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 3i7k_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 MDGTVTLKDL DATA SEQUENCE RVELLGETSI AEcLTYLDNG VVFVGSRLGD SQLVKLNVDS NEQGSYVVAM DATA SEQUENCE ETFTNLGPIV DMCVVDLERQ GQGQLVTCSG AFKEGSLRII RNGIGIHEHA DATA SEQUENCE SIDLPGIKGL WPLRSDPNRE TYDTLVLSFV GQTRVLMLNG EEVEETELMG DATA SEQUENCE FVDDQQTFFC GNVAHQQLIQ ITSASVRLVS QEPKALVSEW KEPQAKNISV DATA SEQUENCE ASCNSSQVVV AVGRALYYLQ IHPQELRQIS HTEMEHEVAC LDITPLGDSN 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 FSSXXXXXXX XXGEEVEVHN LLIIDQHTFE DATA SEQUENCE VLHAHQFLQN EYALSLVSCK LGKDPNTYFI VGTAMVYPEE AEPKQGRIVV DATA SEQUENCE FQYSDGKLQT VAEKEVKGAV YSMVEFNGKL LASINSTVRL YEWTTEKDVR 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 NXXXXXXXXX XREATADDLI 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 0.000 175.843 176.300 -0.762 0.000 1.140 1 M CA 0.000 55.018 55.300 -0.470 0.000 0.988 1 M CB 0.000 32.466 32.600 -0.224 0.000 1.302 2 S N 1.173 116.191 115.700 -1.138 0.000 2.622 2 S HA 0.738 5.207 4.470 -0.003 0.000 0.283 2 S C -1.773 172.170 174.600 -1.095 0.000 1.197 2 S CA -0.274 57.386 58.200 -0.899 0.000 1.146 2 S CB 0.436 63.322 63.200 -0.523 0.000 1.007 2 S HN 0.378 nan 8.310 nan 0.000 0.478 3 Y N 3.404 123.473 120.300 -0.384 0.000 2.349 3 Y HA 0.536 5.084 4.550 -0.003 0.000 0.324 3 Y C 0.112 175.878 175.900 -0.223 0.000 1.005 3 Y CA -1.375 56.497 58.100 -0.381 0.000 1.240 3 Y CB 0.906 39.220 38.460 -0.243 0.000 1.117 3 Y HN 0.453 nan 8.280 nan 0.000 0.463 4 N N 1.938 120.550 118.700 -0.146 0.000 2.272 4 N HA 0.335 5.074 4.740 -0.003 0.000 0.305 4 N C -1.798 173.734 175.510 0.037 0.000 1.103 4 N CA -0.779 52.140 53.050 -0.218 0.000 0.791 4 N CB 2.663 40.681 38.487 -0.781 0.000 1.356 4 N HN 0.629 nan 8.380 nan 0.000 0.486 5 Y N 0.623 120.912 120.300 -0.018 0.000 2.409 5 Y HA 0.551 5.099 4.550 -0.003 0.000 0.343 5 Y C -1.156 174.780 175.900 0.059 0.000 0.973 5 Y CA -0.579 57.550 58.100 0.049 0.000 1.064 5 Y CB 1.265 39.742 38.460 0.028 0.000 1.207 5 Y HN 0.183 nan 8.280 nan 0.000 0.452 6 V N 6.966 126.626 119.914 -0.423 0.000 2.524 6 V HA 0.538 4.656 4.120 -0.003 0.000 0.297 6 V C -1.120 174.810 176.094 -0.272 0.000 1.035 6 V CA -0.784 61.390 62.300 -0.211 0.000 0.867 6 V CB 1.484 33.145 31.823 -0.269 0.000 1.004 6 V HN 0.636 nan 8.190 nan 0.000 0.426 7 V N 1.520 121.377 119.914 -0.095 0.000 2.864 7 V HA 0.608 4.727 4.120 -0.003 0.000 0.314 7 V C 0.294 176.302 176.094 -0.143 0.000 1.073 7 V CA -0.796 61.436 62.300 -0.114 0.000 0.956 7 V CB 1.861 33.589 31.823 -0.159 0.000 1.023 7 V HN 0.714 nan 8.190 nan 0.000 0.435 8 T N 2.385 116.872 114.554 -0.113 0.000 2.916 8 T HA 0.434 4.782 4.350 -0.003 0.000 0.303 8 T C 0.975 175.508 174.700 -0.279 0.000 1.025 8 T CA 0.670 62.691 62.100 -0.131 0.000 1.142 8 T CB 1.390 70.240 68.868 -0.029 0.000 0.947 8 T HN 1.071 nan 8.240 nan 0.000 0.544 9 A N 2.813 125.487 122.820 -0.243 0.000 2.192 9 A HA 0.351 4.670 4.320 -0.003 0.000 0.208 9 A C 0.732 178.277 177.584 -0.064 0.000 1.220 9 A CA 0.164 52.090 52.037 -0.185 0.000 0.900 9 A CB 0.325 19.222 19.000 -0.172 0.000 0.937 9 A HN 0.598 nan 8.150 nan 0.000 0.487 10 Q N 0.596 120.348 119.800 -0.080 0.000 2.263 10 Q HA 0.391 4.729 4.340 -0.003 0.000 0.262 10 Q C -1.405 174.577 176.000 -0.030 0.000 0.984 10 Q CA -0.332 55.447 55.803 -0.039 0.000 0.813 10 Q CB 0.955 29.663 28.738 -0.050 0.000 1.299 10 Q HN 0.273 nan 8.270 nan 0.000 0.428 11 K N 4.346 124.744 120.400 -0.002 0.000 2.380 11 K HA 0.240 4.559 4.320 -0.003 0.000 0.267 11 K C -2.224 174.381 176.600 0.008 0.000 0.990 11 K CA -1.392 54.902 56.287 0.012 0.000 0.946 11 K CB 0.007 32.520 32.500 0.022 0.000 0.937 11 K HN 0.501 nan 8.250 nan 0.000 0.491 12 P HA -0.106 nan 4.420 nan 0.000 0.263 12 P C 0.279 177.585 177.300 0.010 0.000 1.175 12 P CA 0.564 63.673 63.100 0.014 0.000 0.761 12 P CB 0.491 32.202 31.700 0.019 0.000 0.794 13 T N -0.995 113.563 114.554 0.006 0.000 2.975 13 T HA 0.374 4.722 4.350 -0.003 0.000 0.257 13 T C 0.749 175.459 174.700 0.018 0.000 1.003 13 T CA -0.110 61.998 62.100 0.013 0.000 0.932 13 T CB -0.000 68.874 68.868 0.010 0.000 1.087 13 T HN 0.393 nan 8.240 nan 0.000 0.512 14 A N 1.635 124.460 122.820 0.008 0.000 2.462 14 A HA 0.587 4.905 4.320 -0.003 0.000 0.243 14 A C 0.155 177.747 177.584 0.015 0.000 1.076 14 A CA -0.341 51.700 52.037 0.007 0.000 0.773 14 A CB 0.206 19.202 19.000 -0.005 0.000 1.010 14 A HN 0.352 nan 8.150 nan 0.000 0.493 15 V N 3.903 123.832 119.914 0.025 0.000 2.406 15 V HA 0.131 4.250 4.120 -0.003 0.000 0.272 15 V C 0.629 176.734 176.094 0.018 0.000 1.043 15 V CA -0.454 61.870 62.300 0.040 0.000 0.915 15 V CB 0.974 32.851 31.823 0.090 0.000 0.988 15 V HN 1.000 nan 8.190 nan 0.000 0.466 16 N N 3.388 122.091 118.700 0.005 0.000 2.432 16 N HA 0.159 4.897 4.740 -0.003 0.000 0.174 16 N C 0.614 176.120 175.510 -0.007 0.000 1.037 16 N CA 0.748 53.791 53.050 -0.012 0.000 0.892 16 N CB 1.170 39.637 38.487 -0.034 0.000 1.049 16 N HN 0.745 nan 8.380 nan 0.000 0.442 17 G N 0.000 108.802 108.800 0.003 0.000 2.677 17 G HA2 0.538 4.497 3.960 -0.003 0.000 0.291 17 G HA3 0.538 4.497 3.960 -0.003 0.000 0.291 17 G C -1.415 173.502 174.900 0.028 0.000 1.435 17 G CA -0.497 44.606 45.100 0.006 0.000 0.826 17 G HN 0.269 nan 8.290 nan 0.000 0.491 18 c N -1.112 117.510 118.600 0.036 0.000 3.090 18 c HA 0.889 5.457 4.570 -0.003 0.000 0.347 18 c C -0.939 173.165 174.090 0.023 0.000 1.147 18 c CA -0.928 55.426 56.329 0.041 0.000 1.305 18 c CB 0.958 43.557 42.510 0.147 0.000 1.692 18 c HN 1.167 nan 8.230 nan 0.000 0.506 19 V N 0.782 120.689 119.914 -0.011 0.000 3.147 19 V HA 0.851 4.969 4.120 -0.003 0.000 0.306 19 V C -0.576 175.497 176.094 -0.034 0.000 1.209 19 V CA 0.254 62.549 62.300 -0.009 0.000 1.023 19 V CB 2.655 34.469 31.823 -0.016 0.000 1.059 19 V HN 1.195 nan 8.190 nan 0.000 0.435 20 T N 2.242 116.783 114.554 -0.023 0.000 2.863 20 T HA 0.910 5.259 4.350 -0.003 0.000 0.285 20 T C -0.114 174.528 174.700 -0.097 0.000 1.009 20 T CA 0.489 62.554 62.100 -0.059 0.000 0.989 20 T CB 1.313 70.162 68.868 -0.031 0.000 1.004 20 T HN 1.492 nan 8.240 nan 0.000 0.455 21 G N 1.908 110.594 108.800 -0.190 0.000 2.356 21 G HA2 0.328 4.286 3.960 -0.003 0.000 0.281 21 G HA3 0.328 4.286 3.960 -0.003 0.000 0.281 21 G C -1.943 172.673 174.900 -0.472 0.000 1.246 21 G CA -0.712 44.188 45.100 -0.333 0.000 0.889 21 G HN 0.724 nan 8.290 nan 0.000 0.486 22 H N -0.123 118.995 119.070 0.079 0.000 2.736 22 H HA 0.552 5.107 4.556 -0.003 0.000 0.271 22 H C -0.197 175.199 175.328 0.114 0.000 1.184 22 H CA -0.471 55.618 56.048 0.067 0.000 1.378 22 H CB 1.292 31.078 29.762 0.040 0.000 1.428 22 H HN 0.396 nan 8.280 nan 0.000 0.500 23 F N 0.748 120.679 119.950 -0.032 0.000 2.729 23 F HA 0.107 4.632 4.527 -0.003 0.000 0.304 23 F C 1.648 177.352 175.800 -0.160 0.000 1.008 23 F CA 0.331 58.286 58.000 -0.076 0.000 1.188 23 F CB 0.575 39.516 39.000 -0.098 0.000 0.980 23 F HN 0.327 nan 8.300 nan 0.000 0.627 24 T N 0.471 114.777 114.554 -0.414 0.000 2.777 24 T HA 0.048 4.397 4.350 -0.003 0.000 0.266 24 T C 0.570 175.123 174.700 -0.246 0.000 1.040 24 T CA 1.531 63.224 62.100 -0.679 0.000 1.141 24 T CB -0.326 68.254 68.868 -0.480 0.000 0.868 24 T HN 0.428 nan 8.240 nan 0.000 0.444 25 S N -1.536 114.099 115.700 -0.108 0.000 2.615 25 S HA 0.699 5.168 4.470 -0.003 0.000 0.269 25 S C 0.745 175.354 174.600 0.016 0.000 1.161 25 S CA -0.326 57.853 58.200 -0.034 0.000 0.817 25 S CB 1.303 64.490 63.200 -0.022 0.000 1.131 25 S HN 0.078 nan 8.310 nan 0.000 0.467 26 A N 0.483 123.303 122.820 0.001 0.000 2.125 26 A HA 0.048 4.366 4.320 -0.003 0.000 0.219 26 A C 1.385 178.918 177.584 -0.086 0.000 1.156 26 A CA 1.355 53.377 52.037 -0.024 0.000 0.671 26 A CB -0.787 18.188 19.000 -0.042 0.000 0.794 26 A HN 0.893 nan 8.150 nan 0.000 0.459 27 E N -0.539 119.641 120.200 -0.034 0.000 2.609 27 E HA 0.276 4.624 4.350 -0.003 0.000 0.208 27 E C -1.250 175.362 176.600 0.019 0.000 1.013 27 E CA -0.485 55.895 56.400 -0.033 0.000 1.093 27 E CB 0.113 29.797 29.700 -0.026 0.000 1.129 27 E HN 0.240 nan 8.360 nan 0.000 0.450 28 D N 0.977 121.431 120.400 0.091 0.000 2.645 28 D HA 0.365 5.003 4.640 -0.003 0.000 0.228 28 D C -1.633 174.821 176.300 0.257 0.000 1.148 28 D CA -0.719 53.348 54.000 0.112 0.000 0.860 28 D CB 2.346 43.167 40.800 0.036 0.000 1.548 28 D HN 0.089 nan 8.370 nan 0.000 0.460 29 L N 2.433 123.730 121.223 0.123 0.000 2.294 29 L HA 0.449 4.788 4.340 -0.003 0.000 0.283 29 L C -0.929 175.920 176.870 -0.034 0.000 1.015 29 L CA -0.344 54.511 54.840 0.024 0.000 0.831 29 L CB 0.564 42.639 42.059 0.026 0.000 1.217 29 L HN 0.188 nan 8.230 nan 0.000 0.420 30 N N 4.232 122.886 118.700 -0.075 0.000 2.466 30 N HA 0.461 5.200 4.740 -0.003 0.000 0.294 30 N C -1.312 174.159 175.510 -0.065 0.000 1.129 30 N CA -0.574 52.448 53.050 -0.047 0.000 0.931 30 N CB 2.414 40.890 38.487 -0.018 0.000 1.193 30 N HN 0.432 nan 8.380 nan 0.000 0.500 31 L N 1.876 123.074 121.223 -0.042 0.000 2.305 31 L HA 0.459 4.797 4.340 -0.003 0.000 0.284 31 L C -1.452 175.399 176.870 -0.031 0.000 1.013 31 L CA -0.550 54.233 54.840 -0.094 0.000 0.819 31 L CB 0.825 42.731 42.059 -0.256 0.000 1.227 31 L HN 0.311 nan 8.230 nan 0.000 0.417 32 L N 6.748 127.927 121.223 -0.073 0.000 2.280 32 L HA 0.514 4.853 4.340 -0.003 0.000 0.287 32 L C -0.380 176.448 176.870 -0.071 0.000 1.023 32 L CA 0.154 54.951 54.840 -0.071 0.000 0.819 32 L CB 1.232 43.207 42.059 -0.140 0.000 1.212 32 L HN 0.481 nan 8.230 nan 0.000 0.420 33 I N 2.969 123.514 120.570 -0.042 0.000 2.354 33 I HA 0.575 4.744 4.170 -0.003 0.000 0.292 33 I C 0.221 176.321 176.117 -0.028 0.000 0.989 33 I CA -0.713 60.564 61.300 -0.039 0.000 1.188 33 I CB 1.777 39.744 38.000 -0.055 0.000 1.342 33 I HN 0.644 nan 8.210 nan 0.000 0.457 34 A N 6.426 129.230 122.820 -0.027 0.000 2.252 34 A HA 0.516 4.835 4.320 -0.003 0.000 0.309 34 A C 0.095 177.665 177.584 -0.023 0.000 1.285 34 A CA -0.480 51.532 52.037 -0.041 0.000 0.900 34 A CB 0.515 19.481 19.000 -0.056 0.000 1.157 34 A HN 0.708 nan 8.150 nan 0.000 0.536 35 K N 0.982 121.367 120.400 -0.025 0.000 3.206 35 K HA 0.170 4.488 4.320 -0.003 0.000 0.284 35 K C 1.699 178.278 176.600 -0.036 0.000 1.082 35 K CA 0.756 57.032 56.287 -0.018 0.000 1.536 35 K CB -0.092 32.403 32.500 -0.008 0.000 1.993 35 K HN 0.779 nan 8.250 nan 0.000 0.646 36 N N -0.861 117.820 118.700 -0.032 0.000 2.349 36 N HA -0.087 4.652 4.740 -0.003 0.000 0.202 36 N C 0.812 176.284 175.510 -0.064 0.000 1.041 36 N CA 1.349 54.373 53.050 -0.044 0.000 0.970 36 N CB 0.095 38.569 38.487 -0.021 0.000 1.173 36 N HN 0.435 nan 8.380 nan 0.000 0.493 37 T N -0.931 113.592 114.554 -0.052 0.000 3.122 37 T HA 0.340 4.688 4.350 -0.003 0.000 0.250 37 T C 0.472 175.107 174.700 -0.108 0.000 1.067 37 T CA -0.244 61.785 62.100 -0.118 0.000 0.966 37 T CB 0.093 68.902 68.868 -0.098 0.000 1.002 37 T HN 0.048 nan 8.240 nan 0.000 0.542 38 R N 1.319 121.776 120.500 -0.072 0.000 2.387 38 R HA 0.539 4.877 4.340 -0.003 0.000 0.314 38 R C -1.259 174.999 176.300 -0.070 0.000 0.958 38 R CA -0.965 55.097 56.100 -0.064 0.000 0.846 38 R CB 1.907 32.188 30.300 -0.033 0.000 1.147 38 R HN 0.213 nan 8.270 nan 0.000 0.447 39 L N 2.506 123.682 121.223 -0.079 0.000 2.282 39 L HA 0.394 4.732 4.340 -0.003 0.000 0.288 39 L C -0.318 176.509 176.870 -0.072 0.000 1.033 39 L CA 0.002 54.795 54.840 -0.078 0.000 0.807 39 L CB 1.190 43.197 42.059 -0.088 0.000 1.209 39 L HN 0.523 nan 8.230 nan 0.000 0.423 40 E N 5.750 125.910 120.200 -0.067 0.000 2.199 40 E HA 0.531 4.879 4.350 -0.003 0.000 0.269 40 E C -1.161 175.356 176.600 -0.139 0.000 0.899 40 E CA -0.529 55.800 56.400 -0.117 0.000 0.772 40 E CB 2.315 32.000 29.700 -0.025 0.000 1.155 40 E HN 0.541 nan 8.360 nan 0.000 0.408 41 I N 3.145 123.546 120.570 -0.281 0.000 2.418 41 I HA 0.345 4.513 4.170 -0.003 0.000 0.287 41 I C -1.008 174.867 176.117 -0.404 0.000 1.008 41 I CA -0.758 60.424 61.300 -0.196 0.000 1.104 41 I CB 0.641 38.609 38.000 -0.054 0.000 1.264 41 I HN 0.435 nan 8.210 nan 0.000 0.438 42 Y N 4.478 124.697 120.300 -0.135 0.000 2.567 42 Y HA 0.619 5.168 4.550 -0.003 0.000 0.333 42 Y C 0.038 175.867 175.900 -0.118 0.000 1.106 42 Y CA -0.996 57.022 58.100 -0.138 0.000 1.157 42 Y CB 1.894 40.235 38.460 -0.198 0.000 1.277 42 Y HN 0.145 nan 8.280 nan 0.000 0.490 43 V N 2.490 122.447 119.914 0.073 0.000 2.417 43 V HA 0.291 4.410 4.120 -0.003 0.000 0.291 43 V C -0.607 175.507 176.094 0.034 0.000 1.024 43 V CA -1.080 61.233 62.300 0.022 0.000 0.861 43 V CB 1.509 33.331 31.823 -0.002 0.000 0.985 43 V HN 0.503 nan 8.190 nan 0.000 0.436 44 V N 5.792 125.707 119.914 0.003 0.000 2.446 44 V HA 0.256 4.374 4.120 -0.003 0.000 0.276 44 V C 0.979 177.075 176.094 0.003 0.000 1.030 44 V CA 0.433 62.726 62.300 -0.013 0.000 1.033 44 V CB 0.604 32.407 31.823 -0.035 0.000 0.993 44 V HN 1.140 nan 8.190 nan 0.000 0.477 45 T N 2.908 117.468 114.554 0.010 0.000 2.747 45 T HA 0.689 5.037 4.350 -0.003 0.000 0.236 45 T C 0.959 175.666 174.700 0.011 0.000 1.046 45 T CA 0.163 62.272 62.100 0.016 0.000 1.054 45 T CB 1.263 70.147 68.868 0.027 0.000 2.287 45 T HN 0.543 nan 8.240 nan 0.000 0.523 46 A N -0.780 122.050 122.820 0.017 0.000 2.074 46 A HA 0.354 4.672 4.320 -0.003 0.000 0.200 46 A C 2.132 179.726 177.584 0.017 0.000 1.335 46 A CA 0.123 52.168 52.037 0.014 0.000 0.922 46 A CB -0.291 18.719 19.000 0.016 0.000 0.972 46 A HN 0.631 nan 8.150 nan 0.000 0.475 47 E N -0.014 120.201 120.200 0.024 0.000 2.076 47 E HA 0.174 4.522 4.350 -0.003 0.000 0.190 47 E C 1.254 177.874 176.600 0.032 0.000 0.979 47 E CA 1.393 57.810 56.400 0.028 0.000 0.807 47 E CB 0.287 30.008 29.700 0.034 0.000 0.761 47 E HN 0.568 nan 8.360 nan 0.000 0.454 48 G N -0.526 108.295 108.800 0.036 0.000 2.483 48 G HA2 0.140 4.098 3.960 -0.003 0.000 0.090 48 G HA3 0.140 4.098 3.960 -0.003 0.000 0.090 48 G C -1.510 173.407 174.900 0.030 0.000 0.984 48 G CA -0.476 44.649 45.100 0.042 0.000 1.325 48 G HN 0.028 nan 8.290 nan 0.000 0.561 49 L N 1.144 122.393 121.223 0.043 0.000 2.325 49 L HA 0.761 5.100 4.340 -0.003 0.000 0.281 49 L C 0.014 176.972 176.870 0.146 0.000 1.004 49 L CA -0.581 54.283 54.840 0.040 0.000 0.823 49 L CB 1.736 43.698 42.059 -0.163 0.000 1.236 49 L HN 0.501 nan 8.230 nan 0.000 0.415 50 R N 4.861 125.446 120.500 0.143 0.000 2.204 50 R HA 0.501 4.839 4.340 -0.003 0.000 0.341 50 R C -2.476 173.877 176.300 0.088 0.000 1.035 50 R CA -1.722 54.445 56.100 0.112 0.000 0.887 50 R CB 0.855 31.192 30.300 0.061 0.000 1.114 50 R HN 0.268 nan 8.270 nan 0.000 0.473 51 P HA -0.061 nan 4.420 nan 0.000 0.269 51 P C -0.049 177.157 177.300 -0.156 0.000 1.209 51 P CA -0.040 62.920 63.100 -0.233 0.000 0.776 51 P CB 1.060 32.665 31.700 -0.159 0.000 0.876 52 V N -1.343 118.442 119.914 -0.216 0.000 3.229 52 V HA 0.481 4.599 4.120 -0.003 0.000 0.239 52 V C 0.066 176.128 176.094 -0.053 0.000 1.390 52 V CA 0.564 62.811 62.300 -0.088 0.000 1.231 52 V CB -0.060 31.727 31.823 -0.061 0.000 1.025 52 V HN 0.340 nan 8.190 nan 0.000 0.461 53 K N 0.625 120.963 120.400 -0.102 0.000 2.569 53 K HA 0.534 4.852 4.320 -0.003 0.000 0.259 53 K C -1.727 174.812 176.600 -0.103 0.000 0.932 53 K CA -0.173 56.088 56.287 -0.043 0.000 0.833 53 K CB 2.011 34.569 32.500 0.096 0.000 1.340 53 K HN 0.317 nan 8.250 nan 0.000 0.429 54 E N 3.333 123.482 120.200 -0.085 0.000 2.216 54 E HA 0.452 4.800 4.350 -0.003 0.000 0.260 54 E C -1.257 175.307 176.600 -0.060 0.000 0.880 54 E CA -0.726 55.620 56.400 -0.091 0.000 0.765 54 E CB 1.493 31.140 29.700 -0.089 0.000 1.174 54 E HN 0.474 nan 8.360 nan 0.000 0.417 55 V N 0.684 120.562 119.914 -0.060 0.000 2.735 55 V HA 0.850 4.969 4.120 -0.003 0.000 0.310 55 V C 0.288 176.329 176.094 -0.089 0.000 1.061 55 V CA -0.858 61.401 62.300 -0.069 0.000 0.913 55 V CB 1.717 33.502 31.823 -0.063 0.000 1.005 55 V HN 0.576 nan 8.190 nan 0.000 0.428 56 G N 4.997 113.733 108.800 -0.106 0.000 2.370 56 G HA2 0.560 4.519 3.960 -0.003 0.000 0.272 56 G HA3 0.560 4.519 3.960 -0.003 0.000 0.272 56 G C -0.350 174.402 174.900 -0.246 0.000 1.208 56 G CA -0.684 44.336 45.100 -0.133 0.000 0.856 56 G HN 0.621 nan 8.290 nan 0.000 0.500 57 M N 1.528 120.974 119.600 -0.257 0.000 2.537 57 M HA 0.262 4.740 4.480 -0.003 0.000 0.324 57 M C -0.934 175.099 176.300 -0.446 0.000 1.187 57 M CA -0.951 54.137 55.300 -0.352 0.000 0.993 57 M CB 1.935 34.361 32.600 -0.292 0.000 1.666 57 M HN 0.449 nan 8.290 nan 0.000 0.461 58 Y N 0.969 120.912 120.300 -0.596 0.000 2.903 58 Y HA 0.539 5.087 4.550 -0.002 0.000 0.387 58 Y C 0.903 175.902 175.900 -1.502 0.000 1.189 58 Y CA -0.658 56.745 58.100 -1.161 0.000 1.856 58 Y CB -0.470 37.689 38.460 -0.502 0.000 1.917 58 Y HN 0.763 nan 8.280 nan 0.000 0.448 59 G N 0.493 108.385 108.800 -1.514 0.000 2.380 59 G HA2 0.140 4.099 3.960 -0.003 0.000 0.305 59 G HA3 0.140 4.099 3.960 -0.003 0.000 0.305 59 G C -1.356 173.301 174.900 -0.405 0.000 1.672 59 G CA -1.315 43.335 45.100 -0.750 0.000 0.904 59 G HN 0.101 nan 8.290 nan 0.000 0.686 60 K N 1.987 122.322 120.400 -0.108 0.000 2.382 60 K HA 0.214 4.532 4.320 -0.003 0.000 0.286 60 K C 0.799 177.328 176.600 -0.118 0.000 1.062 60 K CA 0.021 56.268 56.287 -0.067 0.000 1.000 60 K CB 0.827 33.323 32.500 -0.008 0.000 0.954 60 K HN 0.401 nan 8.250 nan 0.000 0.470 61 I N 2.410 122.897 120.570 -0.138 0.000 2.683 61 I HA -0.106 4.063 4.170 -0.003 0.000 0.286 61 I C 1.060 177.101 176.117 -0.126 0.000 1.175 61 I CA 0.439 61.651 61.300 -0.147 0.000 1.429 61 I CB 0.874 38.788 38.000 -0.143 0.000 1.371 61 I HN 0.786 nan 8.210 nan 0.000 0.569 62 A N 5.822 128.559 122.820 -0.139 0.000 2.530 62 A HA 0.468 4.786 4.320 -0.003 0.000 0.214 62 A C 0.021 177.546 177.584 -0.098 0.000 1.352 62 A CA 0.060 52.031 52.037 -0.111 0.000 1.035 62 A CB 0.765 19.690 19.000 -0.125 0.000 1.296 62 A HN 0.430 nan 8.150 nan 0.000 0.563 63 V N 0.573 120.403 119.914 -0.139 0.000 2.711 63 V HA 0.540 4.658 4.120 -0.003 0.000 0.304 63 V C -0.877 175.117 176.094 -0.166 0.000 1.097 63 V CA -0.182 62.053 62.300 -0.109 0.000 0.906 63 V CB 1.699 33.478 31.823 -0.072 0.000 1.015 63 V HN 0.461 nan 8.190 nan 0.000 0.427 64 M N 4.364 123.916 119.600 -0.081 0.000 2.106 64 M HA 0.620 5.098 4.480 -0.003 0.000 0.288 64 M C -1.631 174.672 176.300 0.006 0.000 0.941 64 M CA -0.139 55.111 55.300 -0.084 0.000 0.934 64 M CB 1.424 33.968 32.600 -0.094 0.000 1.551 64 M HN 0.632 nan 8.290 nan 0.000 0.437 65 E N 4.945 125.192 120.200 0.079 0.000 2.290 65 E HA 0.479 4.827 4.350 -0.003 0.000 0.274 65 E C -1.528 175.220 176.600 0.248 0.000 0.889 65 E CA -0.508 55.990 56.400 0.163 0.000 0.760 65 E CB 2.772 32.600 29.700 0.213 0.000 1.206 65 E HN 0.748 nan 8.360 nan 0.000 0.419 66 L N 3.431 124.772 121.223 0.196 0.000 2.343 66 L HA 0.622 4.960 4.340 -0.003 0.000 0.275 66 L C -0.171 176.941 176.870 0.403 0.000 1.056 66 L CA -0.809 54.164 54.840 0.223 0.000 0.804 66 L CB 0.447 42.540 42.059 0.056 0.000 1.203 66 L HN 0.501 nan 8.230 nan 0.000 0.440 67 F N 0.101 120.099 119.950 0.079 0.000 2.708 67 F HA 0.549 5.075 4.527 -0.003 0.000 0.309 67 F C -1.073 174.781 175.800 0.090 0.000 1.120 67 F CA -1.337 56.710 58.000 0.079 0.000 0.978 67 F CB 1.273 40.303 39.000 0.049 0.000 1.283 67 F HN 0.435 nan 8.300 nan 0.000 0.439 68 R N 2.113 122.642 120.500 0.048 0.000 2.360 68 R HA 0.701 5.039 4.340 -0.003 0.000 0.318 68 R C -3.190 173.145 176.300 0.059 0.000 0.950 68 R CA -1.631 54.440 56.100 -0.048 0.000 0.837 68 R CB 1.468 31.769 30.300 0.001 0.000 1.165 68 R HN 0.395 nan 8.270 nan 0.000 0.458 69 P HA 0.004 nan 4.420 nan 0.000 0.272 69 P C -0.823 176.512 177.300 0.058 0.000 1.240 69 P CA -0.490 62.675 63.100 0.108 0.000 0.791 69 P CB 0.477 32.243 31.700 0.110 0.000 0.978 70 K N 0.699 121.133 120.400 0.057 0.000 2.473 70 K HA 0.115 4.433 4.320 -0.003 0.000 0.277 70 K C 0.735 177.352 176.600 0.027 0.000 1.052 70 K CA 0.653 56.963 56.287 0.039 0.000 1.114 70 K CB -1.472 31.048 32.500 0.033 0.000 0.869 70 K HN 0.858 nan 8.250 nan 0.000 0.481 71 G N 2.676 111.490 108.800 0.023 0.000 2.374 71 G HA2 -0.231 3.728 3.960 -0.003 0.000 0.289 71 G HA3 -0.231 3.728 3.960 -0.003 0.000 0.289 71 G C -0.724 174.181 174.900 0.008 0.000 1.004 71 G CA -0.076 45.032 45.100 0.014 0.000 1.292 71 G HN 0.694 nan 8.290 nan 0.000 0.502 72 E N -0.100 120.103 120.200 0.005 0.000 2.272 72 E HA 0.468 4.816 4.350 -0.003 0.000 0.269 72 E C 1.027 177.622 176.600 -0.008 0.000 0.877 72 E CA -0.046 56.350 56.400 -0.006 0.000 0.755 72 E CB 1.775 31.463 29.700 -0.019 0.000 1.192 72 E HN 0.246 nan 8.360 nan 0.000 0.422 73 S N 3.507 119.199 115.700 -0.013 0.000 2.380 73 S HA -0.141 4.327 4.470 -0.003 0.000 0.217 73 S C 0.827 175.421 174.600 -0.010 0.000 1.036 73 S CA 1.525 59.716 58.200 -0.014 0.000 1.050 73 S CB 0.108 63.297 63.200 -0.018 0.000 1.016 73 S HN 0.512 nan 8.310 nan 0.000 0.419 74 K N -0.091 120.303 120.400 -0.009 0.000 2.307 74 K HA 0.500 4.819 4.320 -0.003 0.000 0.239 74 K C -1.117 175.497 176.600 0.024 0.000 1.083 74 K CA -0.966 55.330 56.287 0.015 0.000 0.913 74 K CB -0.085 32.418 32.500 0.004 0.000 1.322 74 K HN 0.041 nan 8.250 nan 0.000 0.514 75 D N 0.658 121.111 120.400 0.088 0.000 2.372 75 D HA 0.245 4.883 4.640 -0.003 0.000 0.243 75 D C -0.119 176.217 176.300 0.059 0.000 1.121 75 D CA -0.063 53.975 54.000 0.064 0.000 0.898 75 D CB 0.681 41.569 40.800 0.147 0.000 1.202 75 D HN 0.296 nan 8.370 nan 0.000 0.428 76 L N 1.182 122.250 121.223 -0.259 0.000 2.358 76 L HA 0.470 4.809 4.340 -0.003 0.000 0.268 76 L C -0.401 176.348 176.870 -0.201 0.000 1.032 76 L CA -1.147 53.530 54.840 -0.272 0.000 0.805 76 L CB 1.204 42.907 42.059 -0.593 0.000 1.253 76 L HN 0.129 nan 8.230 nan 0.000 0.452 77 L N 1.226 122.475 121.223 0.042 0.000 2.325 77 L HA 0.477 4.816 4.340 -0.003 0.000 0.281 77 L C -1.045 176.027 176.870 0.337 0.000 1.004 77 L CA -0.059 54.821 54.840 0.067 0.000 0.823 77 L CB 1.320 43.201 42.059 -0.298 0.000 1.236 77 L HN 0.288 nan 8.230 nan 0.000 0.415 78 F N 6.533 126.645 119.950 0.270 0.000 2.420 78 F HA 0.678 5.204 4.527 -0.003 0.000 0.342 78 F C -0.863 174.954 175.800 0.028 0.000 1.113 78 F CA -0.851 57.238 58.000 0.149 0.000 1.059 78 F CB 0.857 39.879 39.000 0.036 0.000 1.128 78 F HN 0.262 nan 8.300 nan 0.000 0.475 79 I N 7.823 127.881 120.570 -0.853 0.000 2.478 79 I HA 0.294 4.462 4.170 -0.003 0.000 0.287 79 I C -1.564 174.001 176.117 -0.919 0.000 1.042 79 I CA -0.845 60.028 61.300 -0.713 0.000 1.067 79 I CB 1.774 39.571 38.000 -0.338 0.000 1.233 79 I HN 0.490 nan 8.210 nan 0.000 0.431 80 L N 6.488 127.269 121.223 -0.738 0.000 2.325 80 L HA 0.507 4.845 4.340 -0.003 0.000 0.281 80 L C 0.095 176.809 176.870 -0.258 0.000 1.004 80 L CA 0.158 54.732 54.840 -0.444 0.000 0.823 80 L CB 1.733 43.618 42.059 -0.290 0.000 1.236 80 L HN 0.506 nan 8.230 nan 0.000 0.415 81 T N 3.879 118.316 114.554 -0.195 0.000 2.918 81 T HA 0.306 4.654 4.350 -0.003 0.000 0.302 81 T C 1.419 175.993 174.700 -0.210 0.000 1.045 81 T CA 0.427 62.432 62.100 -0.158 0.000 1.114 81 T CB 1.464 70.276 68.868 -0.095 0.000 0.965 81 T HN 0.818 nan 8.240 nan 0.000 0.540 82 A N 3.052 125.762 122.820 -0.184 0.000 1.978 82 A HA -0.068 4.251 4.320 -0.003 0.000 0.220 82 A C 1.904 179.244 177.584 -0.405 0.000 1.170 82 A CA 1.408 53.288 52.037 -0.262 0.000 0.636 82 A CB -0.340 18.620 19.000 -0.067 0.000 0.810 82 A HN 0.778 nan 8.150 nan 0.000 0.448 83 K N -1.572 118.733 120.400 -0.157 0.000 2.546 83 K HA 0.169 4.488 4.320 -0.003 0.000 0.198 83 K C -0.832 175.883 176.600 0.192 0.000 1.028 83 K CA -0.061 56.220 56.287 -0.010 0.000 1.150 83 K CB -0.346 32.238 32.500 0.141 0.000 0.876 83 K HN 0.553 nan 8.250 nan 0.000 0.508 84 Y N -2.585 117.764 120.300 0.083 0.000 4.490 84 Y HA -0.298 4.251 4.550 -0.003 0.000 0.233 84 Y C -0.721 175.185 175.900 0.011 0.000 1.101 84 Y CA -0.082 58.044 58.100 0.042 0.000 2.010 84 Y CB -2.878 35.619 38.460 0.062 0.000 1.622 84 Y HN 0.189 nan 8.280 nan 0.000 0.675 85 N N 1.306 120.053 118.700 0.080 0.000 2.420 85 N HA 0.515 5.253 4.740 -0.003 0.000 0.262 85 N C 0.173 175.683 175.510 -0.000 0.000 1.144 85 N CA 0.493 53.551 53.050 0.014 0.000 0.952 85 N CB 0.882 39.359 38.487 -0.016 0.000 1.081 85 N HN 0.461 nan 8.380 nan 0.000 0.480 86 A N 1.520 124.371 122.820 0.052 0.000 2.269 86 A HA 0.834 5.152 4.320 -0.003 0.000 0.319 86 A C -0.022 177.629 177.584 0.112 0.000 1.110 86 A CA -0.578 51.513 52.037 0.090 0.000 0.847 86 A CB 0.387 19.535 19.000 0.247 0.000 1.161 86 A HN 0.952 nan 8.150 nan 0.000 0.497 87 C N -0.729 118.653 119.300 0.136 0.000 3.224 87 C HA 0.649 5.108 4.460 -0.003 0.000 0.348 87 C C -1.220 173.925 174.990 0.259 0.000 1.242 87 C CA -0.847 58.278 59.018 0.180 0.000 1.180 87 C CB -0.374 27.415 27.740 0.081 0.000 1.458 87 C HN 0.792 nan 8.230 nan 0.000 0.485 88 I N 2.250 122.983 120.570 0.272 0.000 2.436 88 I HA 0.596 4.764 4.170 -0.003 0.000 0.289 88 I C -0.558 175.681 176.117 0.202 0.000 1.010 88 I CA -0.554 60.937 61.300 0.319 0.000 1.098 88 I CB 1.619 39.821 38.000 0.337 0.000 1.266 88 I HN 0.588 nan 8.210 nan 0.000 0.434 89 L N 5.535 126.872 121.223 0.190 0.000 2.333 89 L HA 0.619 4.958 4.340 -0.003 0.000 0.269 89 L C -0.346 176.675 176.870 0.252 0.000 1.010 89 L CA -0.704 54.239 54.840 0.172 0.000 0.818 89 L CB 2.238 44.386 42.059 0.148 0.000 1.306 89 L HN 0.562 nan 8.230 nan 0.000 0.430 90 E N 0.742 121.057 120.200 0.192 0.000 2.238 90 E HA 0.235 4.584 4.350 -0.003 0.000 0.267 90 E C -1.894 174.727 176.600 0.034 0.000 0.887 90 E CA -0.747 55.737 56.400 0.141 0.000 0.769 90 E CB 2.383 32.104 29.700 0.035 0.000 1.187 90 E HN 0.495 nan 8.360 nan 0.000 0.416 91 Y N 4.037 124.113 120.300 -0.372 0.000 2.535 91 Y HA 0.230 4.778 4.550 -0.003 0.000 0.349 91 Y C -0.560 175.153 175.900 -0.313 0.000 0.992 91 Y CA -0.274 57.519 58.100 -0.513 0.000 1.248 91 Y CB 0.420 38.169 38.460 -1.185 0.000 1.124 91 Y HN 0.257 nan 8.280 nan 0.000 0.520 92 K N 5.529 125.619 120.400 -0.518 0.000 2.281 92 K HA 0.152 4.471 4.320 -0.003 0.000 0.272 92 K C 0.091 176.384 176.600 -0.512 0.000 1.048 92 K CA -0.383 55.676 56.287 -0.380 0.000 0.898 92 K CB 0.974 33.337 32.500 -0.228 0.000 1.128 92 K HN 0.792 nan 8.250 nan 0.000 0.460 93 Q N 2.766 122.332 119.800 -0.390 0.000 2.212 93 Q HA -0.030 4.309 4.340 -0.003 0.000 0.213 93 Q C 1.143 177.046 176.000 -0.162 0.000 0.874 93 Q CA 0.110 55.741 55.803 -0.286 0.000 0.965 93 Q CB 0.276 28.960 28.738 -0.091 0.000 1.074 93 Q HN 0.893 nan 8.270 nan 0.000 0.473 94 S N -1.503 114.103 115.700 -0.157 0.000 2.426 94 S HA -0.277 4.192 4.470 -0.003 0.000 0.259 94 S C 1.227 175.774 174.600 -0.088 0.000 1.096 94 S CA 1.614 59.750 58.200 -0.107 0.000 1.219 94 S CB -0.984 62.154 63.200 -0.103 0.000 1.124 94 S HN 0.512 nan 8.310 nan 0.000 0.436 95 G N 0.154 108.898 108.800 -0.094 0.000 3.137 95 G HA2 0.495 4.454 3.960 -0.003 0.000 0.163 95 G HA3 0.495 4.454 3.960 -0.003 0.000 0.163 95 G C 0.426 175.279 174.900 -0.078 0.000 1.602 95 G CA 0.047 45.100 45.100 -0.078 0.000 1.067 95 G HN 0.520 nan 8.290 nan 0.000 0.568 96 E N -0.546 119.608 120.200 -0.077 0.000 2.481 96 E HA 0.196 4.545 4.350 -0.003 0.000 0.198 96 E C 0.604 177.153 176.600 -0.086 0.000 1.027 96 E CA -0.093 56.259 56.400 -0.079 0.000 0.900 96 E CB 0.667 30.319 29.700 -0.079 0.000 0.993 96 E HN 0.318 nan 8.360 nan 0.000 0.482 97 S N 0.829 116.474 115.700 -0.092 0.000 2.664 97 S HA 0.626 5.094 4.470 -0.003 0.000 0.304 97 S C -0.111 174.406 174.600 -0.138 0.000 1.099 97 S CA -1.021 57.119 58.200 -0.101 0.000 1.003 97 S CB 1.249 64.394 63.200 -0.092 0.000 1.092 97 S HN 0.207 nan 8.310 nan 0.000 0.525 98 I N -0.251 120.225 120.570 -0.158 0.000 2.465 98 I HA 0.668 4.836 4.170 -0.003 0.000 0.291 98 I C -1.460 174.496 176.117 -0.269 0.000 1.014 98 I CA -0.725 60.415 61.300 -0.267 0.000 1.093 98 I CB 1.969 39.828 38.000 -0.235 0.000 1.267 98 I HN 0.482 nan 8.210 nan 0.000 0.431 99 D N 5.988 126.173 120.400 -0.358 0.000 2.601 99 D HA 0.558 5.197 4.640 -0.003 0.000 0.230 99 D C -0.695 175.450 176.300 -0.258 0.000 1.106 99 D CA -0.278 53.571 54.000 -0.251 0.000 0.873 99 D CB 3.446 44.139 40.800 -0.179 0.000 1.515 99 D HN 0.494 nan 8.370 nan 0.000 0.468 100 I N 2.093 122.583 120.570 -0.134 0.000 2.371 100 I HA 0.289 4.458 4.170 -0.003 0.000 0.282 100 I C 0.005 176.096 176.117 -0.043 0.000 1.031 100 I CA -0.664 60.606 61.300 -0.050 0.000 1.180 100 I CB 1.145 39.160 38.000 0.024 0.000 1.336 100 I HN 0.148 nan 8.210 nan 0.000 0.467 101 I N 5.072 125.620 120.570 -0.037 0.000 2.472 101 I HA 0.196 4.364 4.170 -0.003 0.000 0.290 101 I C 0.408 176.527 176.117 0.005 0.000 1.016 101 I CA 0.484 61.766 61.300 -0.030 0.000 1.348 101 I CB 1.318 39.294 38.000 -0.039 0.000 1.417 101 I HN 0.442 nan 8.210 nan 0.000 0.521 102 T N 7.537 122.086 114.554 -0.008 0.000 2.875 102 T HA 0.263 4.612 4.350 -0.003 0.000 0.307 102 T C 1.318 176.052 174.700 0.057 0.000 1.013 102 T CA -0.420 61.690 62.100 0.016 0.000 0.970 102 T CB 0.222 69.061 68.868 -0.049 0.000 0.986 102 T HN 0.487 nan 8.240 nan 0.000 0.536 103 R N 1.537 122.086 120.500 0.082 0.000 2.148 103 R HA 0.209 4.547 4.340 -0.003 0.000 0.227 103 R C 0.870 177.238 176.300 0.113 0.000 1.103 103 R CA 0.408 56.560 56.100 0.087 0.000 0.983 103 R CB 0.003 30.356 30.300 0.089 0.000 0.874 103 R HN 0.696 nan 8.270 nan 0.000 0.451 104 A N -0.109 122.803 122.820 0.154 0.000 2.536 104 A HA 0.581 4.900 4.320 -0.003 0.000 0.293 104 A C -1.367 176.376 177.584 0.264 0.000 1.119 104 A CA -0.658 51.484 52.037 0.175 0.000 0.654 104 A CB 1.445 20.520 19.000 0.125 0.000 1.291 104 A HN 0.467 nan 8.150 nan 0.000 0.439 105 H N -1.238 117.865 119.070 0.054 0.000 2.898 105 H HA 0.544 5.098 4.556 -0.003 0.000 0.259 105 H C -0.823 174.519 175.328 0.023 0.000 1.324 105 H CA -0.139 55.935 56.048 0.043 0.000 1.474 105 H CB 0.468 30.241 29.762 0.017 0.000 1.873 105 H HN 2.377 nan 8.280 nan 0.000 0.482 106 G N 1.241 109.962 108.800 -0.132 0.000 2.411 106 G HA2 0.164 4.122 3.960 -0.003 0.000 0.295 106 G HA3 0.164 4.122 3.960 -0.003 0.000 0.295 106 G C -1.859 173.019 174.900 -0.037 0.000 1.542 106 G CA -0.880 44.115 45.100 -0.174 0.000 0.814 106 G HN 0.673 nan 8.290 nan 0.000 0.557 107 N N 0.350 119.015 118.700 -0.058 0.000 2.419 107 N HA 0.270 5.008 4.740 -0.003 0.000 0.264 107 N C 1.177 176.695 175.510 0.013 0.000 1.031 107 N CA 0.066 53.099 53.050 -0.027 0.000 0.951 107 N CB 1.778 40.199 38.487 -0.111 0.000 1.101 107 N HN 0.892 nan 8.380 nan 0.000 0.488 108 V N 1.474 121.431 119.914 0.071 0.000 3.542 108 V HA 0.214 4.332 4.120 -0.003 0.000 0.296 108 V C 0.907 177.007 176.094 0.010 0.000 1.364 108 V CA -0.361 61.967 62.300 0.047 0.000 1.118 108 V CB -0.858 31.000 31.823 0.058 0.000 0.972 108 V HN 0.633 nan 8.190 nan 0.000 0.430 109 Q N 1.460 121.255 119.800 -0.008 0.000 2.354 109 Q HA -0.003 4.335 4.340 -0.003 0.000 0.310 109 Q C -0.715 175.256 176.000 -0.048 0.000 1.104 109 Q CA 1.003 56.692 55.803 -0.191 0.000 0.968 109 Q CB 0.372 29.086 28.738 -0.039 0.000 1.251 109 Q HN 0.619 nan 8.270 nan 0.000 0.411 110 D N 2.580 122.984 120.400 0.007 0.000 2.375 110 D HA 0.129 4.767 4.640 -0.003 0.000 0.247 110 D C 0.237 176.386 176.300 -0.252 0.000 1.061 110 D CA -0.453 53.491 54.000 -0.094 0.000 0.834 110 D CB 1.714 42.483 40.800 -0.053 0.000 1.247 110 D HN 0.469 nan 8.370 nan 0.000 0.489 111 R N 1.666 122.076 120.500 -0.150 0.000 2.139 111 R HA -0.064 4.275 4.340 -0.003 0.000 0.243 111 R C 0.914 177.096 176.300 -0.197 0.000 1.145 111 R CA 1.219 57.242 56.100 -0.129 0.000 0.976 111 R CB -0.472 29.786 30.300 -0.070 0.000 0.866 111 R HN 0.640 nan 8.270 nan 0.000 0.449 112 I N -3.027 117.392 120.570 -0.251 0.000 3.078 112 I HA 0.569 4.737 4.170 -0.003 0.000 0.318 112 I C 0.392 176.184 176.117 -0.542 0.000 1.016 112 I CA -0.436 60.697 61.300 -0.279 0.000 1.130 112 I CB 0.970 38.867 38.000 -0.172 0.000 1.397 112 I HN 0.222 nan 8.210 nan 0.000 0.570 113 G N 2.187 110.753 108.800 -0.389 0.000 3.039 113 G HA2 -0.108 3.850 3.960 -0.003 0.000 0.686 113 G HA3 -0.108 3.850 3.960 -0.003 0.000 0.686 113 G C -0.618 174.102 174.900 -0.300 0.000 1.066 113 G CA -0.643 44.211 45.100 -0.409 0.000 0.774 113 G HN 1.101 nan 8.290 nan 0.000 0.591 114 R N 2.483 122.984 120.500 0.001 0.000 2.265 114 R HA 0.575 4.914 4.340 -0.003 0.000 0.314 114 R C -2.546 173.934 176.300 0.300 0.000 1.053 114 R CA -1.812 54.358 56.100 0.117 0.000 0.931 114 R CB 0.859 31.199 30.300 0.068 0.000 1.024 114 R HN 0.304 nan 8.270 nan 0.000 0.457 115 P HA -0.086 nan 4.420 nan 0.000 0.258 115 P C -0.337 177.074 177.300 0.185 0.000 1.172 115 P CA 0.439 63.726 63.100 0.312 0.000 0.762 115 P CB 0.751 32.607 31.700 0.259 0.000 0.764 116 S N 1.919 117.712 115.700 0.154 0.000 2.593 116 S HA 0.044 4.512 4.470 -0.003 0.000 0.269 116 S C 0.238 174.905 174.600 0.112 0.000 1.334 116 S CA -0.500 57.780 58.200 0.133 0.000 1.015 116 S CB 0.198 63.473 63.200 0.125 0.000 0.912 116 S HN 0.432 nan 8.310 nan 0.000 0.541 117 E N 0.479 120.752 120.200 0.122 0.000 2.313 117 E HA 0.223 4.571 4.350 -0.003 0.000 0.276 117 E C 0.594 177.281 176.600 0.144 0.000 1.031 117 E CA 0.679 57.149 56.400 0.117 0.000 0.857 117 E CB 0.384 30.147 29.700 0.105 0.000 1.040 117 E HN 0.946 nan 8.360 nan 0.000 0.408 118 T N 0.408 115.022 114.554 0.100 0.000 5.983 118 T HA -0.181 4.168 4.350 -0.003 0.000 0.274 118 T C 0.636 175.372 174.700 0.060 0.000 2.195 118 T CA 0.861 63.007 62.100 0.076 0.000 3.709 118 T CB -2.375 66.536 68.868 0.071 0.000 0.873 118 T HN 1.689 nan 8.240 nan 0.000 1.045 119 G N 1.370 110.208 108.800 0.064 0.000 2.725 119 G HA2 -0.031 3.927 3.960 -0.003 0.000 0.220 119 G HA3 -0.031 3.927 3.960 -0.003 0.000 0.220 119 G C -0.314 174.607 174.900 0.034 0.000 1.357 119 G CA -0.517 44.612 45.100 0.049 0.000 0.866 119 G HN 1.333 nan 8.290 nan 0.000 0.548 120 I N 0.509 121.085 120.570 0.011 0.000 2.742 120 I HA 0.136 4.305 4.170 -0.003 0.000 0.287 120 I C 0.814 176.938 176.117 0.011 0.000 1.186 120 I CA 0.726 62.023 61.300 -0.005 0.000 1.417 120 I CB -0.068 37.904 38.000 -0.046 0.000 1.377 120 I HN 0.312 nan 8.210 nan 0.000 0.556 121 I N 5.434 126.020 120.570 0.026 0.000 2.474 121 I HA 0.556 4.725 4.170 -0.003 0.000 0.294 121 I C 0.442 176.594 176.117 0.058 0.000 1.005 121 I CA -0.323 61.003 61.300 0.044 0.000 1.113 121 I CB 2.022 40.054 38.000 0.053 0.000 1.289 121 I HN 0.596 nan 8.210 nan 0.000 0.436 122 G N 6.421 115.270 108.800 0.082 0.000 2.591 122 G HA2 0.835 4.793 3.960 -0.003 0.000 0.306 122 G HA3 0.835 4.793 3.960 -0.003 0.000 0.306 122 G C -1.130 173.846 174.900 0.127 0.000 1.334 122 G CA -0.490 44.683 45.100 0.122 0.000 0.981 122 G HN 0.670 nan 8.290 nan 0.000 0.491 123 I N -1.412 119.232 120.570 0.123 0.000 2.913 123 I HA 0.731 4.899 4.170 -0.003 0.000 0.302 123 I C -1.471 174.781 176.117 0.226 0.000 1.246 123 I CA -1.443 59.965 61.300 0.179 0.000 1.010 123 I CB 2.602 40.704 38.000 0.171 0.000 1.259 123 I HN 0.333 nan 8.210 nan 0.000 0.434 124 I N 2.500 123.185 120.570 0.192 0.000 2.499 124 I HA 0.257 4.425 4.170 -0.003 0.000 0.288 124 I C -0.812 175.227 176.117 -0.130 0.000 1.048 124 I CA -0.424 60.850 61.300 -0.044 0.000 1.062 124 I CB 2.051 39.914 38.000 -0.228 0.000 1.238 124 I HN 0.770 nan 8.210 nan 0.000 0.426 125 D N 7.899 127.885 120.400 -0.691 0.000 2.472 125 D HA 0.052 4.690 4.640 -0.003 0.000 0.237 125 D C -1.777 174.297 176.300 -0.378 0.000 1.141 125 D CA -0.756 52.707 54.000 -0.895 0.000 0.875 125 D CB 1.169 41.179 40.800 -1.316 0.000 1.192 125 D HN 0.191 nan 8.370 nan 0.000 0.450 126 P HA -0.167 nan 4.420 nan 0.000 0.215 126 P C 0.539 177.805 177.300 -0.058 0.000 1.157 126 P CA 1.255 64.248 63.100 -0.178 0.000 0.874 126 P CB 0.033 31.585 31.700 -0.246 0.000 0.790 127 E N -1.842 118.305 120.200 -0.089 0.000 2.510 127 E HA -0.113 4.235 4.350 -0.003 0.000 0.202 127 E C 0.258 176.833 176.600 -0.041 0.000 1.072 127 E CA 0.211 56.585 56.400 -0.043 0.000 0.883 127 E CB -0.755 28.912 29.700 -0.054 0.000 0.818 127 E HN 0.150 nan 8.360 nan 0.000 0.548 128 C N 0.072 119.330 119.300 -0.071 0.000 4.233 128 C HA -0.241 4.217 4.460 -0.003 0.000 0.292 128 C C 1.737 176.672 174.990 -0.091 0.000 1.469 128 C CA 0.598 59.589 59.018 -0.046 0.000 2.013 128 C CB -2.110 25.695 27.740 0.108 0.000 1.282 128 C HN 0.526 nan 8.230 nan 0.000 0.796 129 R N -0.120 120.291 120.500 -0.148 0.000 2.075 129 R HA 0.001 4.340 4.340 -0.003 0.000 0.232 129 R C 0.923 177.132 176.300 -0.152 0.000 1.126 129 R CA 1.760 57.788 56.100 -0.121 0.000 0.963 129 R CB -0.018 30.218 30.300 -0.107 0.000 0.858 129 R HN 0.857 nan 8.270 nan 0.000 0.435 130 M N -1.954 117.491 119.600 -0.258 0.000 2.813 130 M HA 0.447 4.926 4.480 -0.003 0.000 0.270 130 M C -1.389 174.717 176.300 -0.324 0.000 1.267 130 M CA -0.838 54.315 55.300 -0.246 0.000 0.822 130 M CB 2.083 34.592 32.600 -0.153 0.000 1.671 130 M HN -0.262 nan 8.290 nan 0.000 0.468 131 I N 1.318 121.708 120.570 -0.300 0.000 2.389 131 I HA 0.592 4.760 4.170 -0.003 0.000 0.288 131 I C 0.052 176.051 176.117 -0.197 0.000 0.999 131 I CA -0.680 60.425 61.300 -0.326 0.000 1.129 131 I CB 1.911 39.544 38.000 -0.612 0.000 1.288 131 I HN 0.907 nan 8.210 nan 0.000 0.444 132 G N 6.812 115.647 108.800 0.058 0.000 2.332 132 G HA2 0.647 4.605 3.960 -0.003 0.000 0.310 132 G HA3 0.647 4.605 3.960 -0.003 0.000 0.310 132 G C -1.091 173.641 174.900 -0.281 0.000 1.123 132 G CA -0.290 44.701 45.100 -0.181 0.000 0.873 132 G HN 0.276 nan 8.290 nan 0.000 0.460 133 L N 2.134 123.005 121.223 -0.587 0.000 2.362 133 L HA 0.552 4.890 4.340 -0.003 0.000 0.275 133 L C 0.013 176.751 176.870 -0.220 0.000 0.998 133 L CA -0.946 53.728 54.840 -0.275 0.000 0.820 133 L CB 2.056 43.985 42.059 -0.217 0.000 1.270 133 L HN 0.411 nan 8.230 nan 0.000 0.415 134 R N 4.001 124.500 120.500 -0.001 0.000 2.287 134 R HA 0.438 4.776 4.340 -0.003 0.000 0.316 134 R C -0.172 176.113 176.300 -0.025 0.000 1.050 134 R CA -0.097 56.042 56.100 0.065 0.000 0.983 134 R CB 0.372 30.753 30.300 0.135 0.000 1.140 134 R HN 0.779 nan 8.270 nan 0.000 0.528 135 L N 3.131 124.271 121.223 -0.138 0.000 2.362 135 L HA 0.285 4.624 4.340 -0.003 0.000 0.204 135 L C -0.029 176.617 176.870 -0.375 0.000 1.060 135 L CA 0.515 55.145 54.840 -0.351 0.000 0.827 135 L CB 0.088 41.695 42.059 -0.752 0.000 1.027 135 L HN 0.381 nan 8.230 nan 0.000 0.474 136 Y N -0.774 119.571 120.300 0.076 0.000 2.499 136 Y HA 0.294 4.842 4.550 -0.003 0.000 0.347 136 Y C -0.223 175.713 175.900 0.060 0.000 0.987 136 Y CA -1.527 56.609 58.100 0.060 0.000 1.044 136 Y CB 1.193 39.664 38.460 0.018 0.000 1.245 136 Y HN -0.133 nan 8.280 nan 0.000 0.461 137 D N 1.103 121.639 120.400 0.226 0.000 2.472 137 D HA 0.152 4.791 4.640 -0.003 0.000 0.237 137 D C 1.030 177.407 176.300 0.129 0.000 1.141 137 D CA 1.946 56.037 54.000 0.152 0.000 0.875 137 D CB 1.044 41.920 40.800 0.127 0.000 1.192 137 D HN 0.952 nan 8.370 nan 0.000 0.450 138 G N 1.605 110.464 108.800 0.098 0.000 2.153 138 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.252 138 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.252 138 G C 0.089 175.042 174.900 0.089 0.000 0.994 138 G CA 0.125 45.270 45.100 0.075 0.000 0.698 138 G HN 0.441 nan 8.290 nan 0.000 0.521 139 L N -1.379 119.918 121.223 0.124 0.000 2.482 139 L HA 0.686 5.025 4.340 -0.003 0.000 0.263 139 L C -1.157 175.830 176.870 0.196 0.000 0.957 139 L CA -1.113 53.813 54.840 0.142 0.000 