0.126 0.000 1.345 959 I CB 0.741 38.860 38.000 0.198 0.000 1.407 959 I HN 0.582 nan 8.210 nan 0.000 0.501 960 L N 4.473 125.641 121.223 -0.091 0.000 2.200 960 L HA 0.117 4.431 4.340 -0.044 0.000 0.200 960 L C 0.245 177.071 176.870 -0.073 0.000 1.072 960 L CA 0.601 55.410 54.840 -0.052 0.000 0.787 960 L CB -0.183 41.775 42.059 -0.169 0.000 0.957 960 L HN 0.731 nan 8.230 nan 0.000 0.459 961 D N -3.554 116.713 120.400 -0.221 0.000 2.895 961 D HA 0.069 4.682 4.640 -0.044 0.000 0.320 961 D C 0.013 176.108 176.300 -0.342 0.000 1.249 961 D CA -0.609 53.261 54.000 -0.217 0.000 0.997 961 D CB 0.103 40.788 40.800 -0.192 0.000 1.430 961 D HN -0.240 nan 8.370 nan 0.000 0.558 962 D N -0.694 119.531 120.400 -0.291 0.000 2.264 962 D HA -0.078 4.536 4.640 -0.044 0.000 0.208 962 D C 0.213 176.221 176.300 -0.487 0.000 0.966 962 D CA 1.010 54.794 54.000 -0.360 0.000 0.864 962 D CB 0.172 40.811 40.800 -0.267 0.000 0.933 962 D HN 0.391 nan 8.370 nan 0.000 0.499 963 D N 0.055 120.158 120.400 -0.495 0.000 2.407 963 D HA 0.057 4.671 4.640 -0.044 0.000 0.208 963 D C 0.115 175.993 176.300 -0.703 0.000 1.083 963 D CA 0.107 53.836 54.000 -0.453 0.000 0.844 963 D CB 0.651 41.292 40.800 -0.264 0.000 0.967 963 D HN 0.094 nan 8.370 nan 0.000 0.506 964 N N 0.761 118.841 118.700 -1.035 0.000 2.410 964 N HA 0.276 4.990 4.740 -0.044 0.000 0.287 964 N C -1.274 173.651 175.510 -0.975 0.000 1.044 964 N CA -0.321 52.229 53.050 -0.832 0.000 0.881 964 N CB 1.682 39.890 38.487 -0.465 0.000 1.405 964 N HN -0.143 nan 8.380 nan 0.000 0.490 965 F N 1.201 121.056 119.950 -0.158 0.000 2.493 965 F HA 0.449 4.949 4.527 -0.044 0.000 0.329 965 F C 0.270 175.914 175.800 -0.260 0.000 1.126 965 F CA -0.804 57.088 58.000 -0.180 0.000 0.937 965 F CB 1.996 40.912 39.000 -0.140 0.000 1.146 965 F HN 0.103 nan 8.300 nan 0.000 0.442 966 L N 3.032 124.130 121.223 -0.208 0.000 2.275 966 L HA 0.777 5.091 4.340 -0.044 0.000 0.288 966 L C 0.035 176.570 176.870 -0.560 0.000 1.046 966 L CA -0.245 54.337 54.840 -0.431 0.000 0.805 966 L CB 1.105 42.792 42.059 -0.619 0.000 1.193 966 L HN 0.841 nan 8.230 nan 0.000 0.426 967 G N 3.091 111.409 108.800 -0.803 0.000 2.495 967 G HA2 0.716 4.650 3.960 -0.044 0.000 0.318 967 G HA3 0.716 4.650 3.960 -0.044 0.000 0.318 967 G C -1.317 173.253 174.900 -0.550 0.000 1.257 967 G CA -0.380 44.208 45.100 -0.854 0.000 0.962 967 G HN 0.793 nan 8.290 nan 0.000 0.483 968 A N 1.193 123.911 122.820 -0.169 0.000 2.337 968 A HA 0.881 5.175 4.320 -0.044 0.000 0.331 968 A C -0.410 177.109 177.584 -0.108 0.000 1.137 968 A CA -0.654 51.321 52.037 -0.104 0.000 0.807 968 A CB 2.014 20.928 19.000 -0.142 0.000 1.250 968 A HN 0.602 nan 8.150 nan 0.000 0.468 969 E N 0.694 120.814 120.200 -0.132 0.000 2.367 969 E HA 0.145 4.469 4.350 -0.044 0.000 0.273 969 E C -0.400 176.037 176.600 -0.272 0.000 0.903 969 E CA -0.570 55.793 56.400 -0.062 0.000 0.764 969 E CB 1.463 31.254 29.700 0.152 0.000 1.252 969 E HN 0.710 nan 8.360 nan 0.000 0.446 970 N N 1.994 120.595 118.700 -0.166 0.000 2.571 970 N HA -0.040 4.674 4.740 -0.044 0.000 0.189 970 N C 0.173 175.427 175.510 -0.425 0.000 1.154 970 N CA 0.900 53.854 53.050 -0.160 0.000 0.907 970 N CB 0.037 38.582 38.487 0.096 0.000 0.977 970 N HN 0.320 nan 8.380 nan 0.000 0.449 971 A N -0.530 122.007 122.820 -0.471 0.000 2.713 971 A HA 0.460 4.754 4.320 -0.044 0.000 0.296 971 A C -0.326 176.961 177.584 -0.496 0.000 1.255 971 A CA -0.731 50.934 52.037 -0.620 0.000 0.955 971 A CB -0.963 17.855 19.000 -0.303 0.000 1.149 971 A HN 0.237 nan 8.150 nan 0.000 0.538 972 F N -1.770 118.112 119.950 -0.112 0.000 2.884 972 F HA -0.227 4.274 4.527 -0.044 0.000 0.294 972 F C 0.360 175.881 175.800 -0.465 0.000 0.723 972 F CA 0.400 58.241 58.000 -0.265 0.000 1.294 972 F CB -2.111 36.730 39.000 -0.264 0.000 1.551 972 F HN 0.414 nan 8.300 nan 0.000 0.363 973 N N 1.528 120.074 118.700 -0.258 0.000 2.456 973 N HA 0.739 5.452 4.740 -0.044 0.000 0.296 973 N C -0.357 175.120 175.510 -0.055 0.000 1.102 973 N CA -0.518 52.385 53.050 -0.245 0.000 0.924 973 N CB 2.088 40.271 38.487 -0.506 0.000 1.186 973 N HN 0.094 nan 8.380 nan 0.000 0.492 974 L N 1.749 122.964 121.223 -0.014 0.000 2.334 974 L HA 0.606 4.920 4.340 -0.044 0.000 0.273 974 L C -0.708 176.300 176.870 0.230 0.000 1.013 974 L CA -0.970 53.865 54.840 -0.009 0.000 0.816 974 L CB 0.888 42.804 42.059 -0.238 0.000 1.278 974 L HN 0.539 nan 8.230 nan 0.000 0.431 975 F N 0.572 120.589 119.950 0.112 0.000 2.601 975 F HA 0.766 5.266 4.527 -0.044 0.000 0.309 975 F C -1.287 174.622 175.800 0.181 0.000 1.089 975 F CA -1.100 57.008 58.000 0.180 0.000 0.940 975 F CB 1.320 40.388 39.000 0.113 0.000 1.273 975 F HN -0.016 nan 8.300 nan 0.000 0.450 976 V N 2.376 122.471 119.914 0.301 0.000 2.417 976 V HA 0.413 4.507 4.120 -0.044 0.000 0.291 976 V C -0.524 175.640 176.094 0.117 0.000 1.024 976 V CA -0.599 61.746 62.300 0.075 0.000 0.861 976 V CB 1.373 33.155 31.823 -0.068 0.000 0.985 976 V HN 1.077 nan 8.190 nan 0.000 0.436 977 C N 4.536 123.903 119.300 0.112 0.000 2.376 977 C HA 0.620 5.054 4.460 -0.044 0.000 0.335 977 C C 0.135 175.217 174.990 0.154 0.000 1.229 977 C CA -0.503 58.625 59.018 0.184 0.000 1.867 977 C CB 1.096 28.992 27.740 0.260 0.000 2.319 977 C HN 0.878 nan 8.230 nan 0.000 0.515 978 Q N 1.338 121.204 119.800 0.110 0.000 2.413 978 Q HA 0.350 4.664 4.340 -0.044 0.000 0.276 978 Q C -0.798 175.272 176.000 0.117 0.000 1.099 978 Q CA -0.684 55.157 55.803 0.063 0.000 0.814 978 Q CB 1.953 30.667 28.738 -0.040 0.000 1.379 978 Q HN 0.589 nan 8.270 nan 0.000 0.436 979 K N 1.621 122.093 120.400 0.121 0.000 2.368 979 K HA -0.002 4.291 4.320 -0.044 0.000 0.282 979 K C -0.583 176.048 176.600 0.052 0.000 1.035 979 K CA -0.122 56.225 56.287 0.100 0.000 0.973 979 K CB 0.531 33.085 32.500 