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 3ei4_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 FSSSTAPHET SFGEEVEVHN 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 SLVMQNLGET STPTQGSVLF GTVNGMIGLV TSLSESWYNL DATA SEQUENCE LLDMQNRLNK VIKSVGKIEH SFWRSFHTER KTEPATGFID GDLIESFLDI DATA SEQUENCE SRPKMQEVVA NLQYDDGSGM KREATADDLI 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 0.000 175.757 176.300 -0.905 0.000 1.140 1 M CA 0.000 54.993 55.300 -0.511 0.000 0.988 1 M CB 0.000 32.449 32.600 -0.252 0.000 1.302 2 S N 0.255 115.399 115.700 -0.926 0.000 4.221 2 S HA -0.019 4.451 4.470 -0.000 0.000 0.464 2 S C -2.031 171.979 174.600 -0.983 0.000 0.832 2 S CA -0.006 57.721 58.200 -0.788 0.000 1.171 2 S CB -1.663 61.200 63.200 -0.561 0.000 0.743 2 S HN 0.763 nan 8.310 nan 0.000 0.608 3 Y N 2.229 122.315 120.300 -0.357 0.000 2.393 3 Y HA 0.715 5.265 4.550 -0.000 0.000 0.341 3 Y C 0.623 176.338 175.900 -0.308 0.000 0.988 3 Y CA -1.075 56.763 58.100 -0.436 0.000 1.078 3 Y CB 1.301 39.493 38.460 -0.447 0.000 1.203 3 Y HN 0.380 nan 8.280 nan 0.000 0.453 4 N N 1.435 120.004 118.700 -0.219 0.000 2.265 4 N HA 0.275 5.015 4.740 -0.000 0.000 0.300 4 N C -2.012 173.466 175.510 -0.055 0.000 1.148 4 N CA -0.830 52.015 53.050 -0.340 0.000 0.772 4 N CB 2.725 40.582 38.487 -1.049 0.000 1.434 4 N HN 0.645 nan 8.380 nan 0.000 0.481 5 Y N 0.618 120.848 120.300 -0.118 0.000 2.346 5 Y HA 0.433 4.983 4.550 -0.000 0.000 0.332 5 Y C -1.242 174.675 175.900 0.030 0.000 0.985 5 Y CA -0.652 57.435 58.100 -0.022 0.000 1.112 5 Y CB 1.110 39.558 38.460 -0.021 0.000 1.170 5 Y HN 0.199 nan 8.280 nan 0.000 0.447 6 V N 7.056 126.777 119.914 -0.322 0.000 2.409 6 V HA 0.657 4.777 4.120 -0.000 0.000 0.291 6 V C -0.921 174.974 176.094 -0.331 0.000 1.020 6 V CA -0.920 61.280 62.300 -0.167 0.000 0.848 6 V CB 1.199 32.971 31.823 -0.084 0.000 0.990 6 V HN 0.564 nan 8.190 nan 0.000 0.430 7 V N 3.813 123.600 119.914 -0.212 0.000 2.686 7 V HA 0.475 4.595 4.120 -0.000 0.000 0.306 7 V C 0.169 176.104 176.094 -0.265 0.000 1.065 7 V CA -0.108 62.048 62.300 -0.240 0.000 0.894 7 V CB 2.789 34.504 31.823 -0.180 0.000 1.004 7 V HN 0.969 nan 8.190 nan 0.000 0.424 8 T N 6.755 121.187 114.554 -0.204 0.000 2.775 8 T HA 0.503 4.853 4.350 -0.000 0.000 0.281 8 T C 0.291 174.766 174.700 -0.375 0.000 0.908 8 T CA 0.488 62.465 62.100 -0.203 0.000 1.123 8 T CB 0.463 69.302 68.868 -0.048 0.000 0.879 8 T HN 1.048 nan 8.240 nan 0.000 0.547 9 A N 3.603 126.159 122.820 -0.441 0.000 2.316 9 A HA 0.634 4.954 4.320 -0.000 0.000 0.284 9 A C 0.684 178.183 177.584 -0.142 0.000 1.115 9 A CA -0.362 51.514 52.037 -0.268 0.000 0.812 9 A CB 0.399 19.287 19.000 -0.187 0.000 1.064 9 A HN 0.733 nan 8.150 nan 0.000 0.489 10 Q N 0.305 120.077 119.800 -0.048 0.000 1.261 10 Q HA -0.222 4.118 4.340 -0.000 0.000 0.355 10 Q C -0.549 175.438 176.000 -0.023 0.000 0.992 10 Q CA 2.328 58.112 55.803 -0.031 0.000 0.652 10 Q CB -0.941 27.772 28.738 -0.042 0.000 4.564 10 Q HN 1.036 nan 8.270 nan 0.000 0.538 11 K N -0.390 120.003 120.400 -0.012 0.000 2.931 11 K HA 0.177 4.497 4.320 -0.000 0.000 0.321 11 K C -2.862 173.748 176.600 0.016 0.000 1.191 11 K CA -0.482 55.810 56.287 0.008 0.000 0.954 11 K CB 0.965 33.473 32.500 0.013 0.000 1.350 11 K HN 0.498 nan 8.250 nan 0.000 0.396 12 P HA -0.077 nan 4.420 nan 0.000 0.263 12 P C 0.267 177.585 177.300 0.030 0.000 1.175 12 P CA 0.444 63.560 63.100 0.027 0.000 0.761 12 P CB 0.503 32.217 31.700 0.023 0.000 0.794 13 T N -1.431 113.144 114.554 0.035 0.000 3.010 13 T HA 0.354 4.704 4.350 -0.000 0.000 0.257 13 T C 0.847 175.582 174.700 0.059 0.000 1.020 13 T CA -0.135 61.995 62.100 0.050 0.000 0.938 13 T CB 0.109 69.008 68.868 0.051 0.000 1.049 13 T HN 0.487 nan 8.240 nan 0.000 0.522 14 A N 1.678 124.523 122.820 0.042 0.000 2.388 14 A HA 0.625 4.945 4.320 -0.000 0.000 0.257 14 A C 0.122 177.735 177.584 0.049 0.000 1.095 14 A CA -0.482 51.579 52.037 0.040 0.000 0.791 14 A CB 0.349 19.361 19.000 0.019 0.000 1.029 14 A HN 0.322 nan 8.150 nan 0.000 0.489 15 V N 3.639 123.593 119.914 0.066 0.000 2.432 15 V HA 0.117 4.237 4.120 -0.000 0.000 0.271 15 V C 0.355 176.477 176.094 0.047 0.000 1.046 15 V CA -0.402 61.950 62.300 0.087 0.000 0.945 15 V CB 0.782 32.702 31.823 0.162 0.000 0.992 15 V HN 0.891 nan 8.190 nan 0.000 0.471 16 N N 3.877 122.594 118.700 0.028 0.000 2.251 16 N HA 0.316 5.056 4.740 -0.000 0.000 0.217 16 N C 0.542 176.057 175.510 0.009 0.000 1.124 16 N CA 0.626 53.678 53.050 0.003 0.000 0.843 16 N CB 1.292 39.764 38.487 -0.025 0.000 1.024 16 N HN 0.942 nan 8.380 nan 0.000 0.501 17 G N 0.423 109.245 108.800 0.036 0.000 2.312 17 G HA2 0.135 4.095 3.960 -0.000 0.000 0.322 17 G HA3 0.135 4.095 3.960 -0.000 0.000 0.322 17 G C -0.952 173.988 174.900 0.066 0.000 1.645 17 G CA -0.964 44.161 45.100 0.042 0.000 0.919 17 G HN 0.241 nan 8.290 nan 0.000 0.699 18 C N 0.295 119.652 119.300 0.096 0.000 2.482 18 C HA 0.921 5.381 4.460 -0.000 0.000 0.317 18 C C -0.060 174.972 174.990 0.070 0.000 1.197 18 C CA -1.087 57.986 59.018 0.093 0.000 1.432 18 C CB 0.995 28.860 27.740 0.207 0.000 2.062 18 C HN 1.461 nan 8.230 nan 0.000 0.471 19 V N 2.022 121.952 119.914 0.028 0.000 2.864 19 V HA 0.848 4.968 4.120 -0.000 0.000 0.314 19 V C -0.077 176.023 176.094 0.009 0.000 1.073 19 V CA 0.361 62.682 62.300 0.036 0.000 0.956 19 V CB 2.393 34.238 31.823 0.037 0.000 1.023 19 V HN 1.178 nan 8.190 nan 0.000 0.435 20 T N 2.959 117.527 114.554 0.024 0.000 2.908 20 T HA 0.917 5.267 4.350 -0.000 0.000 0.290 20 T C -0.180 174.504 174.700 -0.027 0.000 1.034 20 T CA 0.448 62.539 62.100 -0.015 0.000 1.010 20 T CB 1.295 70.156 68.868 -0.011 0.000 1.068 20 T HN 1.627 nan 8.240 nan 0.000 0.481 21 G N 1.760 110.485 108.800 -0.124 0.000 2.351 21 G HA2 0.208 4.168 3.960 -0.000 0.000 0.279 21 G HA3 0.208 4.168 3.960 -0.000 0.000 0.279 21 G C -1.702 172.985 174.900 -0.356 0.000 1.297 21 G CA -0.736 44.241 45.100 -0.205 0.000 0.886 21 G HN 0.765 nan 8.290 nan 0.000 0.493 22 H N 0.299 119.423 119.070 0.090 0.000 2.328 22 H HA 0.430 4.986 4.556 -0.000 0.000 0.230 22 H C 0.592 175.971 175.328 0.084 0.000 1.481 22 H CA -0.495 55.587 56.048 0.057 0.000 1.306 22 H CB 0.581 30.353 29.762 0.018 0.000 1.531 22 H HN 0.348 nan 8.280 nan 0.000 0.533 23 F N 0.807 120.761 119.950 0.005 0.000 2.118 23 F HA -0.121 4.406 4.527 -0.000 0.000 0.293 23 F C 1.875 177.641 175.800 -0.056 0.000 1.102 23 F CA 1.409 59.412 58.000 0.006 0.000 1.247 23 F CB -0.133 38.888 39.000 0.034 0.000 1.017 23 F HN 0.224 nan 8.300 nan 0.000 0.475 24 T N -0.824 113.536 114.554 -0.323 0.000 2.668 24 T HA -0.138 4.212 4.350 -0.000 0.000 0.262 24 T C 1.915 176.310 174.700 -0.508 0.000 1.045 24 T CA 1.758 63.375 62.100 -0.806 0.000 1.152 24 T CB -0.544 67.870 68.868 -0.758 0.000 0.864 24 T HN 0.315 nan 8.240 nan 0.000 0.419 25 S N -1.240 114.306 115.700 -0.258 0.000 3.064 25 S HA 0.641 5.111 4.470 -0.000 0.000 0.170 25 S C 1.069 175.621 174.600 -0.079 0.000 0.713 25 S CA 0.672 58.774 58.200 -0.162 0.000 0.891 25 S CB 0.267 63.393 63.200 -0.123 0.000 0.772 25 S HN 0.545 nan 8.310 nan 0.000 0.701 26 A N 0.247 123.050 122.820 -0.028 0.000 3.091 26 A HA 0.109 4.429 4.320 -0.000 0.000 0.187 26 A C 1.282 178.807 177.584 -0.099 0.000 1.645 26 A CA 0.805 52.800 52.037 -0.069 0.000 1.370 26 A CB -1.203 17.739 19.000 -0.096 0.000 1.098 26 A HN 0.609 nan 8.150 nan 0.000 0.374 27 E N 0.707 120.879 120.200 -0.047 0.000 2.285 27 E HA -0.012 4.338 4.350 -0.000 0.000 0.194 27 E C -0.569 176.059 176.600 0.045 0.000 0.997 27 E CA 0.662 57.049 56.400 -0.022 0.000 0.845 27 E CB -0.231 29.450 29.700 -0.032 0.000 0.782 27 E HN 0.478 nan 8.360 nan 0.000 0.491 28 D N 1.529 121.966 120.400 0.062 0.000 2.345 28 D HA 0.206 4.846 4.640 -0.000 0.000 0.247 28 D C -0.726 175.676 176.300 0.169 0.000 1.108 28 D CA -0.322 53.716 54.000 0.065 0.000 0.894 28 D CB 1.531 42.319 40.800 -0.021 0.000 1.203 28 D HN 0.046 nan 8.370 nan 0.000 0.430 29 L N 3.637 124.890 121.223 0.050 0.000 2.265 29 L HA 0.269 4.609 4.340 -0.000 0.000 0.289 29 L C -0.491 176.330 176.870 -0.081 0.000 1.033 29 L CA -0.392 54.398 54.840 -0.084 0.000 0.814 29 L CB 0.398 42.416 42.059 -0.070 0.000 1.203 29 L HN 0.159 nan 8.230 nan 0.000 0.423 30 N N 4.449 123.086 118.700 -0.105 0.000 2.456 30 N HA 0.470 5.210 4.740 -0.000 0.000 0.296 30 N C -1.293 174.192 175.510 -0.042 0.000 1.102 30 N CA -0.532 52.502 53.050 -0.027 0.000 0.924 30 N CB 2.347 40.864 38.487 0.051 0.000 1.186 30 N HN 0.424 nan 8.380 nan 0.000 0.492 31 L N 1.848 123.064 121.223 -0.012 0.000 2.341 31 L HA 0.541 4.881 4.340 -0.000 0.000 0.278 31 L C -1.580 175.292 176.870 0.003 0.000 1.005 31 L CA -0.578 54.224 54.840 -0.062 0.000 0.818 31 L CB 1.166 43.105 42.059 -0.199 0.000 1.259 31 L HN 0.326 nan 8.230 nan 0.000 0.418 32 L N 6.419 127.615 121.223 -0.045 0.000 2.319 32 L HA 0.547 4.887 4.340 -0.000 0.000 0.281 32 L C -0.494 176.339 176.870 -0.062 0.000 1.005 32 L CA 0.082 54.895 54.840 -0.046 0.000 0.828 32 L CB 1.488 43.476 42.059 -0.118 0.000 1.227 32 L HN 0.490 nan 8.230 nan 0.000 0.415 33 I N 2.796 123.345 120.570 -0.036 0.000 2.359 33 I HA 0.623 4.793 4.170 -0.000 0.000 0.294 33 I C 0.242 176.348 176.117 -0.018 0.000 0.987 33 I CA -0.673 60.605 61.300 -0.036 0.000 1.225 33 I CB 1.806 39.772 38.000 -0.056 0.000 1.366 33 I HN 0.654 nan 8.210 nan 0.000 0.466 34 A N 5.532 128.345 122.820 -0.012 0.000 2.260 34 A HA 0.457 4.777 4.320 -0.000 0.000 0.308 34 A C 0.430 178.008 177.584 -0.009 0.000 1.254 34 A CA -0.449 51.570 52.037 -0.031 0.000 0.874 34 A CB 0.884 19.855 19.000 -0.048 0.000 1.153 34 A HN 0.775 nan 8.150 nan 0.000 0.527 35 K N 0.987 121.376 120.400 -0.018 0.000 2.214 35 K HA 0.115 4.435 4.320 -0.000 0.000 0.201 35 K C 1.199 177.787 176.600 -0.019 0.000 1.049 35 K CA 1.631 57.916 56.287 -0.002 0.000 0.978 35 K CB 0.224 32.728 32.500 0.006 0.000 0.842 35 K HN 0.822 nan 8.250 nan 0.000 0.474 36 N N -2.869 115.806 118.700 -0.042 0.000 2.535 36 N HA -0.109 4.631 4.740 -0.000 0.000 0.317 36 N C 0.392 175.848 175.510 -0.090 0.000 0.622 36 N CA 1.231 54.245 53.050 -0.060 0.000 1.016 36 N CB -0.161 38.303 38.487 -0.038 0.000 2.143 36 N HN 0.024 nan 8.380 nan 0.000 1.529 37 T N -1.611 112.896 114.554 -0.078 0.000 3.054 37 T HA 0.488 4.838 4.350 -0.000 0.000 0.255 37 T C 0.190 174.810 174.700 -0.134 0.000 1.035 37 T CA -0.166 61.848 62.100 -0.142 0.000 0.941 37 T CB 0.277 69.089 68.868 -0.092 0.000 1.026 37 T HN -0.006 nan 8.240 nan 0.000 0.533 38 R N 1.284 121.730 120.500 -0.090 0.000 2.393 38 R HA 0.605 4.945 4.340 -0.000 0.000 0.310 38 R C -1.370 174.877 176.300 -0.088 0.000 0.968 38 R CA -0.997 55.054 56.100 -0.082 0.000 0.867 38 R CB 1.831 32.104 30.300 -0.046 0.000 1.124 38 R HN 0.255 nan 8.270 nan 0.000 0.450 39 L N 2.490 123.649 121.223 -0.106 0.000 2.298 39 L HA 0.373 4.713 4.340 -0.000 0.000 0.284 39 L C -0.516 176.293 176.870 -0.103 0.000 1.013 39 L CA -0.006 54.770 54.840 -0.108 0.000 0.824 39 L CB 1.248 43.225 42.059 -0.137 0.000 1.221 39 L HN 0.508 nan 8.230 nan 0.000 0.418 40 E N 5.971 126.123 120.200 -0.080 0.000 2.113 40 E HA 0.447 4.797 4.350 -0.000 0.000 0.273 40 E C -1.022 175.493 176.600 -0.141 0.000 0.924 40 E CA -0.360 55.961 56.400 -0.131 0.000 0.764 40 E CB 1.724 31.422 29.700 -0.004 0.000 1.104 40 E HN 0.532 nan 8.360 nan 0.000 0.406 41 I N 3.324 123.743 120.570 -0.251 0.000 2.359 41 I HA 0.338 4.508 4.170 -0.000 0.000 0.294 41 I C -0.727 175.191 176.117 -0.331 0.000 0.987 41 I CA -0.567 60.669 61.300 -0.108 0.000 1.225 41 I CB 0.570 38.647 38.000 0.128 0.000 1.366 41 I HN 0.439 