0.836 139 L CB 2.113 44.263 42.059 0.150 0.000 1.324 139 L HN 0.070 nan 8.230 nan 0.000 0.406 140 F N 3.881 123.827 119.950 -0.006 0.000 2.496 140 F HA 0.430 4.956 4.527 -0.003 0.000 0.341 140 F C -0.221 175.507 175.800 -0.121 0.000 1.134 140 F CA -0.721 57.257 58.000 -0.037 0.000 0.968 140 F CB 1.210 40.253 39.000 0.071 0.000 1.205 140 F HN 0.251 nan 8.300 nan 0.000 0.436 141 K N 5.787 125.850 120.400 -0.561 0.000 2.258 141 K HA 0.574 4.892 4.320 -0.003 0.000 0.284 141 K C -1.408 174.677 176.600 -0.858 0.000 1.051 141 K CA -0.437 55.514 56.287 -0.559 0.000 0.923 141 K CB 0.966 33.269 32.500 -0.329 0.000 1.046 141 K HN 0.507 nan 8.250 nan 0.000 0.474 142 V N 6.628 125.969 119.914 -0.955 0.000 2.398 142 V HA 0.352 4.471 4.120 -0.003 0.000 0.286 142 V C -0.063 175.584 176.094 -0.746 0.000 1.026 142 V CA -0.774 60.959 62.300 -0.947 0.000 0.868 142 V CB 1.333 32.437 31.823 -1.198 0.000 0.982 142 V HN 0.673 nan 8.190 nan 0.000 0.443 143 I N 7.458 127.758 120.570 -0.449 0.000 2.328 143 I HA 0.362 4.530 4.170 -0.003 0.000 0.287 143 I C -2.402 173.598 176.117 -0.195 0.000 1.012 143 I CA -1.957 59.174 61.300 -0.282 0.000 1.195 143 I CB 1.920 39.755 38.000 -0.275 0.000 1.350 143 I HN 0.433 nan 8.210 nan 0.000 0.464 144 P HA 0.143 nan 4.420 nan 0.000 0.276 144 P C -0.852 176.418 177.300 -0.050 0.000 1.230 144 P CA -0.380 62.707 63.100 -0.022 0.000 0.776 144 P CB 0.639 32.382 31.700 0.072 0.000 0.888 145 L N 4.921 126.108 121.223 -0.059 0.000 2.272 145 L HA 0.370 4.709 4.340 -0.003 0.000 0.284 145 L C 0.082 176.953 176.870 0.001 0.000 1.045 145 L CA 0.264 55.080 54.840 -0.039 0.000 0.842 145 L CB -0.280 41.739 42.059 -0.066 0.000 1.224 145 L HN 0.432 nan 8.230 nan 0.000 0.430 146 D N 0.359 120.767 120.400 0.014 0.000 2.652 146 D HA 0.378 5.016 4.640 -0.003 0.000 0.285 146 D C 0.734 177.052 176.300 0.029 0.000 1.173 146 D CA -0.852 53.160 54.000 0.021 0.000 0.981 146 D CB 0.853 41.661 40.800 0.014 0.000 1.440 146 D HN -0.040 nan 8.370 nan 0.000 0.485 147 R N -0.384 120.131 120.500 0.026 0.000 2.193 147 R HA -0.041 4.298 4.340 -0.003 0.000 0.229 147 R C -0.435 175.880 176.300 0.026 0.000 1.110 147 R CA 1.151 57.267 56.100 0.028 0.000 0.988 147 R CB -0.287 30.026 30.300 0.021 0.000 0.871 147 R HN 0.530 nan 8.270 nan 0.000 0.458 148 D N -0.674 119.738 120.400 0.020 0.000 2.530 148 D HA 0.064 4.702 4.640 -0.003 0.000 0.282 148 D C 0.429 176.739 176.300 0.016 0.000 1.204 148 D CA -0.470 53.539 54.000 0.016 0.000 1.093 148 D CB 0.117 40.923 40.800 0.010 0.000 1.154 148 D HN -0.127 nan 8.370 nan 0.000 0.593 149 N N -0.541 118.164 118.700 0.009 0.000 2.815 149 N HA -0.169 4.569 4.740 -0.003 0.000 0.248 149 N C -0.173 175.339 175.510 0.004 0.000 1.110 149 N CA 0.299 53.350 53.050 0.002 0.000 0.699 149 N CB -1.081 37.407 38.487 0.001 0.000 1.040 149 N HN 0.314 nan 8.380 nan 0.000 0.555 150 K N 0.078 120.484 120.400 0.010 0.000 2.585 150 K HA -0.039 4.280 4.320 -0.003 0.000 0.194 150 K C 0.830 177.417 176.600 -0.021 0.000 1.037 150 K CA 0.921 57.222 56.287 0.022 0.000 0.964 150 K CB 0.094 32.616 32.500 0.036 0.000 0.787 150 K HN 0.470 nan 8.250 nan 0.000 0.488 151 E N -0.009 120.158 120.200 -0.055 0.000 2.526 151 E HA 0.120 4.469 4.350 -0.003 0.000 0.208 151 E C -0.473 176.070 176.600 -0.095 0.000 0.997 151 E CA -0.103 56.221 56.400 -0.127 0.000 0.961 151 E CB 0.314 29.944 29.700 -0.117 0.000 1.030 151 E HN 0.100 nan 8.360 nan 0.000 0.483 152 L N 1.516 122.711 121.223 -0.047 0.000 3.739 152 L HA -0.276 4.062 4.340 -0.003 0.000 0.442 152 L C -0.480 176.364 176.870 -0.044 0.000 1.241 152 L CA 0.498 55.314 54.840 -0.040 0.000 0.819 152 L CB -1.744 40.302 42.059 -0.021 0.000 1.679 152 L HN 0.033 nan 8.230 nan 0.000 0.889 153 K N 0.678 121.058 120.400 -0.033 0.000 2.489 153 K HA 0.486 4.804 4.320 -0.003 0.000 0.278 153 K C 0.669 177.265 176.600 -0.005 0.000 1.000 153 K CA 0.705 56.983 56.287 -0.015 0.000 1.012 153 K CB 0.607 33.106 32.500 -0.001 0.000 0.903 153 K HN 0.450 nan 8.250 nan 0.000 0.485 154 A N 2.541 125.358 122.820 -0.005 0.000 2.524 154 A HA 0.831 5.149 4.320 -0.003 0.000 0.286 154 A C -1.351 176.269 177.584 0.060 0.000 1.203 154 A CA -0.875 51.135 52.037 -0.045 0.000 0.736 154 A CB 0.850 19.754 19.000 -0.160 0.000 1.322 154 A HN 0.635 nan 8.150 nan 0.000 0.424 155 F N -1.196 118.694 119.950 -0.101 0.000 2.599 155 F HA 0.719 5.245 4.527 -0.003 0.000 0.311 155 F C -0.669 175.064 175.800 -0.113 0.000 1.076 155 F CA -1.045 56.898 58.000 -0.095 0.000 0.937 155 F CB 1.013 39.958 39.000 -0.093 0.000 1.282 155 F HN 0.529 nan 8.300 nan 0.000 0.460 156 N N 1.106 119.842 118.700 0.060 0.000 2.495 156 N HA 0.720 5.458 4.740 -0.003 0.000 0.280 156 N C -1.370 174.182 175.510 0.071 0.000 1.168 156 N CA -0.689 52.348 53.050 -0.021 0.000 0.978 156 N CB 1.817 40.310 38.487 0.011 0.000 1.191 156 N HN 0.546 nan 8.380 nan 0.000 0.497 157 I N 0.455 121.016 120.570 -0.015 0.000 2.533 157 I HA 0.277 4.446 4.170 -0.003 0.000 0.290 157 I C -0.001 176.100 176.117 -0.028 0.000 1.056 157 I CA -0.836 60.410 61.300 -0.091 0.000 1.057 157 I CB 1.885 39.624 38.000 -0.436 0.000 1.240 157 I HN 0.362 nan 8.210 nan 0.000 0.423 158 R N 5.586 126.075 120.500 -0.019 0.000 2.538 158 R HA 0.206 4.544 4.340 -0.003 0.000 0.282 158 R C -1.066 175.300 176.300 0.109 0.000 1.009 158 R CA 0.087 56.208 56.100 0.036 0.000 1.063 158 R CB 0.446 30.756 30.300 0.018 0.000 0.945 158 R HN 0.583 nan 8.270 nan 0.000 0.414 159 L N 4.473 125.763 121.223 0.111 0.000 2.264 159 L HA 0.116 4.454 4.340 -0.003 0.000 0.287 159 L C 0.994 177.871 176.870 0.011 0.000 1.039 159 L CA -0.289 54.593 54.840 0.070 0.000 0.829 159 L CB 1.358 43.420 42.059 0.005 0.000 1.211 159 L HN 0.734 nan 8.230 nan 0.000 0.427 160 E N 2.008 122.210 120.200 0.003 0.000 2.171 160 E HA -0.193 4.156 4.350 -0.003 0.000 0.197 160 E C -0.028 176.571 176.600 -0.002 0.000 0.997 160 E CA 1.198 57.608 56.400 0.017 0.000 0.810 160 E CB 0.138 29.863 29.700 0.042 0.000 0.738 160 E HN 0.484 nan 8.360 nan 0.000 0.467 161 E N 0.171 120.337 120.200 -0.056 0.000 1.932 161 E HA 0.055 4.403 4.350 -0.003 0.000 0.275 161 E C 0.879 177.489 176.600 0.018 0.000 1.159 161 E CA -0.138 56.211 56.400 -0.085 0.000 0.905 161 E CB 0.294 29.801 29.700 -0.322 0.000 1.059 161 E HN 0.067 nan 8.360 nan 0.000 0.400 162 L N 1.273 122.549 121.223 0.088 0.000 2.149 162 L HA -0.225 4.113 4.340 -0.003 0.000 0.223 162 L C 1.133 178.126 176.870 0.204 0.000 1.089 162 L CA 1.760 56.680 54.840 0.134 0.000 0.800 162 L CB -1.451 40.697 42.059 0.149 0.000 0.897 162 L HN 0.576 nan 8.230 nan 0.000 0.443 163 H N -1.023 118.118 119.070 0.117 0.000 2.596 163 H HA 0.554 5.108 4.556 -0.003 0.000 0.240 163 H C -1.307 174.124 175.328 0.172 0.000 1.406 163 H CA -1.266 54.858 56.048 0.126 0.000 1.504 163 H CB 0.109 29.943 29.762 0.121 0.000 1.688 163 H HN -0.093 nan 8.280 nan 0.000 0.546 164 V N 5.530 125.496 119.914 0.086 0.000 2.555 164 V HA 0.035 4.153 4.120 -0.003 0.000 0.286 164 V C 1.258 177.335 176.094 -0.029 0.000 1.044 164 V CA 0.030 62.360 62.300 0.050 0.000 1.026 164 V CB 0.718 32.517 31.823 -0.040 0.000 0.981 164 V HN 0.656 nan 8.190 nan 0.000 0.480 165 I N 2.690 123.239 120.570 -0.034 0.000 2.296 165 I HA 0.104 4.272 4.170 -0.003 0.000 0.242 165 I C 0.745 176.868 176.117 0.010 0.000 1.087 165 I CA 1.336 62.604 61.300 -0.054 0.000 1.393 165 I CB 0.127 38.071 38.000 -0.093 0.000 1.093 165 I HN 0.764 nan 8.210 nan 0.000 0.421 166 D N -1.513 118.910 120.400 0.038 0.000 2.609 166 D HA 0.570 5.209 4.640 -0.003 0.000 0.239 166 D C -1.519 174.816 176.300 0.059 0.000 1.229 166 D CA -0.263 53.763 54.000 0.043 0.000 0.808 166 D CB 2.149 42.971 40.800 0.037 0.000 1.448 166 D HN -0.221 nan 8.370 nan 0.000 0.433 167 V N 0.953 120.886 119.914 0.032 0.000 2.808 167 V HA 0.659 4.777 4.120 -0.003 0.000 0.308 167 V C -0.617 175.458 176.094 -0.031 0.000 1.099 167 V CA -0.935 61.358 62.300 -0.011 0.000 0.920 167 V CB 1.935 33.696 31.823 -0.104 0.000 1.014 167 V HN 0.445 nan 8.190 nan 0.000 0.425 168 K N 2.453 122.820 120.400 -0.055 0.000 2.477 168 K HA 0.630 4.948 4.320 -0.003 0.000 0.255 168 K C -1.351 175.176 176.600 -0.122 0.000 0.952 168 K CA -0.663 55.600 56.287 -0.041 0.000 0.826 168 K CB 2.908 35.453 32.500 0.076 0.000 1.331 168 K HN 0.515 nan 8.250 nan 0.000 0.437 169 F N 1.844 121.793 119.950 -0.001 0.000 2.538 169 F HA 0.114 4.639 4.527 -0.003 0.000 0.371 169 F C 1.006 176.761 175.800 -0.075 0.000 1.087 169 F CA -0.405 57.569 58.000 -0.045 0.000 1.250 169 F CB 0.276 39.232 39.000 -0.074 0.000 1.110 169 F HN 0.117 nan 8.300 nan 0.000 0.570 170 L N 4.154 125.462 121.223 0.141 0.000 2.439 170 L HA 0.115 4.453 4.340 -0.003 0.000 0.269 170 L C -0.243 176.704 176.870 0.127 0.000 1.179 170 L CA -0.354 54.574 54.840 0.146 0.000 0.828 170 L CB 0.251 42.378 42.059 0.113 0.000 1.106 170 L HN 0.497 nan 8.230 nan 0.000 0.467 171 Y N 0.382 120.802 120.300 0.201 0.000 2.326 171 Y HA 0.305 4.854 4.550 -0.003 0.000 0.333 171 Y C 1.253 177.256 175.900 0.173 0.000 1.240 171 Y CA 0.742 58.949 58.100 0.180 0.000 1.365 171 Y CB 1.168 39.742 38.460 0.189 0.000 1.289 171 Y HN 0.762 nan 8.280 nan 0.000 0.548 172 G N 0.904 109.895 108.800 0.318 0.000 2.272 172 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.280 172 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.280 172 G C -0.681 174.326 174.900 0.178 0.000 1.067 172 G CA -0.201 45.036 45.100 0.228 0.000 0.902 172 G HN 0.662 nan 8.290 nan 0.000 0.500 173 C N -0.370 119.015 119.300 0.142 0.000 2.355 173 C HA 0.483 4.942 4.460 -0.003 0.000 0.332 173 C C 1.431 176.472 174.990 0.085 0.000 1.255 173 C CA -0.452 58.634 59.018 0.113 0.000 1.792 173 C CB 1.586 29.385 27.740 0.098 0.000 2.300 173 C HN 0.669 nan 8.230 nan 0.000 0.515 174 Q N 1.486 121.334 119.800 0.080 0.000 2.344 174 Q HA 0.389 4.727 4.340 -0.003 0.000 0.212 174 Q C 0.259 176.294 176.000 0.057 0.000 0.943 174 Q CA 0.217 56.059 55.803 0.065 0.000 0.955 174 Q CB 0.111 28.887 28.738 0.063 0.000 1.000 174 Q HN 0.798 nan 8.270 nan 0.000 0.488 175 A N -0.036 122.819 122.820 0.059 0.000 2.601 175 A HA 0.359 4.677 4.320 -0.003 0.000 0.303 175 A C -2.969 174.660 177.584 0.074 0.000 1.004 175 A CA -1.336 50.737 52.037 0.059 0.000 0.742 175 A CB 0.461 19.502 19.000 0.068 0.000 1.250 175 A HN -0.092 nan 8.150 nan 0.000 0.406 176 P HA 0.261 nan 4.420 nan 0.000 0.261 176 P C -0.302 177.138 177.300 0.233 0.000 1.183 176 P CA 0.925 64.100 63.100 0.124 0.000 0.761 176 P CB 0.490 32.254 31.700 0.107 0.000 0.785 177 T N 4.413 119.119 114.554 0.254 0.000 2.848 177 T HA 0.480 4.828 4.350 -0.003 0.000 0.285 177 T C -0.161 174.602 174.700 0.105 0.000 0.995 177 T CA -0.291 61.887 62.100 0.129 0.000 0.970 177 T CB 0.797 69.655 68.868 -0.016 0.000 0.976 177 T HN 0.091 nan 8.240 nan 0.000 0.441 178 I N 2.207 122.756 120.570 -0.035 0.000 2.428 178 I HA 0.543 4.711 4.170 -0.003 0.000 0.296 178 I C -0.327 175.675 176.117 -0.190 0.000 0.985 178 I CA -0.377 60.800 61.300 -0.205 0.000 1.260 178 I CB 1.024 38.807 38.000 -0.362 0.000 1.389 178 I HN 0.728 nan 8.210 nan 0.000 0.484 179 C N 8.231 127.437 119.300 -0.157 0.000 2.441 179 C HA 0.843 5.302 4.460 -0.003 0.000 0.318 179 C C -1.044 173.943 174.990 -0.004 0.000 1.222 179 C CA -0.567 58.360 59.018 -0.151 0.000 1.474 179 C CB -0.155 27.497 27.740 -0.147 0.000 2.125 179 C HN 0.634 nan 8.230 nan 0.000 0.479 180 F N 3.925 123.746 119.950 -0.216 0.000 2.665 180 F HA 0.732 5.258 4.527 -0.003 0.000 0.308 180 F C -1.512 174.257 175.800 -0.052 0.000 1.112 180 F CA -1.044 56.869 58.000 -0.144 0.000 0.972 180 F CB 0.732 39.624 39.000 -0.179 0.000 1.295 180 F HN 0.292 nan 8.300 nan 0.000 0.440 181 V N 3.976 123.935 119.914 0.076 0.000 2.407 181 V HA 0.472 4.590 4.120 -0.003 0.000 0.278 181 V C -0.635 175.577 176.094 0.196 0.000 1.037 181 V CA -0.558 61.735 62.300 -0.011 0.000 0.900 181 V CB 0.680 32.457 31.823 -0.077 0.000 0.983 181 V HN 0.864 nan 8.190 nan 0.000 0.459 182 Y N 1.958 122.268 120.300 0.017 0.000 2.634 182 Y HA 0.782 5.330 4.550 -0.003 0.000 0.340 182 Y C -0.486 175.405 175.900 -0.016 0.000 1.058 182 Y CA -1.309 56.821 58.100 0.050 0.000 1.081 182 Y CB 1.705 40.311 38.460 0.243 0.000 1.295 182 Y HN 0.471 nan 8.280 nan 0.000 0.487 183 Q N 1.779 121.600 119.800 0.035 0.000 2.333 183 Q HA 0.413 4.751 4.340 -0.003 0.000 0.267 183 Q C -1.939 174.211 176.000 0.251 0.000 1.012 183 Q CA -0.838 54.974 55.803 0.015 0.000 0.824 183 Q CB 1.796 30.530 28.738 -0.006 0.000 1.290 183 Q HN 0.891 nan 8.270 nan 0.000 0.449 184 D N 2.414 122.932 120.400 0.198 0.000 2.579 184 D HA 0.521 5.160 4.640 -0.003 0.000 0.257 184 D C -2.771 173.618 176.300 0.148 0.000 1.176 184 D CA -2.042 52.092 54.000 0.224 0.000 0.914 184 D CB 0.806 41.773 40.800 0.279 0.000 1.431 184 D HN 0.155 nan 8.370 nan 0.000 0.454 185 P HA 0.163 nan 4.420 nan 0.000 0.267 185 P C -0.447 176.912 177.300 0.098 0.000 1.200 185 P CA 0.519 63.668 63.100 0.082 0.000 0.772 185 P CB 0.378 32.118 31.700 0.067 0.000 0.855 186 Q N -0.156 119.681 119.800 0.061 0.000 2.435 186 Q HA -0.050 4.288 4.340 -0.003 0.000 0.170 186 Q C 0.690 176.677 176.000 -0.022 0.000 0.583 186 Q CA 0.685 56.529 55.803 0.069 0.000 1.334 186 Q CB -1.927 26.904 28.738 0.155 0.000 1.013 186 Q HN 0.925 nan 8.270 nan 0.000 1.056 187 G N 0.202 108.950 108.800 -0.087 0.000 2.545 187 G HA2 -0.251 3.708 3.960 -0.003 0.000 0.216 187 G HA3 -0.251 3.708 3.960 -0.003 0.000 0.216 187 G C -0.785 173.819 174.900 -0.494 0.000 1.314 187 G CA -0.240 44.721 45.100 -0.232 0.000 0.906 187 G HN 0.129 nan 8.290 nan 0.000 0.563 188 R N 0.112 120.240 120.500 -0.620 0.000 2.758 188 R HA 0.751 5.089 4.340 -0.003 0.000 0.265 188 R C -0.375 175.267 176.300 -1.097 0.000 1.016 188 R CA -0.842 54.819 56.100 -0.732 0.000 1.040 188 R CB 1.441 31.506 30.300 -0.392 0.000 1.152 188 R HN 0.720 nan 8.270 nan 0.000 0.503 189 H N -0.723 117.996 119.070 -0.586 0.000 3.008 189 H HA 0.349 4.904 4.556 -0.003 0.000 0.354 189 H C -1.337 173.690 175.328 -0.502 0.000 1.252 189 H CA -0.813 54.911 56.048 -0.540 0.000 1.117 189 H CB 2.116 31.485 29.762 -0.654 0.000 1.857 189 H HN 0.258 nan 8.280 nan 0.000 0.547 190 V N 1.044 120.812 119.914 -0.244 0.000 2.604 190 V HA 0.520 4.638 4.120 -0.003 0.000 0.305 190 V C -0.732 175.151 176.094 -0.350 0.000 1.043 190 V CA -0.342 61.763 62.300 -0.325 0.000 0.888 190 V CB 1.774 33.376 31.823 -0.368 0.000 0.995 190 V HN 0.734 nan 8.190 nan 0.000 0.429 191 K N 2.939 122.934 120.400 -0.675 0.000 2.480 191 K HA 0.795 5.113 4.320 -0.003 0.000 0.258 191 K C -1.056 175.007 176.600 -0.895 0.000 0.990 191 K CA -0.497 55.309 56.287 -0.802 0.000 0.857 191 K CB 2.535 34.434 32.500 -1.003 0.000 1.384 191 K HN 0.839 nan 8.250 nan 0.000 0.446 192 T N -1.314 112.767 114.554 -0.788 0.000 2.907 192 T HA 0.573 4.921 4.350 -0.003 0.000 0.292 192 T C -1.080 173.236 174.700 -0.640 0.000 1.043 192 T CA -0.685 61.010 62.100 -0.676 0.000 1.003 192 T CB 0.871 69.270 68.868 -0.781 0.000 1.084 192 T HN 0.465 nan 8.240 nan 0.000 0.483 193 Y N -0.230 119.907 120.300 -0.271 0.000 2.441 193 Y HA 0.389 4.937 4.550 -0.003 0.000 0.334 193 Y C 0.182 176.033 175.900 -0.080 0.000 1.061 193 Y CA -1.200 56.760 58.100 -0.234 0.000 1.032 193 Y CB 2.106 40.206 38.460 -0.599 0.000 1.266 193 Y HN 0.678 nan 8.280 nan 0.000 0.441 194 E N 2.011 122.330 120.200 0.199 0.000 2.354 194 E HA 0.308 4.657 4.350 -0.003 0.000 0.269 194 E C -1.025 175.769 176.600 0.324 0.000 1.036 194 E CA -0.522 55.996 56.400 0.196 0.000 0.876 194 E CB 1.474 31.254 29.700 0.134 0.000 1.009 194 E HN 0.221 nan 8.360 nan 0.000 0.416 195 V N 2.816 122.917 119.914 0.313 0.000 2.334 195 V HA 0.062 4.181 4.120 -0.003 0.000 0.267 195 V C 0.125 176.345 176.094 0.209 0.000 1.040 195 V CA -0.300 62.199 62.300 0.331 0.000 0.866 195 V CB 1.163 33.234 31.823 0.414 0.000 1.019 195 V HN 0.546 nan 8.190 nan 0.000 0.468 196 S N 5.591 121.383 115.700 0.154 0.000 2.642 196 S HA 0.295 4.763 4.470 -0.003 0.000 0.309 196 S C 1.139 175.786 174.600 0.078 0.000 1.125 196 S CA -0.719 57.535 58.200 0.090 0.000 1.055 196 S CB 0.088 63.318 63.200 0.051 0.000 1.157 196 S HN 0.686 nan 8.310 nan 0.000 0.513 197 L N 3.351 124.644 121.223 0.116 0.000 2.313 197 L HA 0.249 4.587 4.340 -0.003 0.000 0.214 197 L C 2.308 179.149 176.870 -0.048 0.000 1.119 197 L CA 0.546 55.470 54.840 0.140 0.000 0.809 197 L CB -0.441 41.758 42.059 0.234 0.000 0.933 197 L HN 0.502 nan 8.230 nan 0.000 0.449 198 R N 2.350 122.832 120.500 -0.030 0.000 2.112 198 R HA -0.237 4.101 4.340 -0.003 0.000 0.242 198 R C 1.902 178.129 176.300 -0.122 0.000 1.137 198 R CA 2.546 58.609 56.100 -0.061 0.000 0.944 198 R CB -0.354 29.928 30.300 -0.029 0.000 0.857 198 R HN 0.840 nan 8.270 nan 0.000 0.435 199 E N -0.674 119.449 120.200 -0.128 0.000 2.660 199 E HA 0.117 4.465 4.350 -0.003 0.000 0.216 199 E C -0.540 175.923 176.600 -0.228 0.000 0.986 199 E CA -0.230 56.075 56.400 -0.158 0.000 1.037 199 E CB 0.357 30.001 29.700 -0.094 0.000 1.041 199 E HN 0.264 nan 8.360 nan 0.000 0.480 200 K N 0.896 121.110 120.400 -0.310 0.000 3.160 200 K HA -0.226 4.092 4.320 -0.003 0.000 0.280 200 K C -0.326 176.174 176.600 -0.166 0.000 1.154 200 K CA 1.290 57.343 56.287 -0.389 0.000 0.822 200 K CB -1.495 30.560 32.500 -0.741 0.000 1.239 200 K HN 0.456 nan 8.250 nan 0.000 0.489 201 E N -0.721 119.397 120.200 -0.136 0.000 3.362 201 E HA 0.470 4.818 4.350 -0.003 0.000 0.253 201 E C 0.638 177.091 176.600 -0.244 0.000 0.962 201 E CA -0.811 55.490 56.400 -0.164 0.000 1.399 201 E CB 0.226 29.888 29.700 -0.063 0.000 1.668 201 E HN 0.113 nan 8.360 nan 0.000 0.563 202 F N -0.648 119.265 119.950 -0.062 0.000 2.784 202 F HA 0.147 4.673 4.527 -0.003 0.000 0.316 202 F C 0.265 176.074 175.800 0.015 0.000 1.026 202 F CA -0.451 57.490 58.000 -0.098 0.000 1.188 202 F CB 0.716 39.442 39.000 -0.455 0.000 0.999 202 F HN 0.278 nan 8.300 nan 0.000 0.605 203 N N 0.801 119.622 118.700 0.201 0.000 1.387 203 N HA -0.271 4.467 4.740 -0.003 0.000 0.119 203 N C -0.192 175.435 175.510 0.196 0.000 0.852 203 N CA 0.849 53.993 53.050 0.158 0.000 0.874 203 N CB -0.720 37.844 38.487 0.129 0.000 0.970 203 N HN 0.115 nan 8.380 nan 0.000 0.642 204 K N 0.073 120.558 120.400 0.141 0.000 2.267 204 K HA 0.657 4.975 4.320 -0.003 0.000 0.236 204 K C 0.384 177.028 176.600 0.074 0.000 1.030 204 K CA -0.171 56.182 56.287 0.111 0.000 0.930 204 K CB 0.777 33.313 32.500 0.061 0.000 1.182 204 K HN 0.582 nan 8.250 nan 0.000 0.474 205 G N 0.291 109.069 108.800 -0.036 0.000 2.462 205 G HA2 0.329 4.288 3.960 -0.003 0.000 0.319 205 G HA3 0.329 4.288 3.960 -0.003 0.000 0.319 205 G C -2.207 172.625 174.900 -0.114 0.000 1.171 205 G CA -1.308 43.702 45.100 -0.149 0.000 0.920 205 G HN 0.415 nan 8.290 nan 0.000 0.499 206 P HA 0.162 nan 4.420 nan 0.000 0.253 206 P C -1.025 176.377 177.300 0.169 0.000 1.260 206 P CA 0.166 63.259 63.100 -0.011 0.000 0.800 206 P CB -0.168 31.527 31.700 -0.007 0.000 1.162 207 W N -1.129 120.147 121.300 -0.040 0.000 4.071 207 W HA 0.334 4.992 4.660 -0.003 0.000 0.274 207 W C -1.128 175.341 176.519 -0.083 0.000 1.278 207 W CA -1.529 55.787 57.345 -0.048 0.000 1.258 207 W CB 0.121 29.562 29.460 -0.032 0.000 1.236 207 W HN -0.422 nan 8.180 nan 0.000 0.530 208 K N 2.972 123.499 120.400 0.211 0.000 2.620 208 K HA -0.211 4.107 4.320 -0.003 0.000 0.276 208 K C 0.361 177.006 176.600 0.075 0.000 0.978 208 K CA 0.293 56.635 56.287 0.092 0.000 1.032 208 K CB 0.435 32.978 32.500 0.072 0.000 0.832 208 K HN 0.841 nan 8.250 nan 0.000 0.496 209 Q N 1.508 121.291 119.800 -0.028 0.000 2.364 209 Q HA -0.037 4.301 4.340 -0.003 0.000 0.267 209 Q C -0.636 175.359 176.000 -0.009 0.000 0.999 209 Q CA 0.466 56.234 55.803 -0.058 0.000 0.886 209 Q CB 0.705 29.388 28.738 -0.091 0.000 1.243 209 Q HN 0.302 nan 8.270 nan 0.000 0.415 210 E N 2.582 122.778 120.200 -0.007 0.000 2.340 210 E HA 0.342 4.690 4.350 -0.003 0.000 0.273 210 E C -1.138 175.465 176.600 0.006 0.000 0.891 210 E CA -0.882 55.525 56.400 0.012 0.000 0.757 210 E CB 1.464 31.208 29.700 0.074 0.000 1.231 210 E HN 0.639 nan 8.360 nan 0.000 0.439 211 N N 0.595 119.304 118.700 0.015 0.000 2.508 211 N HA 0.274 5.013 4.740 -0.003 0.000 0.264 211 N C 0.037 175.501 175.510 -0.076 0.000 1.216 211 N CA -0.069 52.960 53.050 -0.035 0.000 0.943 211 N CB 1.103 39.571 38.487 -0.032 0.000 1.113 211 N HN 0.295 nan 8.380 nan 0.000 0.447 212 V N -2.045 117.768 119.914 -0.169 0.000 3.141 212 V HA 0.465 4.583 4.120 -0.003 0.000 0.312 212 V C 0.308 176.322 176.094 -0.133 0.000 1.157 212 V CA -1.157 61.078 62.300 -0.109 0.000 1.041 212 V CB 1.756 33.497 31.823 -0.137 0.000 1.071 212 V HN 0.617 nan 8.190 nan 0.000 0.441 213 E N 0.591 120.745 120.200 -0.076 0.000 2.534 213 E HA 0.051 4.399 4.350 -0.003 0.000 0.264 213 E C 1.472 178.007 176.600 -0.108 0.000 0.981 213 E CA 0.641 56.995 56.400 -0.076 0.000 0.948 213 E CB 1.411 31.081 29.700 -0.051 0.000 0.934 213 E HN 1.057 nan 8.360 nan 0.000 0.459 214 A N 5.193 127.956 122.820 -0.095 0.000 1.940 214 A HA -0.220 4.098 4.320 -0.003 0.000 0.221 214 A C 1.408 178.945 177.584 -0.077 0.000 1.190 214 A CA 1.706 53.688 52.037 -0.091 0.000 0.647 214 A CB -0.154 18.808 19.000 -0.062 0.000 0.821 214 A HN 0.666 nan 8.150 nan 0.000 0.457 215 E N -0.481 119.682 120.200 -0.062 0.000 2.451 215 E HA 0.381 4.729 4.350 -0.003 0.000 0.194 215 E C 0.385 176.952 176.600 -0.055 0.000 1.027 215 E CA 0.395 56.765 56.400 -0.049 0.000 0.914 215 E CB -0.287 29.392 29.700 -0.036 0.000 1.054 215 E HN 0.548 nan 8.360 nan 0.000 0.461 216 A N 1.647 124.423 122.820 -0.073 0.000 2.566 216 A HA 0.130 4.448 4.320 -0.003 0.000 0.245 216 A C 1.198 178.743 177.584 -0.066 0.000 1.056 216 A CA 0.900 52.893 52.037 -0.075 0.000 0.757 216 A CB 0.097 19.037 19.000 -0.100 0.000 0.979 216 A HN 0.193 nan 8.150 nan 0.000 0.508 217 S N 1.288 116.960 115.700 -0.048 0.000 2.733 217 S HA 0.315 4.784 4.470 -0.003 0.000 0.270 217 S C 0.107 174.703 174.600 -0.007 0.000 1.062 217 S CA -0.302 57.881 58.200 -0.028 0.000 1.256 217 S CB -0.030 63.162 63.200 -0.014 0.000 1.187 217 S HN 0.602 nan 8.310 nan 0.000 0.666 218 M N 2.483 122.075 119.600 -0.013 0.000 2.321 218 M HA 0.546 5.025 4.480 -0.003 0.000 0.315 218 M C -1.445 174.835 176.300 -0.034 0.000 1.052 218 M CA -0.552 54.756 55.300 0.013 0.000 0.936 218 M CB 2.255 34.880 32.600 0.042 0.000 1.639 218 M HN -0.050 nan 8.290 nan 0.000 0.433 219 V N 4.826 124.736 119.914 -0.006 0.000 2.435 219 V HA 0.561 4.680 4.120 -0.003 0.000 0.290 219 V C -0.249 175.816 176.094 -0.048 0.000 1.030 219 V CA -0.533 61.745 62.300 -0.036 0.000 0.881 219 V CB 1.885 33.704 31.823 -0.007 0.000 0.983 219 V HN 0.714 nan 8.190 nan 0.000 0.445 220 I N 3.559 124.048 120.570 -0.135 0.000 2.436 220 I HA 0.668 4.837 4.170 -0.003 0.000 0.289 220 I C 0.310 176.432 176.117 0.008 0.000 1.010 220 I CA -0.688 60.518 61.300 -0.157 0.000 1.098 220 I CB 1.927 39.605 38.000 -0.537 0.000 1.266 220 I HN 0.647 nan 8.210 nan 0.000 0.434 221 A N 6.770 129.689 122.820 0.164 0.000 2.279 221 A HA 0.612 4.930 4.320 -0.003 0.000 0.306 221 A C -0.189 177.643 177.584 0.414 0.000 1.300 221 A CA -0.434 51.791 52.037 0.313 0.000 0.925 221 A CB 0.200 19.412 19.000 0.353 0.000 1.152 221 A HN 0.489 nan 8.150 nan 0.000 0.544 222 V N 5.158 125.267 119.914 0.325 0.000 2.583 222 V HA 0.255 4.374 4.120 -0.003 0.000 0.287 222 V C -1.960 174.227 176.094 0.155 0.000 1.051 222 V CA -1.302 61.146 62.300 0.247 0.000 1.010 222 V CB 0.939 32.899 31.823 0.227 0.000 0.988 222 V HN 0.768 nan 8.190 nan 0.000 0.478 223 P HA 0.169 nan 4.420 nan 0.000 0.275 223 P C 1.004 178.286 177.300 -0.031 0.000 1.266 223 P CA -0.438 62.339 63.100 -0.538 0.000 0.793 223 P CB 0.682 32.024 31.700 -0.597 0.000 1.074 224 E N 0.502 120.691 120.200 -0.018 0.000 2.136 224 E HA -0.198 4.151 4.350 -0.003 0.000 0.202 224 E C -0.678 175.971 176.600 0.082 0.000 1.019 224 E CA 2.263 58.725 56.400 0.104 0.000 0.819 224 E CB -1.995 27.765 29.700 0.101 0.000 0.739 224 E HN 0.428 nan 8.360 nan 0.000 0.458 225 P HA -0.105 nan 4.420 nan 0.000 0.221 225 P C 0.876 178.040 177.300 -0.227 0.000 1.145 225 P CA 1.196 64.235 63.100 -0.103 0.000 0.795 225 P CB -0.089 31.527 31.700 -0.140 0.000 0.775 226 F N -1.772 118.196 119.950 0.030 0.000 2.537 226 F HA 0.389 4.915 4.527 -0.003 0.000 0.275 226 F C 1.751 177.646 175.800 0.157 0.000 0.947 226 F CA 1.016 59.047 58.000 0.051 0.000 1.238 226 F CB -0.584 38.422 39.000 0.010 0.000 1.071 226 F HN -0.055 nan 8.300 nan 0.000 0.749 227 G N 0.247 109.295 108.800 0.413 0.000 2.698 227 G HA2 0.261 4.219 3.960 -0.003 0.000 0.233 227 G HA3 0.261 4.219 3.960 -0.003 0.000 0.233 227 G C 0.415 175.589 174.900 0.457 0.000 1.352 227 G CA -0.395 44.942 45.100 0.394 0.000 0.879 227 G HN 1.376 nan 8.290 nan 0.000 0.567 228 G N -1.506 107.519 108.800 0.375 0.000 2.749 228 G HA2 0.416 4.374 3.960 -0.003 0.000 0.242 228 G HA3 0.416 4.374 3.960 -0.003 0.000 0.242 228 G C 0.379 175.407 174.900 0.212 0.000 1.364 228 G CA 1.292 46.507 45.100 0.192 0.000 0.888 228 G HN 2.795 nan 8.290 nan 0.000 0.566 229 A N -1.094 121.726 122.820 0.000 0.000 2.413 229 A HA 0.828 5.146 4.320 -0.003 0.000 0.307 229 A C -0.274 177.313 177.584 0.004 0.000 1.087 229 A CA -0.488 51.587 52.037 0.063 0.000 0.750 229 A CB 1.359 20.412 19.000 0.089 0.000 1.296 229 A HN 1.192 nan 8.150 nan 0.000 0.423 230 I N 1.399 121.971 120.570 0.004 0.000 2.392 230 I HA 0.374 4.543 4.170 -0.003 0.000 0.295 230 I C -0.780 175.289 176.117 -0.079 0.000 0.985 230 I CA -0.262 61.019 61.300 -0.032 0.000 1.221 230 I CB 1.584 39.486 38.000 -0.164 0.000 1.366 230 I HN 0.470 nan 8.210 nan 0.000 0.467 231 I N 7.320 127.869 120.570 -0.036 0.000 2.390 231 I HA 0.350 4.519 4.170 -0.003 0.000 0.283 231 I C -0.241 175.833 176.117 -0.072 0.000 1.016 231 I CA -0.319 60.942 61.300 -0.065 0.000 1.151 231 I CB 0.821 38.778 38.000 -0.072 0.000 1.293 231 I HN 0.319 nan 8.210 nan 0.000 0.458 232 I N 5.511 126.022 120.570 -0.098 0.000 2.371 232 I HA 0.433 4.602 4.170 -0.003 0.000 0.290 232 I C 0.887 176.962 176.117 -0.071 0.000 1.028 232 I CA 0.048 61.291 61.300 -0.095 0.000 1.345 232 I CB 1.095 39.032 38.000 -0.105 0.000 1.407 232 I HN 0.641 nan 8.210 nan 0.000 0.501 233 G N 5.084 113.841 108.800 -0.072 0.000 3.209 233 G HA2 0.380 4.338 3.960 -0.003 0.000 0.236 233 G HA3 0.380 4.338 3.960 -0.003 0.000 0.236 233 G C -0.903 173.958 174.900 -0.064 0.000 1.329 233 G CA -0.354 44.709 45.100 -0.061 0.000 1.015 233 G HN 0.400 nan 8.290 nan 0.000 0.571 234 Q N 0.449 120.216 119.800 -0.055 0.000 2.299 234 Q HA 0.182 4.521 4.340 -0.003 0.000 0.246 234 Q C 0.977 176.942 176.000 -0.058 0.000 0.935 234 Q CA 0.412 56.183 55.803 -0.054 0.000 0.887 234 Q CB 1.339 30.053 28.738 -0.040 0.000 1.223 234 Q HN 0.976 nan 8.270 nan 0.000 0.439 235 E N -0.548 119.613 120.200 -0.064 0.000 3.339 235 E HA -0.320 4.029 4.350 -0.003 0.000 0.276 235 E C -0.903 175.657 176.600 -0.067 0.000 0.873 235 E CA 1.493 57.855 56.400 -0.062 0.000 0.849 235 E CB -1.270 28.405 29.700 -0.043 0.000 1.429 235 E HN 0.456 nan 8.360 nan 0.000 0.468 236 S N -0.145 115.514 115.700 -0.070 0.000 2.540 236 S HA 0.789 5.257 4.470 -0.003 0.000 0.275 236 S C -0.486 174.066 174.600 -0.079 0.000 1.123 236 S CA -0.931 57.230 58.200 -0.067 0.000 0.907 236 S CB 1.995 65.172 63.200 -0.038 0.000 1.081 236 S HN 0.289 nan 8.310 nan 0.000 0.476 237 I N 2.402 122.916 120.570 -0.094 0.000 2.465 237 I HA 0.628 4.797 4.170 -0.003 0.000 0.291 237 I C -0.304 175.753 176.117 -0.100 0.000 1.014 237 I CA -0.396 60.845 61.300 -0.099 0.000 1.093 237 I CB 2.531 40.453 38.000 -0.130 0.000 1.267 237 I HN 0.971 nan 8.210 nan 0.000 0.431 238 T N 2.041 116.555 114.554 -0.067 0.000 2.909 238 T HA 0.479 4.827 4.350 -0.003 0.000 0.299 238 T C -1.221 173.470 174.700 -0.015 0.000 1.073 238 T CA -0.723 61.309 62.100 -0.113 0.000 0.999 238 T CB 1.752 70.573 68.868 -0.077 0.000 1.098 238 T HN 0.373 nan 8.240 nan 0.000 0.477 239 Y N 2.291 122.425 120.300 -0.277 0.000 2.342 239 Y HA 0.580 5.128 4.550 -0.003 0.000 0.334 239 Y C -0.286 175.453 175.900 -0.269 0.000 1.067 239 Y CA -0.710 57.280 58.100 -0.185 0.000 1.128 239 Y CB 1.082 39.417 38.460 -0.207 0.000 1.200 239 Y HN 0.790 nan 8.280 nan 0.000 0.464 240 H N 4.947 123.509 119.070 -0.846 0.000 2.600 240 H HA 0.345 4.899 4.556 -0.003 0.000 0.357 240 H C -1.251 173.442 175.328 -1.059 0.000 1.106 240 H CA -0.925 54.731 56.048 -0.654 0.000 1.193 240 H CB 2.171 31.787 29.762 -0.243 0.000 1.594 240 H HN 0.612 nan 8.280 nan 0.000 0.526 241 N N 1.615 119.757 118.700 -0.930 0.000 3.193 241 N HA 0.135 4.873 4.740 -0.003 0.000 0.234 241 N C 0.439 175.312 175.510 -1.063 0.000 1.267 241 N CA 0.680 53.009 53.050 -1.203 0.000 0.875 241 N CB 0.752 38.876 38.487 -0.605 0.000 1.592 241 N HN 1.022 nan 8.380 nan 0.000 0.648 242 G N 3.400 111.195 108.800 -1.674 0.000 2.622 242 G HA2 -0.377 3.581 3.960 -0.003 0.000 0.307 242 G HA3 -0.377 3.581 3.960 -0.003 0.000 0.307 242 G C 0.467 175.095 174.900 -0.453 0.000 1.226 242 G CA 0.810 45.513 45.100 -0.662 0.000 0.997 242 G HN 0.579 nan 8.290 nan 0.000 0.551 243 D N 0.663 120.933 120.400 -0.217 0.000 2.348 243 D HA 0.119 4.758 4.640 -0.003 0.000 0.211 243 D C 1.268 177.498 176.300 -0.117 0.000 0.998 243 D CA 0.690 54.610 54.000 -0.133 0.000 0.873 243 D CB -0.021 40.740 40.800 -0.064 0.000 0.925 243 D HN 0.370 nan 8.370 nan 0.000 0.524 244 K N 0.525 120.841 120.400 -0.140 0.000 2.416 244 K HA 0.030 4.348 4.320 -0.003 0.000 0.283 244 K C -1.374 175.184 176.600 -0.070 0.000 1.037 244 K CA -0.128 56.119 56.287 -0.065 0.000 0.995 244 K CB -0.110 32.386 32.500 -0.007 0.000 0.938 244 K HN -0.042 nan 8.250 nan 0.000 0.475 245 Y N 4.846 125.050 120.300 -0.160 0.000 2.361 245 Y HA 0.489 5.037 4.550 -0.003 0.000 0.328 245 Y C -1.901 173.917 175.900 -0.137 0.000 1.044 245 Y CA -0.927 57.026 58.100 -0.244 0.000 1.085 245 Y CB 1.050 39.347 38.460 -0.273 0.000 1.194 245 Y HN 0.578 nan 8.280 nan 0.000 0.438 246 L N 5.189 126.008 121.223 -0.674 0.000 2.354 246 L HA 1.013 5.352 4.340 -0.003 0.000 0.264 246 L C -1.072 175.325 176.870 -0.787 0.000 1.008 246 L CA -1.037 53.457 54.840 -0.578 0.000 0.819 246 L CB 2.240 44.165 42.059 -0.223 0.000 1.339 246 L HN 0.820 nan 8.230 nan 0.000 0.420 247 A N 3.289 125.793 122.820 -0.527 0.000 2.547 247 A HA 0.835 5.153 4.320 -0.003 0.000 0.297 247 A C -1.330 176.141 177.584 -0.187 0.000 1.056 247 A CA -0.437 51.378 52.037 -0.369 0.000 0.688 247 A CB 1.600 20.403 19.000 -0.329 0.000 1.282 247 A HN 0.650 nan 8.150 nan 0.000 0.400 248 I N -1.645 118.841 120.570 -0.140 0.000 2.828 248 I HA 0.900 5.069 4.170 -0.003 0.000 0.302 248 I C -0.068 175.999 176.117 -0.083 0.000 1.101 248 I CA -1.060 60.179 61.300 -0.101 0.000 1.031 248 I CB 2.669 40.607 38.000 -0.103 0.000 1.231 248 I HN 0.782 nan 8.210 nan 0.000 0.427 249 A N 4.259 127.039 122.820 -0.067 0.000 3.297 249 A HA 0.576 4.894 4.320 -0.003 0.000 0.304 249 A C -2.567 174.982 177.584 -0.059 0.000 0.963 249 A CA -1.139 50.862 52.037 -0.059 0.000 0.935 249 A CB -0.514 18.462 19.000 -0.040 0.000 1.093 249 A HN 0.607 nan 8.150 nan 0.000 0.480 250 P HA 0.254 nan 4.420 nan 0.000 0.276 250 P C -2.337 174.930 177.300 -0.055 0.000 1.243 250 P CA -0.983 62.079 63.100 -0.063 0.000 0.768 250 P CB 1.284 32.934 31.700 -0.083 0.000 0.856 251 P HA -0.140 nan 4.420 nan 0.000 0.218 251 P C 1.573 178.868 177.300 -0.008 0.000 1.148 251 P CA 1.157 64.246 63.100 -0.018 0.000 0.822 251 P CB -0.221 31.477 31.700 -0.004 0.000 0.784 252 I N -1.568 119.008 120.570 0.010 0.000 2.151 252 I HA -0.250 3.918 4.170 -0.003 0.000 0.243 252 I C 2.344 178.484 176.117 0.039 0.000 1.080 252 I CA 1.582 62.925 61.300 0.071 0.000 1.339 252 I CB -1.055 37.056 38.000 0.183 0.000 1.039 252 I HN -0.109 nan 8.210 nan 0.000 0.409 253 I N 1.118 121.621 120.570 -0.111 0.000 2.399 253 I HA -0.284 3.885 4.170 -0.003 0.000 0.254 253 I C 2.695 178.761 176.117 -0.085 0.000 1.146 253 I CA 1.270 62.450 61.300 -0.201 0.000 1.412 253 I CB -0.308 37.527 38.000 -0.274 0.000 1.076 253 I HN 0.289 nan 8.210 nan 0.000 0.432 254 K N 1.000 121.372 120.400 -0.047 0.000 2.211 254 K HA -0.176 4.142 4.320 -0.003 0.000 0.204 254 K C 1.088 177.678 176.600 -0.016 0.000 1.047 254 K CA 1.101 57.369 56.287 -0.032 0.000 0.935 254 K CB 0.082 32.569 32.500 -0.022 0.000 0.728 254 K HN 0.519 nan 8.250 nan 0.000 0.452 255 Q N -0.155 119.646 119.800 0.002 0.000 2.665 255 Q HA 0.085 4.424 4.340 -0.003 0.000 0.189 255 Q C 0.241 176.242 176.000 0.002 0.000 1.118 255 Q CA -0.476 55.331 55.803 0.006 0.000 0.849 255 Q CB -0.264 28.487 28.738 0.021 0.000 3.715 255 Q HN -0.036 nan 8.270 nan 0.000 0.439 256 S N 0.634 116.335 115.700 0.002 0.000 4.002 256 S HA -0.136 4.333 4.470 -0.003 0.000 0.478 256 S C -0.556 174.042 174.600 -0.003 0.000 1.092 256 S CA -0.046 58.150 58.200 -0.007 0.000 0.838 256 S CB -0.308 62.897 63.200 0.009 0.000 0.749 256 S HN 0.389 nan 8.310 nan 0.000 0.453 257 T N 6.084 120.627 114.554 -0.018 0.000 2.940 257 T HA 0.186 4.535 4.350 -0.003 0.000 0.309 257 T C 0.642 175.343 174.700 0.002 0.000 1.056 257 T CA -0.032 62.058 62.100 -0.016 0.000 1.137 257 T CB 0.131 68.990 68.868 -0.016 0.000 0.976 257 T HN 0.504 nan 8.240 nan 0.000 0.547 258 I N 3.302 123.868 120.570 -0.006 0.000 2.396 258 I HA 0.089 4.258 4.170 -0.003 0.000 0.289 258 I C 1.154 177.290 176.117 0.032 0.000 1.056 258 I CA 0.096 61.408 61.300 0.019 0.000 1.365 258 I CB 1.188 39.174 38.000 -0.024 0.000 1.407 258 I HN 0.440 nan 8.210 nan 0.000 0.509 259 V N 7.330 127.273 119.914 0.047 0.000 3.379 259 V HA 0.081 4.199 4.120 -0.003 0.000 0.249 259 V C 0.373 176.497 176.094 0.050 0.000 1.184 259 V CA 0.738 63.062 62.300 0.040 0.000 1.106 259 V CB 0.648 32.487 31.823 0.026 0.000 0.826 259 V HN 0.944 nan 8.190 nan 0.000 0.465 260 C N -0.002 119.338 119.300 0.067 0.000 3.291 260 C HA 0.895 5.354 4.460 -0.003 0.000 0.316 260 C C -0.556 174.506 174.990 0.121 0.000 1.391 260 C CA -0.232 58.812 59.018 0.045 0.000 1.394 260 C CB 0.954 28.690 27.740 -0.007 0.000 1.744 260 C HN 0.804 nan 8.230 nan 0.000 0.461 261 H N 0.186 119.305 119.070 0.080 0.000 3.008 261 H HA 0.874 5.429 4.556 -0.003 0.000 0.354 261 H C -1.170 174.255 175.328 0.161 0.000 1.252 261 H CA -0.395 55.724 56.048 0.118 0.000 1.117 261 H CB 1.307 31.123 29.762 0.091 0.000 1.857 261 H HN 0.966 nan 8.280 nan 0.000 0.547 262 N N -0.345 118.574 118.700 0.365 0.000 2.504 262 N HA 0.252 4.991 4.740 -0.003 0.000 0.268 262 N C -1.813 173.872 175.510 0.291 0.000 1.184 262 N CA -0.947 52.274 53.050 0.285 0.000 0.875 262 N CB 2.403 40.992 38.487 0.170 0.000 1.630 262 N HN 0.799 nan 8.380 nan 0.000 0.486 263 R N 2.667 123.246 120.500 0.131 0.000 2.229 263 R HA 0.489 4.828 4.340 -0.003 0.000 0.328 263 R C -0.270 175.896 176.300 -0.225 0.000 1.009 263 R CA -0.492 55.413 56.100 -0.323 0.000 0.864 263 R CB 0.776 30.906 30.300 -0.284 0.000 1.085 263 R HN 0.446 nan 8.270 nan 0.000 0.453 264 V N 2.537 122.217 119.914 -0.390 0.000 2.341 264 V HA -0.005 4.113 4.120 -0.003 0.000 0.240 264 V C 0.124 175.997 176.094 -0.368 0.000 1.035 264 V CA 1.242 63.251 62.300 -0.486 0.000 1.033 264 V CB -0.041 31.384 31.823 -0.664 0.000 0.678 264 V HN 0.762 nan 8.190 nan 0.000 0.464 265 D N -0.033 120.166 120.400 -0.335 0.000 2.303 265 D HA 0.294 4.932 4.640 -0.003 0.000 0.236 265 D C -1.924 174.278 176.300 -0.164 0.000 1.068 265 D CA -1.917 51.962 54.000 -0.201 0.000 0.830 265 D CB 1.560 42.252 40.800 -0.179 0.000 1.109 265 D HN 0.057 nan 8.370 nan 0.000 0.496 266 P HA -0.148 nan 4.420 nan 0.000 0.221 266 P C 0.925 178.198 177.300 -0.046 0.000 1.141 266 P CA 0.882 63.954 63.100 -0.047 0.000 0.794 266 P CB 0.342 32.045 31.700 0.005 0.000 0.764 267 N N -0.832 117.853 118.700 -0.025 0.000 2.364 267 N HA -0.086 4.653 4.740 -0.003 0.000 0.183 267 N C 1.392 176.944 175.510 0.070 0.000 1.022 267 N CA 1.491 54.574 53.050 0.055 0.000 0.883 267 N CB -0.589 37.956 38.487 0.096 0.000 0.965 267 N HN 0.174 nan 8.380 nan 0.000 0.438 268 G N 0.836 109.577 108.800 -0.098 0.000 2.221 268 G HA2 -0.294 3.665 3.960 -0.003 0.000 0.265 268 G HA3 -0.294 3.665 3.960 -0.003 0.000 0.265 268 G C 0.844 175.626 174.900 -0.196 0.000 1.041 268 G CA 0.760 45.758 45.100 -0.169 0.000 0.807 268 G HN 0.486 nan 8.290 nan 0.000 0.502 269 S N -1.484 114.118 115.700 -0.163 0.000 2.528 269 S HA 0.351 4.820 4.470 -0.003 0.000 0.219 269 S C 0.946 175.455 174.600 -0.151 0.000 0.985 269 S CA 0.367 58.479 58.200 -0.146 0.000 0.914 269 S CB 0.752 63.954 63.200 0.004 0.000 0.776 269 S HN 0.604 nan 8.310 nan 0.000 0.526 270 R N 0.026 120.393 120.500 -0.222 0.000 2.522 270 R HA 0.495 4.834 4.340 -0.003 0.000 0.283 270 R C -2.146 173.932 176.300 -0.370 0.000 1.074 270 R CA -0.398 55.579 56.100 -0.205 0.000 0.925 270 R CB 1.573 31.746 30.300 -0.212 0.000 1.205 270 R HN 0.229 nan 8.270 nan 0.000 0.436 271 Y N 2.026 122.269 120.300 -0.094 0.000 2.462 271 Y HA 0.424 4.972 4.550 -0.003 0.000 0.346 271 Y C 0.049 175.947 175.900 -0.003 0.000 0.976 271 Y CA -0.799 57.279 58.100 -0.036 0.000 1.044 271 Y CB 1.882 40.326 38.460 -0.026 0.000 1.230 271 Y HN 0.291 nan 8.280 nan 0.000 0.455 272 L N 4.468 125.798 121.223 0.179 0.000 2.326 272 L HA 0.459 4.797 4.340 -0.003 0.000 0.278 272 L C -0.782 176.224 176.870 0.226 0.000 1.092 272 L CA -0.334 54.607 54.840 0.168 0.000 0.810 272 L CB 0.633 42.777 42.059 0.141 0.000 1.153 272 L HN 0.434 nan 8.230 nan 0.000 0.439 273 L N 2.526 123.883 121.223 0.223 0.000 2.346 273 L HA 0.688 5.026 4.340 -0.003 0.000 0.276 273 L C 0.197 177.220 176.870 0.255 0.000 1.006 273 L CA -0.614 54.364 54.840 0.229 0.000 0.817 273 L CB 1.922 44.091 42.059 0.183 0.000 1.272 273 L HN 0.621 nan 8.230 nan 0.000 0.421 274 G N 0.606 109.521 108.800 0.192 0.000 2.470 274 G HA2 0.440 4.399 3.960 -0.003 0.000 0.320 274 G HA3 0.440 4.399 3.960 -0.003 0.000 0.320 274 G C -1.060 173.927 174.900 0.145 0.000 1.245 274 G CA -0.322 44.870 45.100 0.154 0.000 0.935 274 G HN 0.428 nan 8.290 nan 0.000 0.476 275 D N 1.522 122.021 120.400 0.165 0.000 2.360 275 D HA 0.155 4.794 4.640 -0.003 0.000 0.242 275 D C 1.573 177.894 176.300 0.034 0.000 1.184 275 D CA -0.377 53.694 54.000 0.119 0.000 0.930 275 D CB 1.346 42.230 40.800 0.141 0.000 1.161 275 D HN 0.223 nan 8.370 nan 0.000 0.447 276 M N 0.150 119.746 119.600 -0.006 0.000 2.394 276 M HA -0.089 4.389 4.480 -0.003 0.000 0.264 276 M C 1.204 177.435 176.300 -0.114 0.000 1.073 276 M CA 1.266 56.523 55.300 -0.072 0.000 1.111 276 M CB 0.119 32.647 32.600 -0.119 0.000 1.401 276 M HN 0.342 nan 8.290 nan 0.000 0.448 277 E N -0.697 119.458 120.200 -0.075 0.000 2.465 277 E HA 0.130 4.479 4.350 -0.003 0.000 0.191 277 E C 0.940 177.517 176.600 -0.039 0.000 1.053 277 E CA 0.370 56.725 56.400 -0.076 0.000 0.869 277 E CB 0.126 29.794 29.700 -0.053 0.000 0.977 277 E HN 0.567 nan 8.360 nan 0.000 0.483 278 G N 1.898 110.684 108.800 -0.024 0.000 2.179 278 G HA2 -0.368 3.590 3.960 -0.003 0.000 0.257 278 G HA3 -0.368 3.590 3.960 -0.003 0.000 0.257 278 G C 0.070 174.936 174.900 -0.057 0.000 1.010 278 G CA 0.188 45.272 45.100 -0.025 0.000 0.736 278 G HN 0.184 nan 8.290 nan 0.000 0.513 279 R N -0.923 119.531 120.500 -0.076 0.000 2.490 279 R HA 0.582 4.921 4.340 -0.003 0.000 0.280 279 R C 0.070 176.198 176.300 -0.287 0.000 1.077 279 R CA -0.532 55.428 56.100 -0.233 0.000 1.065 