0.090 0.000 0.957 979 K HN 0.494 nan 8.250 nan 0.000 0.474 980 D N 1.891 122.330 120.400 0.064 0.000 2.401 980 D HA -0.038 4.576 4.640 -0.044 0.000 0.254 980 D C -0.201 176.113 176.300 0.024 0.000 1.192 980 D CA 0.265 54.291 54.000 0.044 0.000 0.885 980 D CB 0.624 41.461 40.800 0.062 0.000 1.147 980 D HN 0.442 nan 8.370 nan 0.000 0.478 981 S N 2.209 117.912 115.700 0.005 0.000 2.704 981 S HA 0.463 4.907 4.470 -0.044 0.000 0.241 981 S C 0.749 175.348 174.600 -0.002 0.000 1.264 981 S CA -0.407 57.792 58.200 -0.001 0.000 1.236 981 S CB 0.881 64.072 63.200 -0.014 0.000 0.928 981 S HN 0.415 nan 8.310 nan 0.000 0.492 982 A N 1.231 124.052 122.820 0.002 0.000 2.070 982 A HA 0.796 5.090 4.320 -0.044 0.000 0.202 982 A C 1.325 178.909 177.584 -0.000 0.000 1.277 982 A CA 0.193 52.228 52.037 -0.003 0.000 0.872 982 A CB -0.699 18.294 19.000 -0.011 0.000 0.933 982 A HN 1.682 nan 8.150 nan 0.000 0.475 983 A N 0.439 123.264 122.820 0.008 0.000 1.999 983 A HA -0.096 4.198 4.320 -0.044 0.000 0.261 983 A C 1.123 178.711 177.584 0.007 0.000 1.316 983 A CA 1.580 53.625 52.037 0.013 0.000 0.752 983 A CB -1.943 17.067 19.000 0.017 0.000 1.166 983 A HN 1.400 nan 8.150 nan 0.000 0.311 984 T N -2.272 112.283 114.554 0.001 0.000 3.330 984 T HA 0.344 4.668 4.350 -0.044 0.000 0.240 984 T C 0.814 175.514 174.700 0.000 0.000 0.988 984 T CA 0.878 62.977 62.100 -0.002 0.000 1.253 984 T CB -0.183 68.679 68.868 -0.010 0.000 1.163 984 T HN 0.899 nan 8.240 nan 0.000 0.382 985 T N 2.841 117.391 114.554 -0.006 0.000 2.909 985 T HA 0.301 4.624 4.350 -0.044 0.000 0.289 985 T C 0.389 175.099 174.700 0.016 0.000 1.005 985 T CA -0.597 61.502 62.100 -0.002 0.000 1.084 985 T CB 1.207 70.065 68.868 -0.018 0.000 0.975 985 T HN 0.166 nan 8.240 nan 0.000 0.509 986 D N 1.619 122.033 120.400 0.023 0.000 2.149 986 D HA -0.160 4.454 4.640 -0.044 0.000 0.198 986 D C 2.009 178.346 176.300 0.061 0.000 0.990 986 D CA 1.533 55.557 54.000 0.040 0.000 0.839 986 D CB 0.017 40.839 40.800 0.036 0.000 0.948 986 D HN 0.895 nan 8.370 nan 0.000 0.460 987 E N 1.079 121.311 120.200 0.053 0.000 2.216 987 E HA -0.089 4.234 4.350 -0.044 0.000 0.192 987 E C 1.804 178.478 176.600 0.124 0.000 0.988 987 E CA 0.704 57.158 56.400 0.089 0.000 0.834 987 E CB -0.257 29.474 29.700 0.052 0.000 0.772 987 E HN 0.193 nan 8.360 nan 0.000 0.479 988 E N 0.763 120.980 120.200 0.028 0.000 2.118 988 E HA -0.156 4.168 4.350 -0.044 0.000 0.195 988 E C 2.177 178.825 176.600 0.080 0.000 0.992 988 E CA 0.979 57.365 56.400 -0.024 0.000 0.804 988 E CB -0.021 29.650 29.700 -0.048 0.000 0.741 988 E HN 0.293 nan 8.360 nan 0.000 0.458 989 R N 0.336 120.893 120.500 0.094 0.000 2.189 989 R HA -0.064 4.249 4.340 -0.044 0.000 0.218 989 R C 1.990 178.383 176.300 0.155 0.000 1.074 989 R CA 0.645 56.810 56.100 0.108 0.000 0.991 989 R CB 0.019 30.367 30.300 0.081 0.000 0.883 989 R HN 0.224 nan 8.270 nan 0.000 0.457 990 Q N -0.198 119.725 119.800 0.206 0.000 2.515 990 Q HA -0.033 4.281 4.340 -0.044 0.000 0.212 990 Q C -0.260 175.910 176.000 0.283 0.000 0.970 990 Q CA 0.512 56.450 55.803 0.224 0.000 0.941 990 Q CB 0.219 29.096 28.738 0.232 0.000 0.998 990 Q HN 0.457 nan 8.270 nan 0.000 0.518 991 H N 0.671 119.845 119.070 0.174 0.000 2.661 991 H HA 0.236 4.766 4.556 -0.044 0.000 0.290 991 H C -0.353 175.048 175.328 0.122 0.000 1.082 991 H CA -0.444 55.731 56.048 0.213 0.000 1.234 991 H CB 0.635 30.483 29.762 0.143 0.000 1.387 991 H HN 0.082 nan 8.280 nan 0.000 0.476 992 L N 3.069 124.373 121.223 0.135 0.000 2.453 992 L HA 0.025 4.339 4.340 -0.044 0.000 0.272 992 L C 0.436 177.376 176.870 0.117 0.000 1.182 992 L CA 0.307 55.204 54.840 0.096 0.000 0.858 992 L CB 0.514 42.588 42.059 0.025 0.000 1.120 992 L HN 0.436 nan 8.230 nan 0.000 0.474 993 Q N 2.145 122.005 119.800 0.100 0.000 2.316 993 Q HA 0.218 4.532 4.340 -0.044 0.000 0.264 993 Q C -1.017 175.017 176.000 0.057 0.000 0.987 993 Q CA -0.405 55.442 55.803 0.073 0.000 0.852 993 Q CB 1.543 30.311 28.738 0.049 0.000 1.287 993 Q HN 0.385 nan 8.270 nan 0.000 0.448 994 E N 2.572 122.793 120.200 0.034 0.000 2.029 994 E HA 0.041 4.365 4.350 -0.044 0.000 0.276 994 E C 0.416 177.017 176.600 0.003 0.000 1.163 994 E CA -0.070 56.353 56.400 0.039 0.000 0.909 994 E CB 0.470 30.133 29.700 -0.061 0.000 1.046 994 E HN 0.554 nan 8.360 nan 0.000 0.406 995 V N 0.599 120.516 119.914 0.004 0.000 3.660 995 V HA 0.347 4.441 4.120 -0.044 0.000 0.276 995 V C 0.681 176.747 176.094 -0.047 0.000 1.317 995 V CA 0.176 62.444 62.300 -0.054 0.000 1.097 995 V CB 0.543 32.291 31.823 -0.125 0.000 0.863 995 V HN 0.423 nan 8.190 nan 0.000 0.438 996 G N 0.712 109.547 108.800 0.060 0.000 2.687 996 G HA2 0.722 4.656 3.960 -0.044 0.000 0.301 996 G HA3 0.722 4.656 3.960 -0.044 0.000 0.301 996 G C -1.523 173.664 174.900 0.478 0.000 1.416 996 G CA -0.656 44.584 45.100 0.234 0.000 1.005 996 G HN 0.228 nan 8.290 nan 0.000 0.509 997 L N 1.435 122.961 121.223 0.505 0.000 2.431 997 L HA 0.759 5.073 4.340 -0.044 0.000 0.266 997 L C -1.407 175.676 176.870 0.355 0.000 0.978 997 L CA -0.872 54.155 54.840 0.311 0.000 0.822 997 L CB 2.712 44.774 42.059 0.005 0.000 1.310 997 L HN 0.529 nan 8.230 nan 0.000 0.409 998 F N 1.023 120.962 119.950 -0.019 0.000 2.652 998 F HA 0.296 4.797 4.527 -0.044 0.000 0.320 998 F C -0.916 174.753 175.800 -0.218 0.000 1.115 998 F CA -0.593 57.246 58.000 -0.268 0.000 1.053 998 F CB 1.323 39.793 39.000 -0.883 0.000 1.297 998 F HN 0.494 nan 8.300 nan 0.000 0.471 999 H N 6.633 125.157 119.070 -0.909 0.000 2.761 999 H HA 0.331 4.860 4.556 -0.044 0.000 0.284 999 H C 0.540 175.231 175.328 -1.060 0.000 1.105 999 H CA 0.108 55.650 56.048 -0.844 0.000 1.352 999 H CB 0.931 30.187 29.762 -0.844 0.000 1.423 999 H HN 0.799 nan 8.280 nan 0.000 0.464 1000 L N 3.898 124.645 121.223 -0.792 