nan 8.210 nan 0.000 0.466 42 Y N 3.838 124.110 120.300 -0.047 0.000 2.605 42 Y HA 0.688 5.238 4.550 -0.000 0.000 0.343 42 Y C -0.368 175.493 175.900 -0.065 0.000 1.036 42 Y CA -1.034 57.019 58.100 -0.079 0.000 1.065 42 Y CB 1.935 40.301 38.460 -0.158 0.000 1.288 42 Y HN 0.110 nan 8.280 nan 0.000 0.481 43 V N 2.091 122.071 119.914 0.110 0.000 2.555 43 V HA 0.406 4.526 4.120 -0.000 0.000 0.302 43 V C -0.779 175.332 176.094 0.028 0.000 1.038 43 V CA -1.105 61.216 62.300 0.035 0.000 0.887 43 V CB 1.742 33.563 31.823 -0.003 0.000 0.991 43 V HN 0.509 nan 8.190 nan 0.000 0.434 44 V N 3.989 123.898 119.914 -0.008 0.000 2.372 44 V HA 0.282 4.402 4.120 -0.000 0.000 0.261 44 V C 0.618 176.703 176.094 -0.014 0.000 1.055 44 V CA -0.163 62.122 62.300 -0.025 0.000 0.930 44 V CB 0.389 32.179 31.823 -0.055 0.000 1.031 44 V HN 1.016 nan 8.190 nan 0.000 0.479 45 T N 3.147 117.699 114.554 -0.004 0.000 2.881 45 T HA 0.482 4.832 4.350 -0.000 0.000 0.278 45 T C 1.615 176.313 174.700 -0.002 0.000 0.982 45 T CA 0.065 62.165 62.100 0.000 0.000 0.989 45 T CB 1.629 70.502 68.868 0.008 0.000 1.058 45 T HN 0.683 nan 8.240 nan 0.000 0.529 46 A N 1.039 123.860 122.820 0.000 0.000 1.997 46 A HA -0.181 4.139 4.320 -0.000 0.000 0.221 46 A C 2.181 179.768 177.584 0.006 0.000 1.172 46 A CA 2.004 54.042 52.037 0.002 0.000 0.645 46 A CB -0.541 18.461 19.000 0.004 0.000 0.813 46 A HN 0.884 nan 8.150 nan 0.000 0.454 47 E N -1.319 118.888 120.200 0.012 0.000 2.372 47 E HA 0.354 4.704 4.350 -0.000 0.000 0.201 47 E C 0.962 177.579 176.600 0.030 0.000 0.938 47 E CA 1.213 57.625 56.400 0.020 0.000 0.944 47 E CB -0.252 29.460 29.700 0.021 0.000 0.937 47 E HN 0.535 nan 8.360 nan 0.000 0.495 48 G N 0.669 109.486 108.800 0.029 0.000 2.619 48 G HA2 0.371 4.331 3.960 -0.000 0.000 0.146 48 G HA3 0.371 4.331 3.960 -0.000 0.000 0.146 48 G C -1.582 173.330 174.900 0.020 0.000 1.192 48 G CA -0.604 44.523 45.100 0.044 0.000 1.063 48 G HN 0.008 nan 8.290 nan 0.000 0.538 49 L N 0.800 122.033 121.223 0.016 0.000 2.334 49 L HA 0.668 5.008 4.340 -0.000 0.000 0.276 49 L C 0.023 176.947 176.870 0.089 0.000 1.014 49 L CA -0.589 54.250 54.840 -0.001 0.000 0.815 49 L CB 1.598 43.531 42.059 -0.211 0.000 1.268 49 L HN 0.598 nan 8.230 nan 0.000 0.428 50 R N 3.608 124.183 120.500 0.125 0.000 2.360 50 R HA 0.444 4.784 4.340 -0.000 0.000 0.318 50 R C -2.464 173.897 176.300 0.103 0.000 0.950 50 R CA -1.604 54.556 56.100 0.101 0.000 0.837 50 R CB 1.892 32.217 30.300 0.043 0.000 1.165 50 R HN 0.288 nan 8.270 nan 0.000 0.458 51 P HA -0.014 nan 4.420 nan 0.000 0.276 51 P C 0.586 177.787 177.300 -0.165 0.000 1.253 51 P CA -0.192 62.773 63.100 -0.224 0.000 0.766 51 P CB 1.228 32.819 31.700 -0.181 0.000 0.845 52 V N 0.670 120.472 119.914 -0.186 0.000 2.788 52 V HA 0.360 4.480 4.120 -0.000 0.000 0.241 52 V C 0.427 176.494 176.094 -0.046 0.000 1.083 52 V CA 1.076 63.346 62.300 -0.049 0.000 1.103 52 V CB -0.550 31.302 31.823 0.050 0.000 0.800 52 V HN 0.307 nan 8.190 nan 0.000 0.476 53 K N 0.557 120.895 120.400 -0.104 0.000 2.561 53 K HA 0.419 4.739 4.320 -0.000 0.000 0.254 53 K C -1.444 175.057 176.600 -0.165 0.000 0.942 53 K CA -0.325 55.897 56.287 -0.108 0.000 0.818 53 K CB 1.891 34.344 32.500 -0.079 0.000 1.306 53 K HN 0.424 nan 8.250 nan 0.000 0.435 54 E N 3.816 123.924 120.200 -0.153 0.000 2.158 54 E HA 0.474 4.824 4.350 -0.000 0.000 0.271 54 E C -1.154 175.378 176.600 -0.114 0.000 0.911 54 E CA -0.795 55.522 56.400 -0.140 0.000 0.767 54 E CB 1.570 31.196 29.700 -0.123 0.000 1.120 54 E HN 0.373 nan 8.360 nan 0.000 0.405 55 V N 2.881 122.725 119.914 -0.117 0.000 2.628 55 V HA 0.571 4.691 4.120 -0.000 0.000 0.306 55 V C 0.375 176.390 176.094 -0.133 0.000 1.045 55 V CA -0.592 61.632 62.300 -0.127 0.000 0.905 55 V CB 1.990 33.732 31.823 -0.135 0.000 0.997 55 V HN 0.759 nan 8.190 nan 0.000 0.436 56 G N 3.894 112.606 108.800 -0.146 0.000 2.356 56 G HA2 0.655 4.615 3.960 -0.000 0.000 0.322 56 G HA3 0.655 4.615 3.960 -0.000 0.000 0.322 56 G C -0.763 173.974 174.900 -0.271 0.000 1.125 56 G CA -0.564 44.440 45.100 -0.160 0.000 0.885 56 G HN 0.519 nan 8.290 nan 0.000 0.467 57 M N 1.231 120.650 119.600 -0.301 0.000 2.456 57 M HA 0.259 4.738 4.480 -0.000 0.000 0.324 57 M C -0.948 175.015 176.300 -0.562 0.000 1.124 57 M CA -0.823 54.226 55.300 -0.418 0.000 0.959 57 M CB 2.441 34.838 32.600 -0.338 0.000 1.692 57 M HN 0.489 nan 8.290 nan 0.000 0.444 58 Y N 1.612 121.551 120.300 -0.602 0.000 2.734 58 Y HA 0.475 5.025 4.550 -0.000 0.000 0.353 58 Y C 0.880 175.904 175.900 -1.459 0.000 1.244 58 Y CA -0.442 56.925 58.100 -1.223 0.000 1.950 58 Y CB -0.893 37.301 38.460 -0.443 0.000 2.028 58 Y HN 0.721 nan 8.280 nan 0.000 0.421 59 G N 0.493 108.309 108.800 -1.639 0.000 2.377 59 G HA2 0.288 4.248 3.960 -0.000 0.000 0.297 59 G HA3 0.288 4.248 3.960 -0.000 0.000 0.297 59 G C -1.526 173.016 174.900 -0.596 0.000 1.547 59 G CA -1.316 43.202 45.100 -0.970 0.000 0.833 59 G HN 0.078 nan 8.290 nan 0.000 0.583 60 K N 0.738 121.022 120.400 -0.194 0.000 2.248 60 K HA 0.402 4.722 4.320 -0.000 0.000 0.281 60 K C 0.050 176.556 176.600 -0.157 0.000 1.054 60 K CA -0.433 55.778 56.287 -0.127 0.000 0.903 60 K CB 1.798 34.251 32.500 -0.079 0.000 1.077 60 K HN 0.354 nan 8.250 nan 0.000 0.474 61 I N 3.161 123.634 120.570 -0.160 0.000 2.505 61 I HA -0.090 4.080 4.170 -0.000 0.000 0.287 61 I C 1.062 177.103 176.117 -0.127 0.000 1.104 61 I CA 0.291 61.498 61.300 -0.156 0.000 1.387 61 I CB 1.064 38.975 38.000 -0.147 0.000 1.404 61 I HN 0.819 nan 8.210 nan 0.000 0.528 62 A N 6.382 129.125 122.820 -0.129 0.000 1.938 62 A HA 0.317 4.637 4.320 -0.000 0.000 0.207 62 A C 0.605 178.152 177.584 -0.062 0.000 1.292 62 A CA 0.402 52.383 52.037 -0.094 0.000 0.700 62 A CB 0.372 19.310 19.000 -0.102 0.000 0.947 62 A HN 0.416 nan 