279 R CB 0.995 31.115 30.300 -0.300 0.000 1.003 279 R HN 0.269 nan 8.270 nan 0.000 0.470 280 L N 2.886 123.880 121.223 -0.382 0.000 2.334 280 L HA 0.562 4.901 4.340 -0.003 0.000 0.276 280 L C -1.481 175.161 176.870 -0.380 0.000 1.014 280 L CA -0.165 54.546 54.840 -0.214 0.000 0.815 280 L CB 1.146 43.153 42.059 -0.087 0.000 1.268 280 L HN 0.419 nan 8.230 nan 0.000 0.428 281 F N 3.975 123.933 119.950 0.013 0.000 2.577 281 F HA 0.617 5.142 4.527 -0.003 0.000 0.318 281 F C -0.195 175.602 175.800 -0.005 0.000 1.065 281 F CA -0.683 57.315 58.000 -0.004 0.000 0.929 281 F CB 2.035 41.032 39.000 -0.006 0.000 1.237 281 F HN 0.377 nan 8.300 nan 0.000 0.468 282 M N 3.398 123.100 119.600 0.170 0.000 2.180 282 M HA 0.521 4.999 4.480 -0.003 0.000 0.350 282 M C -1.718 174.626 176.300 0.073 0.000 1.125 282 M CA -0.755 54.589 55.300 0.072 0.000 1.031 282 M CB 1.130 33.718 32.600 -0.021 0.000 1.623 282 M HN 0.477 nan 8.290 nan 0.000 0.451 283 L N 6.984 128.248 121.223 0.069 0.000 2.280 283 L HA 0.668 5.007 4.340 -0.003 0.000 0.287 283 L C -1.967 174.910 176.870 0.012 0.000 1.023 283 L CA -0.216 54.643 54.840 0.032 0.000 0.819 283 L CB 0.837 42.914 42.059 0.029 0.000 1.212 283 L HN 0.726 nan 8.230 nan 0.000 0.420 284 L N 6.009 127.210 121.223 -0.037 0.000 2.322 284 L HA 0.537 4.875 4.340 -0.003 0.000 0.281 284 L C -0.635 176.174 176.870 -0.101 0.000 1.014 284 L CA -0.310 54.492 54.840 -0.064 0.000 0.815 284 L CB 1.577 43.598 42.059 -0.063 0.000 1.247 284 L HN 0.450 nan 8.230 nan 0.000 0.421 285 L N 2.564 123.700 121.223 -0.145 0.000 2.296 285 L HA 0.475 4.814 4.340 -0.003 0.000 0.286 285 L C 0.058 176.860 176.870 -0.112 0.000 1.023 285 L CA -0.441 54.260 54.840 -0.231 0.000 0.812 285 L CB 1.659 43.401 42.059 -0.529 0.000 1.223 285 L HN 0.665 nan 8.230 nan 0.000 0.421 286 E N 3.781 123.943 120.200 -0.063 0.000 2.130 286 E HA 0.185 4.533 4.350 -0.003 0.000 0.284 286 E C -0.835 175.825 176.600 0.100 0.000 1.018 286 E CA -0.604 55.803 56.400 0.012 0.000 0.817 286 E CB 0.808 30.495 29.700 -0.022 0.000 1.078 286 E HN 0.417 nan 8.360 nan 0.000 0.396 287 K N 3.642 124.129 120.400 0.145 0.000 2.297 287 K HA 0.207 4.525 4.320 -0.003 0.000 0.286 287 K C -0.298 176.301 176.600 -0.002 0.000 1.053 287 K CA -0.380 55.961 56.287 0.090 0.000 0.940 287 K CB 0.990 33.507 32.500 0.029 0.000 1.019 287 K HN 0.316 nan 8.250 nan 0.000 0.475 288 E N 3.224 123.402 120.200 -0.037 0.000 2.183 288 E HA 0.066 4.414 4.350 -0.003 0.000 0.250 288 E C -0.770 175.792 176.600 -0.063 0.000 0.901 288 E CA -0.324 56.050 56.400 -0.042 0.000 0.741 288 E CB 1.119 30.799 29.700 -0.032 0.000 1.182 288 E HN 0.542 nan 8.360 nan 0.000 0.425 289 E N 1.876 122.039 120.200 -0.061 0.000 2.404 289 E HA -0.010 4.338 4.350 -0.003 0.000 0.261 289 E C 0.260 176.832 176.600 -0.046 0.000 1.074 289 E CA 0.330 56.692 56.400 -0.062 0.000 0.917 289 E CB 0.902 30.570 29.700 -0.054 0.000 0.965 289 E HN 0.405 nan 8.360 nan 0.000 0.433 290 Q N 1.609 121.382 119.800 -0.044 0.000 3.076 290 Q HA 0.470 4.808 4.340 -0.003 0.000 0.212 290 Q C -0.611 175.371 176.000 -0.030 0.000 1.168 290 Q CA -0.375 55.408 55.803 -0.033 0.000 0.333 290 Q CB 0.611 29.329 28.738 -0.033 0.000 5.777 290 Q HN 0.476 nan 8.270 nan 0.000 0.315 291 M N 0.621 120.206 119.600 -0.025 0.000 2.331 291 M HA 0.124 4.602 4.480 -0.003 0.000 0.249 291 M C -1.714 174.573 176.300 -0.020 0.000 1.010 291 M CA -0.141 55.146 55.300 -0.021 0.000 0.939 291 M CB 2.202 34.792 32.600 -0.016 0.000 2.126 291 M HN 0.482 nan 8.290 nan 0.000 0.472 292 D N -0.074 120.313 120.400 -0.021 0.000 2.462 292 D HA -0.203 4.435 4.640 -0.003 0.000 0.172 292 D C 1.143 177.431 176.300 -0.020 0.000 1.218 292 D CA 2.206 56.195 54.000 -0.019 0.000 1.131 292 D CB -1.204 39.588 40.800 -0.013 0.000 1.155 292 D HN 0.968 nan 8.370 nan 0.000 0.443 293 G N -0.399 108.386 108.800 -0.024 0.000 3.314 293 G HA2 0.385 4.343 3.960 -0.003 0.000 0.238 293 G HA3 0.385 4.343 3.960 -0.003 0.000 0.238 293 G C 0.407 175.284 174.900 -0.037 0.000 1.184 293 G CA 0.871 45.956 45.100 -0.025 0.000 0.806 293 G HN 0.494 nan 8.290 nan 0.000 0.536 294 T N -1.346 113.181 114.554 -0.044 0.000 0.541 294 T HA -0.277 4.071 4.350 -0.003 0.000 0.774 294 T C 0.285 174.930 174.700 -0.093 0.000 0.992 294 T CA 0.613 62.674 62.100 -0.065 0.000 4.077 294 T CB -1.374 67.456 68.868 -0.064 0.000 2.303 294 T HN 1.201 nan 8.240 nan 0.000 0.398 295 V N -1.634 118.194 119.914 -0.143 0.000 2.435 295 V HA 0.835 4.953 4.120 -0.003 0.000 0.290 295 V C 0.193 176.140 176.094 -0.244 0.000 1.030 295 V CA -0.239 61.934 62.300 -0.212 0.000 0.881 295 V CB 1.709 33.343 31.823 -0.316 0.000 0.983 295 V HN 1.099 nan 8.190 nan 0.000 0.445 296 T N 4.050 118.496 114.554 -0.181 0.000 2.926 296 T HA 0.627 4.975 4.350 -0.003 0.000 0.289 296 T C -0.836 173.830 174.700 -0.056 0.000 1.054 296 T CA -0.631 61.399 62.100 -0.116 0.000 1.015 296 T CB 1.721 70.555 68.868 -0.056 0.000 1.167 296 T HN 0.827 nan 8.240 nan 0.000 0.526 297 L N 2.997 124.226 121.223 0.010 0.000 2.259 297 L HA 0.479 4.818 4.340 -0.003 0.000 0.288 297 L C 1.269 178.116 176.870 -0.039 0.000 1.051 297 L CA -0.232 54.632 54.840 0.040 0.000 0.824 297 L CB 0.592 42.577 42.059 -0.123 0.000 1.206 297 L HN 0.683 nan 8.230 nan 0.000 0.429 298 K N 2.482 122.868 120.400 -0.024 0.000 2.076 298 K HA 0.050 4.369 4.320 -0.003 0.000 0.204 298 K C 0.116 176.678 176.600 -0.064 0.000 1.051 298 K CA 0.855 57.118 56.287 -0.040 0.000 0.949 298 K CB 0.375 32.858 32.500 -0.028 0.000 0.726 298 K HN 0.640 nan 8.250 nan 0.000 0.443 299 D N -1.380 118.971 120.400 -0.081 0.000 2.692 299 D HA 0.276 4.914 4.640 -0.003 0.000 0.290 299 D C -1.498 174.725 176.300 -0.128 0.000 1.281 299 D CA -0.529 53.410 54.000 -0.101 0.000 0.804 299 D CB 1.395 42.150 40.800 -0.075 0.000 1.331 299 D HN -0.056 nan 8.370 nan 0.000 0.432 300 L N 0.946 122.091 121.223 -0.130 0.000 2.333 300 L HA 0.696 5.034 4.340 -0.003 0.000 0.269 300 L C -0.043 176.767 176.870 -0.100 0.000 1.010 300 L CA -0.735 54.026 54.840 -0.133 0.000 0.818 300 L CB 2.455 44.426 42.059 -0.146 0.000 1.306 300 L HN 0.241 nan 8.230 nan 0.000 0.430 301 R N 0.790 121.236 120.500 -0.089 0.000 2.643 301 R HA 0.732 5.071 4.340 -0.003 0.000 0.269 301 R C -2.079 174.188 176.300 -0.056 0.000 1.037 301 R CA -0.522 55.538 56.100 -0.067 0.000 0.894 301 R CB 2.726 32.992 30.300 -0.057 0.000 1.238 301 R HN 0.397 nan 8.270 nan 0.000 0.459 302 V N 2.734 122.624 119.914 -0.040 0.000 2.656 302 V HA 0.483 4.601 4.120 -0.003 0.000 0.307 302 V C -0.932 175.190 176.094 0.047 0.000 1.051 302 V CA -0.607 61.689 62.300 -0.006 0.000 0.893 302 V CB 2.128 33.909 31.823 -0.070 0.000 0.999 302 V HN 0.780 nan 8.190 nan 0.000 0.426 303 E N 3.081 123.334 120.200 0.089 0.000 2.275 303 E HA 0.379 4.727 4.350 -0.003 0.000 0.270 303 E C -1.358 175.304 176.600 0.104 0.000 0.882 303 E CA -1.034 55.402 56.400 0.060 0.000 0.758 303 E CB 2.766 32.425 29.700 -0.069 0.000 1.195 303 E HN 0.509 nan 8.360 nan 0.000 0.419 304 L N 4.674 125.952 121.223 0.091 0.000 2.485 304 L HA 0.117 4.456 4.340 -0.003 0.000 0.279 304 L C 0.062 176.874 176.870 -0.096 0.000 1.124 304 L CA 0.575 55.348 54.840 -0.111 0.000 0.888 304 L CB -0.082 41.908 42.059 -0.116 0.000 1.217 304 L HN 0.710 nan 8.230 nan 0.000 0.464 305 L N 5.053 126.194 121.223 -0.137 0.000 2.270 305 L HA 0.431 4.770 4.340 -0.003 0.000 0.210 305 L C 1.348 178.279 176.870 0.102 0.000 1.104 305 L CA 0.493 55.338 54.840 0.009 0.000 0.804 305 L CB -0.859 41.185 42.059 -0.025 0.000 0.937 305 L HN 0.915 nan 8.230 nan 0.000 0.450 306 G N 0.574 109.331 108.800 -0.071 0.000 2.439 306 G HA2 0.063 4.021 3.960 -0.003 0.000 0.186 306 G HA3 0.063 4.021 3.960 -0.003 0.000 0.186 306 G C -1.602 173.223 174.900 -0.126 0.000 1.260 306 G CA -0.170 44.892 45.100 -0.064 0.000 1.020 306 G HN 0.228 nan 8.290 nan 0.000 0.470 307 E N -0.582 119.569 120.200 -0.080 0.000 2.278 307 E HA 0.651 4.999 4.350 -0.003 0.000 0.272 307 E C 0.399 176.967 176.600 -0.054 0.000 0.890 307 E CA 0.004 56.355 56.400 -0.081 0.000 0.770 307 E CB 1.919 31.578 29.700 -0.069 0.000 1.212 307 E HN 0.809 nan 8.360 nan 0.000 0.415 308 T N 1.311 115.833 114.554 -0.054 0.000 3.241 308 T HA 0.411 4.760 4.350 -0.003 0.000 0.191 308 T C 0.690 175.364 174.700 -0.044 0.000 0.706 308 T CA 0.460 62.530 62.100 -0.049 0.000 2.251 308 T CB 0.023 68.861 68.868 -0.050 0.000 2.592 308 T HN 0.704 nan 8.240 nan 0.000 0.351 309 S N -0.794 114.876 115.700 -0.049 0.000 2.651 309 S HA 0.580 5.049 4.470 -0.003 0.000 0.279 309 S C -0.601 173.981 174.600 -0.031 0.000 1.148 309 S CA -1.188 56.992 58.200 -0.033 0.000 0.837 309 S CB 0.634 63.803 63.200 -0.053 0.000 1.138 309 S HN 0.633 nan 8.310 nan 0.000 0.478 310 I N 2.161 122.726 120.570 -0.007 0.000 2.742 310 I HA 0.260 4.428 4.170 -0.003 0.000 0.287 310 I C 0.781 176.891 176.117 -0.012 0.000 1.186 310 I CA 0.150 61.452 61.300 0.002 0.000 1.417 310 I CB -0.106 37.917 38.000 0.039 0.000 1.377 310 I HN 0.757 nan 8.210 nan 0.000 0.556 311 A N 6.638 129.449 122.820 -0.016 0.000 2.292 311 A HA 0.329 4.647 4.320 -0.003 0.000 0.319 311 A C 0.869 178.444 177.584 -0.015 0.000 1.206 311 A CA -0.567 51.450 52.037 -0.032 0.000 0.835 311 A CB 0.980 19.959 19.000 -0.035 0.000 1.164 311 A HN 0.770 nan 8.150 nan 0.000 0.505 312 E N 0.323 120.511 120.200 -0.019 0.000 2.299 312 E HA 0.015 4.364 4.350 -0.003 0.000 0.193 312 E C -0.443 176.152 176.600 -0.009 0.000 0.998 312 E CA 0.755 57.151 56.400 -0.008 0.000 0.851 312 E CB 0.347 30.044 29.700 -0.004 0.000 0.795 312 E HN 0.598 nan 8.360 nan 0.000 0.492 313 c N 0.758 119.349 118.600 -0.015 0.000 2.716 313 c HA 0.481 5.049 4.570 -0.003 0.000 0.366 313 c C -1.643 172.443 174.090 -0.006 0.000 1.073 313 c CA -0.851 55.481 56.329 0.004 0.000 1.260 313 c CB 0.356 42.889 42.510 0.039 0.000 1.755 313 c HN 0.115 nan 8.230 nan 0.000 0.475 314 L N 4.320 125.559 121.223 0.026 0.000 2.406 314 L HA 0.699 5.038 4.340 -0.003 0.000 0.272 314 L C -0.079 176.852 176.870 0.101 0.000 0.980 314 L CA 0.342 55.210 54.840 0.048 0.000 0.831 314 L CB 2.157 44.249 42.059 0.055 0.000 1.253 314 L HN 0.719 nan 8.230 nan 0.000 0.406 315 T N 3.611 118.248 114.554 0.139 0.000 2.930 315 T HA 0.232 4.580 4.350 -0.003 0.000 0.313 315 T C -0.871 173.921 174.700 0.152 0.000 1.019 315 T CA -0.326 61.865 62.100 0.152 0.000 1.004 315 T CB 0.144 69.102 68.868 0.150 0.000 0.987 315 T HN 0.248 nan 8.240 nan 0.000 0.456 316 Y N 4.982 125.313 120.300 0.052 0.000 2.721 316 Y HA 0.134 4.682 4.550 -0.003 0.000 0.329 316 Y C 0.409 176.328 175.900 0.033 0.000 1.211 316 Y CA 0.241 58.363 58.100 0.037 0.000 1.512 316 Y CB 0.124 38.592 38.460 0.013 0.000 1.249 316 Y HN 0.591 nan 8.280 nan 0.000 0.549 317 L N 2.764 123.675 121.223 -0.521 0.000 2.578 317 L HA 0.333 4.671 4.340 -0.003 0.000 0.193 317 L C -0.238 176.345 176.870 -0.477 0.000 1.422 317 L CA -0.484 54.146 54.840 -0.349 0.000 2.947 317 L CB -0.051 41.876 42.059 -0.219 0.000 2.780 317 L HN 0.392 nan 8.230 nan 0.000 1.031 318 D N -0.458 119.721 120.400 -0.369 0.000 2.457 318 D HA 0.218 4.856 4.640 -0.003 0.000 0.240 318 D C -0.729 175.452 176.300 -0.199 0.000 1.041 318 D CA -0.361 53.508 54.000 -0.218 0.000 0.861 318 D CB 1.309 42.066 40.800 -0.071 0.000 1.394 318 D HN 0.313 nan 8.370 nan 0.000 0.473 319 N N 1.855 120.533 118.700 -0.036 0.000 2.758 319 N HA -0.173 4.565 4.740 -0.003 0.000 0.248 319 N C 0.710 176.245 175.510 0.041 0.000 1.076 319 N CA 1.090 54.162 53.050 0.037 0.000 0.696 319 N CB -1.168 37.327 38.487 0.012 0.000 0.979 319 N HN 0.837 nan 8.380 nan 0.000 0.550 320 G N -2.115 106.756 108.800 0.118 0.000 2.153 320 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.252 320 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.252 320 G C 0.028 174.934 174.900 0.011 0.000 0.994 320 G CA 0.382 45.585 45.100 0.171 0.000 0.698 320 G HN 0.453 nan 8.290 nan 0.000 0.521 321 V N 0.341 120.139 119.914 -0.192 0.000 2.427 321 V HA 0.669 4.788 4.120 -0.003 0.000 0.286 321 V C 0.401 176.373 176.094 -0.202 0.000 1.034 321 V CA -0.716 61.497 62.300 -0.145 0.000 0.893 321 V CB 1.914 33.672 31.823 -0.108 0.000 0.982 321 V HN 0.290 nan 8.190 nan 0.000 0.452 322 V N 5.088 124.977 119.914 -0.041 0.000 2.540 322 V HA 0.453 4.571 4.120 -0.003 0.000 0.302 322 V C -0.660 175.485 176.094 0.087 0.000 1.035 322 V CA -0.700 61.613 62.300 0.021 0.000 0.873 322 V CB 1.822 33.692 31.823 0.078 0.000 0.992 322 V HN 0.704 nan 8.190 nan 0.000 0.428 323 F N 5.032 124.964 119.950 -0.031 0.000 2.410 323 F HA 0.649 5.174 4.527 -0.003 0.000 0.349 323 F C -0.130 175.674 175.800 0.007 0.000 1.117 323 F CA -0.471 57.521 58.000 -0.014 0.000 1.104 323 F CB 1.355 40.313 39.000 -0.070 0.000 1.122 323 F HN 0.258 nan 8.300 nan 0.000 0.483 324 V N 6.591 126.061 119.914 -0.740 0.000 2.294 324 V HA 0.408 4.526 4.120 -0.003 0.000 0.272 324 V C 0.601 176.178 176.094 -0.862 0.000 1.027 324 V CA -0.635 61.327 62.300 -0.563 0.000 0.823 324 V CB 0.668 32.309 31.823 -0.302 0.000 1.030 324 V HN 0.985 nan 8.190 nan 0.000 0.457 325 G N 2.962 111.409 108.800 -0.588 0.000 2.349 325 G HA2 0.443 4.402 3.960 -0.003 0.000 0.281 325 G HA3 0.443 4.402 3.960 -0.003 0.000 0.281 325 G C -0.103 174.709 174.900 -0.147 0.000 1.182 325 G CA -0.081 44.839 45.100 -0.300 0.000 0.899 325 G HN 0.664 nan 8.290 nan 0.000 0.455 326 S N 1.570 117.208 115.700 -0.103 0.000 2.513 326 S HA 0.483 4.951 4.470 -0.003 0.000 0.299 326 S C 0.968 175.557 174.600 -0.019 0.000 1.087 326 S CA -0.848 57.318 58.200 -0.056 0.000 1.012 326 S CB 2.020 65.183 63.200 -0.061 0.000 1.044 326 S HN 0.655 nan 8.310 nan 0.000 0.485 327 R N 2.623 123.117 120.500 -0.010 0.000 2.142 327 R HA 0.397 4.736 4.340 -0.003 0.000 0.204 327 R C 1.145 177.441 176.300 -0.006 0.000 1.059 327 R CA 0.482 56.579 56.100 -0.005 0.000 1.055 327 R CB -0.099 30.200 30.300 -0.002 0.000 0.976 327 R HN 0.729 nan 8.270 nan 0.000 0.483 328 L N -0.245 120.981 121.223 0.005 0.000 2.585 328 L HA 0.364 4.703 4.340 -0.003 0.000 0.226 328 L C 0.928 177.788 176.870 -0.015 0.000 1.113 328 L CA -0.025 54.817 54.840 0.003 0.000 0.876 328 L CB 0.976 43.073 42.059 0.062 0.000 1.072 328 L HN 0.168 nan 8.230 nan 0.000 0.468 329 G N -1.630 107.159 108.800 -0.018 0.000 2.866 329 G HA2 0.334 4.292 3.960 -0.003 0.000 0.289 329 G HA3 0.334 4.292 3.960 -0.003 0.000 0.289 329 G C -1.668 173.212 174.900 -0.034 0.000 1.396 329 G CA -0.510 44.568 45.100 -0.036 0.000 0.848 329 G HN -0.225 nan 8.290 nan 0.000 0.515 330 D N 0.168 120.543 120.400 -0.043 0.000 2.423 330 D HA 0.426 5.064 4.640 -0.003 0.000 0.238 330 D C 0.770 177.065 176.300 -0.008 0.000 1.142 330 D CA 0.477 54.465 54.000 -0.020 0.000 0.884 330 D CB 1.327 42.101 40.800 -0.043 0.000 1.199 330 D HN 0.151 nan 8.370 nan 0.000 0.438 331 S N 0.353 116.096 115.700 0.071 0.000 2.655 331 S HA 0.464 4.933 4.470 -0.003 0.000 0.265 331 S C -0.250 174.408 174.600 0.097 0.000 1.240 331 S CA -0.601 57.628 58.200 0.049 0.000 0.986 331 S CB 0.699 63.994 63.200 0.158 0.000 0.985 331 S HN 0.511 nan 8.310 nan 0.000 0.562 332 Q N 0.197 119.985 119.800 -0.020 0.000 2.594 332 Q HA 0.457 4.795 4.340 -0.003 0.000 0.278 332 Q C -2.249 173.765 176.000 0.023 0.000 0.961 332 Q CA -0.924 54.857 55.803 -0.037 0.000 0.844 332 Q CB 0.465 29.126 28.738 -0.129 0.000 1.475 332 Q HN 0.390 nan 8.270 nan 0.000 0.389 333 L N 1.557 122.834 121.223 0.090 0.000 2.295 333 L HA 0.720 5.059 4.340 -0.003 0.000 0.285 333 L C -1.007 175.871 176.870 0.014 0.000 1.035 333 L CA -0.707 54.212 54.840 0.131 0.000 0.806 333 L CB 1.720 43.878 42.059 0.166 0.000 1.214 333 L HN 0.630 nan 8.230 nan 0.000 0.426 334 V N 4.268 124.191 119.914 0.015 0.000 2.686 334 V HA 0.495 4.614 4.120 -0.003 0.000 0.306 334 V C -0.696 175.406 176.094 0.014 0.000 1.065 334 V CA -0.918 61.381 62.300 -0.002 0.000 0.894 334 V CB 2.338 34.151 31.823 -0.016 0.000 1.004 334 V HN 0.784 nan 8.190 nan 0.000 0.424 335 K N 6.079 126.487 120.400 0.014 0.000 2.201 335 K HA 0.585 4.904 4.320 -0.003 0.000 0.278 335 K C -1.224 175.407 176.600 0.050 0.000 1.027 335 K CA -0.148 56.154 56.287 0.026 0.000 0.909 335 K CB 0.998 33.509 32.500 0.017 0.000 1.062 335 K HN 0.628 nan 8.250 nan 0.000 0.465 336 L N 4.583 125.855 121.223 0.081 0.000 2.282 336 L HA 0.405 4.744 4.340 -0.003 0.000 0.288 336 L C -0.166 176.772 176.870 0.113 0.000 1.033 336 L CA -0.870 54.036 54.840 0.111 0.000 0.807 336 L CB 1.324 43.470 42.059 0.144 0.000 1.209 336 L HN 0.701 nan 8.230 nan 0.000 0.423 337 N N 1.169 119.950 118.700 0.134 0.000 2.443 337 N HA 0.299 5.037 4.740 -0.003 0.000 0.293 337 N C 0.780 176.407 175.510 0.196 0.000 1.159 337 N CA -0.562 52.566 53.050 0.129 0.000 0.904 337 N CB 2.526 41.063 38.487 0.083 0.000 1.214 337 N HN 0.208 nan 8.380 nan 0.000 0.513 338 V N 0.098 120.100 119.914 0.146 0.000 2.283 338 V HA -0.087 4.032 4.120 -0.003 0.000 0.243 338 V C 0.362 176.608 176.094 0.252 0.000 1.039 338 V CA 1.344 63.738 62.300 0.157 0.000 1.016 338 V CB -0.271 31.606 31.823 0.090 0.000 0.650 338 V HN 0.556 nan 8.190 nan 0.000 0.449 339 D N 1.333 121.823 120.400 0.150 0.000 2.255 339 D HA 0.258 4.897 4.640 -0.003 0.000 0.249 339 D C 0.254 176.495 176.300 -0.100 0.000 1.078 339 D CA 0.224 54.273 54.000 0.082 0.000 0.896 339 D CB 1.461 42.273 40.800 0.019 0.000 1.194 339 D HN 0.399 nan 8.370 nan 0.000 0.429 340 S N 1.838 117.296 115.700 -0.404 0.000 2.505 340 S HA 0.099 4.568 4.470 -0.003 0.000 0.276 340 S C 0.552 174.928 174.600 -0.373 0.000 1.274 340 S CA -0.882 56.800 58.200 -0.863 0.000 1.053 340 S CB 0.883 63.449 63.200 -1.057 0.000 0.919 340 S HN 0.496 nan 8.310 nan 0.000 0.490 341 N N 2.611 121.140 118.700 -0.284 0.000 2.332 341 N HA 0.091 4.830 4.740 -0.003 0.000 0.285 341 N C 0.081 175.507 175.510 -0.139 0.000 1.292 341 N CA -0.472 52.483 53.050 -0.159 0.000 0.947 341 N CB -0.538 37.883 38.487 -0.110 0.000 1.084 341 N HN 0.856 nan 8.380 nan 0.000 0.529 342 E N -1.060 119.083 120.200 -0.095 0.000 2.485 342 E HA -0.203 4.145 4.350 -0.003 0.000 0.266 342 E C -0.180 176.368 176.600 -0.087 0.000 1.090 342 E CA 0.758 57.111 56.400 -0.078 0.000 0.987 342 E CB 0.158 29.822 29.700 -0.059 0.000 0.974 342 E HN 0.531 nan 8.360 nan 0.000 0.455 343 Q N 0.306 120.063 119.800 -0.073 0.000 2.177 343 Q HA -0.291 4.048 4.340 -0.003 0.000 0.174 343 Q C 0.671 176.620 176.000 -0.084 0.000 0.609 343 Q CA 1.492 57.253 55.803 -0.070 0.000 1.453 343 Q CB -1.768 26.931 28.738 -0.065 0.000 1.591 343 Q HN 1.000 nan 8.270 nan 0.000 0.818 344 G N -0.314 108.414 108.800 -0.120 0.000 2.212 344 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.255 344 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.255 344 G C -0.178 174.594 174.900 -0.214 0.000 1.062 344 G CA 0.400 45.401 45.100 -0.165 0.000 0.815 344 G HN 0.773 nan 8.290 nan 0.000 0.497 345 S N -1.146 114.416 115.700 -0.229 0.000 2.472 345 S HA 0.691 5.159 4.470 -0.003 0.000 0.303 345 S C 0.978 175.415 174.600 -0.271 0.000 1.099 345 S CA -0.583 57.510 58.200 -0.178 0.000 1.077 345 S CB 0.982 64.131 63.200 -0.085 0.000 1.031 345 S HN 0.322 nan 8.310 nan 0.000 0.487 346 Y N 2.870 123.150 120.300 -0.033 0.000 2.511 346 Y HA 0.268 4.817 4.550 -0.003 0.000 0.279 346 Y C 0.497 176.387 175.900 -0.016 0.000 1.157 346 Y CA -0.070 58.019 58.100 -0.020 0.000 1.300 346 Y CB 0.476 38.926 38.460 -0.018 0.000 1.052 346 Y HN 0.389 nan 8.280 nan 0.000 0.529 347 V N 1.166 121.131 119.914 0.085 0.000 2.417 347 V HA 0.446 4.565 4.120 -0.003 0.000 0.291 347 V C -0.365 175.732 176.094 0.004 0.000 1.024 347 V CA -1.069 61.258 62.300 0.044 0.000 0.861 347 V CB 1.579 33.416 31.823 0.023 0.000 0.985 347 V HN -0.227 nan 8.190 nan 0.000 0.436 348 V N 3.412 123.328 119.914 0.003 0.000 2.638 348 V HA 0.744 4.862 4.120 -0.003 0.000 0.306 348 V C 0.343 176.427 176.094 -0.018 0.000 1.052 348 V CA -0.731 61.561 62.300 -0.014 0.000 0.885 348 V CB 1.927 33.743 31.823 -0.013 0.000 0.999 348 V HN 1.008 nan 8.190 nan 0.000 0.424 349 A N 4.933 127.734 122.820 -0.031 0.000 2.366 349 A HA 0.668 4.986 4.320 -0.003 0.000 0.272 349 A C 0.620 178.175 177.584 -0.050 0.000 1.135 349 A CA -0.183 51.827 52.037 -0.046 0.000 0.804 349 A CB 0.534 19.497 19.000 -0.061 0.000 1.064 349 A HN 0.919 nan 8.150 nan 0.000 0.499 350 M N 0.811 120.379 119.600 -0.053 0.000 2.557 350 M HA 0.220 4.699 4.480 -0.003 0.000 0.262 350 M C 0.871 177.112 176.300 -0.098 0.000 1.168 350 M CA 1.030 56.299 55.300 -0.053 0.000 1.194 350 M CB 0.266 32.851 32.600 -0.025 0.000 1.311 350 M HN 0.801 nan 8.290 nan 0.000 0.489 351 E N -0.464 119.644 120.200 -0.153 0.000 2.367 351 E HA 0.387 4.735 4.350 -0.003 0.000 0.273 351 E C -1.420 174.873 176.600 -0.511 0.000 0.903 351 E CA -0.433 55.771 56.400 -0.327 0.000 0.764 351 E CB 2.486 31.977 29.700 -0.350 0.000 1.252 351 E HN -0.110 nan 8.360 nan 0.000 0.446 352 T N 2.604 116.756 114.554 -0.671 0.000 2.879 352 T HA 0.467 4.815 4.350 -0.003 0.000 0.290 352 T C -1.306 172.985 174.700 -0.682 0.000 0.993 352 T CA -0.471 61.300 62.100 -0.548 0.000 0.975 352 T CB 0.176 68.879 68.868 -0.275 0.000 0.981 352 T HN 0.236 nan 8.240 nan 0.000 0.439 353 F N 1.313 121.255 119.950 -0.013 0.000 2.444 353 F HA 0.359 4.884 4.527 -0.003 0.000 0.342 353 F C 1.249 177.039 175.800 -0.018 0.000 1.121 353 F CA -1.033 56.969 58.000 0.003 0.000 0.997 353 F CB 1.176 40.209 39.000 0.054 0.000 1.130 353 F HN 0.309 nan 8.300 nan 0.000 0.454 354 T N 3.063 117.699 114.554 0.137 0.000 2.778 354 T HA -0.086 4.263 4.350 -0.003 0.000 0.282 354 T C -0.119 174.611 174.700 0.049 0.000 0.983 354 T CA 0.587 62.715 62.100 0.046 0.000 1.193 354 T CB -0.554 68.323 68.868 0.016 0.000 0.938 354 T HN 0.430 nan 8.240 nan 0.000 0.523 355 N N 3.720 122.426 118.700 0.011 0.000 2.407 355 N HA 0.239 4.978 4.740 -0.003 0.000 0.277 355 N C 0.655 176.143 175.510 -0.036 0.000 0.995 355 N CA -0.774 52.274 53.050 -0.002 0.000 0.903 355 N CB 0.896 39.383 38.487 0.001 0.000 1.218 355 N HN 0.445 nan 8.380 nan 0.000 0.487 356 L N 2.442 123.641 121.223 -0.040 0.000 2.749 356 L HA 0.192 4.530 4.340 -0.003 0.000 0.245 356 L C 1.429 178.264 176.870 -0.058 0.000 1.156 356 L CA 0.284 55.088 54.840 -0.061 0.000 0.890 356 L CB -1.464 40.558 42.059 -0.062 0.000 1.036 356 L HN 0.822 nan 8.230 nan 0.000 0.441 357 G N 0.820 109.592 108.800 -0.046 0.000 2.641 357 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.254 357 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.254 357 G C -2.627 172.249 174.900 -0.042 0.000 1.315 357 G CA -0.883 44.187 45.100 -0.049 0.000 0.907 357 G HN 0.155 nan 8.290 nan 0.000 0.572 358 P HA 0.341 nan 4.420 nan 0.000 0.270 358 P C 0.329 177.603 177.300 -0.043 0.000 1.242 358 P CA -0.118 62.961 63.100 -0.036 0.000 0.768 358 P CB 0.233 31.904 31.700 -0.049 0.000 0.820 359 I N 4.124 124.677 120.570 -0.029 0.000 2.483 359 I HA -0.052 4.116 4.170 -0.003 0.000 0.291 359 I C 1.613 177.717 176.117 -0.022 0.000 1.112 359 I CA 0.061 61.339 61.300 -0.036 0.000 1.350 359 I CB 0.455 38.435 38.000 -0.033 0.000 1.419 359 I HN 0.206 nan 8.210 nan 0.000 0.523 360 V N 4.816 124.709 119.914 -0.035 0.000 2.535 360 V HA -0.029 4.089 4.120 -0.003 0.000 0.246 360 V C 0.455 176.547 176.094 -0.003 0.000 1.045 360 V CA 1.476 63.765 62.300 -0.018 0.000 1.058 360 V CB -0.257 31.539 31.823 -0.045 0.000 0.689 360 V HN 0.876 nan 8.190 nan 0.000 0.461 361 D N -1.380 119.012 120.400 -0.013 0.000 2.653 361 D HA 0.514 5.152 4.640 -0.003 0.000 0.258 361 D C -0.845 175.451 176.300 -0.007 0.000 1.252 361 D CA -0.531 53.472 54.000 0.004 0.000 0.777 361 D CB 1.631 42.445 40.800 0.023 0.000 1.339 361 D HN 0.152 nan 8.370 nan 0.000 0.422 362 M N 0.027 119.635 119.600 0.013 0.000 3.008 362 M HA 0.745 5.223 4.480 -0.003 0.000 0.271 362 M C -1.610 174.723 176.300 0.054 0.000 1.265 362 M CA -0.809 54.495 55.300 0.008 0.000 0.817 362 M CB 2.039 34.630 32.600 -0.015 0.000 1.638 362 M HN 0.840 nan 8.290 nan 0.000 0.479 363 C N -0.388 118.949 119.300 0.061 0.000 3.284 363 C HA 0.796 5.254 4.460 -0.003 0.000 0.338 363 C C -1.023 174.022 174.990 0.092 0.000 1.237 363 C CA -0.746 58.337 59.018 0.109 0.000 1.276 363 C CB 1.196 29.044 27.740 0.180 0.000 1.601 363 C HN 0.840 nan 8.230 nan 0.000 0.494 364 V N 2.478 122.448 119.914 0.093 0.000 2.406 364 V HA 0.607 4.725 4.120 -0.003 0.000 0.272 364 V C -0.004 176.118 176.094 0.048 0.000 1.043 364 V CA 0.003 62.342 62.300 0.065 0.000 0.915 364 V CB 1.237 33.097 31.823 0.062 0.000 0.988 364 V HN 0.809 nan 8.190 nan 0.000 0.466 365 V N 3.717 123.633 119.914 0.004 0.000 2.588 365 V HA 0.347 4.466 4.120 -0.003 0.000 0.304 365 V C -0.376 175.685 176.094 -0.056 0.000 1.042 365 V CA -0.871 61.368 62.300 -0.101 0.000 0.877 365 V CB 2.152 33.764 31.823 -0.351 0.000 0.996 365 V HN 0.792 nan 8.190 nan 0.000 0.425 366 D N 4.189 124.567 120.400 -0.037 0.000 2.482 366 D HA 0.105 4.743 4.640 -0.003 0.000 0.244 366 D C 1.120 177.411 176.300 -0.015 0.000 1.242 366 D CA 0.440 54.438 54.000 -0.003 0.000 1.097 366 D CB 0.507 41.320 40.800 0.022 0.000 1.109 366 D HN 0.415 nan 8.370 nan 0.000 0.510 367 L N 1.037 122.261 121.223 0.001 0.000 1.988 367 L HA -0.105 4.234 4.340 -0.003 0.000 0.207 367 L C 1.525 178.431 176.870 0.060 0.000 1.071 367 L CA 1.020 55.868 54.840 0.014 0.000 0.744 367 L CB 0.145 42.263 42.059 0.099 0.000 0.893 367 L HN 0.191 nan 8.230 nan 0.000 0.433 368 E N 1.019 121.275 120.200 0.092 0.000 2.338 368 E HA 0.068 4.416 4.350 -0.003 0.000 0.231 368 E C -0.343 176.308 176.600 0.086 0.000 1.231 368 E CA -0.128 56.345 56.400 0.122 0.000 1.490 368 E CB 0.035 29.802 29.700 0.112 0.000 1.360 368 E HN 0.262 nan 8.360 nan 0.000 0.435 369 R N 0.517 121.062 120.500 0.075 0.000 3.322 369 R HA -0.233 4.105 4.340 -0.003 0.000 0.253 369 R C -0.371 175.952 176.300 0.039 0.000 0.987 369 R CA 0.663 56.799 56.100 0.060 0.000 0.666 369 R CB -2.049 28.295 30.300 0.073 0.000 1.072 369 R HN 0.367 nan 8.270 nan 0.000 0.447 370 Q N -1.092 118.725 119.800 0.030 0.000 2.377 370 Q HA 0.413 4.752 4.340 -0.003 0.000 0.271 370 Q C 1.094 177.103 176.000 0.015 0.000 1.077 370 Q CA -0.242 55.571 55.803 0.016 0.000 0.820 370 Q CB 1.568 30.310 28.738 0.007 0.000 1.347 370 Q HN 0.281 nan 8.270 nan 0.000 0.444 371 G N 1.089 109.895 108.800 0.010 0.000 3.024 371 G HA2 -0.176 3.782 3.960 -0.003 0.000 0.202 371 G HA3 -0.176 3.782 3.960 -0.003 0.000 0.202 371 G C 0.404 175.309 174.900 0.009 0.000 1.195 371 G CA 0.469 45.575 45.100 0.010 0.000 0.924 371 G HN 0.551 nan 8.290 nan 0.000 0.500 372 Q N -0.095 119.712 119.800 0.011 0.000 1.988 372 Q HA 0.549 4.888 4.340 -0.003 0.000 0.651 372 Q C 0.938 176.948 176.000 0.017 0.000 0.977 372 Q CA 0.360 56.170 55.803 0.011 0.000 0.748 372 Q CB -0.175 28.570 28.738 0.012 0.000 3.195 372 Q HN 0.431 nan 8.270 nan 0.000 0.286 373 G N -0.285 108.528 108.800 0.021 0.000 2.040 373 G HA2 0.156 4.115 3.960 -0.003 0.000 0.195 373 G HA3 0.156 4.115 3.960 -0.003 0.000 0.195 373 G C -1.591 173.323 174.900 0.024 0.000 2.245 373 G CA -0.859 44.256 45.100 0.024 0.000 0.911 373 G HN 0.178 nan 8.290 nan 0.000 0.566 374 Q N 1.325 121.140 119.800 0.025 0.000 2.307 374 Q HA 0.436 4.774 4.340 -0.003 0.000 0.262 374 Q C -0.564 175.444 176.000 0.013 0.000 0.961 374 Q CA -0.970 54.848 55.803 0.026 0.000 0.882 374 Q CB 2.872 31.638 28.738 0.045 0.000 1.264 374 Q HN 0.481 nan 8.270 nan 0.000 0.446 375 L N 3.645 124.864 121.223 -0.007 0.000 2.305 375 L HA 0.354 4.693 4.340 -0.003 0.000 0.281 375 L C -0.945 175.889 176.870 -0.060 0.000 1.085 375 L CA -0.296 54.529 54.840 -0.024 0.000 0.813 375 L CB 1.400 43.437 42.059 -0.037 0.000 1.157 375 L HN 0.326 nan 8.230 nan 0.000 0.436 376 V N 3.887 123.759 119.914 -0.070 0.000 2.444 376 V HA 0.593 4.711 4.120 -0.003 0.000 0.294 376 V C -0.003 176.005 176.094 -0.144 0.000 1.022 376 V CA -0.506 61.698 62.300 -0.159 0.000 0.850 376 V CB 1.730 33.390 31.823 -0.272 0.000 0.992 376 V HN 0.909 nan 8.190 nan 0.000 0.426 377 T N 0.683 115.140 114.554 -0.163 0.000 2.856 377 T HA 0.439 4.787 4.350 -0.003 0.000 0.283 377 T C -0.312 174.304 174.700 -0.139 0.000 1.008 377 T CA -0.609 61.417 62.100 -0.123 0.000 0.997 377 T CB 1.326 70.129 68.868 -0.110 0.000 0.992 377 T HN 0.561 nan 8.240 nan 0.000 0.454 378 C N 3.516 122.754 119.300 -0.104 0.000 2.442 378 C HA 0.651 5.110 4.460 -0.003 0.000 0.362 378 C C 0.788 175.714 174.990 -0.106 0.000 1.242 378 C CA -0.263 58.691 59.018 -0.105 0.000 1.741 378 C CB -1.555 26.140 27.740 -0.075 0.000 2.378 378 C HN 0.938 nan 8.230 nan 0.000 0.549 379 S N 1.646 117.270 115.700 -0.126 0.000 2.566 379 S HA 0.898 5.367 4.470 -0.003 0.000 0.298 379 S C 0.311 174.833 174.600 -0.131 0.000 1.083 379 S CA 0.542 58.671 58.200 -0.118 0.000 0.978 379 S CB 1.776 64.904 63.200 -0.120 0.000 1.073 379 S HN 1.467 nan 8.310 nan 0.000 0.491 380 G N 0.966 109.694 108.800 -0.119 0.000 2.741 380 G HA2 0.360 4.318 3.960 -0.003 0.000 0.222 380 G HA3 0.360 4.318 3.960 -0.003 0.000 0.222 380 G C -0.453 174.337 174.900 -0.183 0.000 1.364 380 G CA -0.233 44.791 45.100 -0.126 0.000 0.866 380 G HN 1.599 nan 8.290 nan 0.000 0.555 381 A N -1.672 121.027 122.820 -0.201 0.000 2.612 381 A HA 1.016 5.334 4.320 -0.003 0.000 0.293 381 A C 0.261 177.678 177.584 -0.279 0.000 1.075 381 A CA 0.464 52.238 52.037 -0.439 0.000 0.680 381 A CB 0.428 19.025 19.000 -0.670 0.000 1.279 381 A HN 2.331 nan 8.150 nan 0.000 0.411 382 F N 0.043 119.959 119.950 -0.056 0.000 1.692 382 F HA -0.427 4.098 4.527 -0.002 0.000 0.191 382 F C 2.326 178.100 175.800 -0.043 0.000 0.146 382 F CA 1.760 59.733 58.000 -0.045 0.000 0.579 382 F CB -0.621 38.362 39.000 -0.029 0.000 2.449 382 F HN 0.839 nan 8.300 nan 0.000 0.549 383 K N 0.859 121.393 120.400 0.223 0.000 2.362 383 K HA -0.185 4.133 4.320 -0.003 0.000 0.202 383 K C 0.939 177.552 176.600 0.022 0.000 1.045 383 K CA 2.084 58.448 56.287 0.129 0.000 0.936 383 K CB -0.384 32.202 32.500 0.145 0.000 0.747 383 K HN 0.585 nan 8.250 nan 0.000 0.467 384 E N 1.258 121.467 120.200 0.016 0.000 2.502 384 E HA 0.040 4.388 4.350 -0.003 0.000 0.194 384 E C 0.883 177.398 176.600 -0.142 0.000 1.062 384 E CA 0.437 56.795 56.400 -0.070 0.000 0.867 384 E CB -0.008 29.676 29.700 -0.026 0.000 0.888 384 E HN 0.463 nan 8.360 nan 0.000 0.510 385 G N 1.635 110.348 108.800 -0.146 0.000 2.559 385 G HA2 0.228 4.187 3.960 -0.003 0.000 0.235 385 G HA3 0.228 4.187 3.960 -0.003 0.000 0.235 385 G C 0.152 174.918 174.900 -0.222 0.000 1.266 385 G CA 0.523 45.517 45.100 -0.178 0.000 0.847 385 G HN 0.210 nan 8.290 nan 0.000 0.583 386 S N 0.294 115.874 115.700 -0.199 0.000 2.636 386 S HA 0.590 5.058 4.470 -0.003 0.000 0.266 386 S C -1.057 173.430 174.600 -0.188 0.000 1.147 386 S CA -1.046 57.027 58.200 -0.212 0.000 0.815 386 S CB 0.810 63.877 63.200 -0.221 0.000 1.119 386 S HN 0.632 nan 8.310 nan 0.000 0.470 387 L N 1.051 122.150 121.223 -0.208 0.000 2.331 387 L HA 0.746 5.084 4.340 -0.003 0.000 0.275 387 L C -0.073 176.632 176.870 -0.275 0.000 1.022 387 L CA -1.038 53.658 54.840 -0.240 0.000 0.812 387 L CB 1.302 43.193 42.059 -0.280 0.000 1.257 387 L HN 0.566 nan 8.230 nan 0.000 0.435 388 R N 2.476 122.816 120.500 -0.267 0.000 2.561 388 R HA 0.552 4.890 4.340 -0.003 0.000 0.297 388 R C -1.261 174.863 176.300 -0.293 0.000 0.969 388 R CA -0.854 55.086 56.100 -0.267 0.000 0.879 388 R CB 2.107 32.290 30.300 -0.195 0.000 1.178 388 R HN 0.387 nan 8.270 nan 0.000 0.445 389 I N 3.953 124.326 120.570 -0.328 0.000 2.306 389 I HA 0.290 4.458 4.170 -0.003 0.000 0.288 389 I C 0.063 176.071 176.117 -0.182 0.000 1.036 389 I CA -0.318 60.825 61.300 -0.262 0.000 1.221 389 I CB 0.685 38.503 38.000 -0.302 0.000 1.385 389 I HN 0.376 nan 8.210 nan 0.000 0.472 390 I N 6.510 127.006 120.570 -0.122 0.000 2.304 390 I HA 0.388 4.556 4.170 -0.003 0.000 0.291 390 I C 0.416 176.517 176.117 -0.026 0.000 1.018 390 I CA -0.103 61.144 61.300 -0.088 0.000 1.260 390 I CB 0.519 38.474 38.000 -0.074 0.000 1.390 390 I HN 0.489 nan 8.210 nan 0.000 0.475 391 R N 4.564 125.072 120.500 0.013 0.000 2.514 391 R HA 0.407 4.746 4.340 -0.003 0.000 0.301 391 R C -0.605 175.741 176.300 0.078 0.000 0.962 391 R CA -0.816 55.331 56.100 0.080 0.000 0.882 391 R CB 1.069 31.479 30.300 0.183 0.000 1.143 391 R HN 0.515 nan 8.270 nan 0.000 0.452 392 N N 1.419 120.152 118.700 0.055 0.000 2.499 392 N HA 0.320 5.058 4.740 -0.003 0.000 0.281 392 N C -0.138 175.395 175.510 0.037 0.000 1.098 392 N CA 1.325 54.401 53.050 0.043 0.000 0.979 392 N CB 1.514 40.017 38.487 0.026 0.000 1.121 392 N HN 0.881 nan 8.380 nan 0.000 0.466 393 G N 1.835 110.656 108.800 0.035 0.000 2.741 393 G HA2 -0.184 3.774 3.960 -0.003 0.000 0.222 393 G HA3 -0.184 3.774 3.960 -0.003 0.000 0.222 393 G C -0.876 174.043 174.900 0.031 0.000 1.364 393 G CA -0.550 44.562 45.100 0.021 0.000 0.866 393 G HN 0.507 nan 8.290 nan 0.000 0.555 394 I N 1.328 121.908 120.570 0.016 0.000 2.474 394 I HA 0.642 4.810 4.170 -0.003 0.000 0.294 394 I C 1.061 177.170 176.117 -0.013 0.000 1.005 394 I CA 0.253 61.563 61.300 0.017 0.000 1.113 394 I CB 0.826 38.872 38.000 0.076 0.000 1.289 394 I HN 1.055 nan 8.210 nan 0.000 0.436 395 G N 5.589 114.364 108.800 -0.041 0.000 2.489 395 G HA2 0.836 4.794 3.960 -0.003 0.000 0.327 395 G HA3 0.836 4.794 3.960 -0.003 0.000 0.327 395 G C -0.930 173.945 174.900 -0.042 0.000 1.189 395 G CA -0.568 44.495 45.100 -0.062 0.000 0.962 395 G HN 0.642 nan 8.290 nan 0.000 0.486 396 I N -2.320 118.201 120.570 -0.082 0.000 2.569 396 I HA 0.446 4.614 4.170 -0.003 0.000 0.290 396 I C -0.924 175.123 176.117 -0.117 0.000 1.088 396 I CA -0.999 60.266 61.300 -0.058 0.000 1.047 396 I CB 2.247 40.197 38.000 -0.084 0.000 1.237 396 I HN 0.414 nan 8.210 nan 0.000 0.421 397 H N 4.701 123.715 119.070 -0.094 0.000 2.604 397 H HA 0.316 4.870 4.556 -0.003 0.000 0.306 397 H C -0.746 174.481 175.328 -0.170 0.000 1.075 397 H CA -0.408 55.600 56.048 -0.067 0.000 1.357 397 H CB 1.616 31.393 29.762 0.026 0.000 1.426 397 H HN 0.651 nan 8.280 nan 0.000 0.470 398 E N 3.165 123.358 120.200 -0.012 0.000 2.104 398 E HA 0.036 4.384 4.350 -0.003 0.000 0.278 398 E C 0.341 176.998 176.600 0.095 0.000 1.127 398 E CA -0.063 56.314 56.400 -0.039 0.000 0.897 398 E CB 0.671 30.360 29.700 -0.019 0.000 1.043 398 E HN 0.720 nan 8.360 nan 0.000 0.410 399 H N 2.073 121.208 119.070 0.108 0.000 2.276 399 H HA 0.108 4.663 4.556 -0.003 0.000 0.307 399 H C 0.534 175.963 175.328 0.169 0.000 1.061 399 H CA 0.369 56.511 56.048 0.156 0.000 1.336 399 H CB 0.333 30.249 29.762 0.256 0.000 1.396 399 H HN 0.432 nan 8.280 nan 0.000 0.503 400 A N 0.215 123.205 122.820 0.284 0.000 2.374 400 A HA 0.557 4.876 4.320 -0.003 0.000 0.317 400 A C -0.713 176.889 177.584 0.031 0.000 1.094 400 A CA -0.516 51.618 52.037 0.162 0.000 0.765 400 A CB 1.717 20.835 19.000 0.197 0.000 1.268 400 A HN 0.193 nan 8.150 nan 0.000 0.438 401 S N 1.408 117.126 115.700 0.029 0.000 2.652 401 S HA 0.499 4.967 4.470 -0.003 0.000 0.252 401 S C -1.213 173.391 174.600 0.007 0.000 1.219 401 S CA -0.331 57.869 58.200 0.000 0.000 1.151 401 S CB -0.423 62.779 63.200 0.005 0.000 1.080 401 S HN 0.485 nan 8.310 nan 0.000 0.481 402 I N 5.189 125.756 120.570 -0.005 0.000 2.315 402 I HA 0.277 4.445 4.170 -0.003 0.000 0.291 402 I C 0.155 176.279 176.117 0.011 0.000 1.006 402 I CA -0.499 60.806 61.300 0.008 0.000 1.265 402 I CB 1.068 39.072 38.000 0.007 0.000 1.387 402 I HN 0.527 nan 8.210 nan 0.000 0.475 403 D N 7.373 127.784 120.400 0.019 0.000 2.302 403 D HA 0.423 5.061 4.640 -0.003 0.000 0.248 403 D C -0.675 175.650 176.300 0.041 0.000 1.094 403 D CA -0.451 53.564 54.000 0.025 0.000 0.897 403 D CB 2.268 43.080 40.800 0.019 0.000 1.200 403 D HN 0.276 nan 8.370 nan 0.000 0.429 404 L N 2.085 123.345 121.223 0.061 0.000 2.929 404 L HA 0.217 4.556 4.340 -0.003 0.000 0.246 404 L C -2.688 174.267 176.870 0.142 0.000 0.960 404 L CA -0.978 53.922 54.840 0.100 0.000 1.056 404 L CB 1.633 43.788 42.059 0.160 0.000 1.437 404 L HN 0.235 nan 8.230 nan 0.000 0.514 405 P HA 0.203 nan 4.420 nan 0.000 0.269 405 P C 0.794 178.210 177.300 0.193 0.000 1.205 405 P CA 1.184 64.345 63.100 0.102 0.000 0.780 405 P CB 0.533 32.259 31.700 0.044 0.000 0.858 406 G N 1.259 110.165 108.800 0.177 0.000 2.321 406 G HA2 -0.281 3.677 3.960 -0.003 0.000 0.287 406 G HA3 -0.281 3.677 3.960 -0.003 0.000 0.287 406 G C 0.203 175.308 174.900 0.341 0.000 1.018 406 G CA -0.147 45.088 45.100 0.225 0.000 0.855 406 G HN 0.477 nan 8.290 nan 0.000 0.507 407 I N -0.523 120.199 120.570 0.253 0.000 2.648 407 I HA 0.151 4.319 4.170 -0.003 0.000 0.284 407 I C 1.144 177.238 176.117 -0.038 0.000 1.153 407 I CA 0.582 61.873 61.300 -0.015 0.000 1.426 407 I CB 0.686 38.631 38.000 -0.092 0.000 1.381 407 I HN 0.001 nan 8.210 nan 0.000 0.571 408 K N 4.791 125.034 120.400 -0.261 0.000 2.972 408 K HA 0.427 4.746 4.320 -0.003 0.000 0.209 408 K C -0.177 175.864 176.600 -0.930 0.000 1.128 408 K CA -0.266 55.776 56.287 -0.408 0.000 1.024 408 K CB 1.310 33.792 32.500 -0.031 0.000 0.754 408 K HN 0.955 nan 8.250 nan 0.000 0.454 409 G N 1.019 109.106 108.800 -1.188 0.000 2.343 409 G HA2 0.175 4.133 3.960 -0.003 0.000 0.298 409 G HA3 0.175 4.133 3.960 -0.003 0.000 0.298 409 G C -1.831 172.379 174.900 -1.149 0.000 1.644 409 G CA -0.983 43.380 45.100 -1.229 0.000 0.958 409 G HN 0.032 nan 8.290 nan 0.000 0.702 410 L N 0.776 121.106 121.223 -1.489 0.000 2.464 410 L HA 0.686 5.025 4.340 -0.003 0.000 0.266 410 L C -1.015 175.159 176.870 -1.160 0.000 0.965 410 L CA -0.731 53.510 54.840 -0.998 0.000 0.833 410 L CB 2.387 44.139 42.059 -0.512 0.000 1.296 410 L HN 0.650 nan 8.230 nan 0.000 0.405 411 W N 3.165 124.362 121.300 -0.172 0.000 3.097 411 W HA 0.369 5.028 4.660 -0.002 0.000 0.335 411 W C -2.668 173.765 176.519 -0.143 0.000 1.114 411 W CA -1.542 55.685 57.345 -0.198 0.000 1.231 411 W CB 2.336 31.608 29.460 -0.313 0.000 1.388 411 W HN 0.117 nan 8.180 nan 0.000 0.485 412 P HA 0.441 nan 4.420 nan 0.000 0.282 412 P C -1.043 176.383 177.300 0.210 0.000 1.249 412 P CA -0.280 62.815 63.100 -0.009 0.000 0.806 412 P CB 2.161 33.689 31.700 -0.287 0.000 0.984 413 L N 2.083 123.499 121.223 0.322 0.000 2.445 413 L HA 0.588 4.926 4.340 -0.003 0.000 0.262 413 L C -0.545 176.470 176.870 0.241 0.000 0.974 413 L CA -0.703 54.325 54.840 0.312 0.000 0.822 413 L CB 2.376 44.494 42.059 0.098 0.000 1.339 413 L HN 0.382 nan 8.230 nan 0.000 0.409 414 R N 2.018 122.520 120.500 0.004 0.000 2.468 414 R HA 0.468 4.806 4.340 -0.003 0.000 0.302 414 R C -0.921 175.302 176.300 -0.128 0.000 1.041 414 R CA -0.200 55.792 56.100 -0.181 0.000 0.899 414 R CB 1.507 31.382 30.300 -0.708 0.000 1.167 414 R HN 0.641 nan 8.270 nan 0.000 0.483 415 S N 3.335 118.990 115.700 -0.075 0.000 3.122 415 S HA 0.064 4.532 4.470 -0.003 0.000 0.249 415 S C -0.825 173.741 174.600 -0.056 0.000 1.334 415 S CA 0.108 58.271 58.200 -0.061 0.000 1.251 415 S CB -0.378 62.795 63.200 -0.045 0.000 1.034 415 S HN 0.614 nan 8.310 nan 0.000 0.478 416 D N 0.254 120.609 120.400 -0.076 0.000 2.804 416 D HA 0.264 4.903 4.640 -0.003 0.000 0.209 416 D C -2.613 173.643 176.300 -0.074 0.000 1.314 416 D CA -1.319 52.644 54.000 -0.061 0.000 0.894 416 D CB 1.479 42.248 40.800 -0.052 0.000 1.615 416 D HN -0.150 nan 8.370 nan 0.000 0.571 417 P HA 0.119 nan 4.420 nan 0.000 0.242 417 P C 0.433 177.709 177.300 -0.040 0.000 1.197 417 P CA 0.325 63.399 63.100 -0.042 0.000 0.765 417 P CB 0.379 