0.000 2.072 1000 L HA 0.057 4.371 4.340 -0.044 0.000 0.205 1000 L C 1.381 177.974 176.870 -0.461 0.000 1.079 1000 L CA 1.688 56.273 54.840 -0.424 0.000 0.752 1000 L CB -0.334 41.609 42.059 -0.193 0.000 0.906 1000 L HN 1.041 nan 8.230 nan 0.000 0.436 1001 G N -0.265 108.123 108.800 -0.687 0.000 2.175 1001 G HA2 -0.190 3.744 3.960 -0.044 0.000 0.244 1001 G HA3 -0.190 3.744 3.960 -0.044 0.000 0.244 1001 G C 0.048 174.854 174.900 -0.157 0.000 0.982 1001 G CA 0.134 45.043 45.100 -0.318 0.000 0.641 1001 G HN 0.434 nan 8.290 nan 0.000 0.527 1002 E N -1.120 119.055 120.200 -0.041 0.000 2.336 1002 E HA 0.588 4.912 4.350 -0.044 0.000 0.267 1002 E C -1.322 175.443 176.600 0.274 0.000 0.906 1002 E CA -0.988 55.475 56.400 0.105 0.000 0.781 1002 E CB 1.839 31.618 29.700 0.132 0.000 1.261 1002 E HN 0.140 nan 8.360 nan 0.000 0.436 1003 F N 1.858 121.919 119.950 0.186 0.000 2.334 1003 F HA 0.220 4.721 4.527 -0.043 0.000 0.367 1003 F C -0.430 175.370 175.800 0.002 0.000 1.115 1003 F CA -0.655 57.428 58.000 0.139 0.000 1.116 1003 F CB 0.635 39.750 39.000 0.192 0.000 1.230 1003 F HN 0.050 nan 8.300 nan 0.000 0.484 1004 V N 7.331 127.069 119.914 -0.293 0.000 2.427 1004 V HA 0.052 4.146 4.120 -0.044 0.000 0.268 1004 V C 0.690 176.584 176.094 -0.334 0.000 1.046 1004 V CA -0.163 61.931 62.300 -0.344 0.000 0.970 1004 V CB 0.818 32.212 31.823 -0.715 0.000 1.001 1004 V HN 0.753 nan 8.190 nan 0.000 0.476 1005 N N 2.968 121.601 118.700 -0.112 0.000 2.402 1005 N HA 0.082 4.795 4.740 -0.044 0.000 0.174 1005 N C 0.036 175.475 175.510 -0.118 0.000 1.027 1005 N CA 0.685 53.719 53.050 -0.027 0.000 0.891 1005 N CB 1.285 39.835 38.487 0.104 0.000 1.016 1005 N HN 0.497 nan 8.380 nan 0.000 0.439 1006 V N 0.649 120.446 119.914 -0.196 0.000 2.777 1006 V HA 0.463 4.557 4.120 -0.044 0.000 0.306 1006 V C -1.770 174.168 176.094 -0.260 0.000 1.112 1006 V CA -0.802 61.415 62.300 -0.140 0.000 0.917 1006 V CB 1.381 33.202 31.823 -0.003 0.000 1.018 1006 V HN -0.098 nan 8.190 nan 0.000 0.426 1007 F N 5.691 125.653 119.950 0.019 0.000 2.450 1007 F HA 0.819 5.320 4.527 -0.043 0.000 0.332 1007 F C 0.337 176.156 175.800 0.032 0.000 1.093 1007 F CA -0.248 57.769 58.000 0.028 0.000 1.003 1007 F CB 1.755 40.729 39.000 -0.045 0.000 1.151 1007 F HN 0.868 nan 8.300 nan 0.000 0.474 1008 C N 0.799 120.229 119.300 0.218 0.000 2.985 1008 C HA 0.438 4.872 4.460 -0.044 0.000 0.332 1008 C C -0.907 174.137 174.990 0.091 0.000 1.164 1008 C CA -0.995 58.118 59.018 0.158 0.000 1.347 1008 C CB 0.871 28.707 27.740 0.160 0.000 1.764 1008 C HN 0.821 nan 8.230 nan 0.000 0.489 1009 H N 1.411 120.555 119.070 0.124 0.000 2.848 1009 H HA 0.551 5.081 4.556 -0.044 0.000 0.317 1009 H C 0.752 176.130 175.328 0.083 0.000 1.046 1009 H CA 2.080 58.183 56.048 0.092 0.000 1.470 1009 H CB 1.206 31.009 29.762 0.068 0.000 1.483 1009 H HN 1.291 nan 8.280 nan 0.000 0.548 1010 G N 1.022 109.919 108.800 0.162 0.000 2.313 1010 G HA2 0.265 4.199 3.960 -0.044 0.000 0.296 1010 G HA3 0.265 4.199 3.960 -0.044 0.000 0.296 1010 G C -1.529 173.421 174.900 0.083 0.000 1.356 1010 G CA -0.511 44.659 45.100 0.116 0.000 0.833 1010 G HN 0.572 nan 8.290 nan 0.000 0.552 1011 S N -1.582 114.157 115.700 0.066 0.000 2.556 1011 S HA 0.631 5.075 4.470 -0.044 0.000 0.271 1011 S C 0.220 174.847 174.600 0.045 0.000 1.135 1011 S CA -0.677 57.555 58.200 0.053 0.000 0.858 1011 S CB 1.468 64.695 63.200 0.045 0.000 1.114 1011 S HN 0.695 nan 8.310 nan 0.000 0.468 1012 L N 2.541 123.789 121.223 0.042 0.000 2.728 1012 L HA 0.374 4.687 4.340 -0.044 0.000 0.238 1012 L C -0.444 176.443 176.870 0.027 0.000 1.143 1012 L CA -0.001 54.861 54.840 0.037 0.000 0.937 1012 L CB 0.726 42.808 42.059 0.040 0.000 1.225 1012 L HN 0.327 nan 8.230 nan 0.000 0.507 1013 V N 1.411 121.338 119.914 0.022 0.000 2.432 1013 V HA 0.189 4.283 4.120 -0.044 0.000 0.275 1013 V C 0.943 177.040 176.094 0.004 0.000 1.043 1013 V CA -0.305 61.998 62.300 0.006 0.000 0.925 1013 V CB 1.293 33.115 31.823 -0.003 0.000 0.985 1013 V HN 0.183 nan 8.190 nan 0.000 0.466 1014 M N 3.350 122.949 119.600 -0.002 0.000 2.061 1014 M HA 0.266 4.719 4.480 -0.044 0.000 0.266 1014 M C 0.080 176.376 176.300 -0.006 0.000 1.284 1014 M CA 0.530 55.829 55.300 -0.002 0.000 1.112 1014 M CB 0.320 32.916 32.600 -0.006 0.000 1.365 1014 M HN 0.716 nan 8.290 nan 0.000 0.453 1024 T N -1.767 112.555 114.554 -0.386 0.000 2.742 1024 T HA 0.749 5.072 4.350 -0.044 0.000 0.282 1024 T C -1.067 173.503 174.700 -0.216 0.000 1.025 1024 T CA -0.497 61.395 62.100 -0.347 0.000 1.020 1024 T CB 2.377 71.063 68.868 -0.303 0.000 1.317 1024 T HN 0.159 nan 8.240 nan 0.000 0.538 1025 Q N 0.005 119.708 119.800 -0.161 0.000 2.339 1025 Q HA 0.563 4.877 4.340 -0.044 0.000 0.268 1025 Q C 0.078 176.043 176.000 -0.057 0.000 1.027 1025 Q CA 0.889 56.628 55.803 -0.107 0.000 0.759 1025 Q CB 0.654 29.326 28.738 -0.109 0.000 1.244 1025 Q HN 1.516 nan 8.270 nan 0.000 0.464 1026 G N 1.908 110.690 108.800 -0.030 0.000 2.814 1026 G HA2 -0.045 3.889 3.960 -0.044 0.000 0.677 1026 G HA3 -0.045 3.889 3.960 -0.044 0.000 0.677 1026 G C -0.788 174.134 174.900 0.037 0.000 1.429 1026 G CA -0.262 44.850 45.100 0.019 0.000 0.868 1026 G HN 0.946 nan 8.290 nan 0.000 0.553 1027 S N -0.847 114.901 115.700 0.080 0.000 2.680 1027 S HA 0.543 4.987 4.470 -0.044 0.000 0.262 1027 S C -0.573 174.062 174.600 0.057 0.000 1.138 1027 S CA -0.086 58.157 58.200 0.071 0.000 1.072 1027 S CB 1.160 64.400 63.200 0.067 0.000 1.097 1027 S HN 1.509 nan 8.310 nan 0.000 0.468 1028 V N 6.546 126.470 119.914 0.017 0.000 2.357 1028 V HA 0.514 4.607 4.120 -0.044 0.000 0.284 1028 V C -0.049 176.124 176.094 0.132 0.000 1.018 1028 V CA -0.612 61.667 62.300 -0.035 0.000 0.841 1028 V CB 1.363 33.087 31.823 -0.166 0.000 0.991 1028 V HN 0.765 nan 8.190 nan 