8.150 nan 0.000 0.476 63 V N 0.489 120.357 119.914 -0.077 0.000 2.495 63 V HA 0.566 4.686 4.120 -0.000 0.000 0.298 63 V C -0.464 175.583 176.094 -0.078 0.000 1.031 63 V CA -0.163 62.126 62.300 -0.018 0.000 0.871 63 V CB 1.354 33.244 31.823 0.112 0.000 0.988 63 V HN 0.546 nan 8.190 nan 0.000 0.432 64 M N 4.575 124.172 119.600 -0.006 0.000 2.031 64 M HA 0.538 5.017 4.480 -0.000 0.000 0.273 64 M C -1.503 174.841 176.300 0.073 0.000 0.904 64 M CA -0.190 55.098 55.300 -0.020 0.000 0.963 64 M CB 1.083 33.648 32.600 -0.059 0.000 1.707 64 M HN 0.605 nan 8.290 nan 0.000 0.427 65 E N 4.437 124.741 120.200 0.174 0.000 2.248 65 E HA 0.507 4.857 4.350 -0.000 0.000 0.267 65 E C -1.368 175.420 176.600 0.314 0.000 0.877 65 E CA -0.584 55.953 56.400 0.229 0.000 0.759 65 E CB 3.008 32.857 29.700 0.249 0.000 1.182 65 E HN 0.765 nan 8.360 nan 0.000 0.418 66 L N 3.531 124.920 121.223 0.275 0.000 2.334 66 L HA 0.563 4.903 4.340 -0.000 0.000 0.277 66 L C -0.219 176.927 176.870 0.459 0.000 1.075 66 L CA -0.748 54.288 54.840 0.327 0.000 0.804 66 L CB 0.378 42.546 42.059 0.183 0.000 1.174 66 L HN 0.485 nan 8.230 nan 0.000 0.438 67 F N 0.562 120.607 119.950 0.158 0.000 2.654 67 F HA 0.637 5.164 4.527 -0.000 0.000 0.308 67 F C -0.885 174.998 175.800 0.139 0.000 1.108 67 F CA -1.185 56.899 58.000 0.141 0.000 0.957 67 F CB 1.624 40.692 39.000 0.115 0.000 1.309 67 F HN 0.255 nan 8.300 nan 0.000 0.446 68 R N 3.088 123.631 120.500 0.072 0.000 2.371 68 R HA 0.555 4.895 4.340 -0.000 0.000 0.312 68 R C -2.945 173.384 176.300 0.048 0.000 0.980 68 R CA -1.848 54.236 56.100 -0.027 0.000 0.867 68 R CB 1.425 31.749 30.300 0.040 0.000 1.163 68 R HN 0.459 nan 8.270 nan 0.000 0.492 69 P HA 0.127 nan 4.420 nan 0.000 0.274 69 P C -1.018 176.307 177.300 0.042 0.000 1.231 69 P CA -0.526 62.622 63.100 0.080 0.000 0.790 69 P CB 0.739 32.494 31.700 0.091 0.000 0.951 70 K N 0.955 121.385 120.400 0.051 0.000 2.448 70 K HA 0.330 4.650 4.320 -0.000 0.000 0.278 70 K C 1.091 177.705 176.600 0.022 0.000 1.009 70 K CA 1.271 57.577 56.287 0.033 0.000 0.995 70 K CB -0.479 32.042 32.500 0.035 0.000 0.917 70 K HN 0.811 nan 8.250 nan 0.000 0.481 71 G N 2.305 111.111 108.800 0.011 0.000 2.182 71 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.248 71 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.248 71 G C -0.641 174.258 174.900 -0.003 0.000 1.042 71 G CA -0.277 44.826 45.100 0.005 0.000 0.775 71 G HN 0.523 nan 8.290 nan 0.000 0.501 72 E N 0.002 120.195 120.200 -0.011 0.000 2.224 72 E HA 0.418 4.768 4.350 -0.000 0.000 0.265 72 E C 1.074 177.654 176.600 -0.033 0.000 0.878 72 E CA -0.027 56.357 56.400 -0.027 0.000 0.759 72 E CB 1.473 31.146 29.700 -0.045 0.000 1.164 72 E HN 0.391 nan 8.360 nan 0.000 0.414 73 S N 2.151 117.828 115.700 -0.038 0.000 2.515 73 S HA -0.083 4.387 4.470 -0.000 0.000 0.231 73 S C 0.655 175.224 174.600 -0.053 0.000 0.987 73 S CA 0.620 58.793 58.200 -0.044 0.000 0.936 73 S CB -0.287 62.886 63.200 -0.044 0.000 0.766 73 S HN 0.501 nan 8.310 nan 0.000 0.528 74 K N -0.235 120.133 120.400 -0.053 0.000 2.522 74 K HA 0.523 4.843 4.320 -0.000 0.000 0.275 74 K C -2.224 174.355 176.600 -0.036 0.000 1.006 74 K CA -1.076 55.184 56.287 -0.044 0.000 0.890 74 K CB 0.481 32.936 32.500 -0.075 0.000 1.475 74 K HN -0.229 nan 8.250 nan 0.000 0.441 75 D N 1.360 121.776 120.400 0.027 0.000 2.425 75 D HA 0.210 4.850 4.640 -0.000 0.000 0.247 75 D C -0.110 176.215 176.300 0.041 0.000 1.147 75 D CA 0.034 54.051 54.000 0.029 0.000 0.879 75 D CB 0.524 41.416 40.800 0.154 0.000 1.179 75 D HN 0.320 nan 8.370 nan 0.000 0.456 76 L N 1.459 122.556 121.223 -0.209 0.000 2.416 76 L HA 0.434 4.774 4.340 -0.000 0.000 0.262 76 L C -0.164 176.757 176.870 0.085 0.000 1.093 76 L CA -1.136 53.626 54.840 -0.129 0.000 0.801 76 L CB 0.690 42.464 42.059 -0.474 0.000 1.191 76 L HN 0.159 nan 8.230 nan 0.000 0.459 77 L N 1.197 122.617 121.223 0.328 0.000 2.317 77 L HA 0.479 4.819 4.340 -0.000 0.000 0.281 77 L C -1.021 176.140 176.870 0.486 0.000 1.024 77 L CA -0.040 54.965 54.840 0.275 0.000 0.810 77 L CB 1.390 43.375 42.059 -0.124 0.000 1.240 77 L HN 0.329 nan 8.230 nan 0.000 0.427 78 F N 6.413 126.545 119.950 0.304 0.000 2.426 78 F HA 0.674 5.201 4.527 -0.000 0.000 0.348 78 F C -1.152 174.667 175.800 0.031 0.000 1.124 78 F CA -0.730 57.352 58.000 0.136 0.000 1.008 78 F CB 0.859 39.824 39.000 -0.059 0.000 1.139 78 F HN 0.226 nan 8.300 nan 0.000 0.452 79 I N 7.245 127.316 120.570 -0.833 0.000 2.465 79 I HA 0.391 4.561 4.170 -0.000 0.000 0.291 79 I C -1.305 174.227 176.117 -0.975 0.000 1.014 79 I CA -0.932 59.924 61.300 -0.739 0.000 1.093 79 I CB 1.613 39.398 38.000 -0.358 0.000 1.267 79 I HN 0.551 nan 8.210 nan 0.000 0.431 80 L N 5.845 126.650 121.223 -0.698 0.000 2.333 80 L HA 0.542 4.882 4.340 -0.000 0.000 0.280 80 L C 0.111 176.852 176.870 -0.214 0.000 1.004 80 L CA 0.092 54.710 54.840 -0.369 0.000 0.820 80 L CB 1.791 43.750 42.059 -0.167 0.000 1.247 80 L HN 0.578 nan 8.230 nan 0.000 0.416 81 T N 3.580 118.040 114.554 -0.156 0.000 2.913 81 T HA 0.367 4.717 4.350 -0.000 0.000 0.287 81 T C 1.276 175.863 174.700 -0.188 0.000 1.008 81 T CA 0.202 62.214 62.100 -0.146 0.000 1.067 81 T CB 1.565 70.383 68.868 -0.084 0.000 0.996 81 T HN 0.749 nan 8.240 nan 0.000 0.513 82 A N 1.724 124.422 122.820 -0.203 0.000 2.178 82 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 82 A C 1.812 179.093 177.584 -0.506 0.000 1.157 82 A CA 1.137 52.987 52.037 -0.311 0.000 0.689 82 A CB -0.293 18.604 19.000 -0.171 0.000 0.787 82 A HN 0.689 nan 8.150 nan 0.000 0.465 83 K N -1.326 118.885 120.400 -0.314 0.000 2.410 83 K HA 0.198 4.518 4.320 -0.000 0.000 0.200 83 K C -0.927 175.654 176.600 -0.031 0.000 1.023 83 K CA -0.195 55.937 56.287 -0.259 0.000 1.149 83 K CB -0.099 32.331 32.500 -0.117 