32.069 31.700 -0.017 0.000 0.936 418 N N 0.099 118.774 118.700 -0.040 0.000 2.319 418 N HA 0.020 4.759 4.740 -0.003 0.000 0.189 418 N C 1.192 176.682 175.510 -0.033 0.000 1.042 418 N CA 0.543 53.577 53.050 -0.028 0.000 0.879 418 N CB -0.409 38.067 38.487 -0.018 0.000 1.052 418 N HN 0.246 nan 8.380 nan 0.000 0.446 419 R N 1.079 121.553 120.500 -0.044 0.000 2.697 419 R HA 0.294 4.633 4.340 -0.003 0.000 0.262 419 R C -0.000 176.267 176.300 -0.054 0.000 1.255 419 R CA -0.029 56.051 56.100 -0.034 0.000 1.136 419 R CB 0.232 30.516 30.300 -0.025 0.000 1.169 419 R HN -0.010 nan 8.270 nan 0.000 0.594 420 E N -0.680 119.512 120.200 -0.012 0.000 2.630 420 E HA 0.044 4.393 4.350 -0.003 0.000 0.218 420 E C -0.744 175.932 176.600 0.126 0.000 0.977 420 E CA -0.109 56.309 56.400 0.029 0.000 1.038 420 E CB 1.404 31.159 29.700 0.092 0.000 1.051 420 E HN 0.673 nan 8.360 nan 0.000 0.487 421 T N -0.902 113.695 114.554 0.072 0.000 2.767 421 T HA 0.350 4.698 4.350 -0.003 0.000 0.288 421 T C -0.391 174.385 174.700 0.126 0.000 0.963 421 T CA -0.614 61.591 62.100 0.175 0.000 1.019 421 T CB 0.433 69.369 68.868 0.113 0.000 0.923 421 T HN -0.138 nan 8.240 nan 0.000 0.468 422 Y N 2.465 122.788 120.300 0.039 0.000 2.374 422 Y HA 0.452 5.001 4.550 -0.003 0.000 0.322 422 Y C 1.290 177.210 175.900 0.034 0.000 1.275 422 Y CA -0.926 57.193 58.100 0.032 0.000 1.307 422 Y CB 1.048 39.526 38.460 0.031 0.000 1.282 422 Y HN 0.831 nan 8.280 nan 0.000 0.509 423 D N -2.334 118.166 120.400 0.168 0.000 2.567 423 D HA 0.093 4.732 4.640 -0.003 0.000 0.268 423 D C -0.723 175.622 176.300 0.075 0.000 1.448 423 D CA -0.008 54.056 54.000 0.106 0.000 0.811 423 D CB -0.169 40.668 40.800 0.061 0.000 1.192 423 D HN 0.397 nan 8.370 nan 0.000 0.488 424 T N 0.915 115.519 114.554 0.084 0.000 2.916 424 T HA 0.550 4.899 4.350 -0.003 0.000 0.298 424 T C -1.222 173.506 174.700 0.048 0.000 1.031 424 T CA -0.603 61.521 62.100 0.039 0.000 0.993 424 T CB 2.379 71.244 68.868 -0.006 0.000 1.045 424 T HN 0.034 nan 8.240 nan 0.000 0.454 425 L N 2.864 124.099 121.223 0.020 0.000 2.354 425 L HA 0.829 5.167 4.340 -0.003 0.000 0.269 425 L C -1.197 175.689 176.870 0.027 0.000 1.005 425 L CA -0.767 54.079 54.840 0.011 0.000 0.819 425 L CB 2.090 44.132 42.059 -0.029 0.000 1.311 425 L HN 0.503 nan 8.230 nan 0.000 0.423 426 V N 5.317 125.268 119.914 0.061 0.000 2.407 426 V HA 0.434 4.552 4.120 -0.003 0.000 0.291 426 V C -0.856 175.288 176.094 0.083 0.000 1.018 426 V CA -0.463 61.910 62.300 0.122 0.000 0.842 426 V CB 1.596 33.558 31.823 0.232 0.000 0.996 426 V HN 0.455 nan 8.190 nan 0.000 0.426 427 L N 5.312 126.522 121.223 -0.022 0.000 2.301 427 L HA 0.440 4.778 4.340 -0.003 0.000 0.278 427 L C 0.628 177.258 176.870 -0.400 0.000 1.022 427 L CA 0.224 54.891 54.840 -0.289 0.000 0.854 427 L CB 1.671 43.496 42.059 -0.389 0.000 1.226 427 L HN 0.750 nan 8.230 nan 0.000 0.429 428 S N 2.476 118.056 115.700 -0.199 0.000 2.505 428 S HA 0.628 5.096 4.470 -0.003 0.000 0.276 428 S C -0.205 174.160 174.600 -0.391 0.000 1.274 428 S CA -0.431 57.703 58.200 -0.110 0.000 1.053 428 S CB 0.189 63.530 63.200 0.234 0.000 0.919 428 S HN 0.218 nan 8.310 nan 0.000 0.490 429 F N 1.577 121.561 119.950 0.057 0.000 2.509 429 F HA 0.418 4.943 4.527 -0.003 0.000 0.334 429 F C 1.734 177.563 175.800 0.049 0.000 1.060 429 F CA -1.308 56.717 58.000 0.042 0.000 0.997 429 F CB 0.701 39.722 39.000 0.034 0.000 1.271 429 F HN 0.377 nan 8.300 nan 0.000 0.488 430 V N 1.300 121.380 119.914 0.277 0.000 2.230 430 V HA -0.349 3.769 4.120 -0.003 0.000 0.256 430 V C 1.979 178.159 176.094 0.143 0.000 1.064 430 V CA 2.636 65.046 62.300 0.184 0.000 1.050 430 V CB -1.399 30.518 31.823 0.156 0.000 0.666 430 V HN 1.040 nan 8.190 nan 0.000 0.457 431 G N -2.163 106.714 108.800 0.128 0.000 2.833 431 G HA2 0.209 4.167 3.960 -0.003 0.000 0.210 431 G HA3 0.209 4.167 3.960 -0.003 0.000 0.210 431 G C 0.701 175.645 174.900 0.073 0.000 1.139 431 G CA -0.077 45.072 45.100 0.081 0.000 0.771 431 G HN 0.508 nan 8.290 nan 0.000 0.535 432 Q N -0.584 119.295 119.800 0.131 0.000 2.852 432 Q HA 0.633 4.971 4.340 -0.003 0.000 0.262 432 Q C -1.249 174.859 176.000 0.180 0.000 1.051 432 Q CA -0.431 55.455 55.803 0.139 0.000 0.894 432 Q CB 2.048 30.870 28.738 0.140 0.000 1.381 432 Q HN 0.061 nan 8.270 nan 0.000 0.501 433 T N 1.067 115.737 114.554 0.193 0.000 3.395 433 T HA 0.384 4.732 4.350 -0.003 0.000 0.330 433 T C -1.167 173.665 174.700 0.221 0.000 1.076 433 T CA -0.618 61.596 62.100 0.191 0.000 1.070 433 T CB 1.149 70.071 68.868 0.090 0.000 1.119 433 T HN 0.317 nan 8.240 nan 0.000 0.462 434 R N 1.879 122.552 120.500 0.289 0.000 2.534 434 R HA 0.750 5.088 4.340 -0.003 0.000 0.301 434 R C -0.596 175.803 176.300 0.165 0.000 0.961 434 R CA -0.767 55.472 56.100 0.231 0.000 0.871 434 R CB 1.930 32.397 30.300 0.277 0.000 1.170 434 R HN 0.400 nan 8.270 nan 0.000 0.446 435 V N 4.219 124.198 119.914 0.107 0.000 2.716 435 V HA 0.503 4.621 4.120 -0.003 0.000 0.304 435 V C 0.099 176.217 176.094 0.040 0.000 1.053 435 V CA -0.822 61.509 62.300 0.052 0.000 0.984 435 V CB 1.510 33.325 31.823 -0.014 0.000 1.021 435 V HN 0.543 nan 8.190 nan 0.000 0.467 436 L N 3.513 124.749 121.223 0.021 0.000 2.381 436 L HA 0.595 4.934 4.340 -0.003 0.000 0.268 436 L C -0.228 176.647 176.870 0.009 0.000 0.997 436 L CA -0.400 54.453 54.840 0.021 0.000 0.818 436 L CB 1.954 44.027 42.059 0.024 0.000 1.310 436 L HN 0.563 nan 8.230 nan 0.000 0.416 437 M N 3.149 122.758 119.600 0.015 0.000 2.573 437 M HA 0.593 5.071 4.480 -0.003 0.000 0.309 437 M C -1.528 174.796 176.300 0.039 0.000 1.202 437 M CA -0.555 54.755 55.300 0.017 0.000 0.975 437 M CB 1.890 34.496 32.600 0.011 0.000 1.600 437 M HN 0.504 nan 8.290 nan 0.000 0.479 438 L N 2.822 124.075 121.223 0.050 0.000 2.457 438 L HA 0.319 4.658 4.340 -0.003 0.000 0.266 438 L C 0.782 177.692 176.870 0.068 0.000 0.979 438 L CA -0.198 54.690 54.840 0.080 0.000 0.857 438 L CB 1.520 43.648 42.059 0.115 0.000 1.213 438 L HN 0.814 nan 8.230 nan 0.000 0.418 439 N N 1.425 120.161 118.700 0.060 0.000 2.171 439 N HA -0.035 4.703 4.740 -0.003 0.000 0.184 439 N C 0.972 176.502 175.510 0.032 0.000 1.021 439 N CA 1.317 54.390 53.050 0.039 0.000 0.854 439 N CB 0.666 39.170 38.487 0.030 0.000 0.994 439 N HN 0.860 nan 8.380 nan 0.000 0.426 440 G N -0.134 108.690 108.800 0.041 0.000 3.791 440 G HA2 0.007 3.966 3.960 -0.003 0.000 0.117 440 G HA3 0.007 3.966 3.960 -0.003 0.000 0.117 440 G C 0.055 174.935 174.900 -0.033 0.000 1.177 440 G CA -0.272 44.825 45.100 -0.005 0.000 1.242 440 G HN 0.153 nan 8.290 nan 0.000 0.502 441 E N 1.201 121.361 120.200 -0.067 0.000 2.476 441 E HA 0.233 4.581 4.350 -0.003 0.000 0.196 441 E C -0.141 176.553 176.600 0.156 0.000 1.029 441 E CA 0.158 56.516 56.400 -0.069 0.000 0.896 441 E CB 1.186 30.787 29.700 -0.165 0.000 1.012 441 E HN 0.351 nan 8.360 nan 0.000 0.475 442 E N 0.839 121.114 120.200 0.125 0.000 2.222 442 E HA 0.400 4.748 4.350 -0.003 0.000 0.272 442 E C -0.559 176.112 176.600 0.118 0.000 0.982 442 E CA -0.808 55.656 56.400 0.108 0.000 0.842 442 E CB 2.623 32.359 29.700 0.060 0.000 1.144 442 E HN -0.220 nan 8.360 nan 0.000 0.397 443 V N 2.158 122.122 119.914 0.084 0.000 2.501 443 V HA 0.217 4.335 4.120 -0.003 0.000 0.277 443 V C -0.114 176.007 176.094 0.046 0.000 1.004 443 V CA -0.693 61.645 62.300 0.063 0.000 0.862 443 V CB 1.555 33.407 31.823 0.049 0.000 1.035 443 V HN 0.516 nan 8.190 nan 0.000 0.448 444 E N 3.412 123.635 120.200 0.039 0.000 2.222 444 E HA 0.514 4.863 4.350 -0.003 0.000 0.267 444 E C -0.527 176.091 176.600 0.030 0.000 0.963 444 E CA -0.599 55.821 56.400 0.032 0.000 0.837 444 E CB 2.003 31.719 29.700 0.026 0.000 1.183 444 E HN 0.819 nan 8.360 nan 0.000 0.403 445 E N 1.772 121.991 120.200 0.030 0.000 3.312 445 E HA 0.202 4.550 4.350 -0.003 0.000 0.215 445 E C -0.393 176.225 176.600 0.030 0.000 1.160 445 E CA -0.489 55.933 56.400 0.036 0.000 1.267 445 E CB 0.453 30.182 29.700 0.050 0.000 1.361 445 E HN 0.379 nan 8.360 nan 0.000 0.433 446 T N -1.128 113.438 114.554 0.019 0.000 2.897 446 T HA 0.375 4.723 4.350 -0.003 0.000 0.278 446 T C 0.222 174.926 174.700 0.007 0.000 0.981 446 T CA -0.920 61.189 62.100 0.014 0.000 0.973 446 T CB 1.772 70.644 68.868 0.006 0.000 1.092 446 T HN 0.373 nan 8.240 nan 0.000 0.543 447 E N 0.301 120.505 120.200 0.007 0.000 2.264 447 E HA 0.550 4.899 4.350 -0.003 0.000 0.260 447 E C -1.281 175.299 176.600 -0.033 0.000 0.961 447 E CA -1.118 55.282 56.400 0.000 0.000 0.834 447 E CB 1.036 30.762 29.700 0.044 0.000 1.230 447 E HN 0.295 nan 8.360 nan 0.000 0.412 448 L N 1.318 122.495 121.223 -0.078 0.000 2.289 448 L HA 0.237 4.575 4.340 -0.003 0.000 0.285 448 L C 0.319 177.201 176.870 0.021 0.000 1.049 448 L CA -0.546 54.229 54.840 -0.108 0.000 0.804 448 L CB 1.211 43.050 42.059 -0.367 0.000 1.195 448 L HN 0.610 nan 8.230 nan 0.000 0.428 449 M N 3.808 123.422 119.600 0.024 0.000 3.070 449 M HA 0.242 4.720 4.480 -0.003 0.000 0.275 449 M C 0.722 177.077 176.300 0.092 0.000 1.510 449 M CA 0.419 55.751 55.300 0.054 0.000 1.608 449 M CB -0.988 31.631 32.600 0.031 0.000 1.266 449 M HN 0.832 nan 8.290 nan 0.000 0.514 450 G N 2.442 111.333 108.800 0.152 0.000 3.732 450 G HA2 -0.086 3.872 3.960 -0.003 0.000 0.220 450 G HA3 -0.086 3.872 3.960 -0.003 0.000 0.220 450 G C -0.564 174.516 174.900 0.300 0.000 0.903 450 G CA -0.590 44.626 45.100 0.194 0.000 0.896 450 G HN 0.439 nan 8.290 nan 0.000 0.685 451 F N 2.003 121.951 119.950 -0.004 0.000 2.458 451 F HA 0.637 5.162 4.527 -0.003 0.000 0.336 451 F C 0.850 176.643 175.800 -0.012 0.000 1.114 451 F CA -1.484 56.509 58.000 -0.012 0.000 0.987 451 F CB 1.924 40.916 39.000 -0.013 0.000 1.130 451 F HN 0.192 nan 8.300 nan 0.000 0.458 452 V N 0.419 120.340 119.914 0.012 0.000 2.881 452 V HA 0.395 4.513 4.120 -0.003 0.000 0.303 452 V C -0.129 175.994 176.094 0.049 0.000 1.070 452 V CA -0.226 62.079 62.300 0.008 0.000 1.074 452 V CB 1.381 33.170 31.823 -0.057 0.000 1.012 452 V HN 0.843 nan 8.190 nan 0.000 0.482 453 D N -0.544 119.885 120.400 0.047 0.000 2.486 453 D HA 0.088 4.727 4.640 -0.003 0.000 0.243 453 D C 0.709 177.038 176.300 0.049 0.000 1.146 453 D CA 0.524 54.565 54.000 0.068 0.000 0.821 453 D CB -0.051 40.796 40.800 0.077 0.000 1.201 453 D HN 0.657 nan 8.370 nan 0.000 0.525 454 D N -0.296 120.118 120.400 0.023 0.000 2.350 454 D HA -0.012 4.626 4.640 -0.003 0.000 0.213 454 D C 0.565 176.866 176.300 0.001 0.000 1.031 454 D CA 0.387 54.397 54.000 0.015 0.000 0.861 454 D CB -0.004 40.801 40.800 0.008 0.000 0.926 454 D HN 0.076 nan 8.370 nan 0.000 0.520 455 Q N 0.127 119.914 119.800 -0.022 0.000 2.240 455 Q HA 0.289 4.628 4.340 -0.003 0.000 0.260 455 Q C -0.551 175.399 176.000 -0.084 0.000 1.018 455 Q CA -0.663 55.103 55.803 -0.061 0.000 0.898 455 Q CB 1.620 30.299 28.738 -0.097 0.000 1.301 455 Q HN 0.224 nan 8.270 nan 0.000 0.469 456 Q N 0.492 120.199 119.800 -0.155 0.000 2.257 456 Q HA 0.284 4.623 4.340 -0.003 0.000 0.255 456 Q C -0.994 174.742 176.000 -0.440 0.000 0.920 456 Q CA -0.117 55.563 55.803 -0.205 0.000 0.927 456 Q CB 1.060 29.711 28.738 -0.145 0.000 1.229 456 Q HN 0.438 nan 8.270 nan 0.000 0.433 457 T N 4.652 119.027 114.554 -0.298 0.000 2.817 457 T HA 0.230 4.579 4.350 -0.003 0.000 0.293 457 T C -0.102 174.410 174.700 -0.312 0.000 0.964 457 T CA -0.217 61.650 62.100 -0.388 0.000 1.085 457 T CB 0.261 68.928 68.868 -0.336 0.000 0.921 457 T HN 0.458 nan 8.240 nan 0.000 0.502 458 F N 1.809 121.654 119.950 -0.174 0.000 2.721 458 F HA 0.498 5.023 4.527 -0.003 0.000 0.301 458 F C 0.095 175.826 175.800 -0.114 0.000 1.096 458 F CA -0.927 57.079 58.000 0.009 0.000 1.308 458 F CB 0.074 39.133 39.000 0.099 0.000 1.086 458 F HN 0.448 nan 8.300 nan 0.000 0.587 459 F N -0.466 119.043 119.950 -0.735 0.000 2.688 459 F HA 0.478 5.003 4.527 -0.003 0.000 0.308 459 F C -1.568 173.533 175.800 -1.164 0.000 1.117 459 F CA -1.746 55.615 58.000 -1.064 0.000 0.976 459 F CB 1.366 40.181 39.000 -0.308 0.000 1.291 459 F HN -0.260 nan 8.300 nan 0.000 0.439 460 C N 4.847 122.946 119.300 -2.001 0.000 3.027 460 C HA 0.875 5.334 4.460 -0.003 0.000 0.350 460 C C -0.254 174.355 174.990 -0.636 0.000 1.042 460 C CA 0.521 59.051 59.018 -0.814 0.000 1.350 460 C CB -0.315 27.201 27.740 -0.372 0.000 1.809 460 C HN 1.246 nan 8.230 nan 0.000 0.513 461 G N 3.945 112.603 108.800 -0.237 0.000 3.251 461 G HA2 0.648 4.607 3.960 -0.003 0.000 0.248 461 G HA3 0.648 4.607 3.960 -0.003 0.000 0.248 461 G C -1.368 173.660 174.900 0.213 0.000 1.320 461 G CA -0.752 44.412 45.100 0.106 0.000 0.982 461 G HN 0.751 nan 8.290 nan 0.000 0.575 462 N N -0.608 118.229 118.700 0.230 0.000 2.342 462 N HA 0.536 5.274 4.740 -0.003 0.000 0.293 462 N C 0.480 176.070 175.510 0.135 0.000 1.026 462 N CA -0.852 52.288 53.050 0.150 0.000 0.857 462 N CB 2.938 41.479 38.487 0.090 0.000 1.256 462 N HN 0.446 nan 8.380 nan 0.000 0.484 463 V N -0.467 119.504 119.914 0.094 0.000 6.942 463 V HA 0.860 4.978 4.120 -0.003 0.000 0.217 463 V C 0.314 176.401 176.094 -0.011 0.000 1.638 463 V CA -0.504 61.830 62.300 0.056 0.000 0.756 463 V CB -0.500 31.361 31.823 0.064 0.000 1.773 463 V HN 0.597 nan 8.190 nan 0.000 0.336 464 A N -1.654 121.139 122.820 -0.046 0.000 2.423 464 A HA 0.771 5.090 4.320 -0.003 0.000 0.304 464 A C -0.578 176.913 177.584 -0.155 0.000 1.104 464 A CA -0.422 51.476 52.037 -0.231 0.000 0.757 464 A CB 0.248 18.985 19.000 -0.438 0.000 1.313 464 A HN 1.483 nan 8.150 nan 0.000 0.423 465 H N -0.001 119.076 119.070 0.012 0.000 2.702 465 H HA -0.128 4.426 4.556 -0.003 0.000 0.328 465 H C -0.094 175.244 175.328 0.017 0.000 1.111 465 H CA 0.789 56.846 56.048 0.016 0.000 1.109 465 H CB -2.245 27.529 29.762 0.020 0.000 1.606 465 H HN 0.845 nan 8.280 nan 0.000 0.399 466 Q N -1.969 117.872 119.800 0.068 0.000 2.451 466 Q HA -0.298 4.040 4.340 -0.003 0.000 0.305 466 Q C -0.269 175.766 176.000 0.059 0.000 1.345 466 Q CA 1.399 57.231 55.803 0.049 0.000 0.854 466 Q CB -0.915 27.853 28.738 0.051 0.000 1.162 466 Q HN 0.839 nan 8.270 nan 0.000 0.440 467 Q N 0.087 119.924 119.800 0.061 0.000 2.423 467 Q HA 0.795 5.134 4.340 -0.003 0.000 0.278 467 Q C -1.101 174.953 176.000 0.090 0.000 1.097 467 Q CA -1.085 54.768 55.803 0.083 0.000 0.809 467 Q CB 1.721 30.521 28.738 0.105 0.000 1.391 467 Q HN 0.342 nan 8.270 nan 0.000 0.428 468 L N 0.343 121.643 121.223 0.129 0.000 2.457 468 L HA 0.628 4.966 4.340 -0.003 0.000 0.266 468 L C -0.786 176.238 176.870 0.256 0.000 0.979 468 L CA -0.620 54.330 54.840 0.184 0.000 0.857 468 L CB 1.069 43.226 42.059 0.164 0.000 1.213 468 L HN 0.559 nan 8.230 nan 0.000 0.418 469 I N 2.333 123.024 120.570 0.202 0.000 2.472 469 I HA 0.329 4.498 4.170 -0.003 0.000 0.290 469 I C -0.390 175.741 176.117 0.022 0.000 1.016 469 I CA 0.085 61.455 61.300 0.117 0.000 1.348 469 I CB 1.448 39.523 38.000 0.125 0.000 1.417 469 I HN 0.882 nan 8.210 nan 0.000 0.521 470 Q N 7.660 127.311 119.800 -0.249 0.000 2.325 470 Q HA 0.454 4.792 4.340 -0.003 0.000 0.270 470 Q C -1.470 174.373 176.000 -0.262 0.000 1.020 470 Q CA -0.697 54.829 55.803 -0.462 0.000 0.785 470 Q CB 1.666 29.715 28.738 -1.148 0.000 1.259 470 Q HN 0.721 nan 8.270 nan 0.000 0.452 471 I N 3.602 124.071 120.570 -0.168 0.000 2.395 471 I HA 0.167 4.335 4.170 -0.003 0.000 0.282 471 I C 0.383 176.413 176.117 -0.145 0.000 1.107 471 I CA -0.271 60.980 61.300 -0.082 0.000 1.210 471 I CB 1.250 39.269 38.000 0.032 0.000 1.456 471 I HN 0.521 nan 8.210 nan 0.000 0.504 472 T N 1.881 116.308 114.554 -0.212 0.000 2.813 472 T HA 0.008 4.356 4.350 -0.003 0.000 0.297 472 T C 1.505 176.070 174.700 -0.226 0.000 1.036 472 T CA 0.174 62.099 62.100 -0.293 0.000 1.044 472 T CB 1.128 69.848 68.868 -0.246 0.000 0.993 472 T HN 0.717 nan 8.240 nan 0.000 0.535 473 S N 1.796 117.266 115.700 -0.382 0.000 2.423 473 S HA -0.041 4.427 4.470 -0.003 0.000 0.231 473 S C 2.174 176.787 174.600 0.021 0.000 1.014 473 S CA 0.923 59.044 58.200 -0.131 0.000 0.965 473 S CB -0.429 62.665 63.200 -0.177 0.000 0.785 473 S HN 0.729 nan 8.310 nan 0.000 0.495 474 A N 1.291 124.089 122.820 -0.037 0.000 1.898 474 A HA 0.416 4.734 4.320 -0.003 0.000 0.214 474 A C 1.272 178.867 177.584 0.018 0.000 1.183 474 A CA 0.838 52.870 52.037 -0.008 0.000 0.622 474 A CB -0.339 18.639 19.000 -0.037 0.000 0.824 474 A HN 1.165 nan 8.150 nan 0.000 0.444 475 S N -1.936 113.775 115.700 0.018 0.000 2.543 475 S HA 0.423 4.892 4.470 -0.003 0.000 0.274 475 S C -0.802 173.835 174.600 0.061 0.000 1.149 475 S CA -0.112 58.131 58.200 0.072 0.000 0.866 475 S CB 1.007 64.216 63.200 0.016 0.000 1.111 475 S HN 1.446 nan 8.310 nan 0.000 0.457 476 V N 1.682 121.684 119.914 0.146 0.000 2.427 476 V HA 0.616 4.734 4.120 -0.003 0.000 0.268 476 V C -0.016 176.095 176.094 0.027 0.000 1.046 476 V CA -0.254 62.079 62.300 0.054 0.000 0.970 476 V CB -0.201 31.637 31.823 0.025 0.000 1.001 476 V HN 0.902 nan 8.190 nan 0.000 0.476 477 R N 4.465 124.927 120.500 -0.063 0.000 2.532 477 R HA 0.779 5.117 4.340 -0.003 0.000 0.272 477 R C -1.024 175.246 176.300 -0.051 0.000 1.032 477 R CA -0.769 55.286 56.100 -0.076 0.000 1.089 477 R CB 1.538 31.736 30.300 -0.170 0.000 1.098 477 R HN 0.733 nan 8.270 nan 0.000 0.526 478 L N 1.515 122.733 121.223 -0.009 0.000 2.439 478 L HA 0.416 4.754 4.340 -0.003 0.000 0.270 478 L C -1.479 175.425 176.870 0.057 0.000 0.972 478 L CA -0.536 54.322 54.840 0.029 0.000 0.836 478 L CB 2.241 44.325 42.059 0.041 0.000 1.255 478 L HN 0.323 nan 8.230 nan 0.000 0.404 479 V N 2.754 122.730 119.914 0.103 0.000 2.555 479 V HA 0.594 4.713 4.120 -0.003 0.000 0.302 479 V C 0.163 176.322 176.094 0.109 0.000 1.038 479 V CA -0.662 61.716 62.300 0.130 0.000 0.887 479 V CB 1.820 33.785 31.823 0.237 0.000 0.991 479 V HN 0.776 nan 8.190 nan 0.000 0.434 480 S N 2.109 117.857 115.700 0.081 0.000 2.554 480 S HA 0.247 4.715 4.470 -0.003 0.000 0.278 480 S C 0.625 175.258 174.600 0.055 0.000 1.242 480 S CA -0.353 57.887 58.200 0.067 0.000 1.051 480 S CB 1.650 64.882 63.200 0.053 0.000 0.986 480 S HN 0.799 nan 8.310 nan 0.000 0.502 481 Q N 1.730 121.556 119.800 0.043 0.000 2.008 481 Q HA -0.021 4.317 4.340 -0.003 0.000 0.196 481 Q C 1.923 177.933 176.000 0.016 0.000 0.973 481 Q CA 1.311 57.127 55.803 0.021 0.000 0.826 481 Q CB -0.302 28.441 28.738 0.008 0.000 0.894 481 Q HN 0.745 nan 8.270 nan 0.000 0.439 482 E N 0.221 120.433 120.200 0.019 0.000 2.012 482 E HA -0.097 4.251 4.350 -0.003 0.000 0.197 482 E C -1.213 175.397 176.600 0.017 0.000 1.007 482 E CA 0.794 57.203 56.400 0.016 0.000 0.816 482 E CB -1.088 28.623 29.700 0.018 0.000 0.762 482 E HN 0.277 nan 8.360 nan 0.000 0.451 483 P HA 0.107 nan 4.420 nan 0.000 0.266 483 P C -0.799 176.518 177.300 0.028 0.000 1.586 483 P CA -0.119 62.995 63.100 0.023 0.000 1.088 483 P CB 0.254 31.968 31.700 0.023 0.000 1.584 484 K N 3.048 123.463 120.400 0.024 0.000 2.146 484 K HA 0.410 4.729 4.320 -0.003 0.000 0.220 484 K C -0.511 176.111 176.600 0.037 0.000 1.227 484 K CA -0.128 56.176 56.287 0.029 0.000 1.185 484 K CB -1.241 31.270 32.500 0.019 0.000 1.333 484 K HN 0.470 nan 8.250 nan 0.000 0.242 485 A N 2.478 125.325 122.820 0.046 0.000 2.604 485 A HA 0.421 4.739 4.320 -0.003 0.000 0.295 485 A C -1.589 176.026 177.584 0.051 0.000 1.067 485 A CA -0.969 51.094 52.037 0.045 0.000 0.683 485 A CB 0.714 19.733 19.000 0.030 0.000 1.281 485 A HN 0.411 nan 8.150 nan 0.000 0.407 486 L N 2.678 123.929 121.223 0.046 0.000 2.699 486 L HA 0.211 4.549 4.340 -0.003 0.000 0.283 486 L C 1.294 178.182 176.870 0.030 0.000 1.166 486 L CA 0.512 55.374 54.840 0.038 0.000 1.043 486 L CB 0.182 42.255 42.059 0.024 0.000 1.369 486 L HN 0.870 nan 8.230 nan 0.000 0.462 487 V N 1.304 121.239 119.914 0.035 0.000 3.444 487 V HA 0.183 4.302 4.120 -0.003 0.000 0.271 487 V C 0.807 176.916 176.094 0.025 0.000 1.188 487 V CA 0.823 63.140 62.300 0.028 0.000 1.168 487 V CB -1.968 29.874 31.823 0.032 0.000 0.810 487 V HN 0.927 nan 8.190 nan 0.000 0.500 488 S N -1.792 113.924 115.700 0.027 0.000 2.707 488 S HA 0.487 4.955 4.470 -0.003 0.000 0.268 488 S C -1.178 173.442 174.600 0.033 0.000 1.004 488 S CA -0.621 57.596 58.200 0.028 0.000 0.902 488 S CB 1.695 64.918 63.200 0.038 0.000 1.157 488 S HN 0.513 nan 8.310 nan 0.000 0.468 489 E N -0.308 119.917 120.200 0.041 0.000 2.343 489 E HA 0.377 4.726 4.350 -0.003 0.000 0.288 489 E C -2.149 174.501 176.600 0.084 0.000 0.907 489 E CA -0.365 56.066 56.400 0.052 0.000 0.792 489 E CB 1.235 30.939 29.700 0.007 0.000 1.275 489 E HN 0.667 nan 8.360 nan 0.000 0.402 490 W N 5.170 126.432 121.300 -0.063 0.000 2.417 490 W HA 0.475 5.133 4.660 -0.003 0.000 0.317 490 W C -0.654 175.810 176.519 -0.092 0.000 1.121 490 W CA -0.230 57.068 57.345 -0.078 0.000 1.208 490 W CB 1.013 30.427 29.460 -0.077 0.000 1.253 490 W HN 0.300 nan 8.180 nan 0.000 0.533 491 K N 2.807 122.810 120.400 -0.662 0.000 2.433 491 K HA 0.171 4.490 4.320 -0.003 0.000 0.252 491 K C -0.853 174.913 176.600 -1.390 0.000 1.015 491 K CA -0.824 55.084 56.287 -0.632 0.000 0.860 491 K CB 1.826 34.117 32.500 -0.349 0.000 1.359 491 K HN 0.347 nan 8.250 nan 0.000 0.452 492 E N 2.260 121.989 120.200 -0.785 0.000 2.290 492 E HA 0.086 4.434 4.350 -0.003 0.000 0.277 492 E C -1.940 174.359 176.600 -0.501 0.000 1.035 492 E CA -1.723 54.268 56.400 -0.682 0.000 0.873 492 E CB 1.213 30.802 29.700 -0.186 0.000 1.029 492 E HN 0.290 nan 8.360 nan 0.000 0.419 493 P HA -0.224 nan 4.420 nan 0.000 0.222 493 P C 0.238 177.430 177.300 -0.180 0.000 1.155 493 P CA 1.772 64.705 63.100 -0.277 0.000 0.890 493 P CB 0.217 31.824 31.700 -0.155 0.000 0.790 494 Q N -2.756 116.969 119.800 -0.126 0.000 2.188 494 Q HA 0.507 4.845 4.340 -0.003 0.000 0.212 494 Q C 0.715 176.671 176.000 -0.072 0.000 0.846 494 Q CA 0.253 56.009 55.803 -0.077 0.000 0.989 494 Q CB 0.301 29.020 28.738 -0.032 0.000 1.114 494 Q HN 0.095 nan 8.270 nan 0.000 0.488 495 A N 0.568 123.322 122.820 -0.110 0.000 2.861 495 A HA -0.272 4.046 4.320 -0.003 0.000 0.261 495 A C 0.075 177.638 177.584 -0.034 0.000 1.351 495 A CA 1.006 52.992 52.037 -0.085 0.000 0.904 495 A CB -1.689 17.269 19.000 -0.070 0.000 1.076 495 A HN 0.346 nan 8.150 nan 0.000 0.729 496 K N 0.476 120.869 120.400 -0.012 0.000 2.319 496 K HA 0.231 4.550 4.320 -0.003 0.000 0.265 496 K C 0.170 176.808 176.600 0.063 0.000 1.000 496 K CA -0.327 55.982 56.287 0.036 0.000 0.943 496 K CB 0.173 32.713 32.500 0.067 0.000 0.950 496 K HN 0.495 nan 8.250 nan 0.000 0.485 497 N N 1.845 120.596 118.700 0.085 0.000 2.529 497 N HA 0.136 4.875 4.740 -0.003 0.000 0.278 497 N C -0.028 175.589 175.510 0.178 0.000 1.146 497 N CA -0.182 52.941 53.050 0.122 0.000 0.980 497 N CB 0.449 39.010 38.487 0.123 0.000 1.124 497 N HN 0.347 nan 8.380 nan 0.000 0.458 498 I N 0.892 121.597 120.570 0.224 0.000 2.648 498 I HA -0.082 4.086 4.170 -0.003 0.000 0.284 498 I C 1.412 177.712 176.117 0.304 0.000 1.153 498 I CA 0.372 61.836 61.300 0.273 0.000 1.426 498 I CB 0.495 38.671 38.000 0.294 0.000 1.381 498 I HN 0.470 nan 8.210 nan 0.000 0.571 499 S N 4.003 119.815 115.700 0.187 0.000 2.527 499 S HA 0.200 4.668 4.470 -0.003 0.000 0.225 499 S C 0.304 174.839 174.600 -0.108 0.000 1.046 499 S CA 0.155 58.397 58.200 0.071 0.000 0.929 499 S CB 0.581 63.817 63.200 0.060 0.000 0.851 499 S HN 0.386 nan 8.310 nan 0.000 0.565 500 V N 1.797 121.692 119.914 -0.031 0.000 2.540 500 V HA 0.763 4.881 4.120 -0.003 0.000 0.302 500 V C 0.093 176.188 176.094 0.002 0.000 1.035 500 V CA -0.944 61.311 62.300 -0.076 0.000 0.873 500 V CB 1.206 33.029 31.823 -0.001 0.000 0.992 500 V HN 0.454 nan 8.190 nan 0.000 0.428 501 A N 3.323 126.150 122.820 0.011 0.000 2.250 501 A HA 0.889 5.207 4.320 -0.003 0.000 0.283 501 A C 0.275 177.868 177.584 0.015 0.000 1.206 501 A CA 0.030 52.116 52.037 0.083 0.000 0.840 501 A CB 1.103 20.234 19.000 0.218 0.000 1.220 501 A HN 1.432 nan 8.150 nan 0.000 0.505 502 S N -2.193 113.460 115.700 -0.079 0.000 2.585 502 S HA 0.313 4.781 4.470 -0.003 0.000 0.335 502 S C -1.483 172.937 174.600 -0.300 0.000 0.747 502 S CA 0.127 58.240 58.200 -0.146 0.000 0.747 502 S CB -0.153 62.996 63.200 -0.084 0.000 1.052 502 S HN 2.029 nan 8.310 nan 0.000 0.522 503 C N 6.475 125.462 119.300 -0.521 0.000 2.928 503 C HA 0.579 5.038 4.460 -0.003 0.000 0.396 503 C C 0.753 175.447 174.990 -0.493 0.000 1.052 503 C CA -0.207 58.414 59.018 -0.663 0.000 1.251 503 C CB -0.111 26.917 27.740 -1.187 0.000 1.684 503 C HN 1.071 nan 8.230 nan 0.000 0.501 504 N N 2.901 121.490 118.700 -0.186 0.000 2.220 504 N HA 0.163 4.902 4.740 -0.003 0.000 0.193 504 N C 1.053 176.594 175.510 0.051 0.000 1.052 504 N CA 1.624 54.655 53.050 -0.031 0.000 0.898 504 N CB -0.093 38.385 38.487 -0.015 0.000 1.080 504 N HN 0.532 nan 8.380 nan 0.000 0.467 505 S N -3.620 112.097 115.700 0.029 0.000 2.364 505 S HA 0.244 4.713 4.470 -0.003 0.000 0.274 505 S C -0.004 174.599 174.600 0.006 0.000 1.016 505 S CA -0.008 58.223 58.200 0.051 0.000 1.332 505 S CB -0.307 62.925 63.200 0.054 0.000 1.056 505 S HN 0.335 nan 8.310 nan 0.000 0.525 506 S N 0.875 116.567 115.700 -0.014 0.000 2.817 506 S HA 0.448 4.917 4.470 -0.003 0.000 0.262 506 S C -0.316 174.273 174.600 -0.020 0.000 1.051 506 S CA -0.463 57.710 58.200 -0.044 0.000 1.185 506 S CB 0.972 64.137 63.200 -0.059 0.000 1.152 506 S HN 0.406 nan 8.310 nan 0.000 0.653 507 Q N 0.809 120.613 119.800 0.006 0.000 2.379 507 Q HA 0.664 5.002 4.340 -0.003 0.000 0.278 507 Q C -1.627 174.384 176.000 0.018 0.000 1.068 507 Q CA -0.616 55.233 55.803 0.077 0.000 0.816 507 Q CB 2.898 31.694 28.738 0.096 0.000 1.387 507 Q HN 0.058 nan 8.270 nan 0.000 0.413 508 V N 1.400 121.365 119.914 0.086 0.000 2.709 508 V HA 0.529 4.648 4.120 -0.003 0.000 0.308 508 V C -0.965 175.190 176.094 0.101 0.000 1.062 508 V CA -0.663 61.635 62.300 -0.004 0.000 0.901 508 V CB 2.299 34.073 31.823 -0.081 0.000 1.003 508 V HN 0.574 nan 8.190 nan 0.000 0.425 509 V N 5.076 124.996 119.914 0.011 0.000 2.516 509 V HA 0.363 4.481 4.120 -0.003 0.000 0.271 509 V C -0.098 176.009 176.094 0.022 0.000 0.992 509 V CA -0.572 61.761 62.300 0.055 0.000 0.857 509 V CB 1.420 33.222 31.823 -0.036 0.000 1.047 509 V HN 0.734 nan 8.190 nan 0.000 0.455 510 V N 1.450 121.390 119.914 0.042 0.000 3.369 510 V HA 1.039 5.158 4.120 -0.003 0.000 0.309 510 V C 0.325 176.507 176.094 0.146 0.000 1.069 510 V CA -0.273 62.069 62.300 0.070 0.000 1.042 510 V CB 1.790 33.640 31.823 0.045 0.000 1.192 510 V HN 1.140 nan 8.190 nan 0.000 0.447 511 A N 0.674 123.589 122.820 0.158 0.000 2.455 511 A HA 0.775 5.093 4.320 -0.003 0.000 0.300 511 A C -1.085 176.625 177.584 0.209 0.000 1.040 511 A CA -0.538 51.607 52.037 0.181 0.000 0.697 511 A CB 1.956 21.017 19.000 0.102 0.000 1.265 511 A HN 1.231 nan 8.150 nan 0.000 0.407 512 V N 3.168 123.240 119.914 0.262 0.000 2.350 512 V HA 0.540 4.658 4.120 -0.003 0.000 0.285 512 V C 1.426 177.604 176.094 0.140 0.000 1.014 512 V CA 0.713 63.151 62.300 0.230 0.000 0.831 512 V CB 0.380 32.406 31.823 0.339 0.000 1.000 512 V HN 1.899 nan 8.190 nan 0.000 0.433 513 G N 5.609 114.444 108.800 0.060 0.000 2.812 513 G HA2 -0.417 3.542 3.960 -0.003 0.000 0.366 513 G HA3 -0.417 3.542 3.960 -0.003 0.000 0.366 513 G C 1.252 176.138 174.900 -0.023 0.000 1.183 513 G CA 1.776 46.859 45.100 -0.028 0.000 1.076 513 G HN 0.612 nan 8.290 nan 0.000 0.750 514 R N 0.871 121.362 120.500 -0.015 0.000 2.254 514 R HA 0.540 4.878 4.340 -0.003 0.000 0.193 514 R C 1.503 177.793 176.300 -0.015 0.000 0.929 514 R CA 0.579 56.666 56.100 -0.022 0.000 1.038 514 R CB 0.172 30.449 30.300 -0.038 0.000 1.009 514 R HN 0.613 nan 8.270 nan 0.000 0.512 515 A N 1.135 123.967 122.820 0.021 0.000 2.340 515 A HA 0.499 4.817 4.320 -0.003 0.000 0.268 515 A C -0.646 176.938 177.584 -0.001 0.000 1.100 515 A CA -0.124 51.905 52.037 -0.013 0.000 0.803 515 A CB 0.426 19.522 19.000 0.160 0.000 1.043 515 A HN 0.171 nan 8.150 nan 0.000 0.488 516 L N 1.222 122.340 121.223 -0.176 0.000 2.401 516 L HA 0.538 4.876 4.340 -0.003 0.000 0.266 516 L C -1.600 175.229 176.870 -0.069 0.000 0.991 516 L CA -0.449 54.424 54.840 0.055 0.000 0.818 516 L CB 2.080 44.309 42.059 0.283 0.000 1.321 516 L HN 0.730 nan 8.230 nan 0.000 0.413 517 Y N 1.310 121.772 120.300 0.270 0.000 2.346 517 Y HA 0.293 4.841 4.550 -0.003 0.000 0.332 517 Y C -0.812 175.179 175.900 0.152 0.000 0.985 517 Y CA -0.654 57.547 58.100 0.169 0.000 1.112 517 Y CB 1.507 40.001 38.460 0.057 0.000 1.170 517 Y HN 0.386 nan 8.280 nan 0.000 0.447 518 Y N 5.476 125.880 120.300 0.172 0.000 2.425 518 Y HA 0.641 5.189 4.550 -0.003 0.000 0.347 518 Y C -0.932 174.979 175.900 0.018 0.000 0.976 518 Y CA -0.671 57.530 58.100 0.169 0.000 1.190 518 Y CB 0.356 39.025 38.460 0.348 0.000 1.136 518 Y HN 0.548 nan 8.280 nan 0.000 0.517 519 L N 4.716 125.814 121.223 -0.208 0.000 2.492 519 L HA 0.605 4.943 4.340 -0.003 0.000 0.263 519 L C -0.727 175.917 176.870 -0.377 0.000 1.062 519 L CA -1.260 53.367 54.840 -0.356 0.000 0.817 519 L CB 1.432 43.254 42.059 -0.395 0.000 1.441 519 L HN 0.540 nan 8.230 nan 0.000 0.493 520 Q N 0.089 119.753 119.800 -0.226 0.000 2.340 520 Q HA 0.426 4.764 4.340 -0.003 0.000 0.276 520 Q C -1.082 174.896 176.000 -0.036 0.000 1.048 520 Q CA -0.535 55.200 55.803 -0.114 0.000 0.832 520 Q CB 2.487 31.194 28.738 -0.052 0.000 1.373 520 Q HN 0.495 nan 8.270 nan 0.000 0.409 521 I N 2.858 123.400 120.570 -0.047 0.000 3.257 521 I HA 0.186 4.354 4.170 -0.003 0.000 0.325 521 I C -0.111 176.004 176.117 -0.003 0.000 1.287 521 I CA -0.184 61.111 61.300 -0.008 0.000 1.263 521 I CB -1.013 36.991 38.000 0.007 0.000 1.550 521 I HN 0.452 nan 8.210 nan 0.000 0.505 522 H N 3.385 122.490 119.070 0.059 0.000 2.652 522 H HA 0.209 4.763 4.556 -0.003 0.000 0.349 522 H C -1.968 173.346 175.328 -0.023 0.000 1.099 522 H CA -1.423 54.664 56.048 0.066 0.000 1.417 522 H CB 0.945 30.722 29.762 0.026 0.000 1.457 522 H HN 0.017 nan 8.280 nan 0.000 0.568 523 P HA -0.159 nan 4.420 nan 0.000 0.255 523 P C -0.054 177.165 177.300 -0.135 0.000 1.132 523 P CA 1.028 63.883 63.100 -0.408 0.000 0.766 523 P CB 0.060 31.456 31.700 -0.506 0.000 0.715 524 Q N -0.414 119.347 119.800 -0.064 0.000 2.452 524 Q HA -0.262 4.077 4.340 -0.003 0.000 0.248 524 Q C -0.015 175.991 176.000 0.009 0.000 0.874 524 Q CA 1.582 57.377 55.803 -0.012 0.000 1.208 524 Q CB -1.739 26.980 28.738 -0.032 0.000 1.569 524 Q HN 0.742 nan 8.270 nan 0.000 0.579 525 E N -0.632 119.582 120.200 0.022 0.000 2.372 525 E HA 0.580 4.929 4.350 -0.003 0.000 0.279 525 E C -1.111 175.516 176.600 0.045 0.000 0.946 525 E CA -1.075 55.345 56.400 0.034 0.000 0.769 525 E CB 1.247 30.963 29.700 0.026 0.000 1.230 525 E HN 0.092 nan 8.360 nan 0.000 0.442 526 L N 2.300 123.556 121.223 0.054 0.000 2.282 526 L HA 0.429 4.768 4.340 -0.003 0.000 0.287 526 L C 0.244 177.149 176.870 0.058 0.000 1.075 526 L CA -0.360 54.508 54.840 0.047 0.000 0.839 526 L CB 0.348 42.452 42.059 0.075 0.000 1.219 526 L HN 0.405 nan 8.230 nan 0.000 0.434 527 R N 3.341 123.849 120.500 0.014 0.000 2.215 527 R HA 0.219 4.557 4.340 -0.003 0.000 0.336 527 R C -0.185 176.080 176.300 -0.058 0.000 0.996 527 R CA -0.540 55.566 56.100 0.009 0.000 0.847 527 R CB 0.980 31.287 30.300 0.013 0.000 1.127 527 R HN 0.553 nan 8.270 nan 0.000 0.465 528 Q N 3.710 123.511 119.800 0.002 0.000 2.395 528 Q HA 0.016 4.355 4.340 -0.003 0.000 0.271 528 Q C 0.221 176.176 176.000 -0.075 0.000 1.026 528 Q CA 0.320 56.109 55.803 -0.023 0.000 0.900 528 Q CB 0.741 29.585 28.738 0.176 0.000 1.266 528 Q HN 0.648 nan 8.270 nan 0.000 0.430 529 I N 0.343 120.829 120.570 -0.139 0.000 4.738 529 I HA 0.166 4.334 4.170 -0.003 0.000 0.315 529 I C -0.042 176.041 176.117 -0.057 0.000 1.214 529 I CA 0.346 61.556 61.300 -0.149 0.000 1.337 529 I CB 0.504 38.270 38.000 -0.390 0.000 1.433 529 I HN 0.460 nan 8.210 nan 0.000 0.472 530 S N -0.777 114.888 115.700 -0.058 0.000 2.651 530 S HA 0.649 5.118 4.470 -0.003 0.000 0.279 530 S C -1.426 173.050 174.600 -0.207 0.000 1.148 530 S CA -0.366 57.721 58.200 -0.188 0.000 0.837 530 S CB 2.805 65.761 63.200 -0.407 0.000 1.138 530 S HN 0.383 nan 8.310 nan 0.000 0.478 531 H N -0.139 118.639 119.070 -0.487 0.000 3.184 531 H HA 0.491 5.045 4.556 -0.003 0.000 0.317 531 H C -1.395 173.702 175.328 -0.384 0.000 1.065 531 H CA 0.015 55.783 56.048 -0.467 0.000 1.462 531 H CB 0.764 30.340 29.762 -0.310 0.000 2.037 531 H HN 0.541 nan 8.280 nan 0.000 0.431 532 T N 3.358 117.433 114.554 -0.799 0.000 2.907 532 T HA 0.397 4.745 4.350 -0.003 0.000 0.290 532 T C -0.924 173.436 174.700 -0.567 0.000 1.066 532 T CA -0.845 60.963 62.100 -0.486 0.000 1.012 532 T CB 2.102 70.915 68.868 -0.090 0.000 1.184 532 T HN 0.580 nan 8.240 nan 0.000 0.522 533 E N 0.978 120.995 120.200 -0.306 0.000 2.248 533 E HA 0.471 4.819 4.350 -0.003 0.000 0.267 533 E C -0.842 175.698 176.600 -0.100 0.000 0.877 533 E CA -0.789 55.493 56.400 -0.196 0.000 0.759 533 E CB 0.977 30.600 29.700 -0.128 0.000 1.182 533 E HN 0.296 nan 8.360 nan 0.000 0.418 534 M N 2.325 121.883 119.600 -0.070 0.000 2.288 534 M HA 0.130 4.608 4.480 -0.003 0.000 0.334 534 M C 1.118 177.365 176.300 -0.089 0.000 1.150 534 M CA 0.296 55.567 55.300 -0.048 0.000 1.118 534 M CB 1.133 33.728 32.600 -0.007 0.000 1.501 534 M HN 0.709 nan 8.290 nan 0.000 0.462 535 E N 0.973 121.106 120.200 -0.113 0.000 2.204 535 E HA -0.148 4.200 4.350 -0.003 0.000 0.195 535 E C -0.206 176.022 176.600 -0.619 0.000 0.990 535 E CA 1.124 57.346 56.400 -0.297 0.000 0.821 535 E CB 0.411 29.971 29.700 -0.234 0.000 0.750 535 E HN 0.488 nan 8.360 nan 0.000 0.477 536 H N -1.203 117.872 119.070 0.008 0.000 2.943 536 H HA 0.250 4.804 4.556 -0.003 0.000 0.323 536 H C -0.657 174.670 175.328 -0.002 0.000 1.296 536 H CA -0.805 55.255 56.048 0.020 0.000 1.155 536 H CB 0.634 30.442 29.762 0.077 0.000 1.882 536 H HN -0.026 nan 8.280 nan 0.000 0.553 537 E N 1.220 121.473 120.200 0.088 0.000 2.392 537 E HA 0.150 4.499 4.350 -0.003 0.000 0.264 537 E C -0.601 176.048 176.600 0.083 0.000 1.024 537 E CA -0.267 56.048 56.400 -0.142 0.000 0.903 537 E CB 0.976 30.255 29.700 -0.701 0.000 0.963 537 E HN 0.141 nan 8.360 nan 0.000 0.432 538 V N 3.715 123.674 119.914 0.075 0.000 2.461 538 V HA 0.118 4.236 4.120 -0.003 0.000 0.275 538 V C 0.892 177.203 176.094 0.362 0.000 1.047 538 V CA 0.335 62.752 62.300 0.196 0.000 0.955 538 V CB 1.044 32.924 31.823 0.094 0.000 0.988 538 V HN 0.861 nan 8.190 nan 0.000 0.471 539 A N 4.122 127.183 122.820 0.402 0.000 1.924 539 A HA 0.245 4.563 4.320 -0.003 0.000 0.211 539 A C 0.958 178.632 177.584 0.149 0.000 1.198 539 A CA 1.067 53.292 52.037 0.313 0.000 0.657 539 A CB 0.053 19.084 19.000 0.053 0.000 0.852 539 A HN 0.997 nan 8.150 nan 0.000 0.454 540 C N -2.720 116.640 119.300 0.098 0.000 3.239 540 C HA 0.836 5.294 4.460 -0.003 0.000 0.317 540 C C -1.053 173.958 174.990 0.036 0.000 1.310 540 C CA -1.297 57.757 59.018 0.060 0.000 1.371 540 C CB 0.551 28.322 27.740 0.052 0.000 1.714 540 C HN 0.368 nan 8.230 nan 0.000 0.473 541 L N 1.045 122.282 121.223 0.024 0.000 2.466 541 L HA 0.750 5.089 4.340 -0.003 0.000 0.258 541 L C -1.519 175.350 176.870 -0.003 0.000 0.973 541 L CA -0.047 54.788 54.840 -0.010 0.000 0.826 541 L CB 2.245 44.286 42.059 -0.029 0.000 1.372 541 L HN 0.943 nan 8.230 nan 0.000 0.409 542 D N 2.058 122.442 120.400 -0.027 0.000 2.947 542 D HA 0.662 5.300 4.640 -0.003 0.000 0.224 542 D C -1.607 174.659 176.300 -0.056 0.000 1.230 542 D CA -0.283 53.706 54.000 -0.018 0.000 0.871 542 D CB 2.120 42.931 40.800 0.017 0.000 1.671 542 D HN 0.372 nan 8.370 nan 0.000 0.507 543 I N 0.570 121.102 120.570 -0.062 0.000 2.500 543 I HA 0.664 4.833 4.170 -0.003 0.000 0.286 543 I C -1.083 175.003 176.117 -0.053 0.000 1.063 543 I CA -0.566 60.686 61.300 -0.080 0.000 1.062 543 I CB 2.039 39.965 38.000 -0.123 0.000 1.223 543 I HN 0.268 nan 8.210 nan 0.000 0.435 544 T N 3.451 117.979 114.554 -0.043 0.000 3.031 544 T HA 0.586 4.934 4.350 -0.003 0.000 0.305 544 T C -2.922 171.754 174.700 -0.040 0.000 0.985 544 T CA -1.541 60.546 62.100 -0.023 0.000 1.008 544 T CB 1.711 70.582 68.868 0.005 0.000 1.005 544 T HN 0.466 nan 8.240 nan 0.000 0.444 545 P HA 0.133 nan 4.420 nan 0.000 0.265 545 P C -0.613 176.651 177.300 -0.059 0.000 1.187 545 P CA -0.249 62.822 63.100 -0.048 0.000 0.766 545 P CB 0.684 32.368 31.700 -0.026 0.000 0.820 546 L N 2.655 123.819 121.223 -0.099 0.000 2.506 546 L HA 0.412 4.750 4.340 -0.003 0.000 0.247 546 L C 1.412 178.192 176.870 -0.150 0.000 1.141 546 L CA -0.107 54.643 54.840 -0.150 0.000 0.973 546 L CB 0.342 42.241 42.059 -0.268 0.000 1.319 546 L HN 0.762 nan 8.230 nan 0.000 0.455 547 G N 0.641 109.406 108.800 -0.058 0.000 4.794 547 G HA2 -0.302 3.656 3.960 -0.003 0.000 0.275 547 G HA3 -0.302 3.656 3.960 -0.003 0.000 0.275 547 G C 0.649 175.542 174.900 -0.011 0.000 1.648 547 G CA 0.166 45.256 45.100 -0.016 0.000 1.154 547 G HN 0.455 nan 8.290 nan 0.000 0.680 548 D N 2.272 122.659 120.400 -0.022 0.000 2.411 548 D HA 0.115 4.754 4.640 -0.003 0.000 0.226 548 D C 1.311 177.609 176.300 -0.004 0.000 0.988 548 D CA 1.729 55.724 54.000 -0.008 0.000 0.938 548 D CB -0.110 40.683 40.800 -0.013 0.000 0.883 548 D HN 0.885 nan 8.370 nan 0.000 0.525 549 S N -0.069 115.625 115.700 -0.010 0.000 2.546 549 S HA 0.432 4.900 4.470 -0.003 0.000 0.274 549 S C -0.827 173.773 174.600 0.000 0.000 1.121 549 S CA -1.121 57.079 58.200 -0.001 0.000 0.887 549 S CB 1.962 65.160 63.200 -0.003 0.000 1.094 549 S HN -0.137 nan 8.310 nan 0.000 0.474 550 N N 1.236 119.941 118.700 0.008 0.000 2.706 550 N HA 0.514 5.253 4.740 -0.003 0.000 0.240 550 N C 0.905 176.420 175.510 0.007 0.000 1.039 550 N CA 0.149 53.205 53.050 0.010 0.000 0.888 550 N CB 0.861 39.357 38.487 0.015 0.000 1.128 550 N HN 1.273 nan 8.380 nan 0.000 0.512 551 G N 0.752 109.556 108.800 0.005 0.000 2.284 551 G HA2 -0.251 3.707 3.960 -0.003 0.000 0.216 551 G HA3 -0.251 3.707 3.960 -0.003 0.000 0.216 551 G C -0.192 174.709 174.900 0.002 0.000 1.009 551 G CA -0.456 44.646 45.100 0.002 0.000 0.625 551 G HN 0.447 nan 8.290 nan 0.000 0.501 552 L N 2.895 124.123 121.223 0.008 0.000 2.287 552 L HA 0.748 5.086 4.340 -0.003 0.000 0.280 552 L C 0.706 177.575 176.870 -0.002 0.000 1.055 552 L CA -0.094 54.760 54.840 0.023 0.000 0.863 552 L CB 1.287 43.375 42.059 0.049 0.000 1.245 552 L HN 0.198 nan 8.230 nan 0.000 0.432 553 S N 5.590 121.275 115.700 -0.027 0.000 2.455 553 S HA 0.313 4.782 4.470 -0.003 0.000 0.278 553 S C -1.564 172.981 174.600 -0.091 0.000 1.216 553 S CA -1.055 57.106 58.200 -0.066 0.000 1.055 553 S CB 0.757 63.904 63.200 -0.087 0.000 0.939 553 S HN 0.494 nan 8.310 nan 0.000 0.494 554 P HA 0.188 nan 4.420 nan 0.000 0.231 554 P C -0.330 176.907 177.300 -0.106 0.000 1.168 554 P CA 0.555 63.608 63.100 -0.077 0.000 0.779 554 P CB 0.219 31.885 31.700 -0.057 0.000 0.844 555 L N -2.083 119.065 121.223 -0.125 0.000 2.283 555 L HA 0.561 4.899 4.340 -0.003 0.000 0.259 555 L C -0.757 176.009 176.870 -0.174 0.000 1.027 555 L CA -1.103 53.655 54.840 -0.136 0.000 0.828 555 L CB 2.316 44.311 42.059 -0.106 0.000 1.380 555 L HN -0.260 nan 8.230 nan 0.000 0.425 556 C N 1.256 120.445 119.300 -0.186 0.000 2.481 556 C HA 0.777 5.236 4.460 -0.003 0.000 0.324 556 C C 0.081 174.977 174.990 -0.156 0.000 1.170 556 C CA -0.536 58.353 59.018 -0.215 0.000 1.361 556 C CB 1.060 28.588 27.740 -0.354 0.000 1.977 556 C HN 0.822 nan 8.230 nan 0.000 0.459 557 A N 5.123 