0.000 0.437 1029 L N 5.563 126.856 121.223 0.117 0.000 2.379 1029 L HA 0.704 5.018 4.340 -0.044 0.000 0.269 1029 L C -0.497 176.490 176.870 0.194 0.000 1.084 1029 L CA -0.445 54.441 54.840 0.077 0.000 0.802 1029 L CB 1.298 43.364 42.059 0.011 0.000 1.175 1029 L HN 0.733 nan 8.230 nan 0.000 0.448 1030 F N -0.755 119.201 119.950 0.010 0.000 2.591 1030 F HA 0.831 5.331 4.527 -0.044 0.000 0.309 1030 F C -0.210 175.514 175.800 -0.127 0.000 1.098 1030 F CA -0.849 57.066 58.000 -0.140 0.000 0.937 1030 F CB 1.265 40.058 39.000 -0.345 0.000 1.250 1030 F HN 0.374 nan 8.300 nan 0.000 0.447 1031 G N 0.529 109.346 108.800 0.028 0.000 2.432 1031 G HA2 0.661 4.595 3.960 -0.044 0.000 0.331 1031 G HA3 0.661 4.595 3.960 -0.044 0.000 0.331 1031 G C -1.177 173.765 174.900 0.070 0.000 1.170 1031 G CA -0.537 44.568 45.100 0.008 0.000 0.943 1031 G HN 1.076 nan 8.290 nan 0.000 0.483 1032 T N -2.263 112.340 114.554 0.080 0.000 2.887 1032 T HA 0.408 4.731 4.350 -0.044 0.000 0.292 1032 T C 1.112 175.877 174.700 0.109 0.000 1.087 1032 T CA -0.399 61.778 62.100 0.129 0.000 1.009 1032 T CB 1.383 70.354 68.868 0.171 0.000 1.203 1032 T HN 0.264 nan 8.240 nan 0.000 0.518 1033 V N 1.361 121.367 119.914 0.153 0.000 2.392 1033 V HA -0.148 3.946 4.120 -0.044 0.000 0.249 1033 V C 2.246 178.367 176.094 0.045 0.000 1.059 1033 V CA 2.205 64.553 62.300 0.081 0.000 1.051 1033 V CB -1.170 30.685 31.823 0.054 0.000 0.658 1033 V HN 0.887 nan 8.190 nan 0.000 0.455 1034 N N -0.408 118.326 118.700 0.057 0.000 2.461 1034 N HA 0.187 4.900 4.740 -0.044 0.000 0.188 1034 N C 1.347 176.870 175.510 0.023 0.000 1.134 1034 N CA 0.613 53.682 53.050 0.031 0.000 0.878 1034 N CB 0.454 38.957 38.487 0.027 0.000 0.972 1034 N HN 0.579 nan 8.380 nan 0.000 0.456 1035 G N 0.565 109.379 108.800 0.024 0.000 2.175 1035 G HA2 -0.285 3.648 3.960 -0.044 0.000 0.244 1035 G HA3 -0.285 3.648 3.960 -0.044 0.000 0.244 1035 G C 0.191 175.089 174.900 -0.004 0.000 0.982 1035 G CA -0.221 44.882 45.100 0.004 0.000 0.641 1035 G HN 0.239 nan 8.290 nan 0.000 0.527 1036 M N 1.423 121.030 119.600 0.012 0.000 2.239 1036 M HA 0.490 4.944 4.480 -0.044 0.000 0.348 1036 M C -0.033 176.227 176.300 -0.067 0.000 1.239 1036 M CA 0.367 55.663 55.300 -0.007 0.000 1.114 1036 M CB 0.022 32.646 32.600 0.040 0.000 1.641 1036 M HN 0.220 nan 8.290 nan 0.000 0.453 1037 I N 4.381 124.865 120.570 -0.144 0.000 2.378 1037 I HA 0.533 4.677 4.170 -0.044 0.000 0.291 1037 I C 0.535 176.364 176.117 -0.481 0.000 0.992 1037 I CA -0.561 60.565 61.300 -0.290 0.000 1.154 1037 I CB 1.827 39.713 38.000 -0.189 0.000 1.315 1037 I HN 0.782 nan 8.210 nan 0.000 0.448 1038 G N 5.383 113.526 108.800 -1.095 0.000 2.788 1038 G HA2 0.786 4.720 3.960 -0.044 0.000 0.293 1038 G HA3 0.786 4.720 3.960 -0.044 0.000 0.293 1038 G C -1.805 172.530 174.900 -0.942 0.000 1.305 1038 G CA -0.549 43.850 45.100 -1.168 0.000 1.005 1038 G HN 0.428 nan 8.290 nan 0.000 0.496 1039 L N 0.026 121.075 121.223 -0.289 0.000 2.464 1039 L HA 0.728 5.042 4.340 -0.044 0.000 0.266 1039 L C -1.099 175.920 176.870 0.249 0.000 0.965 1039 L CA -0.665 54.193 54.840 0.030 0.000 0.833 1039 L CB 2.184 44.261 42.059 0.031 0.000 1.296 1039 L HN 0.376 nan 8.230 nan 0.000 0.405 1040 V N 3.488 123.581 119.914 0.298 0.000 2.483 1040 V HA 0.835 4.929 4.120 -0.044 0.000 0.295 1040 V C 0.050 176.234 176.094 0.150 0.000 1.035 1040 V CA -0.274 62.170 62.300 0.240 0.000 0.896 1040 V CB 1.580 33.528 31.823 0.207 0.000 0.986 1040 V HN 0.907 nan 8.190 nan 0.000 0.447 1041 T N 2.488 117.133 114.554 0.152 0.000 2.894 1041 T HA 0.470 4.794 4.350 -0.044 0.000 0.309 1041 T C -0.443 174.280 174.700 0.039 0.000 1.208 1041 T CA -0.270 61.878 62.100 0.080 0.000 1.016 1041 T CB 1.897 70.809 68.868 0.073 0.000 1.192 1041 T HN 0.656 nan 8.240 nan 0.000 0.491 1042 S N 2.002 117.686 115.700 -0.026 0.000 2.632 1042 S HA 0.778 5.222 4.470 -0.044 0.000 0.271 1042 S C -0.699 173.870 174.600 -0.051 0.000 1.260 1042 S CA -0.618 57.553 58.200 -0.048 0.000 1.010 1042 S CB 0.389 63.542 63.200 -0.077 0.000 0.965 1042 S HN 0.535 nan 8.310 nan 0.000 0.534 1043 L N 1.386 122.611 121.223 0.004 0.000 2.409 1043 L HA 0.459 4.772 4.340 -0.044 0.000 0.262 1043 L C 0.097 177.015 176.870 0.081 0.000 0.992 1043 L CA -0.826 54.026 54.840 0.020 0.000 0.817 1043 L CB 2.243 44.390 42.059 0.147 0.000 1.350 1043 L HN 0.729 nan 8.230 nan 0.000 0.411 1044 S N -0.488 115.236 115.700 0.039 0.000 2.572 1044 S HA 0.048 4.492 4.470 -0.044 0.000 0.279 1044 S C 0.903 175.562 174.600 0.098 0.000 1.341 1044 S CA -0.284 57.971 58.200 0.091 0.000 1.043 1044 S CB 1.275 64.525 63.200 0.084 0.000 0.887 1044 S HN 0.842 nan 8.310 nan 0.000 0.516 1045 E N 1.492 121.719 120.200 0.046 0.000 2.147 1045 E HA -0.253 4.071 4.350 -0.044 0.000 0.199 1045 E C 2.013 178.535 176.600 -0.129 0.000 1.005 1045 E CA 1.568 57.829 56.400 -0.232 0.000 0.810 1045 E CB -0.313 29.368 29.700 -0.031 0.000 0.736 1045 E HN 0.812 nan 8.360 nan 0.000 0.460 1046 S N -0.640 115.075 115.700 0.026 0.000 2.356 1046 S HA -0.170 4.274 4.470 -0.044 0.000 0.223 1046 S C 1.604 176.234 174.600 0.049 0.000 1.032 1046 S CA 1.316 59.540 58.200 0.041 0.000 1.005 1046 S CB -0.497 62.756 63.200 0.089 0.000 0.867 1046 S HN 0.521 nan 8.310 nan 0.000 0.449 1047 W N 0.673 121.936 121.300 -0.062 0.000 2.436 1047 W HA 0.093 4.727 4.660 -0.044 0.000 0.284 1047 W C 2.276 178.767 176.519 -0.046 0.000 1.225 1047 W CA 0.597 57.908 57.345 -0.057 0.000 1.271 1047 W CB -0.951 28.478 29.460 -0.053 0.000 1.114 1047 W HN 0.542 nan 8.180 nan 0.000 0.559 1048 Y N 1.621 121.934 120.300 0.021 0.000 2.224 1048 Y HA -0.272 4.252 4.550 -0.044 0.000 0.289 1048 Y C 1.991 177.830 175.900 -0.102 0.000 1.146 1048 Y CA 2.016 60.069 58.100 -0.079 0.000 1.182 1048 Y CB -0.538 37.714 38.460 -0.347 