0.000 0.859 83 K HN 0.575 nan 8.250 nan 0.000 0.514 84 Y N -0.894 119.442 120.300 0.060 0.000 3.790 84 Y HA -0.270 4.279 4.550 -0.000 0.000 0.226 84 Y C -0.619 175.295 175.900 0.023 0.000 1.257 84 Y CA -0.233 57.887 58.100 0.034 0.000 1.765 84 Y CB -2.728 35.761 38.460 0.048 0.000 1.552 84 Y HN 0.211 nan 8.280 nan 0.000 0.650 85 N N 1.211 119.971 118.700 0.100 0.000 2.414 85 N HA 0.611 5.351 4.740 -0.000 0.000 0.256 85 N C -0.124 175.378 175.510 -0.013 0.000 1.029 85 N CA 0.214 53.294 53.050 0.050 0.000 0.948 85 N CB 1.073 39.597 38.487 0.062 0.000 1.102 85 N HN 0.414 nan 8.380 nan 0.000 0.496 86 A N 1.605 124.431 122.820 0.010 0.000 2.325 86 A HA 0.822 5.142 4.320 -0.000 0.000 0.333 86 A C -0.298 177.298 177.584 0.020 0.000 1.155 86 A CA -0.636 51.391 52.037 -0.017 0.000 0.814 86 A CB 0.386 19.478 19.000 0.153 0.000 1.206 86 A HN 0.897 nan 8.150 nan 0.000 0.482 87 C N 0.741 120.022 119.300 -0.032 0.000 3.241 87 C HA 0.670 5.130 4.460 -0.000 0.000 0.348 87 C C -1.128 173.949 174.990 0.145 0.000 1.180 87 C CA -0.946 58.124 59.018 0.087 0.000 1.273 87 C CB 0.082 27.852 27.740 0.051 0.000 1.620 87 C HN 0.672 nan 8.230 nan 0.000 0.510 88 I N 2.577 123.292 120.570 0.242 0.000 2.359 88 I HA 0.603 4.773 4.170 -0.000 0.000 0.294 88 I C -0.078 176.173 176.117 0.224 0.000 0.987 88 I CA -0.429 61.066 61.300 0.325 0.000 1.225 88 I CB 1.158 39.392 38.000 0.392 0.000 1.366 88 I HN 0.694 nan 8.210 nan 0.000 0.466 89 L N 5.032 126.398 121.223 0.239 0.000 2.354 89 L HA 0.584 4.924 4.340 -0.000 0.000 0.269 89 L C -0.172 176.883 176.870 0.309 0.000 1.005 89 L CA -0.628 54.336 54.840 0.207 0.000 0.819 89 L CB 2.736 44.885 42.059 0.151 0.000 1.311 89 L HN 0.588 nan 8.230 nan 0.000 0.423 90 E N 1.144 121.470 120.200 0.210 0.000 2.256 90 E HA 0.239 4.589 4.350 -0.000 0.000 0.268 90 E C -1.820 174.745 176.600 -0.059 0.000 0.877 90 E CA -0.679 55.776 56.400 0.090 0.000 0.757 90 E CB 2.180 31.895 29.700 0.025 0.000 1.183 90 E HN 0.491 nan 8.360 nan 0.000 0.418 91 Y N 4.024 124.001 120.300 -0.539 0.000 2.465 91 Y HA 0.166 4.716 4.550 -0.000 0.000 0.331 91 Y C -0.494 175.232 175.900 -0.289 0.000 1.102 91 Y CA 0.366 58.146 58.100 -0.534 0.000 1.358 91 Y CB 0.476 38.364 38.460 -0.954 0.000 1.213 91 Y HN 0.221 nan 8.280 nan 0.000 0.525 92 K N 6.004 126.357 120.400 -0.077 0.000 2.507 92 K HA 0.194 4.514 4.320 -0.000 0.000 0.251 92 K C -1.529 175.074 176.600 0.006 0.000 0.943 92 K CA -0.764 55.525 56.287 0.004 0.000 0.794 92 K CB 2.051 34.520 32.500 -0.052 0.000 1.188 92 K HN 0.709 nan 8.250 nan 0.000 0.428 93 Q N 1.411 121.263 119.800 0.086 0.000 2.357 93 Q HA 0.277 4.617 4.340 -0.000 0.000 0.266 93 Q C -0.930 175.078 176.000 0.014 0.000 1.021 93 Q CA -0.263 55.579 55.803 0.064 0.000 0.784 93 Q CB 1.084 29.903 28.738 0.135 0.000 1.243 93 Q HN 0.426 nan 8.270 nan 0.000 0.465 94 S N 3.390 119.084 115.700 -0.010 0.000 4.087 94 S HA 0.281 4.751 4.470 -0.000 0.000 0.213 94 S C 0.925 175.517 174.600 -0.012 0.000 1.415 94 S CA 0.309 58.499 58.200 -0.015 0.000 0.893 94 S CB 0.107 63.293 63.200 -0.024 0.000 1.529 94 S HN 1.023 nan 8.310 nan 0.000 0.457 95 G N 2.968 111.763 108.800 -0.008 0.000 5.431 95 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.322 95 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.322 95 G C 0.644 175.541 174.900 -0.005 0.000 1.370 95 G CA 0.585 45.680 45.100 -0.008 0.000 0.963 95 G HN 0.572 nan 8.290 nan 0.000 0.797 96 E N 0.648 120.843 120.200 -0.009 0.000 2.539 96 E HA 0.277 4.627 4.350 -0.000 0.000 0.215 96 E C 0.302 176.893 176.600 -0.016 0.000 0.965 96 E CA 0.462 56.856 56.400 -0.010 0.000 1.019 96 E CB 0.953 30.645 29.700 -0.013 0.000 1.059 96 E HN 0.366 nan 8.360 nan 0.000 0.496 97 S N 2.736 118.423 115.700 -0.022 0.000 2.430 97 S HA 0.330 4.800 4.470 -0.000 0.000 0.289 97 S C 0.395 174.964 174.600 -0.053 0.000 1.143 97 S CA -0.497 57.680 58.200 -0.039 0.000 1.067 97 S CB 0.803 63.977 63.200 -0.043 0.000 0.964 97 S HN 0.077 nan 8.310 nan 0.000 0.485 98 I N 3.709 124.232 120.570 -0.078 0.000 2.371 98 I HA 0.388 4.558 4.170 -0.000 0.000 0.290 98 I C 0.042 176.032 176.117 -0.212 0.000 1.028 98 I CA -0.102 61.104 61.300 -0.157 0.000 1.345 98 I CB 0.526 38.425 38.000 -0.169 0.000 1.407 98 I HN 0.473 nan 8.210 nan 0.000 0.501 99 D N 6.429 126.658 120.400 -0.284 0.000 2.964 99 D HA 0.411 5.051 4.640 -0.000 0.000 0.234 99 D C -0.575 175.558 176.300 -0.280 0.000 1.223 99 D CA -0.255 53.609 54.000 -0.227 0.000 0.889 99 D CB 2.984 43.700 40.800 -0.140 0.000 1.609 99 D HN 0.132 nan 8.370 nan 0.000 0.523 100 I N 3.320 123.765 120.570 -0.209 0.000 2.312 100 I HA 0.363 4.533 4.170 -0.000 0.000 0.290 100 I C 0.532 176.600 176.117 -0.081 0.000 1.008 100 I CA -0.703 60.517 61.300 -0.133 0.000 1.226 100 I CB 0.683 38.634 38.000 -0.081 0.000 1.371 100 I HN 0.278 nan 8.210 nan 0.000 0.468 101 I N 2.186 122.728 120.570 -0.047 0.000 2.412 101 I HA 0.465 4.635 4.170 -0.000 0.000 0.296 101 I C 0.305 176.420 176.117 -0.003 0.000 0.987 101 I CA -0.510 60.770 61.300 -0.034 0.000 1.180 101 I CB 1.600 39.582 38.000 -0.030 0.000 1.340 101 I HN 0.320 nan 8.210 nan 0.000 0.455 102 T N 6.086 120.626 114.554 -0.023 0.000 2.855 102 T HA 0.233 4.583 4.350 -0.000 0.000 0.290 102 T C 1.221 175.945 174.700 0.039 0.000 0.941 102 T CA -0.358 61.737 62.100 -0.007 0.000 1.030 102 T CB 0.244 69.053 68.868 -0.099 0.000 0.935 102 T HN 0.526 nan 8.240 nan 0.000 0.564 103 R N 2.060 122.611 120.500 0.085 0.000 2.064 103 R HA 0.133 4.473 4.340 -0.000 0.000 0.228 103 R C 0.938 177.320 176.300 0.137 0.000 1.144 103 R CA 0.730 56.892 56.100 0.104 0.000 0.932 103 R CB -0.180 30.194 30.300 0.123 0.000 0.833 103 R HN 0.621 nan 8.270 nan 0.000 0.429 104 A N 1.278 124.203 122.820 0.176 0.000 2.435 104 A HA 0.580 4.900 4.320 -0.000 0.000 0.304 