127.874 122.820 -0.115 0.000 2.301 557 A HA 0.844 5.162 4.320 -0.003 0.000 0.312 557 A C -0.773 176.769 177.584 -0.070 0.000 1.182 557 A CA -0.301 51.694 52.037 -0.070 0.000 0.826 557 A CB 0.547 19.531 19.000 -0.027 0.000 1.134 557 A HN 0.988 nan 8.150 nan 0.000 0.501 558 I N 1.474 122.010 120.570 -0.057 0.000 2.692 558 I HA 0.650 4.818 4.170 -0.003 0.000 0.293 558 I C -0.016 176.095 176.117 -0.011 0.000 1.200 558 I CA -0.404 60.871 61.300 -0.041 0.000 1.036 558 I CB 2.145 40.102 38.000 -0.072 0.000 1.258 558 I HN 0.724 nan 8.210 nan 0.000 0.421 559 G N 7.608 116.421 108.800 0.020 0.000 2.417 559 G HA2 0.603 4.561 3.960 -0.003 0.000 0.320 559 G HA3 0.603 4.561 3.960 -0.003 0.000 0.320 559 G C -0.991 173.959 174.900 0.084 0.000 1.204 559 G CA -0.487 44.635 45.100 0.036 0.000 0.923 559 G HN 0.506 nan 8.290 nan 0.000 0.466 560 L N 0.703 121.973 121.223 0.078 0.000 2.397 560 L HA 0.501 4.840 4.340 -0.003 0.000 0.266 560 L C 0.527 177.500 176.870 0.173 0.000 1.040 560 L CA -0.858 54.080 54.840 0.163 0.000 0.800 560 L CB 1.888 44.028 42.059 0.135 0.000 1.324 560 L HN 0.706 nan 8.230 nan 0.000 0.469 561 W N -1.058 120.230 121.300 -0.019 0.000 2.871 561 W HA 0.097 4.755 4.660 -0.003 0.000 0.267 561 W C 1.816 178.283 176.519 -0.087 0.000 1.180 561 W CA 0.184 57.514 57.345 -0.025 0.000 1.463 561 W CB 0.586 30.061 29.460 0.024 0.000 0.966 561 W HN 0.424 nan 8.180 nan 0.000 0.605 562 T N -1.144 113.408 114.554 -0.004 0.000 3.056 562 T HA -0.076 4.272 4.350 -0.003 0.000 0.243 562 T C 1.004 175.561 174.700 -0.238 0.000 0.995 562 T CA 1.027 63.045 62.100 -0.137 0.000 1.091 562 T CB -0.151 68.608 68.868 -0.182 0.000 0.990 562 T HN 0.009 nan 8.240 nan 0.000 0.464 563 D N 1.767 121.930 120.400 -0.394 0.000 2.328 563 D HA 0.052 4.690 4.640 -0.003 0.000 0.226 563 D C 0.323 176.544 176.300 -0.132 0.000 1.066 563 D CA -0.235 53.626 54.000 -0.231 0.000 0.861 563 D CB -0.981 39.692 40.800 -0.212 0.000 0.912 563 D HN 0.298 nan 8.370 nan 0.000 0.521 564 I N 0.893 121.395 120.570 -0.112 0.000 5.026 564 I HA -0.282 3.887 4.170 -0.003 0.000 0.126 564 I C -0.230 175.836 176.117 -0.085 0.000 1.267 564 I CA 0.926 62.175 61.300 -0.085 0.000 2.647 564 I CB -1.861 36.094 38.000 -0.075 0.000 2.149 564 I HN 0.338 nan 8.210 nan 0.000 0.322 565 S N 1.417 117.074 115.700 -0.072 0.000 2.549 565 S HA 0.964 5.433 4.470 -0.003 0.000 0.280 565 S C -0.439 174.120 174.600 -0.068 0.000 1.109 565 S CA -0.333 57.814 58.200 -0.088 0.000 0.905 565 S CB 2.446 65.590 63.200 -0.095 0.000 1.081 565 S HN 0.912 nan 8.310 nan 0.000 0.477 566 A N 2.342 125.104 122.820 -0.096 0.000 2.340 566 A HA 0.973 5.291 4.320 -0.003 0.000 0.331 566 A C -0.152 177.348 177.584 -0.140 0.000 1.140 566 A CA -1.030 50.960 52.037 -0.078 0.000 0.801 566 A CB 1.012 19.994 19.000 -0.029 0.000 1.234 566 A HN 0.976 nan 8.150 nan 0.000 0.469 567 R N 1.179 121.613 120.500 -0.110 0.000 2.764 567 R HA 0.609 4.947 4.340 -0.003 0.000 0.270 567 R C -1.661 174.579 176.300 -0.101 0.000 1.014 567 R CA -0.755 55.265 56.100 -0.135 0.000 0.904 567 R CB 0.833 31.056 30.300 -0.129 0.000 1.236 567 R HN 0.468 nan 8.270 nan 0.000 0.466 568 I N 2.622 123.137 120.570 -0.092 0.000 2.378 568 I HA 0.456 4.624 4.170 -0.003 0.000 0.291 568 I C 0.219 176.283 176.117 -0.088 0.000 0.992 568 I CA -0.799 60.455 61.300 -0.077 0.000 1.154 568 I CB 0.929 38.903 38.000 -0.043 0.000 1.315 568 I HN 0.462 nan 8.210 nan 0.000 0.448 569 L N 4.649 125.796 121.223 -0.126 0.000 2.286 569 L HA 0.589 4.927 4.340 -0.003 0.000 0.265 569 L C 0.190 176.979 176.870 -0.136 0.000 1.012 569 L CA -1.010 53.745 54.840 -0.142 0.000 0.818 569 L CB 2.058 43.976 42.059 -0.235 0.000 1.337 569 L HN 0.490 nan 8.230 nan 0.000 0.438 570 K N 1.108 121.450 120.400 -0.096 0.000 2.464 570 K HA 0.332 4.650 4.320 -0.003 0.000 0.252 570 K C 0.628 177.208 176.600 -0.034 0.000 1.000 570 K CA -0.349 55.899 56.287 -0.065 0.000 0.951 570 K CB 1.187 33.675 32.500 -0.019 0.000 1.183 570 K HN 0.606 nan 8.250 nan 0.000 0.445 571 L N 4.527 125.671 121.223 -0.132 0.000 2.081 571 L HA -0.166 4.173 4.340 -0.003 0.000 0.212 571 L C -0.966 175.941 176.870 0.062 0.000 1.080 571 L CA 1.459 56.196 54.840 -0.172 0.000 0.754 571 L CB -0.782 40.980 42.059 -0.496 0.000 0.893 571 L HN 0.543 nan 8.230 nan 0.000 0.433 572 P HA -0.194 nan 4.420 nan 0.000 0.217 572 P C 1.500 178.911 177.300 0.185 0.000 1.151 572 P CA 2.061 65.263 63.100 0.170 0.000 0.849 572 P CB 0.072 31.835 31.700 0.106 0.000 0.787 573 S N -3.668 112.145 115.700 0.188 0.000 2.731 573 S HA 0.159 4.627 4.470 -0.003 0.000 0.244 573 S C 1.046 175.809 174.600 0.272 0.000 1.084 573 S CA 0.015 58.303 58.200 0.146 0.000 0.877 573 S CB -0.692 62.560 63.200 0.086 0.000 0.798 573 S HN 0.136 nan 8.310 nan 0.000 0.496 574 F N 1.571 121.491 119.950 -0.051 0.000 2.411 574 F HA -0.186 4.339 4.527 -0.003 0.000 0.393 574 F C 0.235 175.998 175.800 -0.062 0.000 0.576 574 F CA 0.309 58.267 58.000 -0.070 0.000 1.609 574 F CB -1.729 37.223 39.000 -0.081 0.000 2.186 574 F HN 0.506 nan 8.300 nan 0.000 0.274 575 E N 3.637 123.906 120.200 0.116 0.000 2.452 575 E HA 0.147 4.496 4.350 -0.003 0.000 0.261 575 E C 0.165 176.773 176.600 0.013 0.000 0.987 575 E CA -0.399 56.031 56.400 0.049 0.000 0.926 575 E CB 1.163 30.883 29.700 0.033 0.000 0.934 575 E HN 0.319 nan 8.360 nan 0.000 0.452 576 L N 5.643 126.867 121.223 0.001 0.000 2.385 576 L HA 0.065 4.403 4.340 -0.003 0.000 0.281 576 L C -0.265 176.597 176.870 -0.013 0.000 1.106 576 L CA 0.114 54.943 54.840 -0.018 0.000 0.856 576 L CB 0.112 42.158 42.059 -0.023 0.000 1.186 576 L HN 0.829 nan 8.230 nan 0.000 0.453 577 L N 5.152 126.366 121.223 -0.015 0.000 2.157 577 L HA 0.134 4.472 4.340 -0.003 0.000 0.201 577 L C 0.352 177.252 176.870 0.050 0.000 1.221 577 L CA 0.629 55.474 54.840 0.009 0.000 0.915 577 L CB -0.594 41.467 42.059 0.003 0.000 1.013 577 L HN 0.639 nan 8.230 nan 0.000 0.522 578 H N 0.472 119.499 119.070 -0.071 0.000 2.481 578 H HA 0.478 5.032 4.556 -0.003 0.000 0.333 578 H C -0.991 174.277 175.328 -0.102 0.000 1.066 578 H CA -1.147 54.849 56.048 -0.087 0.000 1.209 578 H CB 0.809 30.508 29.762 -0.104 0.000 1.445 578 H HN 0.203 nan 8.280 nan 0.000 0.488 579 K N 2.596 122.584 120.400 -0.687 0.000 2.318 579 K HA 0.556 4.874 4.320 -0.003 0.000 0.249 579 K C -1.024 175.132 176.600 -0.740 0.000 0.942 579 K CA -1.171 54.789 56.287 -0.546 0.000 0.808 579 K CB 2.340 34.682 32.500 -0.263 0.000 1.189 579 K HN 0.357 nan 8.250 nan 0.000 0.428 580 E N 3.301 123.214 120.200 -0.478 0.000 2.255 580 E HA 0.253 4.601 4.350 -0.003 0.000 0.256 580 E C -1.453 175.014 176.600 -0.222 0.000 0.887 580 E CA -0.563 55.620 56.400 -0.361 0.000 0.782 580 E CB 1.228 30.682 29.700 -0.409 0.000 1.214 580 E HN 0.650 nan 8.360 nan 0.000 0.417 581 M N 4.654 124.155 119.600 -0.166 0.000 2.227 581 M HA 0.270 4.748 4.480 -0.003 0.000 0.349 581 M C -0.550 175.663 176.300 -0.145 0.000 1.443 581 M CA 0.297 55.519 55.300 -0.129 0.000 1.110 581 M CB 0.331 32.876 32.600 -0.092 0.000 1.773 581 M HN 0.487 nan 8.290 nan 0.000 0.463 582 L N 1.505 122.623 121.223 -0.176 0.000 2.472 582 L HA 0.787 5.125 4.340 -0.003 0.000 0.256 582 L C 1.047 177.833 176.870 -0.140 0.000 1.111 582 L CA -1.005 53.681 54.840 -0.258 0.000 0.800 582 L CB 0.247 42.049 42.059 -0.428 0.000 1.286 582 L HN 0.715 nan 8.230 nan 0.000 0.479 583 G N -1.531 107.206 108.800 -0.103 0.000 2.543 583 G HA2 0.528 4.487 3.960 -0.003 0.000 0.290 583 G HA3 0.528 4.487 3.960 -0.003 0.000 0.290 583 G C 0.022 174.930 174.900 0.012 0.000 1.310 583 G CA -0.023 45.067 45.100 -0.017 0.000 1.025 583 G HN 1.030 nan 8.290 nan 0.000 0.502 584 G N -0.739 108.074 108.800 0.022 0.000 2.804 584 G HA2 -0.043 3.915 3.960 -0.003 0.000 0.230 584 G HA3 -0.043 3.915 3.960 -0.003 0.000 0.230 584 G C 0.538 175.435 174.900 -0.005 0.000 1.386 584 G CA 0.560 45.673 45.100 0.021 0.000 0.875 584 G HN 1.250 nan 8.290 nan 0.000 0.557 585 E N -0.947 119.246 120.200 -0.011 0.000 2.601 585 E HA 0.158 4.507 4.350 -0.003 0.000 0.219 585 E C 0.834 177.398 176.600 -0.060 0.000 0.964 585 E CA -0.313 56.068 56.400 -0.032 0.000 1.050 585 E CB 0.369 30.059 29.700 -0.018 0.000 1.068 585 E HN 0.552 nan 8.360 nan 0.000 0.496 586 I N 4.376 124.915 120.570 -0.050 0.000 2.533 586 I HA 0.053 4.221 4.170 -0.003 0.000 0.284 586 I C 1.164 177.211 176.117 -0.116 0.000 1.109 586 I CA -0.525 60.727 61.300 -0.080 0.000 1.412 586 I CB 0.232 38.208 38.000 -0.040 0.000 1.396 586 I HN 0.041 nan 8.210 nan 0.000 0.543 587 I N 6.251 126.687 120.570 -0.224 0.000 2.754 587 I HA 0.241 4.409 4.170 -0.003 0.000 0.285 587 I C -2.398 173.613 176.117 -0.175 0.000 1.166 587 I CA -2.263 58.848 61.300 -0.315 0.000 1.417 587 I CB -0.856 36.759 38.000 -0.642 0.000 1.382 587 I HN 0.224 nan 8.210 nan 0.000 0.588 588 P HA 0.100 nan 4.420 nan 0.000 0.262 588 P C 0.398 177.657 177.300 -0.067 0.000 1.182 588 P CA 0.020 63.092 63.100 -0.046 0.000 0.761 588 P CB 0.601 32.291 31.700 -0.016 0.000 0.795 589 R N 1.819 122.303 120.500 -0.027 0.000 2.062 589 R HA 0.186 4.524 4.340 -0.003 0.000 0.218 589 R C 0.553 176.864 176.300 0.018 0.000 1.161 589 R CA 1.078 57.166 56.100 -0.020 0.000 0.994 589 R CB -0.020 30.265 30.300 -0.025 0.000 0.888 589 R HN 0.457 nan 8.270 nan 0.000 0.442 590 S N -0.649 115.071 115.700 0.032 0.000 2.599 590 S HA 0.658 5.127 4.470 -0.003 0.000 0.287 590 S C -1.214 173.427 174.600 0.068 0.000 1.105 590 S CA -0.674 57.558 58.200 0.054 0.000 0.899 590 S CB 1.363 64.598 63.200 0.058 0.000 1.100 590 S HN 0.188 nan 8.310 nan 0.000 0.482 591 I N 2.786 123.399 120.570 0.072 0.000 2.686 591 I HA 0.737 4.906 4.170 -0.003 0.000 0.295 591 I C -2.006 174.157 176.117 0.076 0.000 1.114 591 I CA -0.857 60.492 61.300 0.081 0.000 1.038 591 I CB 1.823 39.863 38.000 0.067 0.000 1.238 591 I HN 0.635 nan 8.210 nan 0.000 0.420 592 L N 7.685 128.960 121.223 0.086 0.000 2.513 592 L HA 0.569 4.908 4.340 -0.003 0.000 0.261 592 L C -1.482 175.428 176.870 0.067 0.000 0.945 592 L CA -0.384 54.500 54.840 0.072 0.000 0.848 592 L CB 2.081 44.189 42.059 0.081 0.000 1.334 592 L HN 0.585 nan 8.230 nan 0.000 0.407 593 M N 2.880 122.500 119.600 0.033 0.000 2.167 593 M HA 0.852 5.330 4.480 -0.003 0.000 0.333 593 M C -0.743 175.539 176.300 -0.031 0.000 1.030 593 M CA -0.266 55.044 55.300 0.016 0.000 0.963 593 M CB 1.507 34.104 32.600 -0.004 0.000 1.589 593 M HN 0.587 nan 8.290 nan 0.000 0.431 594 T N -0.754 113.756 114.554 -0.073 0.000 2.864 594 T HA 0.637 4.985 4.350 -0.003 0.000 0.299 594 T C -0.478 174.087 174.700 -0.225 0.000 1.166 594 T CA -0.794 61.182 62.100 -0.206 0.000 1.007 594 T CB 1.997 70.623 68.868 -0.403 0.000 1.219 594 T HN 0.587 nan 8.240 nan 0.000 0.506 595 T N 1.679 116.108 114.554 -0.209 0.000 2.779 595 T HA 0.583 4.931 4.350 -0.003 0.000 0.280 595 T C -0.307 174.368 174.700 -0.041 0.000 0.987 595 T CA -0.536 61.576 62.100 0.020 0.000 0.966 595 T CB 0.693 69.671 68.868 0.184 0.000 0.933 595 T HN 0.632 nan 8.240 nan 0.000 0.442 596 F N 0.635 120.723 119.950 0.230 0.000 2.463 596 F HA 0.372 4.898 4.527 -0.003 0.000 0.271 596 F C 1.584 177.428 175.800 0.073 0.000 0.888 596 F CA -0.471 57.619 58.000 0.151 0.000 1.149 596 F CB 0.873 39.986 39.000 0.188 0.000 1.071 596 F HN 0.459 nan 8.300 nan 0.000 0.802 597 E N -0.795 119.567 120.200 0.269 0.000 4.218 597 E HA 0.190 4.539 4.350 -0.003 0.000 0.120 597 E C -0.248 176.400 176.600 0.081 0.000 1.177 597 E CA -0.260 56.196 56.400 0.093 0.000 0.754 597 E CB 0.888 30.483 29.700 -0.175 0.000 1.924 597 E HN -0.271 nan 8.360 nan 0.000 0.458 598 S N 0.595 116.468 115.700 0.289 0.000 2.994 598 S HA 0.350 4.818 4.470 -0.003 0.000 0.247 598 S C -0.754 173.862 174.600 0.026 0.000 1.323 598 S CA -0.009 58.284 58.200 0.155 0.000 1.246 598 S CB -0.149 63.160 63.200 0.180 0.000 0.994 598 S HN 0.208 nan 8.310 nan 0.000 0.484 599 S N 1.505 117.133 115.700 -0.120 0.000 2.590 599 S HA 0.198 4.667 4.470 -0.003 0.000 0.286 599 S C -1.342 172.887 174.600 -0.617 0.000 1.147 599 S CA -0.759 57.194 58.200 -0.413 0.000 0.963 599 S CB 0.647 63.551 63.200 -0.494 0.000 1.124 599 S HN 0.455 nan 8.310 nan 0.000 0.458 600 H N 2.447 121.311 119.070 -0.344 0.000 2.652 600 H HA 0.313 4.868 4.556 -0.003 0.000 0.298 600 H C -0.956 174.204 175.328 -0.281 0.000 1.076 600 H CA 0.183 56.090 56.048 -0.235 0.000 1.360 600 H CB 0.275 29.967 29.762 -0.116 0.000 1.421 600 H HN 0.524 nan 8.280 nan 0.000 0.464 601 Y N 2.847 123.199 120.300 0.086 0.000 2.330 601 Y HA 0.210 4.759 4.550 -0.003 0.000 0.336 601 Y C -0.026 175.907 175.900 0.056 0.000 1.036 601 Y CA -0.870 57.273 58.100 0.072 0.000 1.125 601 Y CB 1.373 39.866 38.460 0.054 0.000 1.194 601 Y HN 0.377 nan 8.280 nan 0.000 0.469 602 L N 6.486 127.874 121.223 0.276 0.000 2.406 602 L HA 0.629 4.968 4.340 -0.003 0.000 0.270 602 L C -1.710 175.345 176.870 0.308 0.000 0.982 602 L CA -1.011 53.960 54.840 0.218 0.000 0.843 602 L CB 0.724 42.867 42.059 0.140 0.000 1.225 602 L HN 0.512 nan 8.230 nan 0.000 0.412 603 L N 3.675 125.059 121.223 0.268 0.000 2.301 603 L HA 0.955 5.293 4.340 -0.003 0.000 0.264 603 L C -0.452 176.559 176.870 0.236 0.000 1.016 603 L CA -0.748 54.272 54.840 0.301 0.000 0.821 603 L CB 1.534 43.762 42.059 0.281 0.000 1.346 603 L HN 0.670 nan 8.230 nan 0.000 0.429 604 C N 0.790 120.247 119.300 0.262 0.000 2.701 604 C HA 0.944 5.402 4.460 -0.003 0.000 0.336 604 C C -0.412 174.701 174.990 0.206 0.000 1.123 604 C CA 0.036 59.181 59.018 0.211 0.000 1.326 604 C CB 0.622 28.493 27.740 0.218 0.000 1.833 604 C HN 1.310 nan 8.230 nan 0.000 0.473 605 A N 6.162 129.053 122.820 0.119 0.000 2.318 605 A HA 0.756 5.074 4.320 -0.003 0.000 0.324 605 A C -0.306 177.312 177.584 0.057 0.000 1.170 605 A CA -0.575 51.497 52.037 0.060 0.000 0.810 605 A CB 0.614 19.610 19.000 -0.007 0.000 1.198 605 A HN 1.025 nan 8.150 nan 0.000 0.484 606 L N 1.569 122.824 121.223 0.054 0.000 2.682 606 L HA 0.396 4.734 4.340 -0.003 0.000 0.209 606 L C 1.725 178.581 176.870 -0.022 0.000 1.195 606 L CA 0.228 55.093 54.840 0.041 0.000 0.869 606 L CB 0.370 42.486 42.059 0.097 0.000 1.599 606 L HN 0.839 nan 8.230 nan 0.000 0.518 607 G N -1.100 107.678 108.800 -0.038 0.000 3.044 607 G HA2 -0.062 3.896 3.960 -0.003 0.000 0.223 607 G HA3 -0.062 3.896 3.960 -0.003 0.000 0.223 607 G C 0.556 175.422 174.900 -0.056 0.000 1.123 607 G CA 0.221 45.285 45.100 -0.060 0.000 0.765 607 G HN 0.740 nan 8.290 nan 0.000 0.546 608 D N -0.979 119.392 120.400 -0.049 0.000 2.369 608 D HA 0.228 4.866 4.640 -0.003 0.000 0.211 608 D C 1.586 177.846 176.300 -0.066 0.000 1.077 608 D CA 0.363 54.333 54.000 -0.049 0.000 0.842 608 D CB -0.135 40.644 40.800 -0.035 0.000 0.947 608 D HN 0.385 nan 8.370 nan 0.000 0.509 609 G N -0.541 108.210 108.800 -0.082 0.000 2.163 609 G HA2 -0.022 3.937 3.960 -0.003 0.000 0.213 609 G HA3 -0.022 3.937 3.960 -0.003 0.000 0.213 609 G C 0.418 175.236 174.900 -0.136 0.000 0.991 609 G CA -0.033 45.002 45.100 -0.107 0.000 0.653 609 G HN 0.741 nan 8.290 nan 0.000 0.518 610 A N -0.404 122.331 122.820 -0.141 0.000 2.304 610 A HA 0.926 5.244 4.320 -0.003 0.000 0.271 610 A C -0.022 177.388 177.584 -0.289 0.000 1.091 610 A CA 0.352 52.248 52.037 -0.236 0.000 0.812 610 A CB 1.253 20.102 19.000 -0.250 0.000 1.056 610 A HN 1.615 nan 8.150 nan 0.000 0.489 611 L N -0.105 120.845 121.223 -0.455 0.000 2.424 611 L HA 0.869 5.208 4.340 -0.003 0.000 0.258 611 L C -1.900 174.579 176.870 -0.652 0.000 0.995 611 L CA -0.660 53.952 54.840 -0.380 0.000 0.821 611 L CB 1.878 43.817 42.059 -0.200 0.000 1.383 611 L HN 0.672 nan 8.230 nan 0.000 0.410 612 F N 2.092 122.072 119.950 0.050 0.000 2.565 612 F HA 0.550 5.075 4.527 -0.003 0.000 0.313 612 F C -0.862 175.003 175.800 0.108 0.000 1.091 612 F CA -0.598 57.443 58.000 0.069 0.000 0.915 612 F CB 1.696 40.741 39.000 0.075 0.000 1.208 612 F HN 0.351 nan 8.300 nan 0.000 0.453 613 Y N -0.241 119.954 120.300 -0.174 0.000 2.485 613 Y HA 0.857 5.406 4.550 -0.003 0.000 0.345 613 Y C -1.814 173.808 175.900 -0.462 0.000 0.998 613 Y CA -1.761 56.253 58.100 -0.142 0.000 1.059 613 Y CB 2.012 40.462 38.460 -0.016 0.000 1.234 613 Y HN 0.469 nan 8.280 nan 0.000 0.461 614 F N 1.238 121.345 119.950 0.261 0.000 2.585 614 F HA 0.570 5.095 4.527 -0.003 0.000 0.319 614 F C 0.489 176.388 175.800 0.165 0.000 1.165 614 F CA -1.029 57.051 58.000 0.134 0.000 0.949 614 F CB 2.324 41.389 39.000 0.108 0.000 1.218 614 F HN 0.846 nan 8.300 nan 0.000 0.453 615 G N 2.490 111.436 108.800 0.244 0.000 2.503 615 G HA2 0.594 4.553 3.960 -0.003 0.000 0.257 615 G HA3 0.594 4.553 3.960 -0.003 0.000 0.257 615 G C -1.578 173.352 174.900 0.049 0.000 1.214 615 G CA -0.260 44.853 45.100 0.021 0.000 0.839 615 G HN 0.584 nan 8.290 nan 0.000 0.559 616 L N 0.376 121.588 121.223 -0.018 0.000 2.612 616 L HA 0.308 4.646 4.340 -0.003 0.000 0.256 616 L C -1.115 175.760 176.870 0.008 0.000 0.949 616 L CA -0.944 53.899 54.840 0.005 0.000 0.867 616 L CB 2.199 44.277 42.059 0.032 0.000 1.417 616 L HN 0.507 nan 8.230 nan 0.000 0.414 617 N N 3.741 122.441 118.700 -0.000 0.000 2.520 617 N HA 0.237 4.975 4.740 -0.003 0.000 0.273 617 N C 1.029 176.541 175.510 0.003 0.000 1.155 617 N CA -0.051 53.012 53.050 0.022 0.000 0.967 617 N CB 1.247 39.732 38.487 -0.003 0.000 1.092 617 N HN 0.756 nan 8.380 nan 0.000 0.457 618 I N -1.558 119.005 120.570 -0.012 0.000 3.176 618 I HA -0.038 4.131 4.170 -0.003 0.000 0.275 618 I C 1.221 177.303 176.117 -0.058 0.000 1.298 618 I CA 0.901 62.144 61.300 -0.095 0.000 1.445 618 I CB 0.050 37.907 38.000 -0.239 0.000 1.075 618 I HN 0.237 nan 8.210 nan 0.000 0.482 619 E N 1.928 122.113 120.200 -0.025 0.000 2.033 619 E HA -0.071 4.277 4.350 -0.003 0.000 0.189 619 E C 1.796 178.380 176.600 -0.027 0.000 0.979 619 E CA 2.093 58.480 56.400 -0.021 0.000 0.802 619 E CB -0.248 29.447 29.700 -0.009 0.000 0.763 619 E HN 0.784 nan 8.360 nan 0.000 0.449 620 T N -3.168 111.369 114.554 -0.029 0.000 2.614 620 T HA 0.541 4.890 4.350 -0.003 0.000 0.163 620 T C 0.728 175.406 174.700 -0.036 0.000 0.806 620 T CA 0.173 62.253 62.100 -0.034 0.000 1.020 620 T CB 0.981 69.825 68.868 -0.040 0.000 2.539 620 T HN 0.180 nan 8.240 nan 0.000 0.380 621 G N 1.022 109.793 108.800 -0.048 0.000 3.559 621 G HA2 0.440 4.398 3.960 -0.003 0.000 0.239 621 G HA3 0.440 4.398 3.960 -0.003 0.000 0.239 621 G C -1.412 173.420 174.900 -0.112 0.000 3.928 621 G CA -0.783 44.290 45.100 -0.046 0.000 0.458 621 G HN 0.493 nan 8.290 nan 0.000 0.270 622 L N 0.997 122.150 121.223 -0.117 0.000 2.317 622 L HA 0.591 4.929 4.340 -0.003 0.000 0.281 622 L C 0.672 177.471 176.870 -0.119 0.000 1.024 622 L CA -0.736 53.998 54.840 -0.178 0.000 0.810 622 L CB 1.734 43.715 42.059 -0.130 0.000 1.240 622 L HN 0.315 nan 8.230 nan 0.000 0.427 623 L N 2.739 123.865 121.223 -0.161 0.000 2.433 623 L HA 0.193 4.532 4.340 -0.003 0.000 0.275 623 L C 0.643 177.569 176.870 0.094 0.000 1.128 623 L CA 0.234 55.044 54.840 -0.051 0.000 0.875 623 L CB 0.218 42.224 42.059 -0.089 0.000 1.171 623 L HN 0.770 nan 8.230 nan 0.000 0.463 624 S N 1.326 117.161 115.700 0.225 0.000 2.430 624 S HA 0.199 4.667 4.470 -0.003 0.000 0.246 624 S C -0.404 174.258 174.600 0.104 0.000 1.155 624 S CA -0.792 57.480 58.200 0.120 0.000 1.054 624 S CB 0.343 63.572 63.200 0.047 0.000 1.154 624 S HN 0.591 nan 8.310 nan 0.000 0.482 625 D N 1.985 122.336 120.400 -0.081 0.000 2.548 625 D HA 0.152 4.790 4.640 -0.003 0.000 0.231 625 D C 0.191 176.193 176.300 -0.496 0.000 1.142 625 D CA 0.874 54.704 54.000 -0.284 0.000 0.866 625 D CB 0.158 40.693 40.800 -0.441 0.000 1.190 625 D HN 0.184 nan 8.370 nan 0.000 0.469 626 R N 2.157 122.444 120.500 -0.355 0.000 2.810 626 R HA 0.167 4.505 4.340 -0.003 0.000 0.280 626 R C -1.468 174.839 176.300 0.010 0.000 1.517 626 R CA -0.527 55.408 56.100 -0.276 0.000 1.063 626 R CB 0.371 30.639 30.300 -0.054 0.000 1.275 626 R HN 0.374 nan 8.270 nan 0.000 0.464 627 K N 3.275 123.811 120.400 0.228 0.000 2.541 627 K HA 0.210 4.529 4.320 -0.003 0.000 0.250 627 K C -0.698 176.027 176.600 0.208 0.000 0.950 627 K CA -0.774 55.656 56.287 0.239 0.000 0.805 627 K CB 2.877 35.485 32.500 0.180 0.000 1.166 627 K HN 0.288 nan 8.250 nan 0.000 0.430 628 K N 3.283 123.752 120.400 0.116 0.000 2.163 628 K HA 0.024 4.343 4.320 -0.003 0.000 0.267 628 K C -0.142 176.359 176.600 -0.166 0.000 1.098 628 K CA -0.149 56.042 56.287 -0.160 0.000 1.062 628 K CB -0.136 32.323 32.500 -0.069 0.000 1.033 628 K HN 0.408 nan 8.250 nan 0.000 0.396 629 V N 2.053 121.834 119.914 -0.222 0.000 2.304 629 V HA 0.220 4.338 4.120 -0.003 0.000 0.269 629 V C 0.307 176.314 176.094 -0.144 0.000 1.036 629 V CA -0.863 61.355 62.300 -0.136 0.000 0.840 629 V CB 0.532 32.287 31.823 -0.114 0.000 1.036 629 V HN 0.677 nan 8.190 nan 0.000 0.466 630 T N 3.994 118.472 114.554 -0.126 0.000 2.913 630 T HA 0.599 4.947 4.350 -0.003 0.000 0.297 630 T C 0.402 175.021 174.700 -0.135 0.000 1.029 630 T CA -0.223 61.791 62.100 -0.143 0.000 1.104 630 T CB 1.274 70.077 68.868 -0.108 0.000 0.964 630 T HN 0.564 nan 8.240 nan 0.000 0.532 631 L N 2.206 123.325 121.223 -0.172 0.000 2.806 631 L HA 0.548 4.886 4.340 -0.003 0.000 0.203 631 L C 1.981 178.757 176.870 -0.157 0.000 1.435 631 L CA -0.654 54.066 54.840 -0.199 0.000 2.687 631 L CB -0.755 41.136 42.059 -0.280 0.000 2.525 631 L HN 0.847 nan 8.230 nan 0.000 0.963 632 G N -0.460 108.243 108.800 -0.161 0.000 2.514 632 G HA2 0.257 4.216 3.960 -0.003 0.000 0.245 632 G HA3 0.257 4.216 3.960 -0.003 0.000 0.245 632 G C 0.647 175.485 174.900 -0.102 0.000 1.488 632 G CA 0.715 45.739 45.100 -0.127 0.000 1.063 632 G HN 0.511 nan 8.290 nan 0.000 0.557 633 T N -3.063 111.439 114.554 -0.087 0.000 3.004 633 T HA 0.248 4.596 4.350 -0.003 0.000 0.266 633 T C 0.531 175.189 174.700 -0.069 0.000 0.986 633 T CA -0.138 61.919 62.100 -0.070 0.000 0.902 633 T CB 0.465 69.301 68.868 -0.053 0.000 1.118 633 T HN 0.230 nan 8.240 nan 0.000 0.522 634 Q N 3.040 122.791 119.800 -0.080 0.000 2.259 634 Q HA 0.364 4.703 4.340 -0.003 0.000 0.249 634 Q C -2.651 173.295 176.000 -0.090 0.000 0.914 634 Q CA -2.916 52.839 55.803 -0.080 0.000 0.904 634 Q CB 0.947 29.632 28.738 -0.088 0.000 1.213 634 Q HN 0.232 nan 8.270 nan 0.000 0.428 635 P HA -0.056 nan 4.420 nan 0.000 0.260 635 P C -0.490 176.754 177.300 -0.093 0.000 1.185 635 P CA 0.343 63.398 63.100 -0.075 0.000 0.763 635 P CB 0.157 31.822 31.700 -0.059 0.000 0.776 636 T N 2.935 117.432 114.554 -0.095 0.000 2.907 636 T HA 0.257 4.605 4.350 -0.003 0.000 0.298 636 T C 0.366 175.020 174.700 -0.076 0.000 1.017 636 T CA -0.141 61.894 62.100 -0.109 0.000 1.118 636 T CB 0.572 69.364 68.868 -0.126 0.000 0.948 636 T HN 0.098 nan 8.240 nan 0.000 0.531 637 V N 4.396 124.260 119.914 -0.083 0.000 2.448 637 V HA 0.401 4.519 4.120 -0.003 0.000 0.295 637 V C -0.697 175.407 176.094 0.017 0.000 1.025 637 V CA -0.905 61.379 62.300 -0.027 0.000 0.859 637 V CB 1.596 33.385 31.823 -0.057 0.000 0.988 637 V HN 0.565 nan 8.190 nan 0.000 0.431 638 L N 5.131 126.388 121.223 0.056 0.000 2.322 638 L HA 0.760 5.099 4.340 -0.003 0.000 0.279 638 L C -0.017 176.931 176.870 0.130 0.000 1.036 638 L CA -0.083 54.810 54.840 0.089 0.000 0.807 638 L CB 1.396 43.502 42.059 0.079 0.000 1.226 638 L HN 0.673 nan 8.230 nan 0.000 0.433 639 R N 0.021 120.628 120.500 0.179 0.000 2.817 639 R HA 0.815 5.154 4.340 -0.003 0.000 0.268 639 R C -1.401 175.041 176.300 0.236 0.000 1.027 639 R CA -0.500 55.712 56.100 0.185 0.000 0.928 639 R CB 1.793 32.181 30.300 0.146 0.000 1.228 639 R HN 0.650 nan 8.270 nan 0.000 0.469 640 T N 1.927 116.602 114.554 0.201 0.000 2.829 640 T HA 0.698 5.046 4.350 -0.003 0.000 0.280 640 T C -1.049 173.780 174.700 0.216 0.000 0.999 640 T CA -0.499 61.698 62.100 0.162 0.000 0.983 640 T CB 0.633 69.554 68.868 0.089 0.000 0.968 640 T HN 0.419 nan 8.240 nan 0.000 0.446 641 F N -0.610 119.371 119.950 0.052 0.000 2.601 641 F HA 0.715 5.241 4.527 -0.003 0.000 0.309 641 F C -0.567 175.256 175.800 0.038 0.000 1.089 641 F CA -1.557 56.449 58.000 0.010 0.000 0.940 641 F CB 1.561 40.535 39.000 -0.045 0.000 1.273 641 F HN 0.426 nan 8.300 nan 0.000 0.450 642 R N 2.000 122.590 120.500 0.150 0.000 2.308 642 R HA 0.581 4.919 4.340 -0.003 0.000 0.305 642 R C -0.106 176.302 176.300 0.180 0.000 1.053 642 R CA 0.504 56.659 56.100 0.091 0.000 0.957 642 R CB 1.238 31.593 30.300 0.092 0.000 1.022 642 R HN 1.125 nan 8.270 nan 0.000 0.461 643 S N 4.429 120.201 115.700 0.119 0.000 4.107 643 S HA 0.238 4.707 4.470 -0.003 0.000 0.196 643 S C 1.052 175.730 174.600 0.130 0.000 1.125 643 S CA -0.477 57.832 58.200 0.182 0.000 1.614 643 S CB -0.490 62.853 63.200 0.239 0.000 1.234 643 S HN 0.504 nan 8.310 nan 0.000 0.799 644 L N 1.500 122.799 121.223 0.126 0.000 2.563 644 L HA 0.464 4.802 4.340 -0.003 0.000 0.150 644 L C 2.498 179.411 176.870 0.071 0.000 1.484 644 L CA 0.322 55.218 54.840 0.093 0.000 3.029 644 L CB -1.275 40.836 42.059 0.088 0.000 2.995 644 L HN 0.724 nan 8.230 nan 0.000 0.944 645 S N -0.264 115.472 115.700 0.060 0.000 2.325 645 S HA -0.050 4.418 4.470 -0.003 0.000 0.213 645 S C 1.101 175.734 174.600 0.056 0.000 1.031 645 S CA 0.619 58.851 58.200 0.053 0.000 0.984 645 S CB -1.654 61.572 63.200 0.044 0.000 0.939 645 S HN 0.794 nan 8.310 nan 0.000 0.438 646 T N 2.059 116.644 114.554 0.052 0.000 2.901 646 T HA 0.469 4.818 4.350 -0.003 0.000 0.301 646 T C 0.129 174.843 174.700 0.023 0.000 1.012 646 T CA -0.173 61.959 62.100 0.053 0.000 1.135 646 T CB 0.759 69.644 68.868 0.029 0.000 0.936 646 T HN 0.632 nan 8.240 nan 0.000 0.539 647 T N 1.451 116.020 114.554 0.026 0.000 2.794 647 T HA 0.514 4.863 4.350 -0.003 0.000 0.280 647 T C -0.273 174.343 174.700 -0.140 0.000 0.987 647 T CA -1.015 61.033 62.100 -0.087 0.000 0.993 647 T CB 0.990 69.837 68.868 -0.035 0.000 0.939 647 T HN 0.585 nan 8.240 nan 0.000 0.449 648 N N 1.563 119.887 118.700 -0.627 0.000 2.989 648 N HA 0.626 5.364 4.740 -0.003 0.000 0.338 648 N C -1.224 173.936 175.510 -0.583 0.000 1.369 648 N CA -0.604 52.081 53.050 -0.608 0.000 0.794 648 N CB 1.860 39.882 38.487 -0.775 0.000 1.359 648 N HN 0.486 nan 8.380 nan 0.000 0.609 649 V N 1.330 121.177 119.914 -0.111 0.000 2.487 649 V HA 0.374 4.492 4.120 -0.003 0.000 0.298 649 V C -1.181 175.142 176.094 0.383 0.000 1.028 649 V CA -0.662 61.776 62.300 0.230 0.000 0.860 649 V CB 1.248 33.237 31.823 0.277 0.000 0.991 649 V HN 0.480 nan 8.190 nan 0.000 0.427 650 F N 4.973 125.124 119.950 0.336 0.000 2.347 650 F HA 0.731 5.257 4.527 -0.003 0.000 0.366 650 F C 0.532 176.318 175.800 -0.023 0.000 1.107 650 F CA -0.634 57.423 58.000 0.095 0.000 1.058 650 F CB 0.939 39.898 39.000 -0.069 0.000 1.236 650 F HN 0.551 nan 8.300 nan 0.000 0.456 651 A N 6.134 128.767 122.820 -0.312 0.000 2.350 651 A HA 0.414 4.732 4.320 -0.003 0.000 0.293 651 A C -0.386 176.979 177.584 -0.366 0.000 1.231 651 A CA -0.419 51.451 52.037 -0.278 0.000 0.883 651 A CB -0.736 18.059 19.000 -0.341 0.000 1.133 651 A HN 0.836 nan 8.150 nan 0.000 0.533 652 C N 2.449 121.679 119.300 -0.117 0.000 2.527 652 C HA 0.781 5.239 4.460 -0.003 0.000 0.396 652 C C 1.058 175.944 174.990 -0.173 0.000 1.289 652 C CA 0.020 58.979 59.018 -0.099 0.000 2.047 652 C CB -0.207 27.511 27.740 -0.037 0.000 2.568 652 C HN 1.034 nan 8.230 nan 0.000 0.573 653 S N 0.565 116.159 115.700 -0.177 0.000 2.669 653 S HA 0.227 4.695 4.470 -0.003 0.000 0.266 653 S C 0.120 174.634 174.600 -0.144 0.000 1.149 653 S CA -0.041 58.057 58.200 -0.169 0.000 0.842 653 S CB 0.617 63.704 63.200 -0.188 0.000 1.160 653 S HN 0.816 nan 8.310 nan 0.000 0.487 654 D N 0.605 120.931 120.400 -0.124 0.000 2.348 654 D HA -0.022 4.616 4.640 -0.003 0.000 0.216 654 D C 0.703 176.935 176.300 -0.113 0.000 0.970 654 D CA 0.388 54.327 54.000 -0.102 0.000 0.889 654 D CB -0.080 40.670 40.800 -0.084 0.000 0.912 654 D HN 0.378 nan 8.370 nan 0.000 0.524 655 R N 0.896 121.309 120.500 -0.144 0.000 2.724 655 R HA 0.276 4.614 4.340 -0.003 0.000 0.284 655 R C -2.674 173.490 176.300 -0.228 0.000 1.481 655 R CA -1.854 54.149 56.100 -0.163 0.000 1.652 655 R CB 0.965 31.171 30.300 -0.156 0.000 1.175 655 R HN -0.114 nan 8.270 nan 0.000 0.613 656 P HA -0.068 nan 4.420 nan 0.000 0.253 656 P C -0.965 176.069 177.300 -0.444 0.000 1.159 656 P CA 0.948 63.830 63.100 -0.364 0.000 0.779 656 P CB 0.696 32.254 31.700 -0.236 0.000 0.745 657 T N 2.437 116.635 114.554 -0.593 0.000 2.908 657 T HA 0.530 4.878 4.350 -0.003 0.000 0.290 657 T C -0.320 174.005 174.700 -0.625 0.000 1.034 657 T CA -0.565 61.215 62.100 -0.534 0.000 1.010 657 T CB 1.490 70.027 68.868 -0.551 0.000 1.068 657 T HN -0.086 nan 8.240 nan 0.000 0.481 658 V N 2.665 122.336 119.914 -0.404 0.000 2.604 658 V HA 0.520 4.638 4.120 -0.003 0.000 0.305 658 V C -0.604 175.372 176.094 -0.197 0.000 1.043 658 V CA -0.845 61.284 62.300 -0.285 0.000 0.888 658 V CB 1.767 33.492 31.823 -0.165 0.000 0.995 658 V HN 0.772 nan 8.190 nan 0.000 0.429 659 I N 5.205 125.676 120.570 -0.166 0.000 2.330 659 I HA 0.424 4.593 4.170 -0.003 0.000 0.286 659 I C -0.544 175.450 176.117 -0.206 0.000 1.025 659 I CA -0.091 61.186 61.300 -0.039 0.000 1.197 659 I CB 0.669 38.715 38.000 0.078 0.000 1.358 659 I HN 0.547 nan 8.210 nan 0.000 0.467 660 Y N 3.080 123.325 120.300 -0.092 0.000 3.052 660 Y HA 0.496 5.045 4.550 -0.003 0.000 0.361 660 Y C 0.664 176.373 175.900 -0.318 0.000 1.255 660 Y CA -0.457 57.504 58.100 -0.232 0.000 1.111 660 Y CB 1.047 39.447 38.460 -0.100 0.000 1.361 660 Y HN 0.317 nan 8.280 nan 0.000 0.810 661 S N -0.398 115.304 115.700 0.004 0.000 2.614 661 S HA 0.288 4.756 4.470 -0.003 0.000 0.275 661 S C -0.530 174.047 174.600 -0.038 0.000 1.161 661 S CA -0.829 57.322 58.200 -0.081 0.000 0.969 661 S CB 1.671 64.774 63.200 -0.161 0.000 1.059 661 S HN 0.582 nan 8.310 nan 0.000 0.482 662 S N 2.377 118.067 115.700 -0.017 0.000 2.298 662 S HA 0.156 4.625 4.470 -0.003 0.000 0.245 662 S C 1.653 176.257 174.600 0.006 0.000 1.230 662 S CA 0.801 59.000 58.200 -0.003 0.000 1.009 662 S CB -0.291 62.913 63.200 0.007 0.000 1.019 662 S HN 0.822 nan 8.310 nan 0.000 0.459 663 N N 0.292 119.006 118.700 0.024 0.000 2.064 663 N HA -0.262 4.476 4.740 -0.003 0.000 0.200 663 N C 1.225 176.798 175.510 0.104 0.000 1.028 663 N CA 2.593 55.669 53.050 0.044 0.000 0.880 663 N CB -0.208 38.295 38.487 0.028 0.000 1.062 663 N HN 0.707 nan 8.380 nan 0.000 0.454 664 H N -1.752 117.336 119.070 0.029 0.000 3.514 664 H HA 0.298 4.853 4.556 -0.003 0.000 0.268 664 H C -0.724 174.660 175.328 0.093 0.000 1.134 664 H CA -0.370 55.717 56.048 0.064 0.000 1.071 664 H CB -0.030 29.765 29.762 0.055 0.000 2.519 664 H HN 0.180 nan 8.280 nan 0.000 0.792 665 K N 0.536 121.030 120.400 0.156 0.000 2.399 665 K HA 0.543 4.862 4.320 -0.003 0.000 0.247 665 K C -0.493 176.127 176.600 0.034 0.000 1.036 665 K CA -0.669 55.684 56.287 0.109 0.000 0.977 665 K CB 1.094 33.621 32.500 0.044 0.000 1.272 665 K HN -0.016 nan 8.250 nan 0.000 0.501 666 L N 1.242 122.450 121.223 -0.025 0.000 2.333 666 L HA 0.356 4.694 4.340 -0.003 0.000 0.280 666 L C -0.804 176.036 176.870 -0.050 0.000 1.004 666 L CA -0.995 53.805 54.840 -0.066 0.000 0.820 666 L CB 1.781 43.782 42.059 -0.097 0.000 1.247 666 L HN 0.216 nan 8.230 nan 0.000 0.416 667 V N 2.745 122.703 119.914 0.073 0.000 2.614 667 V HA 0.232 4.351 4.120 -0.003 0.000 0.291 667 V C -0.359 175.972 176.094 0.394 0.000 1.049 667 V CA -0.026 62.365 62.300 0.151 0.000 1.038 667 V CB 0.856 32.782 31.823 0.172 0.000 0.980 667 V HN 0.359 nan 8.190 nan 0.000 0.481 668 F N 2.675 122.614 119.950 -0.019 0.000 2.325 668 F HA 0.535 5.060 4.527 -0.003 0.000 0.369 668 F C 0.502 176.282 175.800 -0.033 0.000 1.095 668 F CA -0.709 57.258 58.000 -0.054 0.000 1.082 668 F CB 1.249 40.189 39.000 -0.100 0.000 1.289 668 F HN 0.416 nan 8.300 nan 0.000 0.462 669 S N 2.627 118.391 115.700 0.107 0.000 2.513 669 S HA 0.388 4.856 4.470 -0.003 0.000 0.299 669 S C -0.286 174.282 174.600 -0.053 0.000 1.087 669 S CA -0.978 57.251 58.200 0.047 0.000 1.012 669 S CB 1.514 64.776 63.200 0.103 0.000 1.044 669 S HN 0.358 nan 8.310 nan 0.000 0.485 670 N N 1.388 120.052 118.700 -0.060 0.000 2.412 670 N HA 0.112 4.850 4.740 -0.003 0.000 0.254 670 N C -0.511 174.950 175.510 -0.082 0.000 1.232 670 N CA 0.173 53.164 53.050 -0.098 0.000 0.880 670 N CB 0.495 38.935 38.487 -0.078 0.000 1.076 670 N HN 0.309 nan 8.380 nan 0.000 0.458 671 V N 2.835 122.671 119.914 -0.130 0.000 2.567 671 V HA 0.113 4.232 4.120 -0.003 0.000 0.289 671 V C 0.518 176.570 176.094 -0.070 0.000 1.049 671 V CA -0.704 61.544 62.300 -0.087 0.000 0.969 671 V CB 1.067 32.822 31.823 -0.112 0.000 0.995 671 V HN 0.514 nan 8.190 nan 0.000 0.471 672 N N 5.556 124.229 118.700 -0.046 0.000 3.245 672 N HA 0.404 5.143 4.740 -0.003 0.000 0.296 672 N C -0.719 174.762 175.510 -0.049 0.000 1.254 672 N CA 0.218 53.240 53.050 -0.047 0.000 1.190 672 N CB -0.034 38.428 38.487 -0.043 0.000 1.460 672 N HN 0.512 nan 8.380 nan 0.000 0.538 673 L N -0.243 120.951 121.223 -0.049 0.000 2.341 673 L HA 0.382 4.721 4.340 -0.003 0.000 0.254 673 L C 1.223 178.065 176.870 -0.047 0.000 1.040 673 L CA -0.799 54.015 54.840 -0.043 0.000 0.837 673 L CB 1.736 43.781 42.059 -0.025 0.000 1.425 673 L HN -0.073 nan 8.230 nan 0.000 0.414 674 K N 0.798 121.174 120.400 -0.041 0.000 1.980 674 K HA 0.024 4.342 4.320 -0.003 0.000 0.208 674 K C -0.002 176.569 176.600 -0.048 0.000 1.043 674 K CA 1.445 57.708 56.287 -0.040 0.000 0.938 674 K CB 0.260 32.740 32.500 -0.032 0.000 0.724 674 K HN 0.567 nan 8.250 nan 0.000 0.438 675 E N -0.575 119.597 120.200 -0.046 0.000 2.481 675 E HA 0.247 4.595 4.350 -0.003 0.000 0.301 675 E C -1.778 174.793 176.600 -0.049 0.000 0.948 675 E CA -0.599 55.766 56.400 -0.058 0.000 0.804 675 E CB 1.469 31.133 29.700 -0.059 0.000 1.265 675 E HN -0.065 nan 8.360 nan 0.000 0.406 676 V N 4.469 124.355 119.914 -0.046 0.000 2.483 676 V HA 0.333 4.451 4.120 -0.003 0.000 0.295 676 V C 0.279 176.303 176.094 -0.117 0.000 1.035 676 V CA -0.622 61.660 62.300 -0.029 0.000 0.896 676 V CB 1.637 33.529 31.823 0.115 0.000 0.986 676 V HN 0.722 nan 8.190 nan 0.000 0.447 677 N N 1.837 120.419 118.700 -0.198 0.000 2.545 677 N HA 0.182 4.920 4.740 -0.003 0.000 0.190 677 N C -0.627 174.327 175.510 -0.927 0.000 1.043 677 N CA 0.774 53.511 53.050 -0.521 0.000 0.879 677 N CB 0.503 38.722 38.487 -0.448 0.000 1.210 677 N HN 0.679 nan 8.380 nan 0.000 0.437 678 Y N -0.385 119.864 120.300 -0.085 0.000 2.562 678 Y HA 0.584 5.133 4.550 -0.003 0.000 0.345 678 Y C -0.241 175.537 175.900 -0.204 0.000 1.045 678 Y CA -1.120 56.892 58.100 -0.146 0.000 1.028 678 Y CB 2.003 40.327 38.460 -0.227 0.000 1.297 678 Y HN -0.232 nan 8.280 nan 0.000 0.463 679 M N 3.645 123.178 119.600 -0.112 0.000 2.322 679 M HA 0.649 5.128 4.480 -0.003 0.000 0.285 679 M C -2.069 174.061 176.300 -0.284 0.000 1.119 679 M CA -0.588 54.531 55.300 -0.302 0.000 0.953 679 M CB 1.271 33.498 32.600 -0.620 0.000 1.701 679 M HN 0.914 nan 8.290 nan 0.000 0.479 680 C N 3.160 122.284 119.300 -0.294 0.000 2.707 680 C HA 0.992 5.450 4.460 -0.003 0.000 0.313 680 C C -2.539 172.320 174.990 -0.219 0.000 1.209 680 C CA -1.485 57.395 59.018 -0.230 0.000 1.635 680 C CB 1.599 29.196 27.740 -0.239 0.000 2.206 680 C HN 0.702 nan 8.230 nan 0.000 0.485 681 P HA 0.612 nan 4.420 nan 0.000 0.293 681 P C -0.711 176.484 177.300 -0.176 0.000 1.298 681 P CA -0.118 62.921 63.100 -0.101 0.000 0.757 681 P CB 0.408 32.113 31.700 0.009 0.000 1.262 682 L N -1.288 119.845 121.223 -0.150 0.000 3.104 682 L HA 0.483 4.822 4.340 -0.003 0.000 0.290 682 L C -1.144 175.675 176.870 -0.085 0.000 0.993 682 L CA -0.084 54.635 54.840 -0.200 0.000 1.016 682 L CB 0.858 42.838 42.059 -0.132 0.000 1.599 682 L HN 0.369 nan 8.230 nan 0.000 0.365 683 N N -0.494 118.204 118.700 -0.004 0.000 2.425 683 N HA 0.044 4.782 4.740 -0.003 0.000 0.237 683 N C -0.898 174.710 175.510 0.162 0.000 1.406 683 N CA 0.569 53.686 53.050 0.111 0.000 1.198 683 N CB 0.307 38.895 38.487 0.169 0.000 1.331 683 N HN 0.561 nan 8.380 nan 0.000 0.550 684 S N 0.273 116.069 115.700 0.160 0.000 2.549 684 S HA -0.067 4.402 4.470 -0.003 0.000 0.278 684 S C 1.396 176.080 174.600 0.141 0.000 1.344 684 S CA 0.714 59.026 58.200 0.187 0.000 1.025 684 S CB 0.431 63.784 63.200 0.255 0.000 0.851 684 S HN 0.364 nan 8.310 nan 0.000 0.530 685 D N 1.920 122.391 120.400 0.119 0.000 2.350 685 D HA -0.005 4.634 4.640 -0.003 0.000 0.216 685 D C 1.130 177.440 176.300 0.016 0.000 0.968 685 D CA 1.039 55.076 54.000 0.062 0.000 0.894 685 D CB -0.310 40.521 40.800 0.052 0.000 0.909 685 D HN 0.605 nan 8.370 nan 0.000 0.520 686 G N -1.111 107.700 108.800 0.018 0.000 3.443 686 G HA2 0.149 4.108 3.960 -0.003 0.000 0.252 686 G HA3 0.149 4.108 3.960 -0.003 0.000 0.252 686 G C -0.327 174.318 174.900 -0.426 0.000 1.015 686 G CA -0.373 44.615 45.100 -0.187 0.000 0.891 686 G HN 0.176 nan 8.290 nan 0.000 0.510 687 Y N 0.953 121.273 120.300 0.033 0.000 2.529 687 Y HA 0.342 4.891 4.550 -0.003 0.000 0.319 687 Y C -2.567 173.369 175.900 0.059 0.000 1.063 687 Y CA -1.952 56.182 58.100 0.058 0.000 1.178 687 Y CB 1.486 39.993 38.460 0.079 0.000 1.123 687 Y HN 0.002 nan 8.280 nan 0.000 0.625 688 P HA -0.028 nan 4.420 nan 0.000 0.275 688 P C 0.147 177.518 177.300 0.119 0.000 1.270 688 P CA -0.285 62.881 63.100 0.111 0.000 0.791 688 P CB 0.633 32.372 31.700 0.066 0.000 1.089 689 D N -0.176 120.282 120.400 0.095 0.000 7.621 689 D HA -0.164 4.474 4.640 -0.003 0.000 0.167 689 D C -0.280 176.074 176.300 0.090 0.000 1.247 689 D CA 1.070 55.123 54.000 0.089 0.000 0.865 689 D CB -0.504 40.349 40.800 0.088 0.000 1.601 689 D HN 0.223 nan 8.370 nan 0.000 0.904 690 S N 1.856 117.592 115.700 0.060 0.000 2.732 690 S HA 0.855 5.324 4.470 -0.003 0.000 0.293 690 S C -1.026 173.528 174.600 -0.077 0.000 1.159 690 S CA -0.863 57.349 58.200 0.020 0.000 0.847 690 S CB 1.181 64.433 63.200 0.088 0.000 1.169 690 S HN 0.276 nan 8.310 nan 0.000 0.501 691 L N 1.236 122.364 121.223 -0.158 0.000 2.422 691 L HA 0.854 5.193 4.340 -0.003 0.000 0.264 691 L C -0.524 176.181 176.870 -0.275 0.000 0.984 691 L CA -1.089 53.593 54.840 -0.263 0.000 0.819 691 L CB 2.000 43.812 42.059 -0.412 0.000 1.330 691 L HN 0.747 nan 8.230 nan 0.000 0.410 692 A N 2.934 125.582 122.820 -0.288 0.000 2.317 692 A HA 0.940 5.259 4.320 -0.003 0.000 0.327 692 A C -1.079 176.337 177.584 -0.281 0.000 1.178 692 A CA -0.372 51.507 52.037 -0.263 0.000 0.817 692 A CB 1.143 20.002 19.000 -0.235 0.000 1.189 692 A HN 0.537 nan 8.150 nan 0.000 0.489 693 L N 1.185 122.270 121.223 -0.230 0.000 2.464 693 L HA 0.726 5.064 4.340 -0.003 0.000 0.266 693 L C 0.004 176.803 176.870 -0.118 0.000 0.965 693 L CA 0.053 54.773 54.840 -0.200 0.000 0.833 693 L CB 2.193 44.122 42.059 -0.217 0.000 1.296 693 L HN 0.878 nan 8.230 nan 0.000 0.405 694 A N 2.630 125.408 122.820 -0.070 0.000 2.356 694 A HA 0.807 5.125 4.320 -0.003 0.000 0.310 694 A C -0.781 176.806 177.584 0.004 0.000 1.075 694 A CA -0.612 51.414 52.037 -0.018 0.000 0.746 694 A CB 1.150 20.158 19.000 0.013 0.000 1.221 694 A HN 0.712 nan 8.150 nan 0.000 0.443 695 N N 1.515 120.218 118.700 0.004 0.000 2.725 695 N HA 0.134 4.873 4.740 -0.003 0.000 0.312 695 N C 0.236 175.766 175.510 0.034 0.000 1.295 695 N CA -0.530 52.521 53.050 0.003 0.000 0.914 695 N CB 0.107 38.587 38.487 -0.011 0.000 1.177 695 N HN 0.368 nan 8.380 nan 0.000 0.601 696 N N -0.460 118.256 118.700 0.026 0.000 2.139 