0.000 0.983 1048 Y HN -0.150 nan 8.280 nan 0.000 0.524 1049 N N 0.056 118.706 118.700 -0.083 0.000 2.300 1049 N HA -0.129 4.585 4.740 -0.044 0.000 0.179 1049 N C 1.857 177.268 175.510 -0.166 0.000 1.016 1049 N CA 0.786 53.756 53.050 -0.133 0.000 0.876 1049 N CB -0.408 38.043 38.487 -0.059 0.000 0.979 1049 N HN 0.324 nan 8.380 nan 0.000 0.432 1050 L N 1.447 122.566 121.223 -0.173 0.000 1.994 1050 L HA -0.026 4.288 4.340 -0.044 0.000 0.208 1050 L C 1.926 178.683 176.870 -0.188 0.000 1.071 1050 L CA 1.444 56.158 54.840 -0.210 0.000 0.745 1050 L CB -1.024 40.842 42.059 -0.322 0.000 0.892 1050 L HN 0.113 nan 8.230 nan 0.000 0.431 1051 L N -1.511 119.613 121.223 -0.164 0.000 2.179 1051 L HA -0.164 4.150 4.340 -0.044 0.000 0.208 1051 L C 2.537 179.310 176.870 -0.163 0.000 1.096 1051 L CA 0.345 55.113 54.840 -0.119 0.000 0.779 1051 L CB -0.321 41.740 42.059 0.003 0.000 0.922 1051 L HN 0.256 nan 8.230 nan 0.000 0.443 1052 L N 0.134 121.178 121.223 -0.298 0.000 2.046 1052 L HA -0.257 4.057 4.340 -0.044 0.000 0.208 1052 L C 2.216 178.995 176.870 -0.151 0.000 1.077 1052 L CA 1.753 56.415 54.840 -0.296 0.000 0.747 1052 L CB -0.194 41.577 42.059 -0.481 0.000 0.896 1052 L HN 0.338 nan 8.230 nan 0.000 0.432 1053 D N -0.307 120.009 120.400 -0.140 0.000 2.117 1053 D HA -0.240 4.374 4.640 -0.044 0.000 0.198 1053 D C 2.293 178.545 176.300 -0.078 0.000 0.982 1053 D CA 1.366 55.312 54.000 -0.090 0.000 0.828 1053 D CB 0.009 40.755 40.800 -0.090 0.000 0.967 1053 D HN 0.203 nan 8.370 nan 0.000 0.464 1054 M N -0.142 119.397 119.600 -0.102 0.000 2.149 1054 M HA -0.192 4.261 4.480 -0.044 0.000 0.261 1054 M C 2.229 178.496 176.300 -0.055 0.000 1.064 1054 M CA 1.344 56.588 55.300 -0.094 0.000 1.102 1054 M CB -0.058 32.457 32.600 -0.142 0.000 1.369 1054 M HN 0.132 nan 8.290 nan 0.000 0.408 1055 Q N 0.005 119.769 119.800 -0.061 0.000 2.020 1055 Q HA -0.197 4.116 4.340 -0.044 0.000 0.202 1055 Q C 1.566 177.535 176.000 -0.051 0.000 0.982 1055 Q CA 1.972 57.737 55.803 -0.063 0.000 0.838 1055 Q CB -0.339 28.364 28.738 -0.058 0.000 0.899 1055 Q HN 0.662 nan 8.270 nan 0.000 0.423 1056 N N 0.070 118.755 118.700 -0.026 0.000 2.223 1056 N HA -0.131 4.583 4.740 -0.044 0.000 0.185 1056 N C 1.716 177.232 175.510 0.010 0.000 1.016 1056 N CA 0.796 53.848 53.050 0.003 0.000 0.863 1056 N CB -0.018 38.476 38.487 0.011 0.000 0.983 1056 N HN 0.102 nan 8.380 nan 0.000 0.429 1057 R N 0.577 121.080 120.500 0.004 0.000 2.066 1057 R HA 0.016 4.330 4.340 -0.044 0.000 0.232 1057 R C 2.015 178.341 176.300 0.043 0.000 1.131 1057 R CA 0.930 57.043 56.100 0.022 0.000 0.955 1057 R CB -0.395 29.915 30.300 0.016 0.000 0.851 1057 R HN 0.182 nan 8.270 nan 0.000 0.432 1058 L N 0.931 122.182 121.223 0.047 0.000 2.131 1058 L HA -0.184 4.130 4.340 -0.044 0.000 0.210 1058 L C 1.797 178.702 176.870 0.058 0.000 1.092 1058 L CA 0.972 55.856 54.840 0.074 0.000 0.759 1058 L CB -0.375 41.734 42.059 0.085 0.000 0.903 1058 L HN 0.230 nan 8.230 nan 0.000 0.435 1059 N N 0.037 118.755 118.700 0.029 0.000 2.309 1059 N HA -0.151 4.562 4.740 -0.044 0.000 0.182 1059 N C 1.683 177.239 175.510 0.076 0.000 1.018 1059 N CA 1.045 54.129 53.050 0.056 0.000 0.876 1059 N CB -0.015 38.495 38.487 0.037 0.000 0.972 1059 N HN 0.333 nan 8.380 nan 0.000 0.434 1060 K N 0.027 120.462 120.400 0.057 0.000 2.366 1060 K HA 0.079 4.373 4.320 -0.044 0.000 0.198 1060 K C 1.551 178.178 176.600 0.045 0.000 1.044 1060 K CA 0.246 56.564 56.287 0.051 0.000 0.973 1060 K CB 0.483 33.008 32.500 0.041 0.000 0.767 1060 K HN -0.044 nan 8.250 nan 0.000 0.475 1061 V N 0.650 120.593 119.914 0.049 0.000 2.806 1061 V HA 0.090 4.184 4.120 -0.044 0.000 0.239 1061 V C 0.913 177.027 176.094 0.034 0.000 1.113 1061 V CA 0.109 62.432 62.300 0.038 0.000 1.137 1061 V CB 0.238 32.086 31.823 0.041 0.000 0.865 1061 V HN 0.127 nan 8.190 nan 0.000 0.482 1062 I N 2.010 122.612 120.570 0.053 0.000 2.598 1062 I HA 0.032 4.176 4.170 -0.044 0.000 0.284 1062 I C 0.400 176.537 176.117 0.033 0.000 1.140 1062 I CA 0.323 61.652 61.300 0.047 0.000 1.420 1062 I CB 0.323 38.373 38.000 0.084 0.000 1.387 1062 I HN 0.203 nan 8.210 nan 0.000 0.553 1063 K N 4.869 125.263 120.400 -0.011 0.000 2.402 1063 K HA 0.074 4.367 4.320 -0.044 0.000 0.285 1063 K C 0.148 176.697 176.600 -0.084 0.000 1.054 1063 K CA 0.017 56.279 56.287 -0.041 0.000 1.001 1063 K CB 0.585 33.050 32.500 -0.058 0.000 0.946 1063 K HN 0.520 nan 8.250 nan 0.000 0.473 1064 S N 3.369 119.019 115.700 -0.084 0.000 2.410 1064 S HA 0.142 4.586 4.470 -0.044 0.000 0.304 1064 S C 0.092 174.579 174.600 -0.187 0.000 1.095 1064 S CA -0.912 57.184 58.200 -0.175 0.000 1.089 1064 S CB 0.456 63.646 63.200 -0.016 0.000 0.968 1064 S HN 0.312 nan 8.310 nan 0.000 0.480 1065 V N 5.412 125.184 119.914 -0.237 0.000 2.584 1065 V HA 0.264 4.358 4.120 -0.044 0.000 0.303 1065 V C 1.782 177.775 176.094 -0.168 0.000 1.035 1065 V CA 1.435 63.625 62.300 -0.183 0.000 1.172 1065 V CB -0.157 31.554 31.823 -0.187 0.000 0.896 1065 V HN 1.380 nan 8.190 nan 0.000 0.486 1066 G N 3.820 112.541 108.800 -0.131 0.000 2.162 1066 G HA2 -0.326 3.607 3.960 -0.044 0.000 0.260 1066 G HA3 -0.326 3.607 3.960 -0.044 0.000 0.260 1066 G C 0.448 175.258 174.900 -0.150 0.000 0.976 1066 G CA 0.276 45.311 45.100 -0.107 0.000 0.655 1066 G HN 0.927 nan 8.290 nan 0.000 0.533 1067 K N -1.260 119.020 120.400 -0.200 0.000 3.077 1067 K HA -0.206 4.088 4.320 -0.044 0.000 0.264 1067 K C 0.415 176.973 176.600 -0.071 0.000 1.008 1067 K CA 1.233 57.381 56.287 -0.231 0.000 0.740 1067 K CB -1.524 30.611 32.500 -0.608 0.000 1.273 1067 K HN 0.653 nan 8.250 nan 0.000 0.477 1068 I N 1.157 121.729 120.570 0.003 0.000 2.342 1068 I HA 0.065 4.209 4.170 -0.044 0.000 0.291 1068 I C 0.800 177.058 176.117 0.236 0.000 1.010 1068 I CA -0.678 60.673 61.300 0.085 