104 A C -1.054 176.680 177.584 0.250 0.000 1.064 104 A CA -0.650 51.505 52.037 0.197 0.000 0.727 104 A CB 1.421 20.518 19.000 0.161 0.000 1.284 104 A HN 0.555 nan 8.150 nan 0.000 0.415 105 H N -0.071 119.034 119.070 0.057 0.000 3.079 105 H HA 0.764 5.320 4.556 -0.000 0.000 0.356 105 H C -0.674 174.668 175.328 0.024 0.000 1.221 105 H CA -0.300 55.771 56.048 0.038 0.000 1.185 105 H CB 1.268 31.041 29.762 0.018 0.000 1.882 105 H HN 1.598 nan 8.280 nan 0.000 0.543 106 G N 1.178 109.879 108.800 -0.165 0.000 2.523 106 G HA2 0.124 4.084 3.960 -0.000 0.000 0.291 106 G HA3 0.124 4.084 3.960 -0.000 0.000 0.291 106 G C -1.710 173.143 174.900 -0.079 0.000 1.450 106 G CA -0.991 43.979 45.100 -0.216 0.000 0.790 106 G HN 0.630 nan 8.290 nan 0.000 0.496 107 N N 0.843 119.486 118.700 -0.094 0.000 2.500 107 N HA 0.212 4.952 4.740 -0.000 0.000 0.236 107 N C 1.361 176.867 175.510 -0.007 0.000 1.022 107 N CA -0.133 52.889 53.050 -0.047 0.000 0.935 107 N CB 1.573 39.981 38.487 -0.132 0.000 1.147 107 N HN 0.737 nan 8.380 nan 0.000 0.512 108 V N 1.442 121.377 119.914 0.035 0.000 3.630 108 V HA 0.033 4.153 4.120 -0.000 0.000 0.273 108 V C 0.995 177.068 176.094 -0.035 0.000 1.248 108 V CA -0.107 62.194 62.300 0.003 0.000 1.170 108 V CB -1.170 30.661 31.823 0.012 0.000 0.899 108 V HN 0.654 nan 8.190 nan 0.000 0.457 109 Q N 0.456 120.246 119.800 -0.017 0.000 2.395 109 Q HA 0.141 4.481 4.340 -0.000 0.000 0.271 109 Q C -0.577 175.403 176.000 -0.035 0.000 1.026 109 Q CA -0.165 55.564 55.803 -0.123 0.000 0.900 109 Q CB 0.452 29.189 28.738 -0.002 0.000 1.266 109 Q HN 0.447 nan 8.270 nan 0.000 0.430 110 D N 1.210 121.622 120.400 0.020 0.000 2.371 110 D HA 0.063 4.703 4.640 -0.000 0.000 0.242 110 D C 0.470 176.738 176.300 -0.053 0.000 1.218 110 D CA -0.360 53.631 54.000 -0.016 0.000 0.945 110 D CB 0.772 41.526 40.800 -0.076 0.000 1.137 110 D HN 0.461 nan 8.370 nan 0.000 0.464 111 R N 0.005 120.469 120.500 -0.060 0.000 2.320 111 R HA 0.219 4.559 4.340 -0.000 0.000 0.211 111 R C -0.703 175.555 176.300 -0.069 0.000 0.931 111 R CA -0.005 56.072 56.100 -0.038 0.000 1.071 111 R CB -0.999 29.289 30.300 -0.020 0.000 1.025 111 R HN 0.410 nan 8.270 nan 0.000 0.495 112 I N -5.083 115.393 120.570 -0.158 0.000 3.021 112 I HA 0.688 4.857 4.170 -0.000 0.000 0.305 112 I C -0.472 175.379 176.117 -0.445 0.000 1.434 112 I CA -1.026 60.153 61.300 -0.201 0.000 0.969 112 I CB 1.565 39.473 38.000 -0.152 0.000 1.328 112 I HN 0.009 nan 8.210 nan 0.000 0.486 113 G N 1.881 110.441 108.800 -0.401 0.000 3.014 113 G HA2 0.362 4.322 3.960 -0.000 0.000 0.683 113 G HA3 0.362 4.322 3.960 -0.000 0.000 0.683 113 G C -1.170 173.515 174.900 -0.358 0.000 1.271 113 G CA -0.865 43.864 45.100 -0.617 0.000 0.843 113 G HN 1.124 nan 8.290 nan 0.000 0.612 114 R N 2.183 122.645 120.500 -0.064 0.000 2.297 114 R HA 0.588 4.928 4.340 -0.000 0.000 0.308 114 R C -2.689 173.812 176.300 0.336 0.000 1.029 114 R CA -1.685 54.497 56.100 0.136 0.000 0.929 114 R CB 1.069 31.416 30.300 0.079 0.000 1.046 114 R HN 0.238 nan 8.270 nan 0.000 0.461 115 P HA 0.009 nan 4.420 nan 0.000 0.266 115 P C -0.534 176.879 177.300 0.189 0.000 1.195 115 P CA 0.250 63.535 63.100 0.309 0.000 0.768 115 P CB 0.510 32.375 31.700 0.274 0.000 0.838 116 S N 1.780 117.565 115.700 0.141 0.000 2.572 116 S HA 0.007 4.477 4.470 -0.000 0.000 0.279 116 S C 1.314 175.967 174.600 0.088 0.000 1.341 116 S CA -0.435 57.830 58.200 0.108 0.000 1.043 116 S CB 0.252 63.512 63.200 0.099 0.000 0.887 116 S HN 0.454 nan 8.310 nan 0.000 0.516 117 E N 1.441 121.682 120.200 0.068 0.000 2.160 117 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 117 E C 1.271 177.910 176.600 0.065 0.000 0.991 117 E CA 1.516 57.946 56.400 0.049 0.000 0.810 117 E CB -0.326 29.385 29.700 0.018 0.000 0.742 117 E HN 0.678 nan 8.360 nan 0.000 0.466 118 T N -0.257 114.352 114.554 0.092 0.000 3.148 118 T HA 0.257 4.607 4.350 -0.000 0.000 0.253 118 T C 0.792 175.528 174.700 0.061 0.000 1.134 118 T CA 0.276 62.427 62.100 0.085 0.000 1.051 118 T CB 0.308 69.240 68.868 0.106 0.000 0.959 118 T HN 0.418 nan 8.240 nan 0.000 0.525 119 G N 1.647 110.483 108.800 0.061 0.000 2.728 119 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.294 119 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.294 119 G C -0.567 174.355 174.900 0.038 0.000 1.342 119 G CA -0.950 44.180 45.100 0.050 0.000 0.866 119 G HN 0.439 nan 8.290 nan 0.000 0.534 120 I N 0.532 121.120 120.570 0.030 0.000 2.556 120 I HA 0.332 4.502 4.170 -0.000 0.000 0.284 120 I C 0.794 176.918 176.117 0.012 0.000 1.114 120 I CA 0.233 61.544 61.300 0.018 0.000 1.418 120 I CB 0.492 38.510 38.000 0.029 0.000 1.394 120 I HN 0.352 nan 8.210 nan 0.000 0.552 121 I N 5.516 126.084 120.570 -0.003 0.000 2.389 121 I HA 0.465 4.635 4.170 -0.000 0.000 0.288 121 I C 0.393 176.505 176.117 -0.008 0.000 0.999 121 I CA -0.390 60.914 61.300 0.006 0.000 1.129 121 I CB 1.725 39.732 38.000 0.013 0.000 1.288 121 I HN 0.632 nan 8.210 nan 0.000 0.444 122 G N 7.483 116.299 108.800 0.026 0.000 2.470 122 G HA2 0.806 4.766 3.960 -0.000 0.000 0.320 122 G HA3 0.806 4.766 3.960 -0.000 0.000 0.320 122 G C -0.816 174.098 174.900 0.025 0.000 1.245 122 G CA -0.476 44.646 45.100 0.036 0.000 0.935 122 G HN 0.642 nan 8.290 nan 0.000 0.476 123 I N -0.563 119.991 120.570 -0.026 0.000 2.769 123 I HA 0.654 4.824 4.170 -0.000 0.000 0.298 123 I C -0.910 175.262 176.117 0.093 0.000 1.128 123 I CA -1.418 59.884 61.300 0.004 0.000 1.031 123 I CB 2.612 40.530 38.000 -0.137 0.000 1.235 123 I HN 0.225 nan 8.210 nan 0.000 0.423 124 I N 2.340 123.012 120.570 0.170 0.000 2.433 124 I HA 0.283 4.453 4.170 -0.000 0.000 0.292 124 I C -0.409 175.863 176.117 0.258 0.000 1.001 124 I CA -0.532 60.846 61.300 0.131 0.000 1.119 124 I CB 1.768 39.726 38.000 -0.069 