696 N HA -0.226 4.512 4.740 -0.003 0.000 0.199 696 N C 0.194 175.739 175.510 0.058 0.000 1.003 696 N CA 2.608 55.684 53.050 0.043 0.000 0.892 696 N CB -0.340 38.162 38.487 0.025 0.000 1.039 696 N HN 0.744 nan 8.380 nan 0.000 0.461 697 S N -3.974 111.753 115.700 0.045 0.000 2.968 697 S HA 0.292 4.761 4.470 -0.003 0.000 0.243 697 S C -0.484 174.138 174.600 0.038 0.000 0.799 697 S CA -0.759 57.470 58.200 0.050 0.000 1.101 697 S CB 0.138 63.361 63.200 0.038 0.000 1.313 697 S HN 0.013 nan 8.310 nan 0.000 0.521 698 T N 1.915 116.486 114.554 0.029 0.000 2.956 698 T HA 0.546 4.895 4.350 -0.003 0.000 0.312 698 T C -1.272 173.426 174.700 -0.004 0.000 1.151 698 T CA -0.580 61.527 62.100 0.012 0.000 1.024 698 T CB 2.074 70.939 68.868 -0.003 0.000 1.140 698 T HN 0.380 nan 8.240 nan 0.000 0.473 699 L N 2.473 123.687 121.223 -0.014 0.000 2.317 699 L HA 0.792 5.130 4.340 -0.003 0.000 0.281 699 L C -0.622 176.203 176.870 -0.074 0.000 1.024 699 L CA -0.162 54.648 54.840 -0.050 0.000 0.810 699 L CB 1.383 43.413 42.059 -0.048 0.000 1.240 699 L HN 0.805 nan 8.230 nan 0.000 0.427 700 T N 4.719 119.206 114.554 -0.111 0.000 2.864 700 T HA 0.680 5.029 4.350 -0.003 0.000 0.299 700 T C -0.994 173.594 174.700 -0.187 0.000 1.166 700 T CA -0.522 61.501 62.100 -0.129 0.000 1.007 700 T CB 2.192 70.995 68.868 -0.108 0.000 1.219 700 T HN 0.475 nan 8.240 nan 0.000 0.506 701 I N -1.177 119.273 120.570 -0.200 0.000 2.710 701 I HA 0.823 4.991 4.170 -0.003 0.000 0.290 701 I C -0.290 175.678 176.117 -0.248 0.000 1.318 701 I CA -0.609 60.550 61.300 -0.235 0.000 1.045 701 I CB 1.144 38.932 38.000 -0.352 0.000 1.307 701 I HN 0.967 nan 8.210 nan 0.000 0.424 702 G N 3.927 112.548 108.800 -0.299 0.000 2.500 702 G HA2 0.658 4.616 3.960 -0.003 0.000 0.299 702 G HA3 0.658 4.616 3.960 -0.003 0.000 0.299 702 G C -0.990 173.744 174.900 -0.277 0.000 1.242 702 G CA 0.125 44.859 45.100 -0.610 0.000 0.859 702 G HN 0.893 nan 8.290 nan 0.000 0.481 703 T N -1.448 112.989 114.554 -0.194 0.000 2.944 703 T HA 0.759 5.108 4.350 -0.003 0.000 0.284 703 T C -0.309 174.395 174.700 0.007 0.000 1.010 703 T CA -0.716 61.390 62.100 0.010 0.000 1.025 703 T CB 1.954 70.892 68.868 0.116 0.000 1.079 703 T HN 0.489 nan 8.240 nan 0.000 0.516 704 I N 1.029 121.619 120.570 0.033 0.000 2.530 704 I HA 0.335 4.503 4.170 -0.003 0.000 0.297 704 I C 0.171 176.332 176.117 0.073 0.000 1.011 704 I CA -0.615 60.710 61.300 0.041 0.000 1.107 704 I CB 2.024 40.046 38.000 0.037 0.000 1.285 704 I HN 0.841 nan 8.210 nan 0.000 0.436 705 D N 3.312 123.743 120.400 0.052 0.000 2.356 705 D HA -0.013 4.625 4.640 -0.003 0.000 0.258 705 D C 0.628 176.946 176.300 0.031 0.000 1.279 705 D CA -0.015 53.979 54.000 -0.010 0.000 1.016 705 D CB 0.818 41.541 40.800 -0.130 0.000 1.107 705 D HN 0.522 nan 8.370 nan 0.000 0.544 706 E N -0.045 120.135 120.200 -0.034 0.000 3.362 706 E HA -0.140 4.208 4.350 -0.003 0.000 0.456 706 E C 1.119 177.693 176.600 -0.043 0.000 0.807 706 E CA 1.706 58.112 56.400 0.010 0.000 2.858 706 E CB -0.094 29.664 29.700 0.097 0.000 0.849 706 E HN 0.530 nan 8.360 nan 0.000 0.494 707 I N -2.305 118.154 120.570 -0.186 0.000 5.313 707 I HA -0.042 4.126 4.170 -0.003 0.000 0.336 707 I C 0.166 176.044 176.117 -0.399 0.000 1.148 707 I CA -0.214 60.644 61.300 -0.737 0.000 1.552 707 I CB -0.101 37.354 38.000 -0.908 0.000 1.816 707 I HN 0.288 nan 8.210 nan 0.000 0.605 708 Q N 2.766 122.473 119.800 -0.155 0.000 2.631 708 Q HA 0.090 4.428 4.340 -0.003 0.000 0.210 708 Q C 0.554 176.567 176.000 0.022 0.000 1.094 708 Q CA -0.173 55.597 55.803 -0.055 0.000 1.055 708 Q CB 1.137 29.866 28.738 -0.016 0.000 1.261 708 Q HN 0.133 nan 8.270 nan 0.000 0.615 709 K N -0.370 120.052 120.400 0.038 0.000 2.186 709 K HA 0.062 4.380 4.320 -0.003 0.000 0.202 709 K C -0.008 176.624 176.600 0.054 0.000 1.052 709 K CA 0.471 56.791 56.287 0.054 0.000 0.965 709 K CB 0.262 32.795 32.500 0.056 0.000 0.746 709 K HN 0.481 nan 8.250 nan 0.000 0.457 710 L N 1.291 122.544 121.223 0.050 0.000 2.333 710 L HA 0.276 4.615 4.340 -0.003 0.000 0.280 710 L C -0.676 176.236 176.870 0.070 0.000 1.004 710 L CA -1.151 53.720 54.840 0.052 0.000 0.820 710 L CB 1.483 43.556 42.059 0.023 0.000 1.247 710 L HN 0.101 nan 8.230 nan 0.000 0.416 711 H N 4.251 123.317 119.070 -0.007 0.000 2.489 711 H HA 0.594 5.148 4.556 -0.003 0.000 0.322 711 H C -1.007 174.307 175.328 -0.022 0.000 1.091 711 H CA -0.315 55.727 56.048 -0.011 0.000 1.291 711 H CB 0.943 30.709 29.762 0.005 0.000 1.436 711 H HN 0.444 nan 8.280 nan 0.000 0.480 712 I N 5.981 126.202 120.570 -0.582 0.000 2.411 712 I HA 0.298 4.466 4.170 -0.003 0.000 0.284 712 I C 0.058 175.867 176.117 -0.515 0.000 1.012 712 I CA -0.812 60.215 61.300 -0.456 0.000 1.119 712 I CB 1.294 39.156 38.000 -0.231 0.000 1.261 712 I HN 0.460 nan 8.210 nan 0.000 0.448 713 R N 3.585 123.814 120.500 -0.451 0.000 2.390 713 R HA 0.422 4.760 4.340 -0.003 0.000 0.291 713 R C -0.645 175.488 176.300 -0.278 0.000 1.070 713 R CA 0.004 55.919 56.100 -0.309 0.000 1.014 713 R CB 1.357 31.510 30.300 -0.245 0.000 1.007 713 R HN 0.520 nan 8.270 nan 0.000 0.466 714 T N 2.943 117.365 114.554 -0.220 0.000 2.797 714 T HA 0.310 4.658 4.350 -0.003 0.000 0.279 714 T C -0.617 173.960 174.700 -0.206 0.000 0.991 714 T CA -0.438 61.534 62.100 -0.212 0.000 0.979 714 T CB 1.552 70.320 68.868 -0.165 0.000 0.943 714 T HN 0.233 nan 8.240 nan 0.000 0.444 715 V N 6.862 126.633 119.914 -0.238 0.000 2.289 715 V HA 0.304 4.423 4.120 -0.003 0.000 0.272 715 V C -2.267 173.716 176.094 -0.185 0.000 1.026 715 V CA -2.101 60.086 62.300 -0.188 0.000 0.807 715 V CB 0.845 32.530 31.823 -0.230 0.000 1.044 715 V HN 0.679 nan 8.190 nan 0.000 0.443 716 P HA 0.166 nan 4.420 nan 0.000 0.266 716 P C 0.413 177.519 177.300 -0.324 0.000 1.195 716 P CA 0.321 63.195 63.100 -0.377 0.000 0.768 716 P CB 1.129 32.542 31.700 -0.478 0.000 0.838 717 L N 1.512 122.500 121.223 -0.392 0.000 2.717 717 L HA 0.171 4.510 4.340 -0.003 0.000 0.239 717 L C 0.308 177.150 176.870 -0.046 0.000 1.086 717 L CA -0.016 54.734 54.840 -0.150 0.000 0.897 717 L CB -0.247 41.746 42.059 -0.110 0.000 1.214 717 L HN 0.310 nan 8.230 nan 0.000 0.508 718 Y N 0.398 120.674 120.300 -0.039 0.000 4.668 718 Y HA -0.316 4.233 4.550 -0.003 0.000 0.234 718 Y C 0.581 176.469 175.900 -0.020 0.000 1.056 718 Y CA 0.846 58.931 58.100 -0.025 0.000 2.025 718 Y CB -2.312 36.134 38.460 -0.023 0.000 1.613 718 Y HN 0.517 nan 8.280 nan 0.000 0.653 719 E N -2.247 117.957 120.200 0.007 0.000 2.456 719 E HA 0.682 5.031 4.350 -0.003 0.000 0.278 719 E C -1.009 175.530 176.600 -0.102 0.000 1.034 719 E CA -1.087 55.303 56.400 -0.016 0.000 0.846 719 E CB 1.202 30.891 29.700 -0.019 0.000 1.460 719 E HN -0.118 nan 8.360 nan 0.000 0.463 720 S N 2.483 118.091 115.700 -0.155 0.000 2.422 720 S HA 0.303 4.771 4.470 -0.003 0.000 0.283 720 S C -2.210 172.273 174.600 -0.195 0.000 1.163 720 S CA -0.792 57.267 58.200 -0.234 0.000 1.054 720 S CB 0.283 63.294 63.200 -0.315 0.000 0.967 720 S HN 0.274 nan 8.310 nan 0.000 0.499 721 P HA 0.451 nan 4.420 nan 0.000 0.292 721 P C -0.087 177.146 177.300 -0.112 0.000 1.283 721 P CA -0.763 62.260 63.100 -0.128 0.000 0.835 721 P CB 1.374 33.006 31.700 -0.113 0.000 1.017 722 R N 1.255 121.708 120.500 -0.079 0.000 2.342 722 R HA 0.278 4.616 4.340 -0.003 0.000 0.204 722 R C 0.371 176.670 176.300 -0.002 0.000 0.882 722 R CA 0.344 56.419 56.100 -0.041 0.000 1.041 722 R CB 0.516 30.802 30.300 -0.024 0.000 1.188 722 R HN 0.440 nan 8.270 nan 0.000 0.598 723 K N 0.750 121.153 120.400 0.005 0.000 2.532 723 K HA 0.477 4.796 4.320 -0.003 0.000 0.265 723 K C -1.346 175.279 176.600 0.041 0.000 0.948 723 K CA -0.617 55.692 56.287 0.037 0.000 0.842 723 K CB 2.992 35.525 32.500 0.055 0.000 1.392 723 K HN -0.054 nan 8.250 nan 0.000 0.436 724 I N 0.600 121.216 120.570 0.077 0.000 2.644 724 I HA 0.410 4.579 4.170 -0.003 0.000 0.291 724 I C -1.614 174.625 176.117 0.204 0.000 1.180 724 I CA -0.469 60.901 61.300 0.116 0.000 1.040 724 I CB 1.452 39.489 38.000 0.061 0.000 1.255 724 I HN 0.601 nan 8.210 nan 0.000 0.422 725 C N 6.202 125.678 119.300 0.294 0.000 2.547 725 C HA 0.458 4.917 4.460 -0.003 0.000 0.313 725 C C -0.745 174.547 174.990 0.503 0.000 1.191 725 C CA -0.522 58.714 59.018 0.363 0.000 1.474 725 C CB 1.509 29.456 27.740 0.345 0.000 2.081 725 C HN 0.647 nan 8.230 nan 0.000 0.476 726 Y N 2.539 122.996 120.300 0.263 0.000 2.309 726 Y HA 0.443 4.991 4.550 -0.003 0.000 0.327 726 Y C 0.196 176.068 175.900 -0.048 0.000 1.172 726 Y CA -0.039 58.064 58.100 0.005 0.000 1.280 726 Y CB 0.659 39.096 38.460 -0.040 0.000 1.234 726 Y HN 0.718 nan 8.280 nan 0.000 0.512 727 Q N 5.534 124.948 119.800 -0.643 0.000 2.454 727 Q HA 0.181 4.520 4.340 -0.003 0.000 0.255 727 Q C 0.663 176.063 176.000 -1.001 0.000 1.034 727 Q CA -0.273 55.105 55.803 -0.708 0.000 0.736 727 Q CB 0.895 29.337 28.738 -0.493 0.000 1.210 727 Q HN 0.979 nan 8.270 nan 0.000 0.500 728 E N 1.937 121.487 120.200 -1.083 0.000 2.026 728 E HA -0.256 4.092 4.350 -0.003 0.000 0.206 728 E C 1.495 177.865 176.600 -0.384 0.000 1.028 728 E CA 2.501 58.454 56.400 -0.744 0.000 0.845 728 E CB -0.007 29.471 29.700 -0.370 0.000 0.772 728 E HN 0.624 nan 8.360 nan 0.000 0.462 729 V N -1.176 118.565 119.914 -0.289 0.000 2.794 729 V HA -0.148 3.971 4.120 -0.003 0.000 0.260 729 V C 1.951 177.953 176.094 -0.153 0.000 1.103 729 V CA 2.157 64.346 62.300 -0.186 0.000 1.125 729 V CB -0.209 31.508 31.823 -0.178 0.000 0.702 729 V HN 0.186 nan 8.190 nan 0.000 0.494 730 S N -1.203 114.389 115.700 -0.181 0.000 2.540 730 S HA 0.150 4.619 4.470 -0.003 0.000 0.218 730 S C 0.763 175.336 174.600 -0.044 0.000 0.977 730 S CA -0.004 58.161 58.200 -0.059 0.000 0.918 730 S CB -0.341 62.868 63.200 0.015 0.000 0.806 730 S HN 0.747 nan 8.310 nan 0.000 0.496 731 Q N 0.574 120.287 119.800 -0.146 0.000 2.451 731 Q HA -0.171 4.167 4.340 -0.003 0.000 0.305 731 Q C -0.030 175.892 176.000 -0.131 0.000 1.345 731 Q CA 1.067 56.804 55.803 -0.110 0.000 0.854 731 Q CB -2.875 25.855 28.738 -0.012 0.000 1.162 731 Q HN 0.788 nan 8.270 nan 0.000 0.440 732 C N -3.969 115.205 119.300 -0.210 0.000 3.266 732 C HA 0.837 5.295 4.460 -0.003 0.000 0.369 732 C C -0.991 173.837 174.990 -0.270 0.000 1.580 732 C CA -1.306 57.593 59.018 -0.198 0.000 1.165 732 C CB 1.463 29.163 27.740 -0.068 0.000 1.835 732 C HN 0.171 nan 8.230 nan 0.000 0.433 733 F N 0.632 120.644 119.950 0.103 0.000 2.546 733 F HA 0.689 5.214 4.527 -0.003 0.000 0.320 733 F C 0.850 176.640 175.800 -0.018 0.000 1.076 733 F CA 0.194 58.285 58.000 0.150 0.000 0.928 733 F CB 2.238 41.320 39.000 0.136 0.000 1.189 733 F HN 1.054 nan 8.300 nan 0.000 0.465 734 G N 1.361 110.224 108.800 0.104 0.000 2.343 734 G HA2 0.583 4.541 3.960 -0.003 0.000 0.319 734 G HA3 0.583 4.541 3.960 -0.003 0.000 0.319 734 G C -1.656 173.206 174.900 -0.063 0.000 1.126 734 G CA -0.559 44.337 45.100 -0.340 0.000 0.889 734 G HN 0.481 nan 8.290 nan 0.000 0.457 735 V N 3.600 123.464 119.914 -0.084 0.000 2.531 735 V HA 0.349 4.468 4.120 -0.003 0.000 0.301 735 V C 0.015 176.087 176.094 -0.035 0.000 1.034 735 V CA -0.696 61.587 62.300 -0.029 0.000 0.865 735 V CB 1.786 33.596 31.823 -0.023 0.000 0.995 735 V HN 0.634 nan 8.190 nan 0.000 0.424 736 L N 4.963 126.182 121.223 -0.007 0.000 2.319 736 L HA 0.593 4.931 4.340 -0.003 0.000 0.280 736 L C 0.502 177.354 176.870 -0.031 0.000 1.099 736 L CA 0.306 55.157 54.840 0.017 0.000 0.828 736 L CB 1.342 43.420 42.059 0.031 0.000 1.150 736 L HN 0.878 nan 8.230 nan 0.000 0.442 737 S N 1.686 117.353 115.700 -0.055 0.000 2.704 737 S HA 0.835 5.303 4.470 -0.003 0.000 0.296 737 S C -0.578 173.849 174.600 -0.287 0.000 1.138 737 S CA -0.669 57.444 58.200 -0.147 0.000 0.875 737 S CB 2.223 65.354 63.200 -0.116 0.000 1.151 737 S HN 0.574 nan 8.310 nan 0.000 0.500 738 S N 0.000 115.462 115.700 -0.397 0.000 2.546 738 S HA 0.829 5.297 4.470 -0.003 0.000 0.274 738 S C -0.910 173.521 174.600 -0.282 0.000 1.121 738 S CA -1.000 56.841 58.200 -0.598 0.000 0.887 738 S CB 1.622 64.125 63.200 -1.161 0.000 1.094 738 S HN 1.239 nan 8.310 nan 0.000 0.474 739 R N 1.430 121.819 120.500 -0.184 0.000 2.808 739 R HA 0.743 5.082 4.340 -0.003 0.000 0.272 739 R C -1.500 174.787 176.300 -0.021 0.000 0.995 739 R CA -1.065 54.998 56.100 -0.062 0.000 0.917 739 R CB 1.130 31.411 30.300 -0.031 0.000 1.217 739 R HN 0.617 nan 8.270 nan 0.000 0.471 740 I N 1.754 122.342 120.570 0.030 0.000 2.339 740 I HA 0.273 4.441 4.170 -0.003 0.000 0.290 740 I C -0.058 176.079 176.117 0.033 0.000 0.994 740 I CA -0.455 60.871 61.300 0.044 0.000 1.191 740 I CB 1.722 39.763 38.000 0.067 0.000 1.343 740 I HN 0.606 nan 8.210 nan 0.000 0.458 741 E N 5.235 125.457 120.200 0.036 0.000 2.264 741 E HA 0.674 5.022 4.350 -0.003 0.000 0.260 741 E C -1.148 175.472 176.600 0.034 0.000 0.961 741 E CA -0.878 55.540 56.400 0.031 0.000 0.834 741 E CB 2.792 32.511 29.700 0.031 0.000 1.230 741 E HN 0.365 nan 8.360 nan 0.000 0.412 742 V N -1.878 118.052 119.914 0.027 0.000 3.001 742 V HA 0.337 4.455 4.120 -0.003 0.000 0.314 742 V C -0.209 175.902 176.094 0.028 0.000 1.099 742 V CA -1.187 61.129 62.300 0.027 0.000 0.989 742 V CB 1.608 33.442 31.823 0.018 0.000 1.040 742 V HN 0.701 nan 8.190 nan 0.000 0.434 743 Q N 1.669 121.486 119.800 0.029 0.000 2.264 743 Q HA 0.006 4.345 4.340 -0.003 0.000 0.296 743 Q C -0.404 175.609 176.000 0.021 0.000 1.103 743 Q CA 0.284 56.103 55.803 0.027 0.000 0.967 743 Q CB 0.368 29.121 28.738 0.026 0.000 1.090 743 Q HN 0.906 nan 8.270 nan 0.000 0.379 744 D N 2.043 122.455 120.400 0.020 0.000 2.383 744 D HA 0.034 4.673 4.640 -0.003 0.000 0.248 744 D C 1.023 177.331 176.300 0.014 0.000 1.170 744 D CA 0.310 54.319 54.000 0.016 0.000 0.977 744 D CB 1.376 42.186 40.800 0.016 0.000 1.120 744 D HN 0.677 nan 8.370 nan 0.000 0.481 745 T N -1.968 112.593 114.554 0.011 0.000 2.951 745 T HA -0.139 4.209 4.350 -0.003 0.000 0.268 745 T C 1.776 176.482 174.700 0.010 0.000 1.073 745 T CA 1.240 63.346 62.100 0.009 0.000 1.134 745 T CB -0.236 68.636 68.868 0.007 0.000 0.884 745 T HN 0.221 nan 8.240 nan 0.000 0.479 746 S N 0.315 116.021 115.700 0.011 0.000 2.603 746 S HA 0.306 4.774 4.470 -0.003 0.000 0.229 746 S C 1.899 176.508 174.600 0.015 0.000 0.972 746 S CA 1.063 59.270 58.200 0.012 0.000 0.935 746 S CB -1.148 62.059 63.200 0.012 0.000 0.769 746 S HN 1.107 nan 8.310 nan 0.000 0.536 747 G N 0.094 108.904 108.800 0.016 0.000 2.812 747 G HA2 -0.247 3.712 3.960 -0.003 0.000 0.219 747 G HA3 -0.247 3.712 3.960 -0.003 0.000 0.219 747 G C 0.869 175.784 174.900 0.025 0.000 1.275 747 G CA 0.069 45.180 45.100 0.020 0.000 0.769 747 G HN 1.056 nan 8.290 nan 0.000 0.527 748 G N 0.363 109.178 108.800 0.026 0.000 2.335 748 G HA2 0.484 4.442 3.960 -0.003 0.000 0.285 748 G HA3 0.484 4.442 3.960 -0.003 0.000 0.285 748 G C 0.658 175.577 174.900 0.031 0.000 1.448 748 G CA 1.966 47.084 45.100 0.031 0.000 1.070 748 G HN 1.736 nan 8.290 nan 0.000 0.564 749 T N -3.815 110.759 114.554 0.032 0.000 2.918 749 T HA 0.691 5.040 4.350 -0.003 0.000 0.286 749 T C 0.076 174.788 174.700 0.021 0.000 1.026 749 T CA -0.428 61.690 62.100 0.030 0.000 1.031 749 T CB 1.957 70.848 68.868 0.038 0.000 1.046 749 T HN 0.435 nan 8.240 nan 0.000 0.479 750 T N 0.655 115.220 114.554 0.017 0.000 2.664 750 T HA 0.780 5.129 4.350 -0.003 0.000 0.232 750 T C -0.446 174.258 174.700 0.007 0.000 0.958 750 T CA -0.516 61.590 62.100 0.010 0.000 1.095 750 T CB 0.453 69.325 68.868 0.008 0.000 1.938 750 T HN 1.075 nan 8.240 nan 0.000 0.536 751 A N 1.524 124.345 122.820 0.001 0.000 2.499 751 A HA 0.541 4.860 4.320 -0.003 0.000 0.280 751 A C 0.124 177.705 177.584 -0.005 0.000 1.135 751 A CA -0.629 51.407 52.037 -0.003 0.000 0.744 751 A CB 0.189 19.183 19.000 -0.010 0.000 1.213 751 A HN 0.636 nan 8.150 nan 0.000 0.434 752 L N 0.407 121.630 121.223 -0.000 0.000 2.693 752 L HA 0.584 4.923 4.340 -0.003 0.000 0.242 752 L C 0.429 177.295 176.870 -0.007 0.000 1.157 752 L CA 0.427 55.266 54.840 -0.002 0.000 0.929 752 L CB -1.267 40.794 42.059 0.004 0.000 1.103 752 L HN 0.818 nan 8.230 nan 0.000 0.430 753 R N -0.894 119.596 120.500 -0.016 0.000 4.813 753 R HA 0.092 4.431 4.340 -0.003 0.000 0.232 753 R C -3.001 173.274 176.300 -0.042 0.000 0.916 753 R CA -0.384 55.696 56.100 -0.035 0.000 1.022 753 R CB -0.340 29.942 30.300 -0.030 0.000 1.367 753 R HN 0.058 nan 8.270 nan 0.000 0.581 754 P HA 0.280 nan 4.420 nan 0.000 0.279 754 P C -1.057 176.192 177.300 -0.085 0.000 1.239 754 P CA -0.197 62.852 63.100 -0.086 0.000 0.789 754 P CB 1.589 33.214 31.700 -0.125 0.000 0.933 755 S N 0.223 115.912 115.700 -0.018 0.000 2.819 755 S HA 0.652 5.121 4.470 -0.003 0.000 0.299 755 S C 1.113 175.754 174.600 0.068 0.000 1.192 755 S CA -0.195 58.055 58.200 0.083 0.000 0.847 755 S CB 0.731 63.994 63.200 0.105 0.000 1.224 755 S HN 0.338 nan 8.310 nan 0.000 0.537 756 A N 1.531 124.408 122.820 0.096 0.000 1.883 756 A HA -0.051 4.267 4.320 -0.003 0.000 0.217 756 A C 2.277 179.860 177.584 -0.002 0.000 1.186 756 A CA 2.509 54.574 52.037 0.048 0.000 0.624 756 A CB -1.633 17.386 19.000 0.032 0.000 0.822 756 A HN 1.494 nan 8.150 nan 0.000 0.444 757 S N -0.666 115.024 115.700 -0.017 0.000 2.481 757 S HA -0.092 4.376 4.470 -0.003 0.000 0.231 757 S C 1.600 176.170 174.600 -0.051 0.000 0.996 757 S CA 1.652 59.825 58.200 -0.046 0.000 0.942 757 S CB -0.888 62.283 63.200 -0.047 0.000 0.768 757 S HN 0.783 nan 8.310 nan 0.000 0.520 758 T N -2.065 112.469 114.554 -0.034 0.000 3.044 758 T HA 0.266 4.614 4.350 -0.003 0.000 0.250 758 T C 1.294 175.971 174.700 -0.039 0.000 1.081 758 T CA -0.134 61.943 62.100 -0.038 0.000 1.040 758 T CB -0.086 68.763 68.868 -0.031 0.000 0.962 758 T HN 0.400 nan 8.240 nan 0.000 0.506 759 Q N 0.623 120.405 119.800 -0.032 0.000 2.135 759 Q HA 0.529 4.867 4.340 -0.003 0.000 0.222 759 Q C 0.326 176.314 176.000 -0.019 0.000 0.808 759 Q CA -0.430 55.357 55.803 -0.027 0.000 1.049 759 Q CB 1.150 29.872 28.738 -0.028 0.000 1.168 759 Q HN 0.634 nan 8.270 nan 0.000 0.483 760 A N 0.534 123.334 122.820 -0.034 0.000 2.448 760 A HA 0.109 4.427 4.320 -0.003 0.000 0.239 760 A C 1.182 178.755 177.584 -0.019 0.000 1.080 760 A CA -0.084 51.933 52.037 -0.034 0.000 0.779 760 A CB 0.300 19.248 19.000 -0.087 0.000 1.026 760 A HN 0.437 nan 8.150 nan 0.000 0.499 761 L N 0.777 122.006 121.223 0.010 0.000 2.191 761 L HA -0.057 4.281 4.340 -0.003 0.000 0.212 761 L C 0.976 177.869 176.870 0.039 0.000 1.103 761 L CA 1.446 56.306 54.840 0.033 0.000 0.769 761 L CB -0.681 41.413 42.059 0.059 0.000 0.908 761 L HN 0.862 nan 8.230 nan 0.000 0.438 762 S N -2.191 113.525 115.700 0.027 0.000 2.615 762 S HA 0.745 5.213 4.470 -0.003 0.000 0.269 762 S C -0.649 173.812 174.600 -0.231 0.000 1.161 762 S CA -0.659 57.561 58.200 0.034 0.000 0.817 762 S CB 2.277 65.609 63.200 0.219 0.000 1.131 762 S HN 0.091 nan 8.310 nan 0.000 0.467 763 S N 0.009 115.576 115.700 -0.223 0.000 2.688 763 S HA 0.975 5.444 4.470 -0.003 0.000 0.275 763 S C -1.095 173.474 174.600 -0.052 0.000 1.175 763 S CA -0.463 57.478 58.200 -0.432 0.000 0.818 763 S CB 1.130 64.192 63.200 -0.231 0.000 1.157 763 S HN 2.178 nan 8.310 nan 0.000 0.482 764 S N -0.995 114.680 115.700 -0.042 0.000 2.608 764 S HA 0.645 5.113 4.470 -0.003 0.000 0.285 764 S C -0.982 173.567 174.600 -0.086 0.000 1.108 764 S CA -0.669 57.599 58.200 0.113 0.000 0.858 764 S CB 0.357 63.798 63.200 0.402 0.000 1.077 764 S HN 1.702 nan 8.310 nan 0.000 0.450 765 V N -0.558 119.303 119.914 -0.090 0.000 3.166 765 V HA 0.853 4.972 4.120 -0.003 0.000 0.317 765 V C 0.465 176.465 176.094 -0.156 0.000 1.136 765 V CA -1.034 61.125 62.300 -0.236 0.000 1.035 765 V CB 1.524 33.285 31.823 -0.103 0.000 1.110 765 V HN 0.960 nan 8.190 nan 0.000 0.450 766 S N 0.580 116.194 115.700 -0.143 0.000 2.489 766 S HA 0.313 4.781 4.470 -0.003 0.000 0.277 766 S C 1.097 175.754 174.600 0.096 0.000 1.230 766 S CA 0.120 58.374 58.200 0.091 0.000 1.053 766 S CB 0.850 64.143 63.200 0.155 0.000 0.955 766 S HN 1.137 nan 8.310 nan 0.000 0.488 767 S N 2.784 118.554 115.700 0.117 0.000 2.556 767 S HA 0.091 4.559 4.470 -0.003 0.000 0.216 767 S C 0.859 175.502 174.600 0.072 0.000 0.970 767 S CA -0.184 58.065 58.200 0.082 0.000 0.912 767 S CB -0.086 63.157 63.200 0.072 0.000 0.790 767 S HN 0.665 nan 8.310 nan 0.000 0.504 768 S N 1.882 117.632 115.700 0.083 0.000 2.573 768 S HA 0.049 4.517 4.470 -0.003 0.000 0.297 768 S C 0.602 175.222 174.600 0.034 0.000 1.280 768 S CA -0.129 58.100 58.200 0.047 0.000 1.061 768 S CB 0.268 63.502 63.200 0.057 0.000 0.812 768 S HN 0.314 nan 8.310 nan 0.000 0.500 769 K N 4.437 124.831 120.400 -0.010 0.000 2.440 769 K HA 0.263 4.581 4.320 -0.003 0.000 0.206 769 K C 1.348 177.894 176.600 -0.090 0.000 1.025 769 K CA -0.075 56.203 56.287 -0.014 0.000 1.135 769 K CB -0.285 32.212 32.500 -0.006 0.000 0.856 769 K HN 0.653 nan 8.250 nan 0.000 0.502 770 L N 0.021 121.113 121.223 -0.219 0.000 2.263 770 L HA -0.101 4.238 4.340 -0.003 0.000 0.216 770 L C 0.061 176.501 176.870 -0.717 0.000 1.111 770 L CA 1.423 55.937 54.840 -0.543 0.000 0.773 770 L CB -0.136 41.412 42.059 -0.852 0.000 0.906 770 L HN 0.040 nan 8.230 nan 0.000 0.439 771 F N -2.201 117.776 119.950 0.045 0.000 2.532 771 F HA 0.350 4.875 4.527 -0.003 0.000 0.321 771 F C 0.334 176.159 175.800 0.043 0.000 1.089 771 F CA -0.606 57.422 58.000 0.047 0.000 0.926 771 F CB 1.874 40.912 39.000 0.064 0.000 1.168 771 F HN -0.440 nan 8.300 nan 0.000 0.459 772 S N 1.344 117.176 115.700 0.221 0.000 2.787 772 S HA 0.367 4.836 4.470 -0.003 0.000 0.140 772 S C -1.033 173.626 174.600 0.099 0.000 1.240 772 S CA -0.640 57.636 58.200 0.127 0.000 1.163 772 S CB 0.533 63.779 63.200 0.077 0.000 1.652 772 S HN 0.687 nan 8.310 nan 0.000 0.443 784 E N -0.230 119.985 120.200 0.024 0.000 2.412 784 E HA 0.514 4.863 4.350 -0.003 0.000 0.279 784 E C -1.549 175.074 176.600 0.039 0.000 0.984 784 E CA -0.623 55.797 56.400 0.033 0.000 0.788 784 E CB 2.503 32.226 29.700 0.039 0.000 1.277 784 E HN 0.122 nan 8.360 nan 0.000 0.455 785 E N 0.798 121.027 120.200 0.048 0.000 2.212 785 E HA 0.581 4.930 4.350 -0.003 0.000 0.268 785 E C -1.493 175.157 176.600 0.083 0.000 0.902 785 E CA -0.779 55.654 56.400 0.055 0.000 0.779 785 E CB 2.291 32.018 29.700 0.045 0.000 1.172 785 E HN 0.059 nan 8.360 nan 0.000 0.409 786 V N 3.236 123.203 119.914 0.087 0.000 2.623 786 V HA 0.167 4.286 4.120 -0.003 0.000 0.304 786 V C -0.507 175.653 176.094 0.110 0.000 1.054 786 V CA -0.786 61.585 62.300 0.119 0.000 0.882 786 V CB 1.977 33.867 31.823 0.112 0.000 1.002 786 V HN 0.668 nan 8.190 nan 0.000 0.424 787 E N 2.531 122.812 120.200 0.134 0.000 2.366 787 E HA 0.503 4.852 4.350 -0.003 0.000 0.266 787 E C -1.112 175.552 176.600 0.106 0.000 1.051 787 E CA -0.254 56.171 56.400 0.042 0.000 0.884 787 E CB 1.874 31.485 29.700 -0.149 0.000 1.006 787 E HN 0.394 nan 8.360 nan 0.000 0.417 788 V N 3.632 123.586 119.914 0.066 0.000 2.524 788 V HA 0.174 4.293 4.120 -0.003 0.000 0.297 788 V C -0.642 175.494 176.094 0.070 0.000 1.035 788 V CA -0.676 61.692 62.300 0.113 0.000 0.867 788 V CB 1.419 33.276 31.823 0.056 0.000 1.004 788 V HN 0.650 nan 8.190 nan 0.000 0.426 789 H N 4.040 123.123 119.070 0.022 0.000 2.499 789 H HA 0.589 5.143 4.556 -0.003 0.000 0.340 789 H C -0.793 174.691 175.328 0.260 0.000 1.148 789 H CA -0.667 55.419 56.048 0.063 0.000 1.215 789 H CB 2.328 32.086 29.762 -0.006 0.000 1.529 789 H HN 0.592 nan 8.280 nan 0.000 0.510 790 N N 1.264 120.152 118.700 0.312 0.000 2.525 790 N HA 0.156 4.895 4.740 -0.003 0.000 0.270 790 N C -1.511 174.201 175.510 0.336 0.000 1.321 790 N CA -0.763 52.445 53.050 0.263 0.000 0.797 790 N CB 3.032 41.540 38.487 0.035 0.000 1.529 790 N HN 0.244 nan 8.380 nan 0.000 0.491 791 L N 1.891 123.235 121.223 0.203 0.000 2.294 791 L HA 0.504 4.843 4.340 -0.003 0.000 0.283 791 L C -1.177 175.645 176.870 -0.080 0.000 1.015 791 L CA -0.351 54.532 54.840 0.073 0.000 0.831 791 L CB 0.404 42.447 42.059 -0.028 0.000 1.217 791 L HN 0.376 nan 8.230 nan 0.000 0.420 792 L N 5.642 126.814 121.223 -0.085 0.000 2.326 792 L HA 0.457 4.795 4.340 -0.003 0.000 0.278 792 L C -0.473 176.302 176.870 -0.158 0.000 1.092 792 L CA -0.605 54.176 54.840 -0.098 0.000 0.810 792 L CB 1.296 43.320 42.059 -0.058 0.000 1.153 792 L HN 0.460 nan 8.230 nan 0.000 0.439 793 I N 4.759 125.235 120.570 -0.158 0.000 2.382 793 I HA 0.448 4.616 4.170 -0.003 0.000 0.286 793 I C -0.024 176.014 176.117 -0.131 0.000 1.002 793 I CA -0.392 60.758 61.300 -0.251 0.000 1.135 793 I CB 1.560 39.257 38.000 -0.505 0.000 1.288 793 I HN 0.446 nan 8.210 nan 0.000 0.448 794 I N 4.660 125.206 120.570 -0.040 0.000 2.466 794 I HA 0.229 4.397 4.170 -0.003 0.000 0.289 794 I C 0.191 176.334 176.117 0.043 0.000 1.026 794 I CA -0.742 60.592 61.300 0.056 0.000 1.078 794 I CB 2.376 40.468 38.000 0.153 0.000 1.249 794 I HN 0.479 nan 8.210 nan 0.000 0.429 795 D N 5.937 126.326 120.400 -0.019 0.000 2.417 795 D HA -0.017 4.621 4.640 -0.003 0.000 0.250 795 D C 1.038 177.145 176.300 -0.321 0.000 1.166 795 D CA 0.079 54.029 54.000 -0.083 0.000 0.881 795 D CB 1.314 42.108 40.800 -0.009 0.000 1.164 795 D HN 0.670 nan 8.370 nan 0.000 0.467 796 Q N 3.205 122.802 119.800 -0.339 0.000 2.364 796 Q HA -0.163 4.175 4.340 -0.003 0.000 0.207 796 Q C 0.941 176.505 176.000 -0.727 0.000 0.970 796 Q CA 1.160 56.638 55.803 -0.541 0.000 0.888 796 Q CB 0.078 28.556 28.738 -0.433 0.000 0.951 796 Q HN 0.564 nan 8.270 nan 0.000 0.469 797 H N 0.924 119.839 119.070 -0.257 0.000 2.316 797 H HA 0.044 4.598 4.556 -0.003 0.000 0.314 797 H C 2.143 177.472 175.328 0.001 0.000 1.057 797 H CA 1.976 57.981 56.048 -0.072 0.000 1.402 797 H CB -0.262 29.502 29.762 0.004 0.000 1.443 797 H HN 0.522 nan 8.280 nan 0.000 0.559 798 T N -1.577 113.055 114.554 0.130 0.000 3.100 798 T HA -0.000 4.348 4.350 -0.003 0.000 0.253 798 T C 0.560 175.401 174.700 0.236 0.000 1.118 798 T CA -0.181 62.021 62.100 0.171 0.000 1.058 798 T CB -0.754 68.190 68.868 0.127 0.000 0.953 798 T HN 0.219 nan 8.240 nan 0.000 0.515 799 F N 2.239 122.260 119.950 0.117 0.000 3.079 799 F HA -0.222 4.303 4.527 -0.003 0.000 0.274 799 F C 0.592 176.429 175.800 0.061 0.000 0.940 799 F CA 0.740 58.790 58.000 0.083 0.000 0.932 799 F CB -1.928 37.096 39.000 0.041 0.000 0.891 799 F HN 0.558 nan 8.300 nan 0.000 0.722 800 E N -1.445 118.845 120.200 0.150 0.000 2.283 800 E HA 0.558 4.906 4.350 -0.003 0.000 0.267 800 E C -0.266 176.386 176.600 0.087 0.000 1.045 800 E CA -1.025 55.444 56.400 0.116 0.000 0.884 800 E CB 1.939 31.695 29.700 0.093 0.000 1.106 800 E HN 0.032 nan 8.360 nan 0.000 0.408 801 V N 4.186 124.141 119.914 0.069 0.000 2.223 801 V HA -0.017 4.101 4.120 -0.003 0.000 0.249 801 V C 1.353 177.468 176.094 0.036 0.000 1.233 801 V CA 0.075 62.400 62.300 0.041 0.000 1.131 801 V CB -0.925 30.915 31.823 0.027 0.000 1.298 801 V HN 0.727 nan 8.190 nan 0.000 0.498 802 L N 2.033 123.281 121.223 0.042 0.000 1.978 802 L HA -0.133 4.205 4.340 -0.003 0.000 0.218 802 L C 1.097 178.047 176.870 0.132 0.000 1.075 802 L CA 1.823 56.715 54.840 0.086 0.000 0.767 802 L CB -0.339 41.774 42.059 0.089 0.000 0.890 802 L HN 0.687 nan 8.230 nan 0.000 0.434 803 H N -1.874 117.177 119.070 -0.032 0.000 2.961 803 H HA 0.661 5.215 4.556 -0.003 0.000 0.371 803 H C -1.425 173.869 175.328 -0.057 0.000 1.190 803 H CA -0.370 55.671 56.048 -0.011 0.000 1.138 803 H CB 1.760 31.549 29.762 0.045 0.000 1.816 803 H HN 0.062 nan 8.280 nan 0.000 0.551 804 A N 3.130 125.605 122.820 -0.574 0.000 2.359 804 A HA 0.419 4.738 4.320 -0.003 0.000 0.303 804 A C -1.709 175.656 177.584 -0.364 0.000 1.066 804 A CA -0.579 51.262 52.037 -0.327 0.000 0.730 804 A CB 0.550 19.424 19.000 -0.211 0.000 1.211 804 A HN 0.851 nan 8.150 nan 0.000 0.439 805 H N 1.494 120.412 119.070 -0.254 0.000 2.476 805 H HA 0.548 5.102 4.556 -0.002 0.000 0.328 805 H C -0.166 174.962 175.328 -0.333 0.000 1.073 805 H CA -0.080 55.816 56.048 -0.253 0.000 1.229 805 H CB 1.062 30.626 29.762 -0.330 0.000 1.432 805 H HN 0.721 nan 8.280 nan 0.000 0.477 806 Q N 4.849 124.222 119.800 -0.711 0.000 2.257 806 Q HA 0.261 4.600 4.340 -0.003 0.000 0.255 806 Q C -0.872 174.777 176.000 -0.585 0.000 0.920 806 Q CA -0.749 54.788 55.803 -0.443 0.000 0.927 806 Q CB 0.763 29.366 28.738 -0.225 0.000 1.229 806 Q HN 0.554 nan 8.270 nan 0.000 0.433 807 F N 1.673 121.605 119.950 -0.030 0.000 2.352 807 F HA 0.242 4.767 4.527 -0.003 0.000 0.304 807 F C 0.577 176.416 175.800 0.065 0.000 1.215 807 F CA -0.561 57.494 58.000 0.092 0.000 1.121 807 F CB 0.358 39.461 39.000 0.172 0.000 1.329 807 F HN 0.412 nan 8.300 nan 0.000 0.528 808 L N 0.327 121.735 121.223 0.308 0.000 2.476 808 L HA 0.091 4.430 4.340 -0.003 0.000 0.264 808 L C 0.235 177.205 176.870 0.166 0.000 1.224 808 L CA -0.460 54.501 54.840 0.201 0.000 0.821 808 L CB -0.002 42.197 42.059 0.233 0.000 1.101 808 L HN 0.467 nan 8.230 nan 0.000 0.488 809 Q N 2.426 122.305 119.800 0.132 0.000 2.320 809 Q HA -0.098 4.241 4.340 -0.003 0.000 0.311 809 Q C 0.164 176.219 176.000 0.091 0.000 1.083 809 Q CA 0.451 56.325 55.803 0.118 0.000 1.001 809 Q CB -0.031 28.777 28.738 0.116 0.000 1.074 809 Q HN 0.577 nan 8.270 nan 0.000 0.379 810 N N 0.851 119.601 118.700 0.084 0.000 2.965 810 N HA -0.197 4.541 4.740 -0.003 0.000 0.232 810 N C -0.469 174.974 175.510 -0.111 0.000 0.913 810 N CA 1.011 54.040 53.050 -0.035 0.000 0.981 810 N CB -0.532 37.820 38.487 -0.226 0.000 1.077 810 N HN 0.673 nan 8.380 nan 0.000 0.589 811 E N 0.432 120.632 120.200 0.001 0.000 2.257 811 E HA 0.154 4.502 4.350 -0.003 0.000 0.278 811 E C -0.774 175.822 176.600 -0.006 0.000 1.049 811 E CA -0.060 56.325 56.400 -0.025 0.000 0.876 811 E CB 0.372 30.126 29.700 0.090 0.000 1.035 811 E HN 0.144 nan 8.360 nan 0.000 0.419 812 Y N 2.109 122.089 120.300 -0.533 0.000 2.328 812 Y HA 0.411 4.960 4.550 -0.003 0.000 0.337 812 Y C 0.466 175.995 175.900 -0.618 0.000 1.008 812 Y CA -1.521 55.993 58.100 -0.977 0.000 1.129 812 Y CB 1.592 39.618 38.460 -0.723 0.000 1.185 812 Y HN 0.550 nan 8.280 nan 0.000 0.476 813 A N 4.782 127.351 122.820 -0.418 0.000 2.409 813 A HA 0.371 4.690 4.320 -0.003 0.000 0.267 813 A C 0.281 177.807 177.584 -0.096 0.000 1.127 813 A CA -0.263 51.575 52.037 -0.331 0.000 0.795 813 A CB 0.246 18.978 19.000 -0.447 0.000 1.061 813 A HN 1.025 nan 8.150 nan 0.000 0.502 814 L N 2.021 123.193 121.223 -0.085 0.000 2.577 814 L HA 0.168 4.507 4.340 -0.003 0.000 0.225 814 L C 0.961 177.850 176.870 0.030 0.000 1.053 814 L CA 0.649 55.492 54.840 0.005 0.000 0.866 814 L CB -0.067 41.993 42.059 0.002 0.000 1.132 814 L HN 0.767 nan 8.230 nan 0.000 0.486 815 S N 0.030 115.733 115.700 0.005 0.000 2.599 815 S HA 0.784 5.253 4.470 -0.003 0.000 0.287 815 S C -1.058 173.571 174.600 0.048 0.000 1.105 815 S CA -0.685 57.540 58.200 0.041 0.000 0.899 815 S CB 2.914 66.140 63.200 0.043 0.000 1.100 815 S HN 0.048 nan 8.310 nan 0.000 0.482 816 L N 0.941 122.214 121.223 0.082 0.000 2.505 816 L HA 0.925 5.263 4.340 -0.003 0.000 0.259 816 L C -1.693 175.264 176.870 0.144 0.000 0.952 816 L CA -0.471 54.441 54.840 0.119 0.000 0.840 816 L CB 1.932 44.061 42.059 0.117 0.000 1.358 816 L HN 0.875 nan 8.230 nan 0.000 0.409 817 V N 2.410 122.432 119.914 0.181 0.000 3.087 817 V HA 0.795 4.913 4.120 -0.003 0.000 0.306 817 V C -1.344 174.866 176.094 0.194 0.000 1.187 817 V CA -0.020 62.377 62.300 0.161 0.000 0.999 817 V CB 2.659 34.540 31.823 0.096 0.000 1.049 817 V HN 0.953 nan 8.190 nan 0.000 0.431 818 S N 4.648 120.414 115.700 0.109 0.000 2.596 818 S HA 0.824 5.292 4.470 -0.003 0.000 0.318 818 S C -0.759 173.780 174.600 -0.101 0.000 1.097 818 S CA 0.023 58.182 58.200 -0.068 0.000 1.080 818 S CB 0.393 63.482 63.200 -0.185 0.000 0.991 818 S HN 1.750 nan 8.310 nan 0.000 0.471 819 C N 2.911 122.133 119.300 -0.130 0.000 3.312 819 C HA 0.632 5.090 4.460 -0.003 0.000 0.332 819 C C -0.941 173.971 174.990 -0.131 0.000 1.340 819 C CA -1.239 57.714 59.018 -0.109 0.000 1.265 819 C CB 0.375 28.085 27.740 -0.050 0.000 1.563 819 C HN 0.837 nan 8.230 nan 0.000 0.471 820 K N 0.737 121.068 120.400 -0.115 0.000 2.202 820 K HA 0.694 5.013 4.320 -0.003 0.000 0.264 820 K C -0.953 175.626 176.600 -0.035 0.000 1.010 820 K CA -0.120 56.116 56.287 -0.085 0.000 0.940 820 K CB 0.723 33.179 32.500 -0.073 0.000 0.983 820 K HN 0.585 nan 8.250 nan 0.000 0.475 821 L N 1.612 122.834 121.223 -0.001 0.000 2.385 821 L HA 0.298 4.637 4.340 -0.003 0.000 0.273 821 L C 0.762 177.749 176.870 0.195 0.000 0.990 821 L CA -0.218 54.631 54.840 0.015 0.000 0.821 821 L CB 1.760 43.678 42.059 -0.235 0.000 1.279 821 L HN 1.028 nan 8.230 nan 0.000 0.412 822 G N 3.106 112.009 108.800 0.172 0.000 2.629 822 G HA2 -0.386 3.573 3.960 -0.003 0.000 0.313 822 G HA3 -0.386 3.573 3.960 -0.003 0.000 0.313 822 G C 0.621 175.612 174.900 0.152 0.000 1.217 822 G CA 0.800 46.012 45.100 0.187 0.000 0.994 822 G HN 0.677 nan 8.290 nan 0.000 0.549 823 K N 0.808 121.309 120.400 0.169 0.000 2.356 823 K HA 0.183 4.501 4.320 -0.003 0.000 0.195 823 K C 0.691 177.372 176.600 0.135 0.000 1.037 823 K CA 0.337 56.694 56.287 0.117 0.000 1.014 823 K CB 0.181 32.729 32.500 0.080 0.000 0.815 823 K HN 0.430 nan 8.250 nan 0.000 0.507 824 D N 1.328 121.867 120.400 0.232 0.000 2.425 824 D HA 0.002 4.641 4.640 -0.003 0.000 0.247 824 D C -1.841 174.538 176.300 0.133 0.000 1.147 824 D CA -1.685 52.468 54.000 0.254 0.000 0.879 824 D CB 1.382 42.508 40.800 0.542 0.000 1.179 824 D HN -0.083 nan 8.370 nan 0.000 0.456 825 P HA 0.003 nan 4.420 nan 0.000 0.227 825 P C -0.282 176.963 177.300 -0.092 0.000 1.161 825 P CA 0.107 63.201 63.100 -0.011 0.000 0.788 825 P CB 0.268 31.961 31.700 -0.011 0.000 0.822 826 N N -0.065 118.555 118.700 -0.133 0.000 2.416 826 N HA 0.079 4.817 4.740 -0.003 0.000 0.246 826 N C -0.057 175.096 175.510 -0.594 0.000 1.260 826 N CA 0.771 53.588 53.050 -0.389 0.000 0.897 826 N CB -0.338 37.828 38.487 -0.534 0.000 1.110 826 N HN -0.091 nan 8.380 nan 0.000 0.439 827 T N 1.915 116.098 114.554 -0.618 0.000 2.756 827 T HA 0.391 4.739 4.350 -0.003 0.000 0.290 827 T C -0.582 173.723 174.700 -0.660 0.000 0.985 827 T CA -0.279 61.504 62.100 -0.529 0.000 0.955 827 T CB -0.104 68.531 68.868 -0.388 0.000 0.930 827 T HN 0.220 nan 8.240 nan 0.000 0.451 828 Y N 1.122 121.282 120.300 -0.232 0.000 2.487 828 Y HA 0.623 5.171 4.550 -0.003 0.000 0.337 828 Y C -0.296 175.505 175.900 -0.165 0.000 1.076 828 Y CA -1.549 56.450 58.100 -0.168 0.000 1.115 828 Y CB 1.273 39.586 38.460 -0.244 0.000 1.235 828 Y HN 0.493 nan 8.280 nan 0.000 0.468 829 F N 2.734 122.790 119.950 0.176 0.000 2.388 829 F HA 0.495 5.021 4.527 -0.002 0.000 0.358 829 F C -0.523 175.400 175.800 0.205 0.000 1.122 829 F CA -1.106 56.983 58.000 0.147 0.000 1.056 829 F CB 0.684 39.782 39.000 0.163 0.000 1.155 829 F HN 0.218 nan 8.300 nan 0.000 0.461 830 I N 4.514 125.263 120.570 0.298 0.000 2.392 830 I HA 0.485 4.654 4.170 -0.003 0.000 0.295 830 I C -0.771 175.468 176.117 0.203 0.000 0.985 830 I CA -0.699 60.708 61.300 0.178 0.000 1.221 830 I CB 1.547 39.559 38.000 0.021 0.000 1.366 830 I HN 0.125 nan 8.210 nan 0.000 0.467 831 V N 4.525 124.561 119.914 0.204 0.000 2.531 831 V HA 0.670 4.789 4.120 -0.003 0.000 0.301 831 V C 0.348 176.470 176.094 0.048 0.000 1.034 831 V CA -0.666 61.739 62.300 0.176 0.000 0.865 831 V CB 1.637 33.682 31.823 0.370 0.000 0.995 831 V HN 0.882 nan 8.190 nan 0.000 0.424 832 G N 2.310 111.099 108.800 -0.018 0.000 2.335 832 G HA2 0.633 4.592 3.960 -0.003 0.000 0.316 832 G HA3 0.633 4.592 3.960 -0.003 0.000 0.316 832 G C 0.017 174.842 174.900 -0.126 0.000 1.129 832 G CA 0.177 45.234 45.100 -0.070 0.000 0.899 832 G HN 0.838 nan 8.290 nan 0.000 0.448 833 T N -1.072 113.400 114.554 -0.137 0.000 2.735 833 T HA 0.868 5.216 4.350 -0.003 0.000 0.262 833 T C -0.184 174.401 174.700 -0.191 0.000 0.955 833 T CA -0.393 61.594 62.100 -0.187 0.000 1.022 833 T CB 1.922 70.681 68.868 -0.182 0.000 1.455 833 T HN 1.922 nan 8.240 nan 0.000 0.583 834 A N 0.685 123.380 122.820 -0.208 0.000 2.572 834 A HA 0.535 4.854 4.320 -0.003 0.000 0.303 834 A C -0.961 176.418 177.584 -0.341 0.000 1.059 834 A CA -0.869 51.004 52.037 -0.273 0.000 0.788 834 A CB 0.944 19.747 19.000 -0.328 0.000 1.282 834 A HN 0.680 nan 8.150 nan 0.000 0.397 835 M N 2.691 122.053 119.600 -0.397 0.000 2.108 835 M HA 0.346 4.825 4.480 -0.003 0.000 0.347 835 M C -0.419 175.449 176.300 -0.721 0.000 1.326 835 M CA -0.327 54.633 55.300 -0.567 0.000 1.126 835 M CB 0.364 32.600 32.600 -0.606 0.000 1.606 835 M HN 0.391 nan 8.290 nan 0.000 0.462 836 V N 6.144 125.499 119.914 -0.932 0.000 2.334 836 V HA 0.421 4.540 4.120 -0.003 0.000 0.281 836 V C -0.853 174.720 176.094 -0.869 0.000 1.016 836 V CA -0.592 61.165 62.300 -0.905 0.000 0.832 836 V CB 0.809 31.839 31.823 -1.322 0.000 0.999 836 V HN 0.670 nan 8.190 nan 0.000 0.439 837 Y N 5.229 125.393 120.300 -0.227 0.000 2.429 837 Y HA 0.417 4.966 4.550 -0.003 0.000 0.342 837 Y C -1.561 174.279 175.900 -0.100 0.000 1.004 837 Y CA -2.115 55.905 58.100 -0.134 0.000 1.075 837 Y CB 2.052 40.448 38.460 -0.108 0.000 1.214 837 Y HN 0.421 nan 8.280 nan 0.000 0.455 838 P HA -0.186 nan 4.420 nan 0.000 0.216 838 P C 1.293 178.621 177.300 0.047 0.000 1.153 838 P CA 1.573 64.708 63.100 0.057 0.000 0.848 838 P CB 0.299 32.039 31.700 0.066 0.000 0.787 839 E N 1.117 121.347 120.200 0.050 0.000 2.160 839 E HA -0.172 4.176 4.350 -0.003 0.000 0.195 839 E C 0.224 176.840 176.600 0.026 0.000 0.991 839 E CA 1.085 57.502 56.400 0.028 0.000 0.810 839 E CB -0.933 28.773 29.700 0.010 0.000 0.742 839 E HN 0.378 nan 8.360 nan 0.000 0.466 840 E N 0.185 120.407 120.200 0.037 0.000 2.366 840 E HA 0.310 4.659 4.350 -0.003 0.000 0.266 840 E C 0.553 177.163 176.600 0.016 0.000 1.051 840 E CA 0.127 56.542 56.400 0.026 0.000 0.884 840 E CB 1.335 31.058 29.700 0.038 0.000 1.006 840 E HN 0.277 nan 8.360 nan 0.000 0.417 841 A N 3.639 126.468 122.820 0.016 0.000 1.861 841 A HA -0.020 4.299 4.320 -0.003 0.000 0.212 841 A C 0.656 178.254 177.584 0.023 0.000 1.199 841 A CA 0.817 52.866 52.037 0.020 0.000 0.613 841 A CB 0.229 19.243 19.000 0.023 0.000 0.846 841 A HN 0.588 nan 8.150 nan 0.000 0.446 842 E N 0.105 120.318 120.200 0.021 0.000 2.195 842 E HA 0.441 4.789 4.350 -0.003 0.000 0.271 842 E C -2.735 173.858 176.600 -0.010 0.000 0.923 842 E CA -2.171 54.245 56.400 0.026 0.000 0.790 842 E CB 1.494 31.221 29.700 0.044 0.000 1.155 842 E HN 0.165 nan 8.360 nan 0.000 0.402 843 P HA 0.210 nan 4.420 nan 0.000 0.277 843 P C -0.313 176.941 177.300 -0.077 0.000 1.240 843 P CA -0.273 62.769 63.100 -0.098 0.000 0.798 843 P CB 0.914 32.495 31.700 -0.198 0.000 0.979 844 K N 0.070 120.431 120.400 -0.066 0.000 2.374 844 K HA 0.169 4.488 4.320 -0.003 0.000 0.202 844 K C 0.199 176.773 176.600 -0.044 0.000 1.040 844 K CA 0.199 56.461 56.287 -0.041 0.000 1.085 844 K CB 0.582 33.073 32.500 -0.015 0.000 0.873 844 K HN 0.480 nan 8.250 nan 0.000 0.539 845 Q N -0.633 119.106 119.800 -0.101 0.000 2.345 845 Q HA 0.576 4.915 4.340 -0.003 0.000 0.275 845 Q C -0.802 175.115 176.000 -0.138 0.000 1.063 845 Q CA -0.926 54.821 55.803 -0.093 0.000 0.819 845 Q CB 2.647 31.231 28.738 -0.257 0.000 1.356 845 Q HN 0.193 nan 8.270 nan 0.000 0.418 846 G N 0.954 109.771 108.800 0.028 0.000 2.550 846 G HA2 0.666 4.624 3.960 -0.003 0.000 0.293 846 G HA3 0.666 4.624 3.960 -0.003 0.000 0.293 