0.000 1.308 1068 I CB 1.004 39.052 38.000 0.080 0.000 1.400 1068 I HN 0.032 nan 8.210 nan 0.000 0.488 1069 E N 5.002 125.323 120.200 0.202 0.000 2.366 1069 E HA -0.059 4.265 4.350 -0.044 0.000 0.266 1069 E C 1.108 177.897 176.600 0.315 0.000 1.015 1069 E CA 0.405 56.959 56.400 0.257 0.000 0.906 1069 E CB 0.333 30.154 29.700 0.203 0.000 0.979 1069 E HN 0.417 nan 8.360 nan 0.000 0.443 1070 H N 3.068 122.215 119.070 0.128 0.000 2.353 1070 H HA -0.145 4.384 4.556 -0.044 0.000 0.298 1070 H C 1.346 176.686 175.328 0.020 0.000 1.103 1070 H CA 2.114 58.064 56.048 -0.163 0.000 1.293 1070 H CB 0.380 29.956 29.762 -0.309 0.000 1.372 1070 H HN 0.453 nan 8.280 nan 0.000 0.501 1071 S N 0.204 116.005 115.700 0.168 0.000 2.365 1071 S HA -0.189 4.255 4.470 -0.044 0.000 0.225 1071 S C 1.925 176.562 174.600 0.061 0.000 1.039 1071 S CA 1.476 59.745 58.200 0.116 0.000 1.033 1071 S CB -0.671 62.630 63.200 0.168 0.000 0.887 1071 S HN 0.495 nan 8.310 nan 0.000 0.447 1072 F N 1.535 121.495 119.950 0.018 0.000 2.075 1072 F HA -0.145 4.355 4.527 -0.044 0.000 0.297 1072 F C 2.168 177.954 175.800 -0.022 0.000 1.113 1072 F CA 1.829 59.837 58.000 0.013 0.000 1.218 1072 F CB -0.514 38.520 39.000 0.058 0.000 0.984 1072 F HN 0.418 nan 8.300 nan 0.000 0.472 1073 W N 1.687 122.957 121.300 -0.050 0.000 2.317 1073 W HA -0.243 4.391 4.660 -0.043 0.000 0.318 1073 W C 1.610 177.896 176.519 -0.389 0.000 1.227 1073 W CA 1.233 58.461 57.345 -0.197 0.000 1.269 1073 W CB -0.325 29.058 29.460 -0.128 0.000 1.155 1073 W HN -0.100 nan 8.180 nan 0.000 0.484 1074 R N 1.088 121.121 120.500 -0.777 0.000 2.313 1074 R HA 0.085 4.399 4.340 -0.044 0.000 0.199 1074 R C 0.610 176.546 176.300 -0.607 0.000 0.958 1074 R CA 0.230 55.720 56.100 -1.016 0.000 1.047 1074 R CB -0.820 28.926 30.300 -0.923 0.000 0.955 1074 R HN -0.063 nan 8.270 nan 0.000 0.481 1075 S N 1.496 116.939 115.700 -0.428 0.000 2.533 1075 S HA 0.052 4.496 4.470 -0.044 0.000 0.282 1075 S C -0.178 174.309 174.600 -0.189 0.000 1.304 1075 S CA -0.473 57.584 58.200 -0.240 0.000 1.063 1075 S CB 0.176 63.230 63.200 -0.244 0.000 0.881 1075 S HN 0.202 nan 8.310 nan 0.000 0.493 1076 F N 4.445 124.308 119.950 -0.145 0.000 2.571 1076 F HA 0.091 4.592 4.527 -0.043 0.000 0.390 1076 F C 0.395 176.178 175.800 -0.028 0.000 1.043 1076 F CA 0.544 58.507 58.000 -0.062 0.000 1.164 1076 F CB 0.121 39.109 39.000 -0.021 0.000 1.049 1076 F HN 0.661 nan 8.300 nan 0.000 0.552 1077 H N 4.224 123.037 119.070 -0.429 0.000 3.172 1077 H HA 0.361 4.891 4.556 -0.044 0.000 0.322 1077 H C -0.590 174.546 175.328 -0.320 0.000 1.003 1077 H CA -0.199 55.671 56.048 -0.297 0.000 1.466 1077 H CB 0.884 30.443 29.762 -0.339 0.000 1.673 1077 H HN 0.674 nan 8.280 nan 0.000 0.512 1078 T N -0.011 114.202 114.554 -0.567 0.000 2.804 1078 T HA 0.219 4.543 4.350 -0.044 0.000 0.272 1078 T C 1.178 175.623 174.700 -0.425 0.000 0.986 1078 T CA -0.558 61.287 62.100 -0.425 0.000 0.999 1078 T CB 1.362 70.097 68.868 -0.222 0.000 1.307 1078 T HN 0.629 nan 8.240 nan 0.000 0.586 1079 E N -0.015 120.062 120.200 -0.205 0.000 2.130 1079 E HA -0.179 4.145 4.350 -0.044 0.000 0.196 1079 E C 1.956 178.505 176.600 -0.085 0.000 0.998 1079 E CA 1.263 57.594 56.400 -0.116 0.000 0.806 1079 E CB 0.087 29.765 29.700 -0.037 0.000 0.738 1079 E HN 0.478 nan 8.360 nan 0.000 0.459 1080 R N 0.646 121.113 120.500 -0.055 0.000 1.909 1080 R HA 0.100 4.414 4.340 -0.044 0.000 0.181 1080 R C 0.783 177.073 176.300 -0.016 0.000 1.604 1080 R CA 0.412 56.504 56.100 -0.013 0.000 1.298 1080 R CB -0.533 29.781 30.300 0.023 0.000 0.937 1080 R HN -0.000 nan 8.270 nan 0.000 0.490 1081 K N 1.814 122.231 120.400 0.028 0.000 2.237 1081 K HA 0.201 4.495 4.320 -0.044 0.000 0.270 1081 K C -0.935 175.717 176.600 0.087 0.000 1.015 1081 K CA 0.018 56.345 56.287 0.066 0.000 0.949 1081 K CB 1.189 33.741 32.500 0.087 0.000 0.976 1081 K HN -0.025 nan 8.250 nan 0.000 0.472 1082 T N 2.430 117.050 114.554 0.109 0.000 2.809 1082 T HA 0.310 4.634 4.350 -0.044 0.000 0.284 1082 T C -1.072 173.703 174.700 0.126 0.000 0.992 1082 T CA -0.820 61.372 62.100 0.154 0.000 0.957 1082 T CB 1.050 70.040 68.868 0.204 0.000 0.942 1082 T HN 0.568 nan 8.240 nan 0.000 0.439 1083 E N 2.715 123.002 120.200 0.145 0.000 2.366 1083 E HA 0.387 4.711 4.350 -0.044 0.000 0.278 1083 E C -2.813 173.845 176.600 0.096 0.000 0.923 1083 E CA -2.193 54.270 56.400 0.106 0.000 0.761 1083 E CB 2.855 32.602 29.700 0.079 0.000 1.231 1083 E HN 0.279 nan 8.360 nan 0.000 0.443 1084 P HA 0.123 nan 4.420 nan 0.000 0.274 1084 P C -0.913 176.459 177.300 0.120 0.000 1.246 1084 P CA -0.306 62.842 63.100 0.080 0.000 0.795 1084 P CB 0.443 32.198 31.700 0.091 0.000 1.006 1085 A N 1.422 124.326 122.820 0.140 0.000 2.425 1085 A HA 0.557 4.851 4.320 -0.044 0.000 0.249 1085 A C 0.137 177.900 177.584 0.298 0.000 1.084 1085 A CA 0.355 52.543 52.037 0.251 0.000 0.781 1085 A CB -0.630 18.562 19.000 0.320 0.000 1.019 1085 A HN 0.612 nan 8.150 nan 0.000 0.490 1086 T N -1.058 113.707 114.554 0.353 0.000 2.916 1086 T HA 0.621 4.945 4.350 -0.044 0.000 0.305 1086 T C 0.629 175.545 174.700 0.360 0.000 1.119 1086 T CA 0.025 62.326 62.100 0.335 0.000 1.008 1086 T CB 1.397 70.385 68.868 0.200 0.000 1.129 1086 T HN 2.339 nan 8.240 nan 0.000 0.480 1087 G N 0.662 109.634 108.800 0.287 0.000 2.162 1087 G HA2 -0.207 3.727 3.960 -0.044 0.000 0.260 1087 G HA3 -0.207 3.727 3.960 -0.044 0.000 0.260 1087 G C -0.246 174.566 174.900 -0.145 0.000 0.976 1087 G CA -0.037 45.028 45.100 -0.058 0.000 0.655 1087 G HN 0.753 nan 8.290 nan 0.000 0.533 1088 F N -0.362 119.766 119.950 0.297 0.000 2.536 1088 F HA 0.645 5.146 4.527 -0.043 0.000 0.322 1088 F C 0.301 176.142 175.800 0.067 0.000 1.144 1088 F CA -1.016 57.013 58.000 0.049 0.000 0.924 1088 F CB 1.639 40.470 39.000 -0.282 0.000 1.181 1088 F HN -0.042 nan 8.300 nan 0.000 0.438 1089 I N 2.951 123.630 120.570 0.181 0.000 2.331 1089 I HA 0.149 4.293 4.170 -0.044 0.000 0.292 1089 I C -0.185 175.861 176.117 -0.119 0.000 0.998 1089 I CA -0.401 60.954 61.300 0.092 0.000 1.267 1089 I CB 0.892 39.009 38.000 0.195 0.000 1.386 1089 I HN 0.441 nan 8.210 nan 0.000 0.476 1090 D N 5.667 126.083 120.400 0.027 0.000 2.383 1090 D HA 0.082 4.696 4.640 -0.044 0.000 0.245 1090 D C 1.242 177.504 176.300 -0.063 0.000 1.263 1090 D CA 0.104 54.151 54.000 0.079 0.000 0.936 1090 D CB 1.247 42.318 40.800 0.451 0.000 1.053 1090 D HN 0.704 nan 8.370 nan 0.000 0.507 1091 G N 3.518 112.095 108.800 -0.371 0.000 2.432 1091 G HA2 -0.266 3.668 3.960 -0.044 0.000 0.219 1091 G HA3 -0.266 3.668 3.960 -0.044 0.000 0.219 1091 G C 1.200 176.094 174.900 -0.009 0.000 1.135 1091 G CA 0.293 45.144 45.100 -0.415 0.000 0.767 1091 G HN 0.447 nan 8.290 nan 0.000 0.550 1092 D N 0.145 120.578 120.400 0.054 0.000 2.144 1092 D HA -0.068 4.546 4.640 -0.044 0.000 0.199 1092 D C 2.376 178.788 176.300 0.187 0.000 0.984 1092 D CA 0.211 54.296 54.000 0.143 0.000 0.834 1092 D CB -0.181 40.734 40.800 0.191 0.000 0.955 1092 D HN 0.269 nan 8.370 nan 0.000 0.465 1093 L N 0.340 121.683 121.223 0.200 0.000 2.027 1093 L HA -0.100 4.214 4.340 -0.044 0.000 0.206 1093 L C 2.325 179.282 176.870 0.146 0.000 1.074 1093 L CA 0.927 55.870 54.840 0.172 0.000 0.745 1093 L CB -0.158 41.936 42.059 0.058 0.000 0.898 1093 L HN -0.023 nan 8.230 nan 0.000 0.433 1094 I N -0.170 120.480 120.570 0.134 0.000 2.315 1094 I HA -0.297 3.847 4.170 -0.044 0.000 0.248 1094 I C 2.402 178.646 176.117 0.212 0.000 1.117 1094 I CA 1.165 62.558 61.300 0.154 0.000 1.404 1094 I CB -0.059 38.039 38.000 0.165 0.000 1.071 1094 I HN 0.314 nan 8.210 nan 0.000 0.419 1095 E N 0.064 120.393 120.200 0.215 0.000 2.150 1095 E HA -0.192 4.132 4.350 -0.044 0.000 0.193 1095 E C 2.127 178.855 176.600 0.213 0.000 0.985 1095 E CA 1.482 58.017 56.400 0.226 0.000 0.814 1095 E CB -0.036 29.795 29.700 0.218 0.000 0.752 1095 E HN 0.502 nan 8.360 nan 0.000 0.466 1096 S N 0.269 116.084 115.700 0.192 0.000 2.603 1096 S HA -0.115 4.329 4.470 -0.044 0.000 0.229 1096 S C 1.641 176.332 174.600 0.152 0.000 0.972 1096 S CA 0.030 58.320 58.200 0.150 0.000 0.935 1096 S CB -0.468 62.812 63.200 0.133 0.000 0.769 1096 S HN 0.317 nan 8.310 nan 0.000 0.536 1097 F N 2.593 122.579 119.950 0.060 0.000 2.161 1097 F HA -0.018 4.483 4.527 -0.044 0.000 0.300 1097 F C 1.664 177.483 175.800 0.032 0.000 1.089 1097 F CA 1.357 59.381 58.000 0.040 0.000 1.282 1097 F CB -0.340 38.683 39.000 0.038 0.000 1.010 1097 F HN 0.196 nan 8.300 nan 0.000 0.485 1098 L N -0.222 121.019 121.223 0.030 0.000 2.201 1098 L HA -0.153 4.161 4.340 -0.044 0.000 0.212 1098 L C 0.857 177.658 176.870 -0.114 0.000 1.105 1098 L CA 1.018 55.813 54.840 -0.075 0.000 0.775 1098 L CB -0.663 41.441 42.059 0.076 0.000 0.913 1098 L HN 0.048 nan 8.230 nan 0.000 0.440 1099 D N 0.691 121.055 120.400 -0.061 0.000 2.460 1099 D HA 0.237 4.850 4.640 -0.044 0.000 0.229 1099 D C 0.487 176.746 176.300 -0.068 0.000 1.170 1099 D CA 0.178 54.157 54.000 -0.034 0.000 0.827 1099 D CB 0.155 40.962 40.800 0.013 0.000 0.973 1099 D HN 0.374 nan 8.370 nan 0.000 0.496 1100 I N -2.452 118.033 120.570 -0.142 0.000 2.982 1100 I HA 0.482 4.626 4.170 -0.044 0.000 0.312 1100 I C 0.563 176.595 176.117 -0.141 0.000 1.041 1100 I CA -1.094 60.127 61.300 -0.131 0.000 1.053 1100 I CB 1.677 39.593 38.000 -0.140 0.000 1.248 1100 I HN -0.225 nan 8.210 nan 0.000 0.471 1101 S N 2.062 117.702 115.700 -0.100 0.000 2.584 1101 S HA 0.185 4.628 4.470 -0.044 0.000 0.270 1101 S C 1.049 175.591 174.600 -0.097 0.000 1.346 1101 S CA -0.283 57.867 58.200 -0.082 0.000 1.018 1101 S CB 1.226 64.395 63.200 -0.052 0.000 0.899 1101 S HN 0.906 nan 8.310 nan 0.000 0.542 1102 R N 1.572 122.029 120.500 -0.072 0.000 2.094 1102 R HA -0.073 4.240 4.340 -0.044 0.000 0.239 1102 R C -0.671 175.604 176.300 -0.041 0.000 1.137 1102 R CA 1.885 57.951 56.100 -0.057 0.000 0.943 1102 R CB -1.539 28.747 30.300 -0.023 0.000 0.850 1102 R HN 0.678 nan 8.270 nan 0.000 0.433 1103 P HA -0.142 nan 4.420 nan 0.000 0.215 1103 P C 0.442 177.732 177.300 -0.017 0.000 1.157 1103 P CA 1.510 64.602 63.100 -0.015 0.000 0.863 1103 P CB -0.102 31.592 31.700 -0.010 0.000 0.787 1104 K N -0.905 119.478 120.400 -0.029 0.000 2.211 1104 K HA -0.045 4.249 4.320 -0.044 0.000 0.203 1104 K C 2.354 178.939 176.600 -0.026 0.000 1.050 1104 K CA 0.945 57.218 56.287 -0.023 0.000 0.945 1104 K CB -0.404 32.078 32.500 -0.031 0.000 0.732 1104 K HN 0.111 nan 8.250 nan 0.000 0.451 1105 M N 0.571 120.126 119.600 -0.075 0.000 2.117 1105 M HA -0.241 4.213 4.480 -0.044 0.000 0.262 1105 M C 2.084 178.410 176.300 0.042 0.000 1.065 1105 M CA 1.659 56.899 55.300 -0.099 0.000 1.114 1105 M CB 0.142 32.602 32.600 -0.233 0.000 1.361 1105 M HN -0.031 nan 8.290 nan 0.000 0.408 1106 Q N 0.295 120.108 119.800 0.022 0.000 2.230 1106 Q HA -0.147 4.167 4.340 -0.044 0.000 0.202 1106 Q C 1.690 177.715 176.000 0.042 0.000 0.963 1106 Q CA 1.441 57.269 55.803 0.041 0.000 0.866 1106 Q CB -0.093 28.658 28.738 0.022 0.000 0.931 1106 Q HN 0.568 nan 8.270 nan 0.000 0.452 1107 E N -1.131 119.089 120.200 0.033 0.000 2.268 1107 E HA -0.116 4.208 4.350 -0.044 0.000 0.195 1107 E C 1.347 177.976 176.600 0.048 0.000 0.995 1107 E CA 0.805 57.224 56.400 0.032 0.000 0.836 1107 E CB 0.292 30.005 29.700 0.022 0.000 0.763 1107 E HN 0.212 nan 8.360 nan 0.000 0.491 1108 V N 0.550 120.513 119.914 0.081 0.000 2.649 1108 V HA -0.146 3.948 4.120 -0.044 0.000 0.248 1108 V C 2.219 178.361 176.094 0.080 0.000 1.054 1108 V CA 1.374 63.738 62.300 0.107 0.000 1.073 1108 V CB 0.631 32.583 31.823 0.215 0.000 0.699 1108 V HN 0.367 nan 8.190 nan 0.000 