846 G C -1.696 173.296 174.900 0.154 0.000 1.402 846 G CA -0.812 44.308 45.100 0.033 0.000 0.784 846 G HN 0.516 nan 8.290 nan 0.000 0.482 847 R N -1.205 119.351 120.500 0.094 0.000 2.869 847 R HA 0.771 5.109 4.340 -0.003 0.000 0.263 847 R C -1.300 174.991 176.300 -0.015 0.000 1.066 847 R CA -1.059 55.078 56.100 0.061 0.000 0.960 847 R CB 1.920 32.282 30.300 0.102 0.000 1.221 847 R HN 0.385 nan 8.270 nan 0.000 0.474 848 I N 1.822 122.359 120.570 -0.056 0.000 2.439 848 I HA 0.313 4.482 4.170 -0.003 0.000 0.283 848 I C -0.769 175.293 176.117 -0.092 0.000 1.023 848 I CA -1.113 60.127 61.300 -0.102 0.000 1.100 848 I CB 2.139 40.010 38.000 -0.215 0.000 1.238 848 I HN 0.278 nan 8.210 nan 0.000 0.445 849 V N 6.798 126.670 119.914 -0.070 0.000 2.513 849 V HA 0.473 4.591 4.120 -0.003 0.000 0.299 849 V C -0.043 175.853 176.094 -0.330 0.000 1.035 849 V CA -0.793 61.379 62.300 -0.213 0.000 0.889 849 V CB 2.214 33.930 31.823 -0.178 0.000 0.988 849 V HN 0.368 nan 8.190 nan 0.000 0.440 850 V N 4.805 124.448 119.914 -0.451 0.000 2.384 850 V HA 0.569 4.687 4.120 -0.003 0.000 0.287 850 V C -0.649 175.193 176.094 -0.419 0.000 1.020 850 V CA -0.280 61.798 62.300 -0.371 0.000 0.850 850 V CB 1.135 32.686 31.823 -0.454 0.000 0.987 850 V HN 0.687 nan 8.190 nan 0.000 0.436 851 F N 2.310 122.309 119.950 0.081 0.000 2.556 851 F HA 0.652 5.178 4.527 -0.003 0.000 0.327 851 F C 0.184 176.126 175.800 0.236 0.000 1.059 851 F CA -0.650 57.421 58.000 0.119 0.000 0.953 851 F CB 1.924 40.991 39.000 0.111 0.000 1.227 851 F HN 0.320 nan 8.300 nan 0.000 0.478 852 Q N 1.550 121.602 119.800 0.420 0.000 2.304 852 Q HA 0.290 4.629 4.340 -0.003 0.000 0.270 852 Q C -2.158 173.991 176.000 0.248 0.000 1.035 852 Q CA -0.814 55.170 55.803 0.301 0.000 0.781 852 Q CB 2.084 30.963 28.738 0.235 0.000 1.261 852 Q HN 0.737 nan 8.270 nan 0.000 0.444 853 Y N 2.852 123.207 120.300 0.091 0.000 2.464 853 Y HA 0.270 4.818 4.550 -0.003 0.000 0.326 853 Y C 0.128 176.018 175.900 -0.017 0.000 0.969 853 Y CA 0.148 58.276 58.100 0.047 0.000 1.270 853 Y CB 1.045 39.581 38.460 0.128 0.000 1.103 853 Y HN 0.743 nan 8.280 nan 0.000 0.491 854 S N 0.956 116.497 115.700 -0.265 0.000 3.171 854 S HA 0.107 4.576 4.470 -0.003 0.000 0.258 854 S C 0.624 175.080 174.600 -0.239 0.000 1.083 854 S CA 0.298 58.382 58.200 -0.194 0.000 0.801 854 S CB 0.119 63.242 63.200 -0.128 0.000 0.831 854 S HN 0.558 nan 8.310 nan 0.000 0.462 855 D N 1.981 122.221 120.400 -0.268 0.000 1.966 855 D HA 0.398 5.036 4.640 -0.003 0.000 0.292 855 D C 1.606 177.732 176.300 -0.291 0.000 1.078 855 D CA 1.449 55.322 54.000 -0.213 0.000 0.850 855 D CB -0.262 40.443 40.800 -0.157 0.000 1.006 855 D HN 0.413 nan 8.370 nan 0.000 0.362 856 G N -1.171 107.462 108.800 -0.278 0.000 3.519 856 G HA2 0.262 4.220 3.960 -0.003 0.000 0.269 856 G HA3 0.262 4.220 3.960 -0.003 0.000 0.269 856 G C -0.186 174.501 174.900 -0.354 0.000 1.028 856 G CA -0.103 44.834 45.100 -0.272 0.000 0.809 856 G HN 0.435 nan 8.290 nan 0.000 0.521 857 K N -1.119 118.986 120.400 -0.491 0.000 2.466 857 K HA 0.622 4.940 4.320 -0.003 0.000 0.277 857 K C -1.655 174.780 176.600 -0.275 0.000 1.039 857 K CA -1.038 55.051 56.287 -0.330 0.000 0.904 857 K CB 1.082 33.502 32.500 -0.133 0.000 1.506 857 K HN -0.128 nan 8.250 nan 0.000 0.441 858 L N 2.412 123.563 121.223 -0.120 0.000 2.265 858 L HA 0.334 4.672 4.340 -0.003 0.000 0.289 858 L C -1.047 175.822 176.870 -0.001 0.000 1.033 858 L CA -0.154 54.685 54.840 -0.002 0.000 0.814 858 L CB 1.260 43.179 42.059 -0.233 0.000 1.203 858 L HN 0.848 nan 8.230 nan 0.000 0.423 859 Q N 2.924 122.787 119.800 0.106 0.000 2.322 859 Q HA 0.306 4.645 4.340 -0.003 0.000 0.265 859 Q C -0.890 175.215 176.000 0.175 0.000 0.985 859 Q CA -0.573 55.297 55.803 0.111 0.000 0.849 859 Q CB 1.630 30.420 28.738 0.086 0.000 1.274 859 Q HN 0.603 nan 8.270 nan 0.000 0.449 860 T N 4.042 118.669 114.554 0.120 0.000 2.775 860 T HA 0.090 4.438 4.350 -0.003 0.000 0.287 860 T C 1.155 175.839 174.700 -0.026 0.000 0.909 860 T CA -0.295 61.803 62.100 -0.005 0.000 1.081 860 T CB 0.613 69.456 68.868 -0.041 0.000 0.891 860 T HN 0.459 nan 8.240 nan 0.000 0.544 861 V N 2.431 122.316 119.914 -0.047 0.000 2.256 861 V HA 0.238 4.356 4.120 -0.003 0.000 0.240 861 V C 1.248 177.343 176.094 0.002 0.000 1.036 861 V CA 1.198 63.505 62.300 0.012 0.000 1.008 861 V CB -0.479 31.354 31.823 0.016 0.000 0.648 861 V HN 0.915 nan 8.190 nan 0.000 0.453 862 A N -0.640 122.149 122.820 -0.052 0.000 2.469 862 A HA 0.748 5.067 4.320 -0.003 0.000 0.299 862 A C -0.790 176.736 177.584 -0.096 0.000 1.098 862 A CA -0.474 51.561 52.037 -0.003 0.000 0.737 862 A CB 2.017 21.134 19.000 0.195 0.000 1.312 862 A HN 0.322 nan 8.150 nan 0.000 0.414 863 E N 0.155 120.321 120.200 -0.057 0.000 2.293 863 E HA 0.592 4.940 4.350 -0.003 0.000 0.270 863 E C -1.555 175.020 176.600 -0.043 0.000 0.879 863 E CA -0.717 55.642 56.400 -0.068 0.000 0.756 863 E CB 1.697 31.360 29.700 -0.060 0.000 1.208 863 E HN 0.436 nan 8.360 nan 0.000 0.428 864 K N 2.740 123.110 120.400 -0.049 0.000 2.535 864 K HA 0.226 4.545 4.320 -0.003 0.000 0.250 864 K C -1.522 175.059 176.600 -0.032 0.000 0.948 864 K CA -0.583 55.685 56.287 -0.032 0.000 0.796 864 K CB 1.606 34.077 32.500 -0.049 0.000 1.216 864 K HN 0.510 nan 8.250 nan 0.000 0.432 865 E N 2.543 122.731 120.200 -0.021 0.000 2.313 865 E HA 0.592 4.941 4.350 -0.003 0.000 0.272 865 E C -1.267 175.361 176.600 0.046 0.000 1.038 865 E CA -0.768 55.625 56.400 -0.012 0.000 0.863 865 E CB 1.218 30.884 29.700 -0.056 0.000 1.060 865 E HN 0.303 nan 8.360 nan 0.000 0.402 866 V N 3.913 123.876 119.914 0.082 0.000 2.969 866 V HA 0.161 4.279 4.120 -0.003 0.000 0.304 866 V C -0.846 175.296 176.094 0.080 0.000 1.192 866 V CA -0.843 61.504 62.300 0.077 0.000 0.962 866 V CB 2.214 34.055 31.823 0.031 0.000 1.045 866 V HN 0.780 nan 8.190 nan 0.000 0.428 867 K N 3.345 123.778 120.400 0.055 0.000 2.911 867 K HA 0.576 4.895 4.320 -0.003 0.000 0.239 867 K C 0.439 177.037 176.600 -0.003 0.000 1.090 867 K CA 0.566 56.874 56.287 0.036 0.000 1.225 867 K CB 0.379 32.891 32.500 0.020 0.000 1.087 867 K HN 0.873 nan 8.250 nan 0.000 0.464 868 G N -0.348 108.435 108.800 -0.027 0.000 2.393 868 G HA2 0.453 4.411 3.960 -0.003 0.000 0.264 868 G HA3 0.453 4.411 3.960 -0.003 0.000 0.264 868 G C -1.728 173.072 174.900 -0.166 0.000 1.221 868 G CA -0.550 44.498 45.100 -0.086 0.000 0.912 868 G HN 0.120 nan 8.290 nan 0.000 0.483 869 A N -0.398 122.246 122.820 -0.294 0.000 2.292 869 A HA 0.639 4.958 4.320 -0.003 0.000 0.319 869 A C -0.073 177.179 177.584 -0.554 0.000 1.206 869 A CA -0.416 51.318 52.037 -0.505 0.000 0.835 869 A CB 1.308 19.822 19.000 -0.810 0.000 1.164 869 A HN 1.365 nan 8.150 nan 0.000 0.505 870 V N 4.788 124.478 119.914 -0.374 0.000 2.162 870 V HA 0.029 4.147 4.120 -0.003 0.000 0.255 870 V C 0.585 176.573 176.094 -0.176 0.000 1.304 870 V CA 0.182 62.351 62.300 -0.219 0.000 1.198 870 V CB -1.897 29.844 31.823 -0.137 0.000 1.333 870 V HN 0.984 nan 8.190 nan 0.000 0.493 871 Y N 2.029 122.301 120.300 -0.047 0.000 2.165 871 Y HA -0.142 4.406 4.550 -0.003 0.000 0.286 871 Y C 1.584 177.463 175.900 -0.035 0.000 1.155 871 Y CA 1.238 59.307 58.100 -0.050 0.000 1.164 871 Y CB 0.320 38.732 38.460 -0.079 0.000 0.978 871 Y HN 0.709 nan 8.280 nan 0.000 0.513 872 S N -0.407 115.362 115.700 0.114 0.000 2.596 872 S HA 0.722 5.191 4.470 -0.003 0.000 0.270 872 S C -0.854 173.774 174.600 0.046 0.000 1.155 872 S CA -0.979 57.267 58.200 0.077 0.000 0.827 872 S CB 2.380 65.624 63.200 0.075 0.000 1.130 872 S HN 0.224 nan 8.310 nan 0.000 0.467 873 M N 0.107 119.737 119.600 0.050 0.000 2.732 873 M HA 0.872 5.351 4.480 -0.003 0.000 0.272 873 M C -2.126 174.208 176.300 0.056 0.000 1.203 873 M CA -0.950 54.373 55.300 0.038 0.000 0.841 873 M CB 1.665 34.274 32.600 0.015 0.000 1.685 873 M HN 0.929 nan 8.290 nan 0.000 0.492 874 V N 0.961 120.909 119.914 0.057 0.000 2.882 874 V HA 0.318 4.437 4.120 -0.003 0.000 0.295 874 V C -1.267 174.883 176.094 0.093 0.000 1.273 874 V CA -0.307 62.042 62.300 0.081 0.000 0.949 874 V CB 2.155 34.035 31.823 0.095 0.000 1.071 874 V HN 1.008 nan 8.190 nan 0.000 0.432 875 E N 5.073 125.325 120.200 0.087 0.000 2.351 875 E HA 0.066 4.414 4.350 -0.003 0.000 0.266 875 E C -0.632 176.057 176.600 0.148 0.000 1.031 875 E CA 0.149 56.601 56.400 0.086 0.000 0.911 875 E CB 0.839 30.562 29.700 0.039 0.000 0.986 875 E HN 0.594 nan 8.360 nan 0.000 0.446 876 F N 4.753 124.670 119.950 -0.054 0.000 2.281 876 F HA 0.138 4.664 4.527 -0.002 0.000 0.257 876 F C 1.166 176.895 175.800 -0.120 0.000 1.220 876 F CA 0.562 58.503 58.000 -0.098 0.000 1.038 876 F CB 0.189 39.094 39.000 -0.159 0.000 1.015 876 F HN 0.441 nan 8.300 nan 0.000 0.560 877 N N -0.081 118.469 118.700 -0.251 0.000 2.644 877 N HA 0.284 5.022 4.740 -0.003 0.000 0.313 877 N C 0.284 175.699 175.510 -0.160 0.000 1.863 877 N CA 0.774 53.601 53.050 -0.371 0.000 0.918 877 N CB 1.048 39.113 38.487 -0.704 0.000 1.320 877 N HN 0.715 nan 8.380 nan 0.000 0.490 878 G N 0.433 109.198 108.800 -0.057 0.000 2.218 878 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.216 878 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.216 878 G C 0.181 175.114 174.900 0.054 0.000 0.994 878 G CA -0.226 44.875 45.100 0.001 0.000 0.637 878 G HN 0.307 nan 8.290 nan 0.000 0.505 879 K N -0.735 119.703 120.400 0.064 0.000 2.303 879 K HA 0.799 5.117 4.320 -0.003 0.000 0.233 879 K C -1.100 175.570 176.600 0.117 0.000 1.046 879 K CA -1.082 55.270 56.287 0.108 0.000 0.895 879 K CB 1.967 34.525 32.500 0.096 0.000 1.220 879 K HN 0.085 nan 8.250 nan 0.000 0.470 880 L N 2.307 123.617 121.223 0.144 0.000 2.294 880 L HA 0.304 4.642 4.340 -0.003 0.000 0.283 880 L C -1.380 175.588 176.870 0.163 0.000 1.015 880 L CA -0.702 54.211 54.840 0.122 0.000 0.831 880 L CB 1.031 43.136 42.059 0.077 0.000 1.217 880 L HN 0.393 nan 8.230 nan 0.000 0.420 881 L N 5.699 126.975 121.223 0.088 0.000 2.260 881 L HA 0.798 5.136 4.340 -0.003 0.000 0.289 881 L C -0.322 176.579 176.870 0.051 0.000 1.057 881 L CA 0.168 55.024 54.840 0.027 0.000 0.811 881 L CB 0.761 42.749 42.059 -0.119 0.000 1.184 881 L HN 0.720 nan 8.230 nan 0.000 0.429 882 A N 3.381 126.263 122.820 0.103 0.000 2.386 882 A HA 0.708 5.027 4.320 -0.003 0.000 0.311 882 A C -0.731 176.889 177.584 0.061 0.000 1.068 882 A CA -0.490 51.587 52.037 0.067 0.000 0.743 882 A CB 1.601 20.624 19.000 0.039 0.000 1.258 882 A HN 0.667 nan 8.150 nan 0.000 0.429 883 S N 2.056 117.775 115.700 0.032 0.000 2.532 883 S HA 0.561 5.030 4.470 -0.003 0.000 0.318 883 S C -0.817 173.812 174.600 0.049 0.000 1.083 883 S CA -0.397 57.822 58.200 0.032 0.000 1.131 883 S CB -0.688 62.526 63.200 0.024 0.000 0.973 883 S HN 0.452 nan 8.310 nan 0.000 0.468 884 I N 5.304 125.900 120.570 0.045 0.000 2.347 884 I HA 0.348 4.517 4.170 -0.003 0.000 0.283 884 I C 0.600 176.733 176.117 0.028 0.000 1.058 884 I CA -0.406 60.897 61.300 0.005 0.000 1.202 884 I CB 0.575 38.586 38.000 0.018 0.000 1.386 884 I HN 0.717 nan 8.210 nan 0.000 0.475 885 N N 4.982 123.731 118.700 0.081 0.000 2.681 885 N HA -0.241 4.497 4.740 -0.003 0.000 0.259 885 N C 0.288 175.861 175.510 0.104 0.000 1.066 885 N CA 1.036 54.174 53.050 0.147 0.000 0.717 885 N CB -0.244 38.246 38.487 0.006 0.000 0.885 885 N HN 0.818 nan 8.380 nan 0.000 0.547 886 S N -2.188 113.570 115.700 0.097 0.000 2.929 886 S HA -0.170 4.298 4.470 -0.003 0.000 0.271 886 S C 0.171 174.784 174.600 0.023 0.000 1.295 886 S CA 1.627 59.844 58.200 0.028 0.000 1.277 886 S CB -0.932 62.278 63.200 0.018 0.000 1.557 886 S HN 0.736 nan 8.310 nan 0.000 0.666 887 T N 1.221 115.793 114.554 0.030 0.000 2.887 887 T HA 0.652 5.000 4.350 -0.003 0.000 0.288 887 T C -0.417 174.304 174.700 0.034 0.000 1.021 887 T CA -0.506 61.618 62.100 0.041 0.000 1.000 887 T CB 2.254 71.128 68.868 0.010 0.000 1.034 887 T HN 0.035 nan 8.240 nan 0.000 0.467 888 V N 3.313 123.245 119.914 0.031 0.000 2.444 888 V HA 0.583 4.701 4.120 -0.003 0.000 0.294 888 V C -0.336 175.809 176.094 0.085 0.000 1.022 888 V CA -0.701 61.581 62.300 -0.030 0.000 0.850 888 V CB 1.596 33.261 31.823 -0.262 0.000 0.992 888 V HN 0.705 nan 8.190 nan 0.000 0.426 889 R N 3.912 124.478 120.500 0.110 0.000 2.686 889 R HA 0.604 4.942 4.340 -0.003 0.000 0.283 889 R C -1.705 174.640 176.300 0.075 0.000 0.978 889 R CA -0.989 55.175 56.100 0.106 0.000 0.897 889 R CB 2.448 32.790 30.300 0.071 0.000 1.192 889 R HN 0.411 nan 8.270 nan 0.000 0.457 890 L N 2.879 124.086 121.223 -0.026 0.000 2.307 890 L HA 0.440 4.779 4.340 -0.003 0.000 0.282 890 L C -1.240 175.559 176.870 -0.119 0.000 1.051 890 L CA -0.454 54.383 54.840 -0.005 0.000 0.804 890 L CB 0.735 42.785 42.059 -0.015 0.000 1.197 890 L HN 0.468 nan 8.230 nan 0.000 0.431 891 Y N 2.227 122.558 120.300 0.053 0.000 2.446 891 Y HA 0.460 5.008 4.550 -0.003 0.000 0.345 891 Y C 0.097 176.056 175.900 0.098 0.000 0.984 891 Y CA -0.687 57.460 58.100 0.078 0.000 1.058 891 Y CB 1.671 40.175 38.460 0.074 0.000 1.220 891 Y HN 0.531 nan 8.280 nan 0.000 0.455 892 E N 3.263 123.608 120.200 0.243 0.000 2.204 892 E HA 0.106 4.454 4.350 -0.003 0.000 0.276 892 E C -1.388 175.390 176.600 0.296 0.000 0.974 892 E CA -0.694 55.831 56.400 0.208 0.000 0.815 892 E CB 0.981 30.755 29.700 0.122 0.000 1.119 892 E HN 0.798 nan 8.360 nan 0.000 0.393 893 W N 6.467 127.797 121.300 0.050 0.000 2.309 893 W HA 0.202 4.860 4.660 -0.003 0.000 0.332 893 W C -0.691 175.838 176.519 0.016 0.000 0.962 893 W CA -0.650 56.708 57.345 0.022 0.000 1.497 893 W CB 0.806 30.273 29.460 0.012 0.000 1.308 893 W HN 0.492 nan 8.180 nan 0.000 0.384 894 T N 2.195 116.610 114.554 -0.231 0.000 2.779 894 T HA -0.179 4.169 4.350 -0.003 0.000 0.348 894 T C 1.779 176.198 174.700 -0.467 0.000 1.090 894 T CA 1.622 63.542 62.100 -0.300 0.000 1.111 894 T CB 0.923 69.619 68.868 -0.287 0.000 1.026 894 T HN 0.551 nan 8.240 nan 0.000 0.547 895 T N -1.085 113.304 114.554 -0.276 0.000 3.067 895 T HA 0.069 4.417 4.350 -0.003 0.000 0.257 895 T C 1.097 175.643 174.700 -0.256 0.000 1.105 895 T CA 0.351 62.313 62.100 -0.230 0.000 1.104 895 T CB -0.011 68.791 68.868 -0.109 0.000 0.925 895 T HN 0.485 nan 8.240 nan 0.000 0.498 896 E N 1.582 121.611 120.200 -0.284 0.000 2.403 896 E HA 0.257 4.606 4.350 -0.003 0.000 0.187 896 E C 0.016 176.382 176.600 -0.390 0.000 1.073 896 E CA -0.111 56.137 56.400 -0.253 0.000 0.888 896 E CB -0.406 29.183 29.700 -0.184 0.000 1.035 896 E HN 0.507 nan 8.360 nan 0.000 0.471 897 K N 0.843 120.820 120.400 -0.706 0.000 3.244 897 K HA -0.178 4.141 4.320 -0.003 0.000 0.270 897 K C -0.800 175.080 176.600 -1.199 0.000 1.016 897 K CA 0.459 56.017 56.287 -1.217 0.000 0.754 897 K CB -1.073 31.195 32.500 -0.387 0.000 1.326 897 K HN 0.144 nan 8.250 nan 0.000 0.465 898 D N 0.348 120.101 120.400 -1.079 0.000 2.619 898 D HA 0.394 5.032 4.640 -0.003 0.000 0.241 898 D C -0.677 175.515 176.300 -0.179 0.000 1.087 898 D CA -0.602 53.146 54.000 -0.421 0.000 0.851 898 D CB 1.882 42.529 40.800 -0.256 0.000 1.474 898 D HN 0.023 nan 8.370 nan 0.000 0.478 899 V N 1.158 121.176 119.914 0.173 0.000 2.427 899 V HA 0.844 4.963 4.120 -0.003 0.000 0.286 899 V C -0.267 175.978 176.094 0.253 0.000 1.034 899 V CA -0.666 61.827 62.300 0.322 0.000 0.893 899 V CB 1.213 33.221 31.823 0.309 0.000 0.982 899 V HN 0.643 nan 8.190 nan 0.000 0.452 900 R N 1.711 122.374 120.500 0.272 0.000 2.643 900 R HA 0.790 5.128 4.340 -0.003 0.000 0.269 900 R C -0.936 175.408 176.300 0.072 0.000 1.037 900 R CA -0.472 55.737 56.100 0.182 0.000 0.894 900 R CB 2.004 32.348 30.300 0.073 0.000 1.238 900 R HN 0.692 nan 8.270 nan 0.000 0.459 901 T N -0.042 114.467 114.554 -0.075 0.000 2.926 901 T HA 0.327 4.675 4.350 -0.003 0.000 0.289 901 T C -0.988 173.649 174.700 -0.104 0.000 1.054 901 T CA -0.725 61.221 62.100 -0.256 0.000 1.015 901 T CB 1.611 70.066 68.868 -0.688 0.000 1.167 901 T HN 0.670 nan 8.240 nan 0.000 0.526 902 E N 1.952 122.113 120.200 -0.065 0.000 2.042 902 E HA 0.246 4.595 4.350 -0.003 0.000 0.260 902 E C 0.641 177.208 176.600 -0.056 0.000 0.975 902 E CA -0.453 55.913 56.400 -0.057 0.000 0.799 902 E CB 0.178 29.853 29.700 -0.041 0.000 1.131 902 E HN 0.626 nan 8.360 nan 0.000 0.423 903 C N 2.706 121.985 119.300 -0.035 0.000 2.393 903 C HA -0.138 4.320 4.460 -0.003 0.000 0.292 903 C C 1.961 177.044 174.990 0.155 0.000 1.347 903 C CA 0.864 59.903 59.018 0.035 0.000 1.810 903 C CB -0.909 26.836 27.740 0.008 0.000 1.899 903 C HN 0.724 nan 8.230 nan 0.000 0.532 904 N N -0.705 118.006 118.700 0.019 0.000 2.336 904 N HA 0.025 4.763 4.740 -0.003 0.000 0.189 904 N C -0.276 175.187 175.510 -0.078 0.000 1.113 904 N CA 0.239 53.305 53.050 0.027 0.000 0.858 904 N CB -0.044 38.374 38.487 -0.115 0.000 0.970 904 N HN 0.698 nan 8.380 nan 0.000 0.471 905 H N 0.011 119.101 119.070 0.033 0.000 2.700 905 H HA 0.167 4.722 4.556 -0.002 0.000 0.269 905 H C -0.655 174.730 175.328 0.095 0.000 1.222 905 H CA -0.674 55.343 56.048 -0.050 0.000 1.254 905 H CB 0.150 29.904 29.762 -0.015 0.000 1.413 905 H HN 0.195 nan 8.280 nan 0.000 0.507 906 Y N 0.169 120.584 120.300 0.192 0.000 3.071 906 Y HA 0.440 4.989 4.550 -0.002 0.000 0.301 906 Y C -1.298 174.886 175.900 0.472 0.000 1.657 906 Y CA -1.506 56.750 58.100 0.260 0.000 1.078 906 Y CB 1.338 39.883 38.460 0.142 0.000 1.465 906 Y HN 0.331 nan 8.280 nan 0.000 0.496 907 N N 0.306 119.470 118.700 0.773 0.000 2.367 907 N HA 0.225 4.963 4.740 -0.003 0.000 0.278 907 N C -2.077 173.651 175.510 0.364 0.000 1.117 907 N CA -0.561 52.911 53.050 0.703 0.000 0.867 907 N CB 1.743 40.151 38.487 -0.132 0.000 1.649 907 N HN 0.773 nan 8.380 nan 0.000 0.479 908 N N 3.132 121.997 118.700 0.275 0.000 3.234 908 N HA 0.408 5.147 4.740 -0.003 0.000 0.272 908 N C -0.825 174.707 175.510 0.038 0.000 1.254 908 N CA 0.009 53.145 53.050 0.144 0.000 1.087 908 N CB 0.170 38.742 38.487 0.142 0.000 1.356 908 N HN 0.508 nan 8.380 nan 0.000 0.511 909 I N 0.770 121.326 120.570 -0.024 0.000 2.647 909 I HA 0.297 4.466 4.170 -0.003 0.000 0.295 909 I C -0.071 176.001 176.117 -0.075 0.000 1.078 909 I CA -1.027 60.222 61.300 -0.086 0.000 1.048 909 I CB 2.418 40.317 38.000 -0.169 0.000 1.239 909 I HN 0.062 nan 8.210 nan 0.000 0.421 910 M N 6.557 126.101 119.600 -0.094 0.000 3.347 910 M HA 0.466 4.944 4.480 -0.003 0.000 0.260 910 M C -0.264 175.941 176.300 -0.158 0.000 1.362 910 M CA -0.148 55.089 55.300 -0.105 0.000 1.497 910 M CB 0.458 32.981 32.600 -0.128 0.000 1.080 910 M HN 0.527 nan 8.290 nan 0.000 0.592 911 A N 3.745 126.492 122.820 -0.122 0.000 2.981 911 A HA 0.174 4.492 4.320 -0.003 0.000 0.280 911 A C 1.099 178.579 177.584 -0.174 0.000 1.797 911 A CA -0.168 51.788 52.037 -0.134 0.000 1.456 911 A CB -0.826 18.112 19.000 -0.103 0.000 1.057 911 A HN 1.020 nan 8.150 nan 0.000 0.602 912 L N 0.715 121.724 121.223 -0.357 0.000 2.131 912 L HA -0.037 4.301 4.340 -0.003 0.000 0.210 912 L C -0.075 176.416 176.870 -0.632 0.000 1.092 912 L CA 1.302 55.771 54.840 -0.618 0.000 0.759 912 L CB -0.114 41.355 42.059 -0.984 0.000 0.903 912 L HN 0.723 nan 8.230 nan 0.000 0.435 913 Y N -1.289 119.000 120.300 -0.017 0.000 2.462 913 Y HA 0.556 5.104 4.550 -0.003 0.000 0.346 913 Y C -0.587 175.314 175.900 0.003 0.000 0.976 913 Y CA -1.127 56.979 58.100 0.010 0.000 1.044 913 Y CB 1.950 40.419 38.460 0.016 0.000 1.230 913 Y HN -0.206 nan 8.280 nan 0.000 0.455 914 L N 3.311 124.635 121.223 0.168 0.000 2.482 914 L HA 0.675 5.013 4.340 -0.003 0.000 0.263 914 L C -1.683 175.251 176.870 0.105 0.000 0.957 914 L CA -0.713 54.181 54.840 0.089 0.000 0.836 914 L CB 1.835 43.925 42.059 0.051 0.000 1.324 914 L HN 0.546 nan 8.230 nan 0.000 0.406 915 K N 2.292 122.743 120.400 0.086 0.000 2.512 915 K HA 0.707 5.025 4.320 -0.003 0.000 0.263 915 K C -1.350 175.320 176.600 0.117 0.000 0.966 915 K CA -0.767 55.588 56.287 0.113 0.000 0.851 915 K CB 2.343 34.921 32.500 0.130 0.000 1.395 915 K HN 0.603 nan 8.250 nan 0.000 0.440 916 T N 1.737 116.377 114.554 0.143 0.000 2.861 916 T HA 0.407 4.756 4.350 -0.003 0.000 0.287 916 T C -0.841 173.939 174.700 0.133 0.000 1.003 916 T CA -0.726 61.479 62.100 0.175 0.000 0.977 916 T CB 1.364 70.371 68.868 0.232 0.000 0.996 916 T HN 0.223 nan 8.240 nan 0.000 0.448 917 K N 1.540 122.025 120.400 0.142 0.000 2.211 917 K HA 0.419 4.737 4.320 -0.003 0.000 0.275 917 K C 1.577 178.214 176.600 0.063 0.000 1.024 917 K CA -0.615 55.733 56.287 0.102 0.000 0.887 917 K CB 1.133 33.714 32.500 0.135 0.000 1.084 917 K HN 0.750 nan 8.250 nan 0.000 0.463 918 G N 2.580 111.390 108.800 0.017 0.000 2.773 918 G HA2 -0.335 3.624 3.960 -0.003 0.000 0.224 918 G HA3 -0.335 3.624 3.960 -0.003 0.000 0.224 918 G C 0.670 175.569 174.900 -0.001 0.000 1.078 918 G CA 1.198 46.286 45.100 -0.021 0.000 0.724 918 G HN 0.717 nan 8.290 nan 0.000 0.620 919 D N -0.891 119.558 120.400 0.081 0.000 2.249 919 D HA 0.156 4.794 4.640 -0.003 0.000 0.269 919 D C 0.482 176.963 176.300 0.302 0.000 1.220 919 D CA -0.716 53.418 54.000 0.224 0.000 1.016 919 D CB -0.071 40.827 40.800 0.164 0.000 1.133 919 D HN -0.038 nan 8.370 nan 0.000 0.533 920 F N -0.203 119.767 119.950 0.032 0.000 2.798 920 F HA 0.361 4.888 4.527 -0.000 0.000 0.291 920 F C 0.015 176.074 175.800 0.431 0.000 1.174 920 F CA -0.354 57.757 58.000 0.186 0.000 1.392 920 F CB -0.575 38.590 39.000 0.275 0.000 0.966 920 F HN 0.060 nan 8.300 nan 0.000 0.509 921 I N -0.184 120.670 120.570 0.474 0.000 3.100 921 I HA 0.608 4.776 4.170 -0.003 0.000 0.312 921 I C -1.132 175.169 176.117 0.306 0.000 1.063 921 I CA -1.452 60.051 61.300 0.339 0.000 1.031 921 I CB 2.290 40.425 38.000 0.225 0.000 1.243 921 I HN -0.291 nan 8.210 nan 0.000 0.483 922 L N 1.885 123.191 121.223 0.139 0.000 2.902 922 L HA 0.263 4.601 4.340 -0.003 0.000 0.261 922 L C -1.120 175.706 176.870 -0.073 0.000 0.928 922 L CA -0.123 54.748 54.840 0.053 0.000 1.024 922 L CB 1.904 43.968 42.059 0.008 0.000 1.629 922 L HN 0.268 nan 8.230 nan 0.000 0.478 923 V N 2.285 122.145 119.914 -0.089 0.000 2.370 923 V HA 0.948 5.066 4.120 -0.003 0.000 0.279 923 V C 0.697 176.745 176.094 -0.077 0.000 1.029 923 V CA 0.016 62.220 62.300 -0.161 0.000 0.870 923 V CB 0.765 32.499 31.823 -0.147 0.000 0.984 923 V HN 0.821 nan 8.190 nan 0.000 0.451 924 G N 2.405 111.149 108.800 -0.095 0.000 2.887 924 G HA2 0.647 4.606 3.960 -0.003 0.000 0.277 924 G HA3 0.647 4.606 3.960 -0.003 0.000 0.277 924 G C -1.581 173.300 174.900 -0.032 0.000 1.346 924 G CA -0.338 44.722 45.100 -0.066 0.000 1.058 924 G HN 0.669 nan 8.290 nan 0.000 0.535 925 D N -1.136 119.237 120.400 -0.045 0.000 2.964 925 D HA 0.379 5.017 4.640 -0.003 0.000 0.234 925 D C 0.025 176.243 176.300 -0.135 0.000 1.223 925 D CA -0.595 53.369 54.000 -0.060 0.000 0.889 925 D CB 2.414 43.230 40.800 0.025 0.000 1.609 925 D HN 0.234 nan 8.370 nan 0.000 0.523 926 L N 3.432 124.565 121.223 -0.150 0.000 3.058 926 L HA 0.558 4.896 4.340 -0.003 0.000 0.179 926 L C 0.392 177.149 176.870 -0.188 0.000 1.400 926 L CA 0.316 55.059 54.840 -0.161 0.000 1.241 926 L CB -0.200 41.771 42.059 -0.146 0.000 1.515 926 L HN 0.411 nan 8.230 nan 0.000 0.724 927 M N 2.005 121.487 119.600 -0.196 0.000 3.344 927 M HA 0.432 4.911 4.480 -0.003 0.000 0.224 927 M C -1.050 175.066 176.300 -0.308 0.000 1.164 927 M CA -0.083 55.079 55.300 -0.229 0.000 1.135 927 M CB -0.169 32.328 32.600 -0.170 0.000 1.228 927 M HN 0.188 nan 8.290 nan 0.000 0.586 928 R N -0.109 120.171 120.500 -0.368 0.000 2.983 928 R HA -0.109 4.229 4.340 -0.003 0.000 0.272 928 R C -1.177 174.957 176.300 -0.277 0.000 0.926 928 R CA 0.769 56.597 56.100 -0.453 0.000 0.667 928 R CB -2.894 26.858 30.300 -0.913 0.000 1.540 928 R HN 0.736 nan 8.270 nan 0.000 0.467 929 S N -2.549 113.050 115.700 -0.168 0.000 2.622 929 S HA 0.452 4.921 4.470 -0.003 0.000 0.275 929 S C -0.509 174.064 174.600 -0.044 0.000 1.112 929 S CA -0.958 57.172 58.200 -0.117 0.000 0.837 929 S CB 2.417 65.497 63.200 -0.200 0.000 1.082 929 S HN 0.088 nan 8.310 nan 0.000 0.456 930 V N 1.851 121.772 119.914 0.012 0.000 2.427 930 V HA 0.618 4.737 4.120 -0.003 0.000 0.286 930 V C -0.516 175.532 176.094 -0.076 0.000 1.034 930 V CA -0.419 61.894 62.300 0.022 0.000 0.893 930 V CB 0.863 32.777 31.823 0.152 0.000 0.982 930 V HN 0.774 nan 8.190 nan 0.000 0.452 931 L N 5.204 126.354 121.223 -0.122 0.000 2.354 931 L HA 0.698 5.036 4.340 -0.003 0.000 0.264 931 L C -0.928 175.816 176.870 -0.209 0.000 1.008 931 L CA -0.799 53.944 54.840 -0.160 0.000 0.819 931 L CB 2.004 43.972 42.059 -0.151 0.000 1.339 931 L HN 0.458 nan 8.230 nan 0.000 0.420 932 L N 2.905 124.013 121.223 -0.191 0.000 2.349 932 L HA 0.754 5.093 4.340 -0.003 0.000 0.278 932 L C -1.560 175.265 176.870 -0.074 0.000 0.996 932 L CA -0.216 54.494 54.840 -0.217 0.000 0.825 932 L CB 1.432 43.325 42.059 -0.276 0.000 1.243 932 L HN 0.410 nan 8.230 nan 0.000 0.412 933 L N 5.007 126.210 121.223 -0.033 0.000 2.401 933 L HA 0.963 5.302 4.340 -0.003 0.000 0.266 933 L C -0.337 176.620 176.870 0.144 0.000 0.991 933 L CA -0.343 54.535 54.840 0.063 0.000 0.818 933 L CB 2.011 44.105 42.059 0.057 0.000 1.321 933 L HN 0.757 nan 8.230 nan 0.000 0.413 934 A N 1.202 124.141 122.820 0.199 0.000 2.374 934 A HA 0.657 4.975 4.320 -0.003 0.000 0.317 934 A C -1.618 176.183 177.584 0.362 0.000 1.094 934 A CA -0.521 51.692 52.037 0.293 0.000 0.765 934 A CB 0.872 20.009 19.000 0.228 0.000 1.268 934 A HN 0.579 nan 8.150 nan 0.000 0.438 935 Y N 2.119 122.642 120.300 0.371 0.000 2.402 935 Y HA 0.339 4.887 4.550 -0.003 0.000 0.333 935 Y C -0.054 176.021 175.900 0.292 0.000 1.076 935 Y CA 0.129 58.432 58.100 0.340 0.000 1.299 935 Y CB 0.684 39.435 38.460 0.484 0.000 1.197 935 Y HN 0.440 nan 8.280 nan 0.000 0.517 936 K N 9.078 129.272 120.400 -0.343 0.000 2.449 936 K HA 0.237 4.555 4.320 -0.003 0.000 0.257 936 K C -2.320 173.904 176.600 -0.627 0.000 0.989 936 K CA -1.734 54.345 56.287 -0.346 0.000 0.916 936 K CB 1.668 34.043 32.500 -0.209 0.000 1.136 936 K HN 0.430 nan 8.250 nan 0.000 0.439 937 P HA -0.064 nan 4.420 nan 0.000 0.229 937 P C 1.363 178.512 177.300 -0.252 0.000 1.160 937 P CA 0.580 63.398 63.100 -0.469 0.000 0.777 937 P CB 0.215 31.848 31.700 -0.111 0.000 0.814 938 M N 0.470 119.952 119.600 -0.197 0.000 2.108 938 M HA -0.211 4.267 4.480 -0.003 0.000 0.257 938 M C 1.071 177.268 176.300 -0.172 0.000 1.071 938 M CA 2.060 57.276 55.300 -0.139 0.000 1.093 938 M CB -0.335 32.197 32.600 -0.113 0.000 1.345 938 M HN -0.134 nan 8.290 nan 0.000 0.403 939 E N -0.819 119.224 120.200 -0.261 0.000 2.481 939 E HA 0.212 4.561 4.350 -0.003 0.000 0.198 939 E C 0.724 176.986 176.600 -0.562 0.000 1.027 939 E CA 0.391 56.606 56.400 -0.308 0.000 0.900 939 E CB 0.366 29.894 29.700 -0.287 0.000 0.993 939 E HN 0.738 nan 8.360 nan 0.000 0.482 940 G N 1.810 110.281 108.800 -0.549 0.000 2.341 940 G HA2 -0.333 3.626 3.960 -0.003 0.000 0.292 940 G HA3 -0.333 3.626 3.960 -0.003 0.000 0.292 940 G C -0.047 174.592 174.900 -0.435 0.000 1.021 940 G CA 0.982 45.740 45.100 -0.570 0.000 0.905 940 G HN 0.313 nan 8.290 nan 0.000 0.508 941 N N -1.089 117.359 118.700 -0.420 0.000 3.229 941 N HA 0.828 5.567 4.740 -0.003 0.000 0.315 941 N C -0.563 174.841 175.510 -0.176 0.000 1.520 941 N CA -0.829 51.978 53.050 -0.405 0.000 0.769 941 N CB 0.934 39.048 38.487 -0.622 0.000 1.766 941 N HN 0.372 nan 8.380 nan 0.000 0.618 942 F N -0.957 118.999 119.950 0.009 0.000 2.532 942 F HA 0.629 5.154 4.527 -0.003 0.000 0.321 942 F C -0.131 175.666 175.800 -0.006 0.000 1.089 942 F CA -0.829 57.198 58.000 0.045 0.000 0.926 942 F CB 1.160 40.172 39.000 0.019 0.000 1.168 942 F HN 0.203 nan 8.300 nan 0.000 0.459 943 E N 1.392 121.677 120.200 0.142 0.000 2.191 943 E HA 0.143 4.491 4.350 -0.003 0.000 0.274 943 E C -0.939 175.743 176.600 0.137 0.000 0.948 943 E CA -0.649 55.795 56.400 0.074 0.000 0.802 943 E CB 1.506 31.217 29.700 0.018 0.000 1.137 943 E HN 0.853 nan 8.360 nan 0.000 0.397 944 E N 4.955 125.218 120.200 0.105 0.000 1.979 944 E HA 0.059 4.407 4.350 -0.003 0.000 0.285 944 E C 1.107 177.737 176.600 0.049 0.000 1.188 944 E CA -0.163 56.282 56.400 0.075 0.000 1.214 944 E CB -0.034 29.698 29.700 0.053 0.000 1.210 944 E HN 0.636 nan 8.360 nan 0.000 0.477 945 I N 1.403 122.007 120.570 0.056 0.000 2.143 945 I HA -0.313 3.855 4.170 -0.003 0.000 0.245 945 I C 1.072 177.226 176.117 0.061 0.000 1.068 945 I CA 1.332 62.667 61.300 0.059 0.000 1.326 945 I CB -0.052 37.990 38.000 0.069 0.000 1.028 945 I HN 0.335 nan 8.210 nan 0.000 0.412 946 A N -0.443 122.399 122.820 0.035 0.000 2.601 946 A HA 0.770 5.088 4.320 -0.003 0.000 0.291 946 A C -0.753 176.810 177.584 -0.034 0.000 1.075 946 A CA -0.586 51.477 52.037 0.044 0.000 0.671 946 A CB 1.597 20.658 19.000 0.102 0.000 1.277 946 A HN 0.163 nan 8.150 nan 0.000 0.417 947 R N 0.327 120.798 120.500 -0.049 0.000 2.668 947 R HA 0.509 4.847 4.340 -0.003 0.000 0.272 947 R C -2.045 174.178 176.300 -0.128 0.000 1.019 947 R CA -0.493 55.483 56.100 -0.208 0.000 0.894 947 R CB 1.837 31.828 30.300 -0.516 0.000 1.228 947 R HN 0.726 nan 8.270 nan 0.000 0.460 948 D N 3.575 123.898 120.400 -0.128 0.000 2.411 948 D HA 0.210 4.848 4.640 -0.003 0.000 0.225 948 D C -0.475 175.725 176.300 -0.166 0.000 1.156 948 D CA -0.175 53.804 54.000 -0.035 0.000 0.874 948 D CB 0.201 41.011 40.800 0.016 0.000 1.034 948 D HN 0.212 nan 8.370 nan 0.000 0.502 949 F N 2.467 122.331 119.950 -0.144 0.000 2.313 949 F HA 0.194 4.719 4.527 -0.003 0.000 0.288 949 F C 1.441 177.183 175.800 -0.097 0.000 1.274 949 F CA -0.449 57.474 58.000 -0.127 0.000 1.241 949 F CB -0.191 38.728 39.000 -0.134 0.000 1.409 949 F HN 0.427 nan 8.300 nan 0.000 0.511 950 N N 0.053 118.829 118.700 0.126 0.000 2.695 950 N HA -0.117 4.621 4.740 -0.003 0.000 0.281 950 N C -2.988 172.491 175.510 -0.050 0.000 1.648 950 N CA -0.234 52.822 53.050 0.010 0.000 1.250 950 N CB -0.381 38.078 38.487 -0.045 0.000 0.876 950 N HN 0.115 nan 8.380 nan 0.000 0.473 951 P HA 0.400 nan 4.420 nan 0.000 0.281 951 P C -1.093 176.192 177.300 -0.026 0.000 1.249 951 P CA -0.210 62.856 63.100 -0.057 0.000 0.810 951 P CB 0.829 32.512 31.700 -0.029 0.000 1.008 952 N N 1.294 119.958 118.700 -0.061 0.000 2.537 952 N HA 0.077 4.815 4.740 -0.003 0.000 0.281 952 N C -1.504 174.016 175.510 0.017 0.000 1.097 952 N CA -0.230 52.858 53.050 0.063 0.000 0.964 952 N CB 0.774 39.313 38.487 0.087 0.000 1.588 952 N HN 0.373 nan 8.380 nan 0.000 0.511 953 W N 3.322 124.654 121.300 0.053 0.000 2.351 953 W HA 0.284 4.942 4.660 -0.002 0.000 0.421 953 W C 0.624 177.193 176.519 0.084 0.000 1.000 953 W CA -0.398 56.985 57.345 0.063 0.000 1.610 953 W CB 0.026 29.510 29.460 0.040 0.000 1.700 953 W HN 0.228 nan 8.180 nan 0.000 0.351 954 M N 1.880 121.620 119.600 0.233 0.000 2.250 954 M HA -0.001 4.477 4.480 -0.003 0.000 0.325 954 M C 1.430 177.830 176.300 0.166 0.000 1.084 954 M CA 0.598 56.013 55.300 0.191 0.000 1.161 954 M CB 0.771 33.520 32.600 0.248 0.000 1.481 954 M HN 0.483 nan 8.290 nan 0.000 0.449 955 S N -0.167 115.391 115.700 -0.238 0.000 2.631 955 S HA 0.614 5.082 4.470 -0.003 0.000 0.246 955 S C 0.299 174.295 174.600 -1.006 0.000 1.068 955 S CA 0.231 58.144 58.200 -0.480 0.000 0.995 955 S CB 0.577 63.299 63.200 -0.798 0.000 0.944 955 S HN 0.894 nan 8.310 nan 0.000 0.529 956 A N -0.047 122.268 122.820 -0.842 0.000 2.564 956 A HA 0.799 5.118 4.320 -0.003 0.000 0.291 956 A C -1.744 175.758 177.584 -0.136 0.000 1.102 956 A CA -0.582 51.067 52.037 -0.646 0.000 0.660 956 A CB 1.270 19.902 19.000 -0.613 0.000 1.283 956 A HN 0.854 nan 8.150 nan 0.000 0.430 957 V N 0.124 120.137 119.914 0.165 0.000 2.966 957 V HA 0.663 4.782 4.120 -0.003 0.000 0.288 957 V C -1.586 174.564 176.094 0.093 0.000 1.380 957 V CA -0.126 62.224 62.300 0.083 0.000 0.966 957 V CB 2.123 33.983 31.823 0.062 0.000 1.115 957 V HN 1.284 nan 8.190 nan 0.000 0.436 958 E N 3.457 123.581 120.200 -0.126 0.000 2.352 958 E HA 0.588 4.936 4.350 -0.003 0.000 0.280 958 E C -1.535 175.063 176.600 -0.003 0.000 0.930 958 E CA -0.515 55.829 56.400 -0.093 0.000 0.765 958 E CB 1.883 31.395 29.700 -0.314 0.000 1.219 958 E HN 0.577 nan 8.360 nan 0.000 0.434 959 I N 5.971 126.633 120.570 0.154 0.000 2.436 959 I HA 0.103 4.272 4.170 -0.003 0.000 0.289 959 I C 0.906 177.142 176.117 0.199 0.000 1.083 959 I CA 0.066 61.520 61.300 0.256 0.000 1.372 959 I CB 0.470 38.635 38.000 0.275 0.000 1.408 959 I HN 0.602 nan 8.210 nan 0.000 0.516 960 L N 4.812 126.077 121.223 0.070 0.000 2.084 960 L HA 0.073 4.411 4.340 -0.003 0.000 0.202 960 L C 0.509 177.413 176.870 0.058 0.000 1.074 960 L CA 0.711 55.574 54.840 0.037 0.000 0.757 960 L CB -0.389 41.615 42.059 -0.092 0.000 0.918 960 L HN 0.725 nan 8.230 nan 0.000 0.444 961 D N -3.327 117.058 120.400 -0.024 0.000 3.076 961 D HA 0.067 4.706 4.640 -0.003 0.000 0.301 961 D C 0.166 176.459 176.300 -0.011 0.000 1.260 961 D CA -0.579 53.411 54.000 -0.017 0.000 1.027 961 D CB 0.003 40.772 40.800 -0.052 0.000 1.370 961 D HN -0.240 nan 8.370 nan 0.000 0.602 962 D N -0.861 119.538 120.400 -0.002 0.000 2.312 962 D HA -0.024 4.614 4.640 -0.003 0.000 0.211 962 D C 0.088 176.409 176.300 0.035 0.000 0.964 962 D CA 0.912 54.953 54.000 0.068 0.000 0.877 962 D CB 0.224 41.056 40.800 0.053 0.000 0.924 962 D HN 0.375 nan 8.370 nan 0.000 0.515 963 D N -0.375 119.903 120.400 -0.202 0.000 2.500 963 D HA 0.077 4.715 4.640 -0.003 0.000 0.218 963 D C 0.105 175.895 176.300 -0.850 0.000 1.140 963 D CA -0.055 53.751 54.000 -0.322 0.000 0.830 963 D CB 0.962 41.661 40.800 -0.168 0.000 1.055 963 D HN 0.052 nan 8.370 nan 0.000 0.512 964 N N 0.734 118.807 118.700 -1.044 0.000 2.296 964 N HA 0.342 5.081 4.740 -0.003 0.000 0.294 964 N C -1.317 173.622 175.510 -0.951 0.000 1.033 964 N CA -0.288 52.182 53.050 -0.968 0.000 0.839 964 N CB 1.998 40.216 38.487 -0.449 0.000 1.395 964 N HN -0.139 nan 8.380 nan 0.000 0.479 965 F N 1.397 121.317 119.950 -0.049 0.000 2.539 965 F HA 0.387 4.912 4.527 -0.003 0.000 0.328 965 F C 0.175 175.876 175.800 -0.166 0.000 1.148 965 F CA -0.847 57.105 58.000 -0.080 0.000 0.940 965 F CB 1.823 40.806 39.000 -0.028 0.000 1.194 965 F HN 0.092 nan 8.300 nan 0.000 0.438 966 L N 3.185 124.318 121.223 -0.151 0.000 2.349 966 L HA 0.780 5.118 4.340 -0.003 0.000 0.275 966 L C 0.158 176.708 176.870 -0.533 0.000 1.115 966 L CA 0.061 54.668 54.840 -0.388 0.000 0.820 966 L CB 1.087 42.783 42.059 -0.604 0.000 1.135 966 L HN 0.870 nan 8.230 nan 0.000 0.445 967 G N 2.886 111.224 108.800 -0.771 0.000 2.574 967 G HA2 0.763 4.722 3.960 -0.003 0.000 0.299 967 G HA3 0.763 4.722 3.960 -0.003 0.000 0.299 967 G C -1.692 172.849 174.900 -0.599 0.000 1.298 967 G CA -0.301 44.295 45.100 -0.840 0.000 0.952 967 G HN 0.855 nan 8.290 nan 0.000 0.477 968 A N 0.385 123.051 122.820 -0.257 0.000 2.469 968 A HA 0.922 5.241 4.320 -0.003 0.000 0.299 968 A C -0.706 176.763 177.584 -0.191 0.000 1.098 968 A CA -0.596 51.320 52.037 -0.202 0.000 0.737 968 A CB 2.380 21.223 19.000 -0.262 0.000 1.312 968 A HN 0.898 nan 8.150 nan 0.000 0.414 969 E N 0.774 120.850 120.200 -0.207 0.000 2.412 969 E HA 0.185 4.533 4.350 -0.003 0.000 0.279 969 E C -0.493 175.965 176.600 -0.235 0.000 0.984 969 E CA -0.665 55.670 56.400 -0.109 0.000 0.788 969 E CB 0.890 30.676 29.700 0.144 0.000 1.277 969 E HN 0.682 nan 8.360 nan 0.000 0.455 970 N N 0.881 119.535 118.700 -0.076 0.000 2.242 970 N HA -0.238 4.501 4.740 -0.003 0.000 0.193 970 N C 0.810 176.028 175.510 -0.487 0.000 1.000 970 N CA 1.755 54.761 53.050 -0.074 0.000 0.885 970 N CB 0.040 38.541 38.487 0.023 0.000 0.988 970 N HN 0.475 nan 8.380 nan 0.000 0.444 971 A N -0.494 122.006 122.820 -0.534 0.000 2.545 971 A HA 0.311 4.629 4.320 -0.003 0.000 0.277 971 A C 0.011 177.147 177.584 -0.747 0.000 1.301 971 A CA -0.509 51.082 52.037 -0.744 0.000 0.935 971 A CB -0.596 18.155 19.000 -0.415 0.000 1.093 971 A HN 0.360 nan 8.150 nan 0.000 0.519 972 F N -1.449 118.386 119.950 -0.192 0.000 3.057 972 F HA -0.239 4.286 4.527 -0.003 0.000 0.287 972 F C 0.256 175.705 175.800 -0.586 0.000 0.834 972 F CA 0.383 58.175 58.000 -0.347 0.000 1.147 972 F CB -2.388 36.444 39.000 -0.280 0.000 1.245 972 F HN 0.391 nan 8.300 nan 0.000 0.509 973 N N 1.578 120.027 118.700 -0.417 0.000 2.456 973 N HA 0.710 5.449 4.740 -0.003 0.000 0.296 973 N C -0.121 175.317 175.510 -0.119 0.000 1.102 973 N CA -0.558 52.265 53.050 -0.379 0.000 0.924 973 N CB 2.038 40.060 38.487 -0.775 0.000 1.186 973 N HN 0.125 nan 8.380 nan 0.000 0.492 974 L N 1.391 122.581 121.223 -0.055 0.000 2.334 974 L HA 0.630 4.969 4.340 -0.003 0.000 0.270 974 L C -0.662 176.332 176.870 0.207 0.000 1.018 974 L CA -0.930 53.862 54.840 -0.080 0.000 0.811 974 L CB 0.847 42.693 42.059 -0.354 0.000 1.271 974 L HN 0.563 nan 8.230 nan 0.000 0.443 975 F N -0.217 119.800 119.950 0.113 0.000 2.665 975 F HA 0.646 5.172 4.527 -0.003 0.000 0.308 975 F C -1.618 174.296 175.800 0.190 0.000 1.112 975 F CA -1.056 57.072 58.000 0.214 0.000 0.972 975 F CB 1.025 40.131 39.000 0.176 0.000 1.295 975 F HN -0.026 nan 8.300 nan 0.000 0.440 976 V N 2.531 122.701 119.914 0.427 0.000 2.357 976 V HA 0.401 4.519 4.120 -0.003 0.000 0.284 976 V C -0.413 175.827 176.094 0.242 0.000 1.018 976 V CA -0.606 61.808 62.300 0.189 0.000 0.841 976 V CB 1.104 32.927 31.823 0.000 0.000 0.991 976 V HN 1.067 nan 8.190 nan 0.000 0.437 977 C N 4.834 124.299 119.300 0.274 0.000 2.350 977 C HA 0.664 5.123 4.460 -0.003 0.000 0.348 977 C C 0.142 175.194 174.990 0.103 0.000 1.260 977 C CA -0.294 58.889 59.018 0.275 0.000 1.966 977 C CB 0.907 28.915 27.740 0.446 0.000 2.380 977 C HN 0.941 nan 8.230 nan 0.000 0.535 978 Q N 2.441 122.276 119.800 0.057 0.000 2.389 978 Q HA 0.428 4.766 4.340 -0.003 0.000 0.277 978 Q C -1.255 174.776 176.000 0.051 0.000 1.082 978 Q CA -0.589 55.167 55.803 -0.078 0.000 0.810 978 Q CB 1.538 30.197 28.738 -0.132 0.000 1.374 978 Q HN 0.817 nan 8.270 nan 0.000 0.422 979 K N 1.890 122.322 120.400 0.054 0.000 2.234 979 K HA 0.235 4.553 4.320 -0.003 0.000 0.282 979 K C -0.494 176.136 176.600 0.049 0.000 1.039 979 K CA -0.736 55.618 56.287 0.112 0.000 0.928 979 K CB 0.938 33.536 32.500 0.163 0.000 1.039 979 K HN 0.425 nan 8.250 nan 0.000 0.470 980 D N 1.627 122.063 120.400 0.061 0.000 2.488 980 D HA -0.068 4.570 4.640 -0.003 0.000 0.238 980 D C -0.643 175.669 176.300 0.019 0.000 1.138 980 D CA 0.420 54.439 54.000 0.030 0.000 0.873 980 D CB 0.899 41.721 40.800 0.037 0.000 1.183 980 D HN 0.542 nan 8.370 nan 0.000 0.458 981 S N 1.562 117.262 115.700 -0.001 0.000 2.694 981 S HA 0.594 5.063 4.470 -0.003 0.000 0.211 981 S C -0.503 174.094 174.600 -0.005 0.000 1.328 981 S CA -0.254 57.944 58.200 -0.004 0.000 1.236 981 S CB -0.416 62.775 63.200 -0.016 0.000 1.121 981 S HN 0.581 nan 8.310 nan 0.000 0.517 982 A N 0.951 123.770 122.820 -0.001 0.000 2.557 982 A HA 0.907 5.226 4.320 -0.003 0.000 0.292 982 A C -0.108 177.474 177.584 -0.003 0.000 1.139 982 A CA -0.403 51.630 52.037 -0.005 0.000 0.665 982 A CB 0.120 19.114 19.000 -0.011 0.000 1.285 982 A HN 0.636 nan 8.150 nan 0.000 0.433 983 A N -0.219 122.595 122.820 -0.008 0.000 2.307 983 A HA 0.505 4.823 4.320 -0.003 0.000 0.271 983 A C 1.409 178.988 177.584 -0.009 0.000 1.188 983 A CA 1.467 53.499 52.037 -0.008 0.000 0.810 983 A CB -0.955 18.038 19.000 -0.012 0.000 1.123 983 A HN 2.798 nan 8.150 nan 0.000 0.509 984 T N -1.928 112.620 114.554 -0.009 0.000 3.852 984 T HA -0.209 4.140 4.350 -0.003 0.000 0.361 984 T C 0.383 175.084 174.700 0.002 0.000 0.759 984 T CA 1.458 63.553 62.100 -0.008 0.000 1.899 984 T CB -2.865 65.991 68.868 -0.019 0.000 1.822 984 T HN 2.183 nan 8.240 nan 0.000 0.778 985 T N -0.811 113.748 114.554 0.008 0.000 4.750 985 T HA 0.325 4.674 4.350 -0.003 0.000 0.216 985 T C 0.356 175.072 174.700 0.026 0.000 0.791 985 T CA 0.240 62.352 62.100 0.020 0.000 1.057 985 T CB -0.091 68.788 68.868 0.017 0.000 1.433 985 T HN 0.601 nan 8.240 nan 0.000 1.019 986 D N -0.417 120.002 120.400 0.032 0.000 3.137 986 D HA 0.052 4.691 4.640 -0.003 0.000 0.308 986 D C 0.504 176.830 176.300 0.045 0.000 1.531 986 D CA 0.049 54.070 54.000 0.035 0.000 0.899 986 D CB 0.499 41.311 40.800 0.020 0.000 1.670 986 D HN 0.557 nan 8.370 nan 0.000 0.425 987 E N -0.171 120.063 120.200 0.057 0.000 2.201 987 E HA 0.051 4.400 4.350 -0.003 0.000 0.271 987 E C 0.533 177.174 176.600 0.070 0.000 1.080 987 E CA 0.306 56.743 56.400 0.061 0.000 1.952 987 E CB -0.189 29.513 29.700 0.004 0.000 3.129 987 E HN -0.012 nan 8.360 nan 0.000 1.052 988 E N 0.341 120.540 120.200 -0.003 0.000 2.338 988 E HA -0.085 4.263 4.350 -0.003 0.000 0.197 988 E C 1.623 178.269 176.600 0.076 0.000 1.007 988 E CA 0.831 57.217 56.400 -0.024 0.000 0.849 988 E CB 0.101 29.772 29.700 -0.049 0.000 0.774 988 E HN -0.064 nan 8.360 nan 0.000 0.506 989 R N 0.624 121.180 120.500 0.093 0.000 2.200 989 R HA -0.027 4.311 4.340 -0.003 0.000 0.208 989 R C 1.765 178.159 176.300 0.156 0.000 1.033 989 R CA 0.851 57.015 56.100 0.106 0.000 1.000 989 R CB 0.137 30.482 30.300 0.074 0.000 0.906 989 R HN -0.043 nan 8.270 nan 0.000 0.462 990 Q N -0.698 119.227 119.800 0.208 0.000 2.435 990 Q HA 0.039 4.378 4.340 -0.003 0.000 0.207 990 Q C -0.407 175.788 176.000 0.326 0.000 0.956 990 Q CA 0.842 56.793 55.803 0.245 0.000 0.917 990 Q CB 0.253 29.154 28.738 0.271 0.000 0.997 990 Q HN 0.395 nan 8.270 nan 0.000 0.497 991 H N 0.399 119.600 119.070 0.218 0.000 2.623 991 H HA 0.218 4.772 4.556 -0.003 0.000 0.299 991 H C -0.626 174.809 175.328 0.178 0.000 1.052 991 H CA -0.752 55.456 56.048 0.268 0.000 1.231 991 H CB 0.452 30.261 29.762 0.078 0.000 1.389 991 H HN 0.064 nan 8.280 nan 0.000 0.469 992 L N 1.736 123.107 121.223 0.246 0.000 2.466 992 L HA 0.389 4.727 4.340 -0.003 0.000 0.257 992 L C 0.184 177.160 176.870 0.177 0.000 1.189 992 L CA -0.474 54.489 54.840 0.205 0.000 0.813 992 L CB 0.452 42.654 42.059 0.239 0.000 1.118 992 L HN 0.444 nan 8.230 nan 0.000 0.471 993 Q N -0.223 119.654 119.800 0.129 0.000 2.347 993 Q HA 0.313 4.652 4.340 -0.003 0.000 0.271 993 Q C -1.274 174.758 176.000 0.053 0.000 1.064 993 Q CA -0.610 55.240 55.803 0.078 0.000 0.800 993 Q CB 2.308 31.074 28.738 0.047 0.000 1.304 993 Q HN 0.565 nan 8.270 nan 0.000 0.438 994 E N 2.664 122.873 120.200 0.016 0.000 1.939 994 E HA -0.030 4.319 4.350 -0.003 0.000 0.259 994 E C 0.861 177.459 176.600 -0.003 0.000 1.259 994 E CA 0.097 56.501 56.400 0.006 0.000 0.971 994 E CB 0.187 29.812 29.700 -0.125 0.000 1.055 994 E HN 0.483 nan 8.360 nan 0.000 0.420 995 V N 0.829 120.745 119.914 0.004 0.000 2.951 995 V HA 0.163 4.281 4.120 -0.003 0.000 0.255 995 V C 0.908 176.982 176.094 -0.033 0.000 1.088 995 V CA 0.746 63.015 62.300 -0.051 0.000 1.109 995 V CB 0.117 31.866 31.823 -0.123 0.000 0.724 995 V HN 0.423 nan 8.190 nan 0.000 0.471 996 G N 0.102 108.939 108.800 0.062 0.000 2.638 996 G HA2 0.729 4.688 3.960 -0.003 0.000 0.302 996 G HA3 0.729 4.688 3.960 -0.003 0.000 0.302 996 G C -1.479 173.676 174.900 0.425 0.000 1.365 996 G CA -0.677 44.541 45.100 0.197 0.000 0.987 996 G HN 0.219 nan 8.290 nan 0.000 0.495 997 L N 0.608 122.134 121.223 0.505 0.000 2.376 997 L HA 0.827 5.166 4.340 -0.003 0.000 0.258 997 L C -1.304 175.841 176.870 0.459 0.000 1.013 997 L CA -1.013 54.066 54.840 0.399 0.000 0.822 997 L CB 2.912 45.031 42.059 0.100 0.000 1.388 997 L HN 0.581 nan 8.230 nan 0.000 0.413 998 F N 0.354 120.361 119.950 0.094 0.000 2.656 998 F HA 0.191 4.717 4.527 -0.002 0.000 0.317 998 F C -1.107 174.564 175.800 -0.214 0.000 1.016 998 F CA -0.542 57.346 58.000 -0.187 0.000 1.097 998 F CB 0.695 39.241 39.000 -0.756 0.000 1.360 998 F HN 0.517 nan 8.300 nan 0.000 0.593 999 H N 7.005 125.577 119.070 -0.830 0.000 2.934 999 H HA 0.305 4.859 4.556 -0.003 0.000 0.273 999 H C 0.458 175.187 175.328 -0.999 0.000 1.121 999 H CA 0.157 55.731 56.048 -0.791 0.000 1.451 999 H CB 1.016 30.291 29.762 -0.812 0.000 1.469 999 H HN 0.758 nan 8.280 nan 0.000 0.476 1000 L N 4.196 125.030 121.223 -0.647 0.000 2.249 1000 L HA 0.142 4.480 4.340 -0.003 0.000 0.207 1000 L C 1.273 178.005 176.870 -0.229 0.000 1.090 1000 L CA 1.600 56.314 54.840 -0.210 0.000 0.802 1000 L CB -0.487 41.526 42.059 -0.077 0.000 0.947 1000 L HN 1.041 nan 8.230 nan 0.000 0.453 1001 G N 0.408 108.951 108.800 -0.429 0.000 2.162 1001 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.260 1001 G HA3 -0.218 3.740 3.960 -0.003 0.000 0.260 1001 G C 0.068 174.931 174.900 -0.061 0.000 0.976 1001 G CA 0.434 45.493 45.100 -0.068 0.000 0.655 1001 G HN 0.461 nan 8.290 nan 0.000 0.533 1002 E N -1.233 118.955 120.200 -0.020 0.000 2.339 1002 E HA 0.663 5.011 4.350 -0.003 0.000 0.262 1002 E C -1.036 175.671 176.600 0.178 0.000 0.934 1002 E CA -1.134 55.282 56.400 0.027 0.000 0.802 1002 E CB 1.429 31.192 29.700 0.105 0.000 1.275 1002 E HN 0.164 nan 8.360 nan 0.000 0.427 1003 F N 1.622 121.621 119.950 0.081 0.000 2.332 1003 F HA 0.263 4.788 4.527 -0.002 0.000 0.368 1003 F C -0.562 175.235 175.800 -0.005 0.000 1.110 1003 F CA -0.682 57.411 58.000 0.155 0.000 1.087 1003 F CB 0.639 39.769 39.000 0.217 0.000 1.235 1003 F HN 0.029 nan 8.300 nan 0.000 0.470 1004 V N 6.859 126.539 119.914 -0.391 0.000 2.530 1004 V HA 0.126 4.245 4.120 -0.003 0.000 0.282 1004 V C 0.433 176.280 176.094 -0.411 0.000 1.048 1004 V CA -0.262 61.800 62.300 -0.397 0.000 0.997 1004 V CB 1.139 32.550 31.823 -0.686 0.000 0.987 1004 V HN 0.760 nan 8.190 nan 0.000 0.477 1005 N N 2.268 120.838 118.700 -0.218 0.000 2.348 1005 N HA 0.166 4.905 4.740 -0.003 0.000 0.183 1005 N C -0.267 175.107 175.510 -0.228 0.000 1.094 1005 N CA 0.512 53.478 53.050 -0.141 0.000 0.885 1005 N CB 1.761 40.260 38.487 0.021 0.000 1.065 1005 N HN 0.503 nan 8.380 nan 0.000 0.472 1006 V N 0.876 120.600 119.914 -0.316 0.000 2.789 1006 V HA 0.446 4.564 4.120 -0.003 0.000 0.300 1006 V C -1.837 174.075 176.094 -0.303 0.000 1.184 1006 V CA -0.777 61.376 62.300 -0.244 0.000 0.930 1006 V CB 0.829 32.614 31.823 -0.063 0.000 1.041 1006 V HN -0.080 nan 8.190 nan 0.000 0.430 1007 F N 5.593 125.551 119.950 0.015 0.000 2.432 1007 F HA 0.873 5.398 4.527 -0.002 0.000 0.329 1007 F C 0.431 176.239 175.800 0.013 0.000 1.076 1007 F CA -0.247 57.768 58.000 0.025 0.000 1.018 1007 F CB 1.801 40.776 39.000 -0.041 0.000 1.201 1007 F HN 0.880 nan 8.300 nan 0.000 0.489 1008 C N -0.016 119.401 119.300 0.196 0.000 3.113 1008 C HA 0.378 4.837 4.460 -0.003 0.000 0.376 1008 C C -0.845 174.188 174.990 0.071 0.000 1.077 1008 C CA -1.056 58.043 59.018 0.135 0.000 1.253 1008 C CB 0.409 28.235 27.740 0.144 0.000 1.637 1008 C HN 0.862 nan 8.230 nan 0.000 0.535 1009 H N 1.559 120.696 119.070 0.111 0.000 3.001 1009 H HA 0.489 5.043 4.556 -0.002 0.000 0.334 1009 H C 0.819 176.191 175.328 0.072 0.000 1.034 1009 H CA 2.318 58.414 56.048 0.082 0.000 1.420 1009 H CB 0.933 30.734 29.762 0.065 0.000 1.405 1009 H HN 1.395 nan 8.280 nan 0.000 0.593 1010 G N 0.765 109.655 108.800 0.151 0.000 2.350 1010 G HA2 0.247 4.205 3.960 -0.003 0.000 0.305 1010 G HA3 0.247 4.205 3.960 -0.003 0.000 0.305 1010 G C -1.459 173.482 174.900 0.068 0.000 1.479 1010 G CA -0.300 44.861 45.100 0.102 0.000 0.949 1010 G HN 0.649 nan 8.290 nan 0.000 0.651 1011 S N -1.050 114.681 115.700 0.052 0.000 2.564 1011 S HA 0.635 5.103 4.470 -0.003 0.000 0.274 1011 S C 0.409 175.028 174.600 0.031 0.000 1.124 1011 S CA -0.751 57.472 58.200 0.039 0.000 0.869 1011 S CB 1.445 64.666 63.200 0.035 0.000 1.105 1011 S HN 0.920 nan 8.310 nan 0.000 0.472 1012 L N 3.629 124.869 121.223 0.029 0.000 2.653 1012 L HA 0.281 4.619 4.340 -0.003 0.000 0.232 1012 L C 0.720 177.600 176.870 0.018 0.000 1.169 1012 L CA -0.049 54.806 54.840 0.024 0.000 0.951 1012 L CB -0.123 41.951 42.059 0.025 0.000 1.181 1012 L HN 0.482 nan 8.230 nan 0.000 0.460 1013 V N -1.424 118.498 119.914 0.013 0.000 2.721 1013 V HA 0.090 4.208 4.120 -0.003 0.000 0.236 1013 V C 1.160 177.249 176.094 -0.009 0.000 1.116 1013 V CA -0.049 62.250 62.300 -0.002 0.000 1.148 1013 V CB 0.105 31.924 31.823 -0.006 0.000 0.886 1013 V HN 0.330 nan 8.190 nan 0.000 0.490 1014 M N 1.426 121.023 119.600 -0.005 0.000 2.189 1014 M HA -0.038 4.441 4.480 -0.003 0.000 0.319 1014 M C 0.302 176.594 176.300 -0.013 0.000 0.991 1014 M CA 0.651 55.945 55.300 -0.010 0.000 1.000 1014 M CB -0.221 32.378 32.600 -0.002 0.000 1.542 1014 M HN 0.333 nan 8.290 nan 0.000 0.442 1024 T N -1.537 112.812 114.554 -0.342 0.000 2.937 1024 T HA 0.742 5.090 4.350 -0.003 0.000 0.283 1024 T C -0.357 174.229 174.700 -0.190 0.000 1.012 1024 T CA -0.759 61.131 62.100 -0.350 0.000 0.997 1024 T CB 2.045 70.623 68.868 -0.483 0.000 1.136 1024 T HN 0.440 nan 8.240 nan 0.000 0.551 1025 Q N -0.039 119.673 119.800 -0.147 0.000 2.322 1025 Q HA 0.593 4.931 4.340 -0.003 0.000 0.265 1025 Q C -0.080 175.891 176.000 -0.050 0.000 0.985 1025 Q CA 0.576 56.333 55.803 -0.078 0.000 0.849 1025 Q CB 0.735 29.440 28.738 -0.055 0.000 1.274 1025 Q HN 1.526 nan 8.270 nan 0.000 0.449 1026 G N 1.599 110.385 108.800 -0.023 0.000 2.555 1026 G HA2 0.253 4.211 3.960 -0.003 0.000 0.686 1026 G HA3 0.253 4.211 3.960 -0.003 0.000 0.686 1026 G C -1.021 173.892 174.900 0.021 0.000 1.275 1026 G CA -0.433 44.673 45.100 0.011 0.000 0.871 1026 G HN 1.289 nan 8.290 nan 0.000 0.603 1027 S N -0.991 114.739 115.700 0.050 0.000 2.333 1027 S HA 0.499 4.967 4.470 -0.003 0.000 0.250 1027 S C -1.051 173.571 174.600 0.038 0.000 0.959 1027 S CA 0.093 58.322 58.200 0.049 0.000 1.037 1027 S CB 1.000 64.231 63.200 0.051 0.000 1.215 1027 S HN 1.746 nan 8.310 nan 0.000 0.410 1028 V N 6.418 126.342 119.914 0.017 0.000 2.407 1028 V HA 0.514 4.632 4.120 -0.003 0.000 0.291 1028 V C -0.072 176.080 176.094 0.097 0.000 1.018 1028 V CA -0.548 61.741 62.300 -0.018 0.000 0.842 1028 V CB 1.507 33.248 31.823 -0.137 0.000 0.996 1028 V HN 0.824 nan 8.190 nan 0.000 0.426 1029 L N 5.871 127.141 121.223 0.078 0.000 2.399 1029 L HA 0.650 4.988 4.340 -0.003 0.000 0.266 1029 L C -0.418 176.551 176.870 0.165 0.000 1.114 1029 L CA -0.299 54.563 54.840 0.036 0.000 0.804 1029 L CB 1.001 43.051 42.059 -0.014 0.000 1.146 1029 L HN 0.715 nan 8.230 nan 0.000 0.451 1030 F N -0.565 119.405 119.950 0.034 0.000 2.601 1030 F HA 0.865 5.390 4.527 -0.003 0.000 0.309 1030 F C -0.280 175.456 175.800 -0.106 0.000 1.089 1030 F CA -0.915 57.044 58.000 -0.069 0.000 0.940 1030 F CB 1.343 40.279 39.000 -0.106 0.000 1.273 1030 F HN 0.371 nan 8.300 nan 0.000 0.450 1031 G N 0.659 109.505 108.800 0.076 0.000 2.481 1031 G HA2 0.635 4.593 3.960 -0.003 0.000 0.315 1031 G HA3 0.635 4.593 3.960 -0.003 0.000 0.315 1031 G C -1.636 173.304 174.900 0.066 0.000 1.231 1031 G CA -0.957 44.154 45.100 0.018 0.000 0.968 1031 G HN 0.811 nan 8.290 nan 0.000 0.482 1032 T N 0.340 114.934 114.554 0.066 0.000 2.916 1032 T HA 0.321 4.670 4.350 -0.003 0.000 0.292 1032 T C 1.356 176.106 174.700 0.083 0.000 1.064 1032 T CA -0.453 61.710 62.100 0.105 0.000 1.011 1032 T CB 2.020 70.957 68.868 0.115 0.000 1.152 1032 T HN 0.155 nan 8.240 nan 0.000 0.510 1033 V N 1.797 121.786 119.914 0.126 0.000 2.307 1033 V HA -0.141 3.978 4.120 -0.003 0.000 0.245 1033 V C 2.036 178.142 176.094 0.020 0.000 1.045 1033 V CA 1.885 64.224 62.300 0.066 0.000 1.024 1033 V CB -0.685 31.170 31.823 0.053 0.000 0.651 1033 V HN 0.799 nan 8.190 nan 0.000 0.449 1034 N N -0.014 118.700 118.700 0.023 0.000 2.573 1034 N HA 0.062 4.801 4.740 -0.003 0.000 0.187 1034 N C 1.131 176.643 175.510 0.003 0.000 1.107 1034 N CA 0.641 53.693 53.050 0.003 0.000 0.918 1034 N CB 0.104 38.590 38.487 -0.003 0.000 0.966 1034 N HN 0.605 nan 8.380 nan 0.000 0.448 1035 G N 0.699 109.503 108.800 0.007 0.000 2.165 1035 G HA2 -0.246 3.712 3.960 -0.003 0.000 0.226 1035 G HA3 -0.246 3.712 3.960 -0.003 0.000 0.226 1035 G C 0.559 175.449 174.900 -0.017 0.000 1.035 1035 G CA 0.175 45.268 45.100 -0.012 0.000 0.744 1035 G HN 0.213 nan 8.290 nan 0.000 0.501 1036 M N 0.210 119.808 119.600 -0.003 0.000 2.216 1036 M HA 0.293 4.771 4.480 -0.003 0.000 0.264 1036 M C 1.304 177.546 176.300 -0.097 0.000 1.080 1036 M CA 1.814 57.104 55.300 -0.017 0.000 1.153 1036 M CB -0.383 32.243 32.600 0.044 0.000 1.356 1036 M HN 0.887 nan 8.290 nan 0.000 0.432 1037 I N 1.096 121.571 120.570 -0.159 0.000 8.192 1037 I HA -0.212 3.956 4.170 -0.003 0.000 0.126 1037 I C 0.105 175.889 176.117 -0.554 0.000 1.847 1037 I CA 0.241 61.349 61.300 -0.320 0.000 2.049 1037 I CB -1.816 36.065 38.000 -0.199 0.000 3.776 1037 I HN 0.479 nan 8.210 nan 0.000 0.173 1038 G N 5.363 113.388 108.800 -1.291 0.000 2.667 1038 G HA2 0.890 4.848 3.960 -0.003 0.000 0.310 1038 G HA3 0.890 4.848 3.960 -0.003 0.000 0.310 1038 G C -1.284 173.078 174.900 -0.898 0.000 1.259 1038 G CA -0.758 43.452 45.100 -1.484 0.000 1.019 1038 G HN 0.584 nan 8.290 nan 0.000 0.496 1039 L N -0.398 120.614 121.223 -0.352 0.000 2.445 1039 L HA 0.798 5.136 4.340 -0.003 0.000 0.262 1039 L C -1.180 175.776 176.870 0.143 0.000 0.974 1039 L CA -0.758 54.051 54.840 -0.051 0.000 0.822 1039 L CB 2.319 44.355 42.059 -0.038 0.000 1.339 1039 L HN 0.406 nan 8.230 nan 0.000 0.409 1040 V N 2.951 122.970 119.914 0.176 0.000 2.709 1040 V HA 0.866 4.984 4.120 -0.003 0.000 0.308 1040 V C -0.531 175.629 176.094 0.109 0.000 1.062 1040 V CA -0.241 62.164 62.300 0.175 0.000 0.901 1040 V CB 2.274 34.204 31.823 0.179 0.000 1.003 1040 V HN 0.949 nan 8.190 nan 0.000 0.425 1041 T N 1.180 115.805 114.554 0.118 0.000 2.864 1041 T HA 0.540 4.888 4.350 -0.003 0.000 0.299 1041 T C -0.511 174.208 174.700 0.032 0.000 1.166 1041 T CA -0.781 61.354 62.100 0.058 0.000 1.007 1041 T CB 1.886 70.779 68.868 0.041 0.000 1.219 1041 T HN 0.552 nan 8.240 nan 0.000 0.506 1042 S N 0.726 116.415 115.700 -0.017 0.000 2.616 1042 S HA 0.737 5.206 4.470 -0.003 0.000 0.277 1042 S C -0.020 174.563 174.600 -0.028 0.000 1.234 1042 S CA -0.812 57.372 58.200 -0.025 0.000 1.028 1042 S CB 0.713 63.887 63.200 -0.042 0.000 0.988 1042 S HN 0.524 nan 8.310 nan 0.000 0.522 1043 L N 0.688 121.934 121.223 0.038 0.000 2.808 1043 L HA 0.712 5.050 4.340 -0.003 0.000 0.222 1043 L C -0.190 176.738 176.870 0.095 0.000 2.023 1043 L CA -0.644 54.209 54.840 0.021 0.000 2.647 1043 L CB 0.569 42.709 42.059 0.136 0.000 2.689 1043 L HN 0.841 nan 8.230 nan 0.000 0.616 1044 S N -1.537 114.246 115.700 0.138 0.000 2.556 1044 S HA 0.151 4.620 4.470 -0.003 0.000 0.280 1044 S C 0.118 174.649 174.600 -0.114 0.000 1.141 1044 S CA -0.390 57.882 58.200 0.120 0.000 0.883 1044 S CB 1.444 64.745 63.200 0.168 0.000 1.103 1044 S HN 0.668 nan 8.310 nan 0.000 0.453 1045 E N 3.143 123.101 120.200 -0.403 0.000 2.598 1045 E HA -0.432 3.916 4.350 -0.003 0.000 0.250 1045 E C 1.735 178.201 176.600 -0.224 0.000 1.037 1045 E CA 3.063 59.181 56.400 -0.471 0.000 1.274 1045 E CB -1.827 27.805 29.700 -0.113 0.000 1.177 1045 E HN 1.102 nan 8.360 nan 0.000 0.490 1046 S N 0.247 115.893 115.700 -0.090 0.000 2.354 1046 S HA -0.199 4.269 4.470 -0.003 0.000 0.219 1046 S C 2.045 176.568 174.600 -0.129 0.000 1.035 1046 S CA 1.757 59.877 58.200 -0.134 0.000 1.037 1046 S CB -1.271 61.806 63.200 -0.205 0.000 0.956 1046 S HN 0.499 nan 8.310 nan 0.000 0.428 1047 W N 0.970 122.218 121.300 -0.087 0.000 2.301 1047 W HA -0.143 4.515 4.660 -0.003 0.000 0.325 1047 W C 2.596 179.087 176.519 -0.048 0.000 1.250 1047 W CA 1.391 58.699 57.345 -0.063 0.000 1.261 1047 W CB -1.411 28.021 29.460 -0.047 0.000 1.157 1047 W HN 0.526 nan 8.180 nan 0.000 0.473 1048 Y N 1.735 122.077 120.300 0.070 0.000 2.151 1048 Y HA -0.349 4.200 4.550 -0.002 0.000 0.284 1048 Y C 2.242 178.134 175.900 -0.014 0.000 1.166 1048 Y CA 2.357 60.457 58.100 -0.000 0.000 1.163 1048 Y CB -0.845 37.504 38.460 -0.185 0.000 0.974 1048 Y HN -0.060 nan 8.280 nan 0.000 0.511 1049 N N 0.631 119.299 118.700 -0.054 0.000 2.080 1049 N HA -0.208 4.530 4.740 -0.003 0.000 0.189 1049 N C 2.112 177.542 175.510 -0.133 0.000 1.036 1049 N CA 1.447 54.429 53.050 -0.112 0.000 0.846 1049 N CB -0.687 37.784 38.487 -0.027 0.000 1.015 1049 N HN 0.470 nan 8.380 nan 0.000 0.423 1050 L N 1.443 122.597 121.223 -0.116 0.000 1.990 1050 L HA -0.179 4.159 4.340 -0.003 0.000 0.213 1050 L C 2.190 179.001 176.870 -0.099 0.000 1.072 1050 L CA 1.361 56.124 54.840 -0.128 0.000 0.755 1050 L CB -0.364 41.577 42.059 -0.197 0.000 0.889 1050 L HN 0.144 nan 8.230 nan 0.000 0.432 1051 L N -0.599 120.594 121.223 -0.051 0.000 2.083 1051 L HA -0.269 4.069 4.340 -0.003 0.000 0.209 1051 L C 2.572 179.394 176.870 -0.081 0.000 1.083 1051 L CA 0.976 55.811 54.840 -0.008 0.000 0.752 1051 L CB -0.395 41.740 42.059 0.126 0.000 0.899 1051 L HN 0.405 nan 8.230 nan 0.000 0.433 1052 L N -0.241 120.855 121.223 -0.211 0.000 2.083 1052 L HA -0.250 4.089 4.340 -0.003 0.000 0.209 1052 L C 2.381 179.181 176.870 -0.116 0.000 1.083 1052 L CA 1.404 56.099 54.840 -0.241 0.000 0.752 1052 L CB -0.328 41.452 42.059 -0.464 0.000 0.899 1052 L HN 0.391 nan 8.230 nan 0.000 0.433 1053 D N 0.036 120.374 120.400 -0.102 0.000 2.078 1053 D HA -0.284 4.354 4.640 -0.003 0.000 0.193 1053 D C 2.237 178.508 176.300 -0.048 0.000 0.990 1053 D CA 1.666 55.628 54.000 -0.063 0.000 0.827 1053 D CB -0.096 40.662 40.800 -0.069 0.000 0.975 1053 D HN 0.272 nan 8.370 nan 0.000 0.451 1054 M N 0.221 119.785 119.600 -0.060 0.000 2.195 1054 M HA -0.223 4.255 4.480 -0.003 0.000 0.260 1054 M C 2.278 178.566 176.300 -0.020 0.000 1.066 1054 M CA 1.408 56.678 55.300 -0.050 0.000 1.089 1054 M CB 0.010 32.560 32.600 -0.082 0.000 1.377 1054 M HN 0.108 nan 8.290 nan 0.000 0.411 1055 Q N -0.214 119.569 119.800 -0.028 0.000 2.030 1055 Q HA -0.214 4.125 4.340 -0.003 0.000 0.204 1055 Q C 1.619 177.600 176.000 -0.032 0.000 0.986 1055 Q CA 2.127 57.905 55.803 -0.042 0.000 0.843 1055 Q CB -0.364 28.350 28.738 -0.040 0.000 0.904 1055 Q HN 0.654 nan 8.270 nan 0.000 0.420 1056 N N 0.015 118.710 118.700 -0.009 0.000 2.166 1056 N HA -0.123 4.615 4.740 -0.003 0.000 0.186 1056 N C 1.746 177.270 175.510 0.024 0.000 1.019 1056 N CA 0.901 53.960 53.050 0.015 0.000 0.856 1056 N CB 0.030 38.531 38.487 0.022 0.000 0.993 1056 N HN 0.131 nan 8.380 nan 0.000 0.426 1057 R N 0.559 121.071 120.500 0.021 0.000 2.073 1057 R HA -0.048 4.291 4.340 -0.003 0.000 0.234 1057 R C 2.104 178.435 176.300 0.052 0.000 1.134 1057 R CA 0.871 56.992 56.100 0.035 0.000 0.952 1057 R CB -0.641 29.678 30.300 0.032 0.000 0.850 1057 R HN 0.229 nan 8.270 nan 0.000 0.433 1058 L N 1.333 122.589 121.223 0.054 0.000 2.127 1058 L HA -0.224 4.115 4.340 -0.003 0.000 0.211 1058 L C 1.867 178.776 176.870 0.065 0.000 1.089 1058 L CA 1.065 55.950 54.840 0.076 0.000 0.757 1058 L CB -0.363 41.738 42.059 0.070 0.000 0.899 1058 L HN 0.251 nan 8.230 nan 0.000 0.434 1059 N N 0.045 118.771 118.700 0.042 0.000 2.084 1059 N HA -0.186 4.552 4.740 -0.003 0.000 0.190 1059 N C 1.728 177.290 175.510 0.087 0.000 1.030 1059 N CA 1.276 54.369 53.050 0.072 0.000 0.849 1059 N CB -0.136 38.392 38.487 0.069 0.000 1.012 1059 N HN 0.335 nan 8.380 nan 0.000 0.423 1060 K N 0.448 120.889 120.400 0.068 0.000 2.097 1060 K HA -0.015 4.304 4.320 -0.003 0.000 0.205 1060 K C 1.976 178.609 176.600 0.054 0.000 1.050 1060 K CA 0.664 56.987 56.287 0.060 0.000 0.938 1060 K CB 0.065 32.595 32.500 0.050 0.000 0.718 1060 K HN -0.016 nan 8.250 nan 0.000 0.442 1061 V N 2.039 121.988 119.914 0.058 0.000 2.239 1061 V HA -0.134 3.984 4.120 -0.003 0.000 0.242 1061 V C 1.472 177.593 176.094 0.046 0.000 1.038 1061 V CA 0.966 63.296 62.300 0.051 0.000 1.002 1061 V CB -0.295 31.565 31.823 0.062 0.000 0.641 1061 V HN 0.202 nan 8.190 nan 0.000 0.449 1062 I N 2.644 123.251 120.570 0.062 0.000 2.683 1062 I HA 0.007 4.175 4.170 -0.003 0.000 0.286 1062 I C 0.601 176.741 176.117 0.039 0.000 1.175 1062 I CA 0.335 61.668 61.300 0.055 0.000 1.429 1062 I CB 0.148 38.204 38.000 0.093 0.000 1.371 1062 I HN 0.422 nan 8.210 nan 0.000 0.569 1063 K N 5.106 125.505 120.400 -0.003 0.000 2.312 1063 K HA 0.354 4.672 4.320 -0.003 0.000 0.287 1063 K C -0.266 176.285 176.600 -0.082 0.000 1.062 1063 K CA -0.503 55.764 56.287 -0.034 0.000 0.934 1063 K CB 1.031 33.503 32.500 -0.047 0.000 1.027 1063 K HN 0.608 nan 8.250 nan 0.000 0.478 1064 S N 2.179 117.817 115.700 -0.105 0.000 2.472 1064 S HA 0.165 4.633 4.470 -0.003 0.000 0.303 1064 S C 1.096 175.560 174.600 -0.227 0.000 1.099 1064 S CA -0.967 57.087 58.200 -0.242 0.000 1.077 1064 S CB 1.622 64.678 63.200 -0.240 0.000 1.031 1064 S HN 0.392 nan 8.310 nan 0.000 0.487 1065 V N 3.756 123.508 119.914 -0.270 0.000 2.217 1065 V HA -0.112 4.007 4.120 -0.003 0.000 0.248 1065 V C 2.294 178.289 176.094 -0.165 0.000 1.050 1065 V CA 2.508 64.695 62.300 -0.189 0.000 1.007 1065 V CB -1.167 30.547 31.823 -0.181 0.000 0.639 1065 V HN 1.066 nan 8.190 nan 0.000 0.452 1066 G N -1.157 107.540 108.800 -0.171 0.000 3.496 1066 G HA2 0.181 4.139 3.960 -0.003 0.000 0.273 1066 G HA3 0.181 4.139 3.960 -0.003 0.000 0.273 1066 G C 0.401 175.151 174.900 -0.251 0.000 1.279 1066 G CA -0.246 44.763 45.100 -0.151 0.000 1.041 1066 G HN 0.591 nan 8.290 nan 0.000 0.539 1067 K N -0.398 119.827 120.400 -0.291 0.000 3.419 1067 K HA -0.181 4.138 4.320 -0.003 0.000 0.272 1067 K C -0.394 176.121 176.600 -0.142 0.000 0.973 1067 K CA 0.376 56.466 56.287 -0.329 0.000 0.749 1067 K CB -1.259 30.764 32.500 -0.797 0.000 1.403 1067 K HN 0.417 nan 8.250 nan 0.000 0.456 1068 I N 1.172 121.731 120.570 -0.019 0.000 2.362 1068 I HA 0.115 4.284 4.170 -0.003 0.000 0.289 1068 I C 0.453 176.730 176.117 0.267 0.000 0.994 1068 I CA -0.970 60.388 61.300 0.097 0.000 1.158 1068 I CB 1.533 39.597 38.000 0.108 0.000 1.315 1068 I HN 0.059 nan 8.210 nan 0.000 0.451 1069 E N 4.031 124.365 120.200 0.224 0.000 2.406 1069 E HA -0.070 4.278 4.350 -0.003 0.000 0.258 1069 E C 0.983 177.772 176.600 0.315 0.000 1.043 1069 E CA 0.495 57.060 56.400 0.276 0.000 0.929 1069 E CB 0.217 30.052 29.700 0.226 0.000 0.969 1069 E HN 0.449 nan 8.360 nan 0.000 0.462 1070 H N 2.513 121.644 119.070 0.102 0.000 2.407 1070 H HA -0.249 4.305 4.556 -0.003 0.000 0.293 1070 H C 1.969 177.300 175.328 0.006 0.000 1.122 1070 H CA 2.356 58.272 56.048 -0.220 0.000 1.232 1070 H CB 0.274 29.856 29.762 -0.300 0.000 1.361 1070 H HN 0.466 nan 8.280 nan 0.000 0.498 1071 S N -1.203 114.618 115.700 0.202 0.000 2.368 1071 S HA -0.181 4.287 4.470 -0.003 0.000 0.225 1071 S C 1.903 176.557 174.600 0.090 0.000 1.030 1071 S CA 1.234 59.523 58.200 0.150 0.000 0.999 1071 S CB -0.581 62.726 63.200 0.179 0.000 0.844 1071 S HN 0.540 nan 8.310 nan 0.000 0.459 1072 F N 1.734 121.700 119.950 0.027 0.000 2.113 1072 F HA -0.037 4.489 4.527 -0.002 0.000 0.297 1072 F C 2.085 177.864 175.800 -0.035 0.000 1.103 1072 F CA 1.820 59.830 58.000 0.016 0.000 1.248 1072 F CB -0.602 38.435 39.000 0.062 0.000 0.999 1072 F HN 0.485 nan 8.300 nan 0.000 0.475 1073 W N 1.920 123.167 121.300 -0.090 0.000 2.352 1073 W HA -0.208 4.451 4.660 -0.002 0.000 0.322 1073 W C 1.747 177.993 176.519 -0.455 0.000 1.208 1073 W CA 1.165 58.356 57.345 -0.256 0.000 1.286 1073 W CB -0.544 28.818 29.460 -0.163 0.000 1.167 1073 W HN -0.137 nan 8.180 nan 0.000 0.469 1074 R N 1.398 121.326 120.500 -0.953 0.000 2.328 1074 R HA -0.061 4.278 4.340 -0.003 0.000 0.207 1074 R C 1.150 177.044 176.300 -0.678 0.000 1.056 1074 R CA 0.972 56.394 56.100 -1.130 0.000 1.016 1074 R CB -1.381 28.297 30.300 -1.037 0.000 0.872 1074 R HN 0.182 nan 8.270 nan 0.000 0.471 1075 S N 0.604 116.030 115.700 -0.457 0.000 2.533 1075 S HA 0.082 4.550 4.470 -0.003 0.000 0.282 1075 S C 0.091 174.595 174.600 -0.160 0.000 1.304 1075 S CA -0.792 57.267 58.200 -0.235 0.000 1.063 1075 S CB 0.346 63.442 63.200 -0.174 0.000 0.881 1075 S HN 0.214 nan 8.310 nan 0.000 0.493 1076 F N 3.656 123.524 119.950 -0.137 0.000 2.590 1076 F HA 0.225 4.750 4.527 -0.003 0.000 0.389 1076 F C 0.341 176.146 175.800 0.008 0.000 1.049 1076 F CA 0.503 58.480 58.000 -0.038 0.000 1.199 1076 F CB 0.164 39.158 39.000 -0.011 0.000 1.058 1076 F HN 0.892 nan 8.300 nan 0.000 0.556 1077 H N 4.235 123.140 119.070 -0.274 0.000 2.782 1077 H HA 0.488 5.042 4.556 -0.003 0.000 0.347 1077 H C -0.937 174.265 175.328 -0.210 0.000 1.038 1077 H CA -0.225 55.722 56.048 -0.168 0.000 1.255 1077 H CB 1.355 30.969 29.762 -0.247 0.000 1.623 1077 H HN 0.674 nan 8.280 nan 0.000 0.525 1078 T N 0.798 114.983 114.554 -0.614 0.000 2.858 1078 T HA 0.194 4.543 4.350 -0.003 0.000 0.285 1078 T C 0.917 175.325 174.700 -0.487 0.000 1.052 1078 T CA -0.822 61.005 62.100 -0.454 0.000 1.009 1078 T CB 1.606 70.385 68.868 -0.148 0.000 1.241 1078 T HN 0.555 nan 8.240 nan 0.000 0.542 1079 E N 0.073 120.140 120.200 -0.221 0.000 2.118 1079 E HA -0.140 4.208 4.350 -0.003 0.000 0.195 1079 E C 2.211 178.769 176.600 -0.070 0.000 0.992 1079 E CA 1.500 57.837 56.400 -0.105 0.000 0.804 1079 E CB -0.048 29.626 29.700 -0.044 0.000 0.741 1079 E HN 0.622 nan 8.360 nan 0.000 0.458 1080 R N -0.203 120.267 120.500 -0.051 0.000 2.066 1080 R HA 0.017 4.355 4.340 -0.003 0.000 0.224 1080 R C -0.085 176.214 176.300 -0.002 0.000 1.122 1080 R CA 1.144 57.241 56.100 -0.006 0.000 0.974 1080 R CB 0.151 30.467 30.300 0.027 0.000 0.871 1080 R HN -0.002 nan 8.270 nan 0.000 0.435 1081 K N -1.196 119.201 120.400 -0.004 0.000 2.509 1081 K HA 0.421 4.739 4.320 -0.003 0.000 0.266 1081 K C -1.487 175.154 176.600 0.070 0.000 0.987 1081 K CA -0.934 55.377 56.287 0.040 0.000 0.868 1081 K CB 2.158 34.691 32.500 0.056 0.000 1.421 1081 K HN -0.208 nan 8.250 nan 0.000 0.444 1082 T N 1.432 116.052 114.554 0.110 0.000 3.038 1082 T HA 0.260 4.609 4.350 -0.003 0.000 0.344 1082 T C -1.165 173.601 174.700 0.111 0.000 1.054 1082 T CA -0.863 61.329 62.100 0.153 0.000 1.092 1082 T CB 0.571 69.548 68.868 0.182 0.000 1.031 1082 T HN 0.414 nan 8.240 nan 0.000 0.482 1083 E N 3.181 123.459 120.200 0.130 0.000 2.248 1083 E HA 0.426 4.774 4.350 -0.003 0.000 0.272 1083 E C -2.409 174.237 176.600 0.076 0.000 1.008 1083 E CA -2.525 53.915 56.400 0.067 0.000 0.856 1083 E CB 1.173 30.867 29.700 -0.011 0.000 1.120 1083 E HN 0.258 nan 8.360 nan 0.000 0.397 1084 P HA 0.050 nan 4.420 nan 0.000 0.274 1084 P C -0.818 176.536 177.300 0.090 0.000 1.260 1084 P CA -0.169 62.968 63.100 0.062 0.000 0.793 1084 P CB 0.432 32.177 31.700 0.075 0.000 1.048 1085 A N 0.615 123.495 122.820 0.101 0.000 2.388 1085 A HA 0.561 4.880 4.320 -0.003 0.000 0.257 1085 A C 0.231 177.964 177.584 0.248 0.000 1.095 1085 A CA 0.319 52.468 52.037 0.187 0.000 0.791 1085 A CB -0.539 18.571 19.000 0.184 0.000 1.029 1085 A HN 0.620 nan 8.150 nan 0.000 0.489 1086 T N -1.711 113.033 114.554 0.316 0.000 2.903 1086 T HA 0.583 4.931 4.350 -0.003 0.000 0.299 1086 T C 0.694 175.603 174.700 0.350 0.000 1.093 1086 T CA 0.188 62.467 62.100 0.298 0.000 1.002 1086 T CB 1.248 70.217 68.868 0.168 0.000 1.127 1086 T HN 2.408 nan 8.240 nan 0.000 0.488 1087 G N 0.671 109.629 108.800 0.262 0.000 2.212 1087 G HA2 -0.226 3.733 3.960 -0.003 0.000 0.267 1087 G HA3 -0.226 3.733 3.960 -0.003 0.000 0.267 1087 G C -0.201 174.682 174.900 -0.029 0.000 1.002 1087 G CA 0.572 45.671 45.100 -0.001 0.000 0.729 1087 G HN 0.782 nan 8.290 nan 0.000 0.517 1088 F N -1.242 118.925 119.950 0.361 0.000 2.603 1088 F HA 0.795 5.321 4.527 -0.002 0.000 0.317 1088 F C 0.294 176.223 175.800 0.215 0.000 1.066 1088 F CA -1.123 56.990 58.000 0.189 0.000 0.941 1088 F CB 1.972 41.002 39.000 0.050 0.000 1.291 1088 F HN -0.054 nan 8.300 nan 0.000 0.472 1089 I N 1.976 122.692 120.570 0.243 0.000 2.610 1089 I HA 0.190 4.359 4.170 -0.003 0.000 0.289 1089 I C -1.574 174.475 176.117 -0.113 0.000 1.163 1089 I CA -0.869 60.509 61.300 0.130 0.000 1.044 1089 I CB 2.061 40.150 38.000 0.148 0.000 1.251 1089 I HN 0.449 nan 8.210 nan 0.000 0.424 1090 D N 5.794 126.237 120.400 0.072 0.000 2.365 1090 D HA 0.125 4.764 4.640 -0.003 0.000 0.237 1090 D C 1.305 177.534 176.300 -0.118 0.000 1.190 1090 D CA -0.541 53.451 54.000 -0.014 0.000 0.867 1090 D CB 1.397 42.381 40.800 0.306 0.000 1.050 1090 D HN 0.701 nan 8.370 nan 0.000 0.491 1091 G N 3.130 111.624 108.800 -0.510 0.000 2.606 1091 G HA2 -0.394 3.565 3.960 -0.003 0.000 0.223 1091 G HA3 -0.394 3.565 3.960 -0.003 0.000 0.223 1091 G C 1.079 176.046 174.900 0.112 0.000 1.106 1091 G CA 0.825 45.849 45.100 -0.127 0.000 0.745 1091 G HN 0.409 nan 8.290 nan 0.000 0.597 1092 D N -0.163 120.294 120.400 0.095 0.000 2.104 1092 D HA -0.083 4.556 4.640 -0.003 0.000 0.194 1092 D C 2.386 178.809 176.300 0.205 0.000 0.994 1092 D CA 0.395 54.498 54.000 0.170 0.000 0.830 1092 D CB -0.348 40.579 40.800 0.211 0.000 0.959 1092 D HN 0.278 nan 8.370 nan 0.000 0.452 1093 L N 0.257 121.607 121.223 0.211 0.000 2.056 1093 L HA -0.056 4.282 4.340 -0.003 0.000 0.207 1093 L C 2.107 179.075 176.870 0.163 0.000 1.078 1093 L CA 0.892 55.838 54.840 0.176 0.000 0.749 1093 L CB -0.125 41.973 42.059 0.066 0.000 0.901 1093 L HN 0.048 nan 8.230 nan 0.000 0.433 1094 I N -0.459 120.213 120.570 0.171 0.000 2.830 1094 I HA -0.225 3.943 4.170 -0.003 0.000 0.263 1094 I C 2.025 178.292 176.117 0.250 0.000 1.230 1094 I CA 0.800 62.221 61.300 0.203 0.000 1.480 1094 I CB 0.046 38.188 38.000 0.237 0.000 1.095 1094 I HN 0.314 nan 8.210 nan 0.000 0.455 1095 E N -0.081 120.266 120.200 0.245 0.000 2.276 1095 E HA -0.074 4.274 4.350 -0.003 0.000 0.193 1095 E C 2.025 178.755 176.600 0.216 0.000 0.983 1095 E CA 0.930 57.475 56.400 0.242 0.000 0.861 1095 E CB 0.136 29.977 29.700 0.233 0.000 0.817 1095 E HN 0.435 nan 8.360 nan 0.000 0.485 1096 S N 0.534 116.353 115.700 0.198 0.000 2.603 1096 S HA -0.100 4.368 4.470 -0.003 0.000 0.229 1096 S C 1.597 176.290 174.600 0.154 0.000 0.972 1096 S CA 0.009 58.299 58.200 0.151 0.000 0.935 1096 S CB -0.454 62.832 63.200 0.143 0.000 0.769 1096 S HN 0.303 nan 8.310 nan 0.000 0.536 1097 F N 2.686 122.682 119.950 0.075 0.000 2.171 1097 F HA 0.083 4.609 4.527 -0.002 0.000 0.300 1097 F C 1.632 177.465 175.800 0.054 0.000 1.090 1097 F CA 1.118 59.155 58.000 0.062 0.000 1.293 1097 F CB -0.330 38.710 39.000 0.067 0.000 1.013 1097 F HN 0.165 nan 8.300 nan 0.000 0.486 1098 L N -0.157 121.052 121.223 -0.024 0.000 2.201 1098 L HA -0.106 4.233 4.340 -0.003 0.000 0.212 1098 L C 0.392 177.175 176.870 -0.145 0.000 1.105 1098 L CA 0.860 55.619 54.840 -0.135 0.000 0.775 1098 L CB -0.725 41.365 42.059 0.050 0.000 0.913 1098 L HN -0.021 nan 8.230 nan 0.000 0.440 1099 D N 0.648 121.001 120.400 -0.079 0.000 3.060 1099 D HA 0.383 5.022 4.640 -0.003 0.000 0.245 1099 D C -0.061 176.188 176.300 -0.084 0.000 1.274 1099 D CA 0.377 54.342 54.000 -0.059 0.000 0.864 1099 D CB 0.161 40.953 40.800 -0.012 0.000 1.073 1099 D HN 0.161 nan 8.370 nan 0.000 0.473 1100 I N -0.126 120.351 120.570 -0.156 0.000 2.934 1100 I HA 0.206 4.375 4.170 -0.003 0.000 0.306 1100 I C 0.291 176.321 176.117 -0.144 0.000 1.110 1100 I CA -1.152 60.060 61.300 -0.146 0.000 1.019 1100 I CB 2.066 39.954 38.000 -0.185 0.000 1.227 1100 I HN -0.103 nan 8.210 nan 0.000 0.434 1101 S N 4.028 119.672 115.700 -0.094 0.000 2.576 1101 S HA 0.292 4.761 4.470 -0.003 0.000 0.276 1101 S C 1.142 175.699 174.600 -0.073 0.000 1.339 1101 S CA -0.630 57.528 58.200 -0.069 0.000 1.039 1101 S CB 1.261 64.435 63.200 -0.043 0.000 0.902 1101 S HN 0.586 nan 8.310 nan 0.000 0.516 1102 R N 1.842 122.313 120.500 -0.049 0.000 2.134 1102 R HA -0.122 4.216 4.340 -0.003 0.000 0.248 1102 R C -0.936 175.358 176.300 -0.009 0.000 1.143 1102 R CA 1.816 57.901 56.100 -0.025 0.000 0.957 1102 R CB -2.578 27.726 30.300 0.007 0.000 0.867 1102 R HN 0.553 nan 8.270 nan 0.000 0.441 1103 P HA -0.200 nan 4.420 nan 0.000 0.203 1103 P C 1.032 178.334 177.300 0.005 0.000 1.087 1103 P CA 1.418 64.518 63.100 0.001 0.000 0.952 1103 P CB -0.282 31.415 31.700 -0.005 0.000 0.758 1104 K N -1.176 119.222 120.400 -0.004 0.000 2.228 1104 K HA -0.198 4.121 4.320 -0.003 0.000 0.205 1104 K C 2.214 178.826 176.600 0.020 0.000 1.045 1104 K CA 1.473 57.763 56.287 0.006 0.000 0.931 1104 K CB -0.545 31.952 32.500 -0.005 0.000 0.727 1104 K HN 0.188 nan 8.250 nan 0.000 0.458 1105 M N 0.649 120.244 119.600 -0.008 0.000 2.132 1105 M HA -0.222 4.257 4.480 -0.003 0.000 0.263 1105 M C 1.779 178.142 176.300 0.104 0.000 1.065 1105 M CA 1.671 56.978 55.300 0.012 0.000 1.122 1105 M CB 0.154 32.696 32.600 -0.098 0.000 1.365 1105 M HN 0.031 nan 8.290 nan 0.000 0.411 1106 Q N -0.394 119.446 119.800 0.066 0.000 2.472 1106 Q HA -0.126 4.213 4.340 -0.003 0.000 0.208 1106 Q C 1.571 177.607 176.000 0.061 0.000 0.958 1106 Q CA 0.794 56.639 55.803 0.069 0.000 0.932 1106 Q CB 0.145 28.912 28.738 0.049 0.000 1.007 1106 Q HN 0.573 nan 8.270 nan 0.000 0.508 1107 E N -0.422 119.813 120.200 0.059 0.000 2.008 1107 E HA -0.155 4.194 4.350 -0.003 0.000 0.191 1107 E C 1.666 178.305 176.600 0.064 0.000 0.986 1107 E CA 1.265 57.696 56.400 0.051 0.000 0.807 1107 E CB 0.167 29.893 29.700 0.044 0.000 0.766 1107 E HN 0.152 nan 8.360 nan 0.000 0.450 1108 V N 0.849 120.818 119.914 0.092 0.000 2.511 1108 V HA -0.181 3.937 4.120 -0.003 0.000 0.257 1108 V C 1.032 177.171 176.094 0.075 0.000 1.088 1108 V CA 0.954 63.316 62.300 0.103 0.000 1.098 1108 V CB -0.511 31.424 31.823 0.186 0.000 0.674 1108 V HN 0.092 nan 8.190 nan 0.000 0.470 1109 V N -0.344 119.618 119.914 0.080 0.000 2.328 1109 V HA 0.738 4.856 4.120 -0.003 0.000 0.278 1109 V C 0.547 176.662 176.094 0.035 0.000 1.021 1109 V CA 0.637 62.968 62.300 0.051 0.000 0.838 1109 V CB 0.958 32.820 31.823 0.066 0.000 0.999 1109 V HN 0.288 nan 8.190 nan 0.000 0.447 1110 A N 5.103 127.935 122.820 0.019 0.000 1.999 1110 A HA 0.471 4.789 4.320 -0.003 0.000 0.190 1110 A C 0.345 177.932 177.584 0.005 0.000 1.737 1110 A CA 0.614 52.660 52.037 0.015 0.000 1.257 1110 A CB 0.350 19.360 19.000 0.016 0.000 1.401 1110 A HN 0.951 nan 8.150 nan 0.000 0.430 1123 E N -0.230 119.931 120.200 -0.065 0.000 3.935 1123 E HA 0.528 4.876 4.350 -0.003 0.000 0.244 1123 E C -1.083 175.491 176.600 -0.044 0.000 1.295 1123 E CA 0.478 56.850 56.400 -0.047 0.000 1.728 1123 E CB 0.621 30.295 29.700 -0.043 0.000 1.750 1123 E HN 1.037 nan 8.360 nan 0.000 0.721 1124 A N 0.141 122.928 122.820 -0.054 0.000 2.434 1124 A HA 0.238 4.557 4.320 -0.003 0.000 0.686 1124 A C -0.215 177.355 177.584 -0.022 0.000 0.139 1124 A CA 0.467 52.475 52.037 -0.047 0.000 0.030 1124 A CB -1.571 17.405 19.000 -0.040 0.000 3.972 1124 A HN 0.176 nan 8.150 nan 0.000 0.548 1125 T N 0.765 115.310 114.554 -0.015 0.000 2.802 1125 T HA 0.728 5.077 4.350 -0.003 0.000 0.311 1125 T C 1.217 175.946 174.700 0.048 0.000 1.405 1125 T CA 0.010 62.120 62.100 0.016 0.000 1.016 1125 T CB 1.671 70.547 68.868 0.014 0.000 1.352 1125 T HN 2.107 nan 8.240 nan 0.000 0.498 1126 A N 0.068 122.938 122.820 0.084 0.000 2.119 1126 A HA 0.077 4.396 4.320 -0.003 0.000 0.216 1126 A C 1.311 178.991 177.584 0.160 0.000 1.152 1126 A CA 1.364 53.493 52.037 0.153 0.000 0.708 1126 A CB -0.324 18.755 19.000 0.131 0.000 0.805 1126 A HN 0.710 nan 8.150 nan 0.000 0.460 1127 D N -0.952 119.508 120.400 0.099 0.000 2.431 1127 D HA -0.012 4.627 4.640 -0.003 0.000 0.235 1127 D C 1.220 177.556 176.300 0.060 0.000 0.980 1127 D CA 0.534 54.587 54.000 0.089 0.000 0.912 1127 D CB -0.427 40.415 40.800 0.069 0.000 1.056 1127 D HN 0.177 nan 8.370 nan 0.000 0.494 1128 D N 0.269 120.687 120.400 0.030 0.000 2.228 1128 D HA -0.127 4.511 4.640 -0.003 0.000 0.203 1128 D C 1.618 177.909 176.300 -0.015 0.000 0.988 1128 D CA 0.528 54.527 54.000 -0.002 0.000 0.864 1128 D CB 0.250 41.034 40.800 -0.026 0.000 0.928 1128 D HN 0.118 nan 8.370 nan 0.000 0.469 1129 L N -0.253 120.964 121.223 -0.010 0.000 2.445 1129 L HA 0.189 4.527 4.340 -0.003 0.000 0.207 1129 L C 2.174 179.019 176.870 -0.043 0.000 1.053 1129 L CA 0.337 55.127 54.840 -0.083 0.000 0.841 1129 L CB -0.876 41.087 42.059 -0.160 0.000 1.074 1129 L HN -0.027 nan 8.230 nan 0.000 0.479 1130 I N 1.105 121.769 120.570 0.158 0.000 2.182 1130 I HA -0.443 3.725 4.170 -0.003 0.000 0.248 1130 I C 2.620 178.848 176.117 0.185 0.000 1.073 1130 I CA 2.084 63.603 61.300 0.366 0.000 1.335 1130 I CB 0.017 38.204 38.000 0.313 0.000 1.031 1130 I HN 0.334 nan 8.210 nan 0.000 0.420 1131 K N 0.007 120.468 120.400 0.102 0.000 2.057 1131 K HA -0.146 4.173 4.320 -0.003 0.000 0.206 1131 K C 1.986 178.630 176.600 0.073 0.000 1.050 1131 K CA 1.597 57.925 56.287 0.069 0.000 0.935 1131 K CB 0.005 32.532 32.500 0.044 0.000 0.715 1131 K HN 0.239 nan 8.250 nan 0.000 0.439 1132 V N 1.043 120.995 119.914 0.064 0.000 2.252 1132 V HA -0.270 3.849 4.120 -0.003 0.000 0.249 1132 V C 2.327 178.501 176.094 0.134 0.000 1.056 1132 V CA 1.781 64.152 62.300 0.118 0.000 1.022 1132 V CB -0.301 31.550 31.823 0.046 0.000 0.641 1132 V HN 0.185 nan 8.190 nan 0.000 0.445 1133 V N -0.394 119.576 119.914 0.093 0.000 2.594 1133 V HA -0.232 3.887 4.120 -0.003 0.000 0.253 1133 V C 2.364 178.525 176.094 0.111 0.000 1.069 1133 V CA 1.874 64.245 62.300 0.120 0.000 1.082 1133 V CB -0.587 31.337 31.823 0.168 0.000 0.680 1133 V HN 0.650 nan 8.190 nan 0.000 0.469 1134 E N -0.158 120.097 120.200 0.093 0.000 2.072 1134 E HA -0.199 4.149 4.350 -0.003 0.000 0.190 1134 E C 2.149 178.757 176.600 0.014 0.000 0.982 1134 E CA 1.049 57.481 56.400 0.053 0.000 0.803 1134 E CB -0.124 29.602 29.700 0.043 0.000 0.755 1134 E HN 0.678 nan 8.360 nan 0.000 0.453 1135 E N 0.760 120.970 120.200 0.018 0.000 2.219 1135 E HA -0.190 4.158 4.350 -0.003 0.000 0.198 1135 E C 1.980 178.539 176.600 -0.068 0.000 0.998 1135 E CA 0.738 57.127 56.400 -0.018 0.000 0.818 1135 E CB -0.027 29.682 29.700 0.015 0.000 0.741 1135 E HN 0.259 nan 8.360 nan 0.000 0.477 1136 L N 0.342 121.536 121.223 -0.049 0.000 2.209 1136 L HA -0.077 4.262 4.340 -0.003 0.000 0.207 1136 L C 2.669 179.532 176.870 -0.012 0.000 1.094 1136 L CA 1.313 56.100 54.840 -0.088 0.000 0.790 1136 L CB -0.589 41.431 42.059 -0.066 0.000 0.932 1136 L HN 0.297 nan 8.230 nan 0.000 0.447 1137 T N -2.501 112.051 114.554 -0.002 0.000 2.833 1137 T HA -0.203 4.145 4.350 -0.003 0.000 0.269 1137 T C 1.830 176.382 174.700 -0.246 0.000 1.054 1137 T CA 0.761 62.813 62.100 -0.079 0.000 1.135 1137 T CB -0.359 68.488 68.868 -0.034 0.000 0.869 1137 T HN 0.265 nan 8.240 nan 0.000 0.466 1138 R N 0.293 120.706 120.500 -0.145 0.000 2.339 1138 R HA 0.302 4.640 4.340 -0.003 0.000 0.199 1138 R C 1.893 178.117 176.300 -0.126 0.000 1.018 1138 R CA 0.285 56.299 56.100 -0.142 0.000 1.036 1138 R CB -0.522 29.721 30.300 -0.095 0.000 0.899 1138 R HN 0.442 nan 8.270 nan 0.000 0.473 1139 I N 0.525 121.033 120.570 -0.104 0.000 2.761 1139 I HA -0.142 4.027 4.170 -0.003 0.000 0.261 1139 I C 0.970 177.141 176.117 0.090 0.000 1.198 1139 I CA 0.735 62.035 61.300 0.001 0.000 1.482 1139 I CB 0.078 38.101 38.000 0.039 0.000 1.100 1139 I HN 0.257 nan 8.210 nan 0.000 0.445 1140 H N 0.000 119.075 119.070 0.008 0.000 2.539 1140 H HA 0.000 4.554 4.556 -0.003 0.000 0.296 1140 H CA 0.000 56.053 56.048 0.008 0.000 1.023 1140 H CB 0.000 29.772 29.762 0.017 0.000 1.292 1140 H HN 0.000 nan 8.280 nan 0.000 0.496