0.463 1109 V N -1.290 118.675 119.914 0.084 0.000 3.623 1109 V HA 0.427 4.521 4.120 -0.044 0.000 0.271 1109 V C 1.157 177.260 176.094 0.015 0.000 1.248 1109 V CA 0.083 62.409 62.300 0.043 0.000 1.156 1109 V CB -1.076 30.784 31.823 0.063 0.000 0.870 1109 V HN 0.282 nan 8.190 nan 0.000 0.453 1110 A N 2.240 125.071 122.820 0.018 0.000 2.537 1110 A HA 0.293 4.586 4.320 -0.044 0.000 0.260 1110 A C 0.776 178.358 177.584 -0.003 0.000 1.082 1110 A CA 0.781 52.823 52.037 0.008 0.000 0.765 1110 A CB -1.034 17.973 19.000 0.011 0.000 1.019 1110 A HN 0.870 nan 8.150 nan 0.000 0.507 1111 N N 0.176 118.871 118.700 -0.009 0.000 6.033 1111 N HA -0.142 4.572 4.740 -0.044 0.000 0.394 1111 N C -0.444 175.048 175.510 -0.030 0.000 1.156 1111 N CA 0.468 53.508 53.050 -0.017 0.000 2.206 1111 N CB -0.405 38.074 38.487 -0.013 0.000 0.665 1111 N HN 1.360 nan 8.380 nan 0.000 0.591 1112 L N -0.129 121.073 121.223 -0.035 0.000 0.762 1112 L HA -0.267 4.046 4.340 -0.044 0.000 0.363 1112 L C 0.039 176.870 176.870 -0.065 0.000 1.004 1112 L CA 1.570 56.380 54.840 -0.050 0.000 1.223 1112 L CB -0.568 41.457 42.059 -0.057 0.000 0.295 1112 L HN 0.937 nan 8.230 nan 0.000 0.182 1125 T N -0.933 113.613 114.554 -0.013 0.000 2.724 1125 T HA 0.786 5.110 4.350 -0.044 0.000 0.274 1125 T C 1.524 176.251 174.700 0.045 0.000 0.984 1125 T CA 0.188 62.297 62.100 0.015 0.000 1.024 1125 T CB 1.014 69.894 68.868 0.019 0.000 1.320 1125 T HN 1.975 nan 8.240 nan 0.000 0.555 1126 A N 0.942 123.810 122.820 0.080 0.000 1.892 1126 A HA -0.140 4.154 4.320 -0.044 0.000 0.218 1126 A C 1.852 179.509 177.584 0.123 0.000 1.188 1126 A CA 2.189 54.310 52.037 0.141 0.000 0.631 1126 A CB -1.323 17.736 19.000 0.099 0.000 0.822 1126 A HN 0.878 nan 8.150 nan 0.000 0.447 1127 D N -0.538 119.903 120.400 0.068 0.000 2.224 1127 D HA -0.091 4.522 4.640 -0.044 0.000 0.205 1127 D C 1.277 177.593 176.300 0.026 0.000 0.965 1127 D CA 1.334 55.361 54.000 0.045 0.000 0.852 1127 D CB -0.469 40.353 40.800 0.035 0.000 0.947 1127 D HN 0.452 nan 8.370 nan 0.000 0.494 1128 D N 0.007 120.416 120.400 0.015 0.000 2.144 1128 D HA -0.072 4.542 4.640 -0.044 0.000 0.200 1128 D C 1.856 178.135 176.300 -0.035 0.000 0.978 1128 D CA 0.245 54.235 54.000 -0.017 0.000 0.833 1128 D CB 0.103 40.884 40.800 -0.032 0.000 0.961 1128 D HN 0.015 nan 8.370 nan 0.000 0.470 1129 L N 0.351 121.560 121.223 -0.023 0.000 2.162 1129 L HA 0.081 4.395 4.340 -0.044 0.000 0.205 1129 L C 2.061 178.923 176.870 -0.014 0.000 1.086 1129 L CA 0.757 55.536 54.840 -0.102 0.000 0.778 1129 L CB -0.584 41.364 42.059 -0.183 0.000 0.928 1129 L HN 0.140 nan 8.230 nan 0.000 0.446 1130 I N -0.126 120.536 120.570 0.153 0.000 2.163 1130 I HA -0.337 3.807 4.170 -0.044 0.000 0.243 1130 I C 2.518 178.679 176.117 0.073 0.000 1.085 1130 I CA 1.155 62.571 61.300 0.194 0.000 1.347 1130 I CB -0.277 37.796 38.000 0.121 0.000 1.044 1130 I HN 0.167 nan 8.210 nan 0.000 0.408 1131 K N 0.475 120.889 120.400 0.023 0.000 2.147 1131 K HA -0.116 4.178 4.320 -0.044 0.000 0.205 1131 K C 2.060 178.668 176.600 0.014 0.000 1.049 1131 K CA 1.116 57.404 56.287 0.001 0.000 0.936 1131 K CB -0.302 32.192 32.500 -0.009 0.000 0.722 1131 K HN 0.213 nan 8.250 nan 0.000 0.446 1132 V N 0.632 120.548 119.914 0.003 0.000 2.261 1132 V HA -0.213 3.881 4.120 -0.044 0.000 0.246 1132 V C 2.478 178.604 176.094 0.053 0.000 1.047 1132 V CA 1.463 63.776 62.300 0.021 0.000 1.015 1132 V CB -0.395 31.379 31.823 -0.081 0.000 0.642 1132 V HN -0.019 nan 8.190 nan 0.000 0.446 1133 V N -0.449 119.484 119.914 0.032 0.000 2.343 1133 V HA -0.217 3.877 4.120 -0.044 0.000 0.247 1133 V C 2.562 178.707 176.094 0.084 0.000 1.051 1133 V CA 1.751 64.102 62.300 0.084 0.000 1.036 1133 V CB -0.679 31.230 31.823 0.144 0.000 0.654 1133 V HN 0.554 nan 8.190 nan 0.000 0.451 1134 E N 0.222 120.456 120.200 0.057 0.000 2.108 1134 E HA -0.310 4.014 4.350 -0.044 0.000 0.203 1134 E C 2.224 178.823 176.600 -0.001 0.000 1.022 1134 E CA 2.098 58.505 56.400 0.011 0.000 0.823 1134 E CB -0.161 29.526 29.700 -0.022 0.000 0.744 1134 E HN 0.723 nan 8.360 nan 0.000 0.456 1135 E N 0.223 120.430 120.200 0.011 0.000 2.072 1135 E HA -0.102 4.221 4.350 -0.044 0.000 0.191 1135 E C 2.353 178.947 176.600 -0.009 0.000 0.985 1135 E CA 0.449 56.848 56.400 -0.003 0.000 0.801 1135 E CB -0.061 29.650 29.700 0.019 0.000 0.750 1135 E HN 0.180 nan 8.360 nan 0.000 0.452 1136 L N 0.920 122.157 121.223 0.023 0.000 2.131 1136 L HA -0.155 4.158 4.340 -0.044 0.000 0.210 1136 L C 2.733 179.654 176.870 0.086 0.000 1.092 1136 L CA 1.526 56.376 54.840 0.016 0.000 0.759 1136 L CB -0.539 41.548 42.059 0.046 0.000 0.903 1136 L HN 0.322 nan 8.230 nan 0.000 0.435 1137 T N -3.482 111.122 114.554 0.083 0.000 3.035 1137 T HA -0.201 4.123 4.350 -0.044 0.000 0.268 1137 T C 1.843 176.442 174.700 -0.169 0.000 1.109 1137 T CA 0.621 62.751 62.100 0.050 0.000 1.119 1137 T CB -0.222 68.678 68.868 0.054 0.000 0.900 1137 T HN 0.195 nan 8.240 nan 0.000 0.503 1138 R N 0.643 121.082 120.500 -0.102 0.000 2.317 1138 R HA 0.324 4.638 4.340 -0.044 0.000 0.208 1138 R C 2.004 178.238 176.300 -0.110 0.000 0.914 1138 R CA 0.127 56.150 56.100 -0.128 0.000 1.060 1138 R CB -0.080 30.170 30.300 -0.083 0.000 1.015 1138 R HN 0.573 nan 8.270 nan 0.000 0.498 1139 I N -0.875 119.654 120.570 -0.069 0.000 3.603 1139 I HA 0.054 4.197 4.170 -0.044 0.000 0.297 1139 I C -0.022 176.132 176.117 0.061 0.000 1.269 1139 I CA 0.542 61.838 61.300 -0.007 0.000 1.361 1139 I CB -0.541 37.460 38.000 0.001 0.000 1.063 1139 I HN 0.060 nan 8.210 nan 0.000 0.448 1140 H N 0.000 119.092 119.070 0.037 0.000 2.539 1140 H HA 0.000 4.530 4.556 -0.044 0.000 0.296 1140 H CA 0.000 56.068 56.048 0.033 0.000 1.023 1140 H CB 0.000 29.789 29.762 0.046 0.000 1.292 1140 H HN 0.000 nan 8.280 nan 0.000 0.496