0.000 1.289 124 I HN 0.661 nan 8.210 nan 0.000 0.438 125 D N 7.691 128.077 120.400 -0.023 0.000 2.583 125 D HA -0.012 4.628 4.640 -0.000 0.000 0.232 125 D C -1.664 174.576 176.300 -0.099 0.000 1.128 125 D CA -0.658 53.089 54.000 -0.421 0.000 0.859 125 D CB 1.037 41.538 40.800 -0.498 0.000 1.169 125 D HN 0.250 nan 8.370 nan 0.000 0.481 126 P HA -0.080 nan 4.420 nan 0.000 0.228 126 P C 0.106 177.486 177.300 0.133 0.000 1.151 126 P CA 0.893 64.046 63.100 0.089 0.000 0.770 126 P CB 0.233 31.974 31.700 0.068 0.000 0.786 127 E N -2.124 118.100 120.200 0.039 0.000 2.651 127 E HA 0.140 4.490 4.350 -0.000 0.000 0.208 127 E C -0.180 176.452 176.600 0.054 0.000 0.997 127 E CA -0.142 56.292 56.400 0.057 0.000 1.020 127 E CB -0.344 29.373 29.700 0.028 0.000 1.052 127 E HN -0.048 nan 8.360 nan 0.000 0.465 128 C N 0.355 119.695 119.300 0.066 0.000 4.184 128 C HA -0.229 4.231 4.460 -0.000 0.000 0.295 128 C C 1.870 176.883 174.990 0.038 0.000 1.477 128 C CA 1.063 60.142 59.018 0.102 0.000 2.037 128 C CB -2.117 25.781 27.740 0.263 0.000 1.282 128 C HN 0.575 nan 8.230 nan 0.000 0.783 129 R N -0.218 120.264 120.500 -0.031 0.000 2.073 129 R HA 0.003 4.343 4.340 -0.000 0.000 0.229 129 R C 0.787 177.060 176.300 -0.046 0.000 1.120 129 R CA 1.872 57.952 56.100 -0.032 0.000 0.967 129 R CB 0.057 30.325 30.300 -0.055 0.000 0.862 129 R HN 0.750 nan 8.270 nan 0.000 0.436 130 M N -1.539 117.998 119.600 -0.104 0.000 2.683 130 M HA 0.418 4.898 4.480 -0.000 0.000 0.274 130 M C -1.177 175.051 176.300 -0.120 0.000 1.272 130 M CA -0.968 54.278 55.300 -0.091 0.000 0.833 130 M CB 1.505 34.091 32.600 -0.025 0.000 1.708 130 M HN -0.331 nan 8.290 nan 0.000 0.463 131 I N 1.266 121.735 120.570 -0.168 0.000 2.359 131 I HA 0.740 4.910 4.170 -0.000 0.000 0.294 131 I C 0.129 176.176 176.117 -0.116 0.000 0.987 131 I CA -0.272 60.885 61.300 -0.238 0.000 1.225 131 I CB 1.053 38.712 38.000 -0.568 0.000 1.366 131 I HN 0.954 nan 8.210 nan 0.000 0.466 132 G N 6.880 115.685 108.800 0.008 0.000 2.544 132 G HA2 0.718 4.678 3.960 -0.000 0.000 0.313 132 G HA3 0.718 4.678 3.960 -0.000 0.000 0.313 132 G C -1.149 173.501 174.900 -0.417 0.000 1.316 132 G CA -0.330 44.680 45.100 -0.149 0.000 0.944 132 G HN 0.392 nan 8.290 nan 0.000 0.489 133 L N 1.421 122.171 121.223 -0.789 0.000 2.370 133 L HA 0.675 5.015 4.340 -0.000 0.000 0.266 133 L C 0.038 176.542 176.870 -0.610 0.000 1.002 133 L CA -1.143 53.390 54.840 -0.512 0.000 0.818 133 L CB 2.352 44.240 42.059 -0.286 0.000 1.325 133 L HN 0.340 nan 8.230 nan 0.000 0.418 134 R N 2.254 122.589 120.500 -0.276 0.000 2.272 134 R HA 0.480 4.820 4.340 -0.000 0.000 0.323 134 R C -0.301 175.883 176.300 -0.193 0.000 1.002 134 R CA -0.150 55.852 56.100 -0.164 0.000 0.900 134 R CB 0.599 30.890 30.300 -0.014 0.000 1.151 134 R HN 0.857 nan 8.270 nan 0.000 0.507 135 L N 3.570 124.580 121.223 -0.355 0.000 2.286 135 L HA 0.231 4.571 4.340 -0.000 0.000 0.203 135 L C -0.030 176.446 176.870 -0.656 0.000 1.068 135 L CA 0.613 55.071 54.840 -0.636 0.000 0.811 135 L CB 0.060 41.370 42.059 -1.249 0.000 0.989 135 L HN 0.437 nan 8.230 nan 0.000 0.467 136 Y N -1.576 118.716 120.300 -0.013 0.000 2.602 136 Y HA 0.355 4.905 4.550 -0.000 0.000 0.342 136 Y C -0.405 175.508 175.900 0.023 0.000 1.029 136 Y CA -1.587 56.519 58.100 0.008 0.000 1.080 136 Y CB 0.762 39.211 38.460 -0.019 0.000 1.284 136 Y HN -0.193 nan 8.280 nan 0.000 0.485 137 D N 0.659 121.181 120.400 0.203 0.000 2.390 137 D HA 0.305 4.945 4.640 -0.000 0.000 0.249 137 D C 0.939 177.310 176.300 0.118 0.000 1.144 137 D CA 1.582 55.662 54.000 0.133 0.000 0.880 137 D CB 1.164 42.030 40.800 0.109 0.000 1.182 137 D HN 0.888 nan 8.370 nan 0.000 0.451 138 G N 1.996 110.855 108.800 0.098 0.000 2.143 138 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.248 138 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.248 138 G C 0.047 175.012 174.900 0.108 0.000 0.991 138 G CA -0.059 45.094 45.100 0.089 0.000 0.689 138 G HN 0.445 nan 8.290 nan 0.000 0.522 139 L N -0.994 120.308 121.223 0.132 0.000 2.422 139 L HA 0.734 5.074 4.340 -0.000 0.000 0.264 139 L C -0.778 176.197 176.870 0.175 0.000 0.984 139 L CA -1.221 53.704 54.840 0.142 0.000 0.819 139 L CB 2.058 44.197 42.059 0.134 0.000 1.330 139 L HN 0.063 nan 8.230 nan 0.000 0.410 140 F N 2.903 122.872 119.950 0.032 0.000 2.444 140 F HA 0.476 5.003 4.527 -0.000 0.000 0.342 140 F C 0.019 175.764 175.800 -0.091 0.000 1.121 140 F CA -0.713 57.292 58.000 0.008 0.000 0.997 140 F CB 1.369 40.478 39.000 0.182 0.000 1.130 140 F HN 0.247 nan 8.300 nan 0.000 0.454 141 K N 4.472 124.448 120.400 -0.706 0.000 2.201 141 K HA 0.649 4.969 4.320 -0.000 0.000 0.278 141 K C -1.704 174.447 176.600 -0.748 0.000 1.027 141 K CA -0.369 55.572 56.287 -0.577 0.000 0.909 141 K CB 1.172 33.406 32.500 -0.443 0.000 1.062 141 K HN 0.470 nan 8.250 nan 0.000 0.465 142 V N 6.477 125.970 119.914 -0.702 0.000 2.444 142 V HA 0.415 4.535 4.120 -0.000 0.000 0.294 142 V C -0.443 175.302 176.094 -0.582 0.000 1.022 142 V CA -0.801 61.096 62.300 -0.672 0.000 0.850 142 V CB 1.450 32.766 31.823 -0.845 0.000 0.992 142 V HN 0.666 nan 8.190 nan 0.000 0.426 143 I N 6.449 126.823 120.570 -0.326 0.000 2.304 143 I HA 0.339 4.508 4.170 -0.000 0.000 0.291 143 I C -2.392 173.661 176.117 -0.107 0.000 1.018 143 I CA -2.055 59.130 61.300 -0.192 0.000 1.260 143 I CB 1.572 39.472 38.000 -0.166 0.000 1.390 143 I HN 0.380 nan 8.210 nan 0.000 0.475 144 P HA -0.006 nan 4.420 nan 0.000 0.263 144 P C 0.364 177.673 177.300 0.015 0.000 1.247 144 P CA -0.059 63.075 63.100 0.056 0.000 0.876 144 P CB 0.635 32.412 31.700 0.128 0.000 0.928 145 L N 4.415 125.629 121.223 -0.015 0.000 2.162 145 L HA 0.034 4.374 4.340 -0.000 0.000 0.205 145 L C 0.732 177.627 176.870 0.042 0.000 1.086 145 L CA 1.044 55.878 54.840 -0.010 0.000 0.778 145 L CB -0.790 41.222 42.059 -0.078 0.000 0.928 145 L HN 0.284 nan 8.230 nan 0.000 0.446 146 D N 1.661 122.083 120.400 0.037 0.000 2.525 146 D HA -0.058 4.582 4.640 -0.000 0.000 0.235 146 D C -0.178 176.151 176.300 0.049 0.000 1.137 146 D CA 0.004 54.032 54.000 0.047 0.000 0.868 146 D CB 0.426 41.248 40.800 0.036 0.000 1.180 146 D HN 0.089 nan 8.370 nan 0.000 0.465 147 R N 0.668 121.199 120.500 0.052 0.000 3.777 147 R HA -0.192 4.148 4.340 -0.000 0.000 0.525 147 R C -0.724 175.607 176.300 0.051 0.000 0.241 147 R CA 0.348 56.476 56.100 0.046 0.000 1.635 147 R CB -1.122 29.200 30.300 0.036 0.000 1.033 147 R HN 0.695 nan 8.270 nan 0.000 0.552 148 D N 1.369 121.796 120.400 0.045 0.000 2.348 148 D HA 0.161 4.801 4.640 -0.000 0.000 0.259 148 D C -0.139 176.187 176.300 0.044 0.000 1.296 148 D CA 0.438 54.466 54.000 0.047 0.000 0.931 148 D CB -0.086 40.738 40.800 0.040 0.000 1.067 148 D HN 0.288 nan 8.370 nan 0.000 0.503 149 N N 2.692 121.422 118.700 0.051 0.000 2.609 149 N HA 0.144 4.884 4.740 -0.000 0.000 0.268 149 N C 0.018 175.558 175.510 0.050 0.000 1.106 149 N CA -0.451 52.625 53.050 0.044 0.000 0.823 149 N CB 0.819 39.331 38.487 0.042 0.000 1.263 149 N HN 0.067 nan 8.380 nan 0.000 0.533 150 K N 1.429 121.856 120.400 0.044 0.000 2.352 150 K HA 0.101 4.421 4.320 -0.000 0.000 0.194 150 K C 0.036 176.654 176.600 0.031 0.000 1.038 150 K CA 0.610 56.932 56.287 0.058 0.000 1.023 150 K CB 0.657 33.197 32.500 0.068 0.000 0.840 150 K HN 0.476 nan 8.250 nan 0.000 0.519 151 E N 0.647 120.839 120.200 -0.014 0.000 2.479 151 E HA 0.107 4.457 4.350 -0.000 0.000 0.193 151 E C 0.005 176.559 176.600 -0.077 0.000 1.049 151 E CA 0.067 56.410 56.400 -0.094 0.000 0.870 151 E CB -0.084 29.562 29.700 -0.090 0.000 0.944 151 E HN 0.082 nan 8.360 nan 0.000 0.492 152 L N 0.475 121.689 121.223 -0.015 0.000 3.865 152 L HA -0.291 4.049 4.340 -0.000 0.000 0.408 152 L C 0.500 177.364 176.870 -0.011 0.000 1.209 152 L CA 0.203 55.045 54.840 0.004 0.000 0.940 152 L CB -1.414 40.665 42.059 0.033 0.000 1.971 152 L HN 0.219 nan 8.230 nan 0.000 0.899 153 K N 1.098 121.493 120.400 -0.008 0.000 2.561 153 K HA 0.326 4.646 4.320 -0.000 0.000 0.280 153 K C 0.321 176.927 176.600 0.009 0.000 0.975 153 K CA 0.973 57.261 56.287 0.001 0.000 1.024 153 K CB 0.455 32.965 32.500 0.017 0.000 0.883 153 K HN 0.335 nan 8.250 nan 0.000 0.496 154 A N 3.714 126.537 122.820 0.004 0.000 2.515 154 A HA 0.602 4.922 4.320 -0.000 0.000 0.298 154 A C -1.164 176.430 177.584 0.016 0.000 1.059 154 A CA -0.939 51.073 52.037 -0.041 0.000 0.698 154 A CB 0.704 19.628 19.000 -0.128 0.000 1.289 154 A HN 0.668 nan 8.150 nan 0.000 0.404 155 F N 0.225 120.147 119.950 -0.047 0.000 2.557 155 F HA 0.806 5.333 4.527 -0.000 0.000 0.336 155 F C -0.256 175.510 175.800 -0.057 0.000 1.058 155 F CA -1.138 56.833 58.000 -0.048 0.000 0.988 155 F CB 1.181 40.153 39.000 -0.047 0.000 1.275 155 F HN 0.517 nan 8.300 nan 0.000 0.488 156 N N 0.371 119.147 118.700 0.127 0.000 2.319 156 N HA 0.649 5.389 4.740 -0.000 0.000 0.305 156 N C -1.547 174.032 175.510 0.115 0.000 1.103 156 N CA -0.762 52.299 53.050 0.019 0.000 0.815 156 N CB 2.315 40.815 38.487 0.022 0.000 1.288 156 N HN 0.506 nan 8.380 nan 0.000 0.493 157 I N 0.930 121.511 120.570 0.019 0.000 2.474 157 I HA 0.353 4.523 4.170 -0.000 0.000 0.294 157 I C 0.247 176.341 176.117 -0.038 0.000 1.005 157 I CA -0.809 60.427 61.300 -0.106 0.000 1.113 157 I CB 1.783 39.468 38.000 -0.524 0.000 1.289 157 I HN 0.341 nan 8.210 nan 0.000 0.436 158 R N 5.623 126.102 120.500 -0.035 0.000 2.537 158 R HA 0.356 4.696 4.340 -0.000 0.000 0.280 158 R C -0.949 175.439 176.300 0.148 0.000 1.058 158 R CA -0.092 56.035 56.100 0.045 0.000 1.057 158 R CB 0.567 30.879 30.300 0.020 0.000 0.973 158 R HN 0.625 nan 8.270 nan 0.000 0.438 159 L N 4.766 126.096 121.223 0.177 0.000 2.457 159 L HA 0.170 4.510 4.340 -0.000 0.000 0.252 159 L C 0.294 177.222 176.870 0.096 0.000 1.132 159 L CA -0.327 54.644 54.840 0.219 0.000 0.938 159 L CB 1.127 43.301 42.059 0.192 0.000 1.246 159 L HN 0.818 nan 8.230 nan 0.000 0.476 160 E N 0.807 121.057 120.200 0.084 0.000 2.208 160 E HA -0.233 4.117 4.350 -0.000 0.000 0.202 160 E C 0.002 176.616 176.600 0.024 0.000 1.014 160 E CA 1.363 57.794 56.400 0.051 0.000 0.819 160 E CB 0.084 29.812 29.700 0.047 0.000 0.735 160 E HN 0.460 nan 8.360 nan 0.000 0.469 161 E N -0.097 120.091 120.200 -0.020 0.000 1.944 161 E HA 0.030 4.380 4.350 -0.000 0.000 0.272 161 E C 0.844 177.439 176.600 -0.007 0.000 1.195 161 E CA -0.054 56.293 56.400 -0.089 0.000 0.926 161 E CB 0.104 29.641 29.700 -0.271 0.000 1.051 161 E HN 0.220 nan 8.360 nan 0.000 0.404 162 L N 0.988 122.256 121.223 0.076 0.000 1.976 162 L HA -0.065 4.275 4.340 -0.000 0.000 0.209 162 L C 1.394 178.363 176.870 0.166 0.000 1.071 162 L CA 1.374 56.278 54.840 0.106 0.000 0.746 162 L CB -0.571 41.554 42.059 0.110 0.000 0.890 162 L HN 0.489 nan 8.230 nan 0.000 0.432 163 H N 1.346 120.472 119.070 0.093 0.000 2.908 163 H HA 0.425 4.981 4.556 -0.000 0.000 0.269 163 H C -1.183 174.218 175.328 0.122 0.000 1.303 163 H CA -0.811 55.294 56.048 0.095 0.000 1.341 163 H CB 0.499 30.319 29.762 0.096 0.000 1.519 163 H HN 0.017 nan 8.280 nan 0.000 0.505 164 V N 7.193 127.144 119.914 0.062 0.000 2.432 164 V HA -0.021 4.099 4.120 -0.000 0.000 0.275 164 V C 1.085 177.128 176.094 -0.085 0.000 1.043 164 V CA -0.398 61.882 62.300 -0.033 0.000 0.925 164 V CB 1.215 32.967 31.823 -0.118 0.000 0.985 164 V HN 0.778 nan 8.190 nan 0.000 0.466 165 I N 2.085 122.601 120.570 -0.090 0.000 2.429 165 I HA 0.203 4.373 4.170 -0.000 0.000 0.247 165 I C 0.593 176.704 176.117 -0.010 0.000 1.099 165 I CA 1.209 62.451 61.300 -0.096 0.000 1.422 165 I CB -0.200 37.723 38.000 -0.129 0.000 1.112 165 I HN 0.701 nan 8.210 nan 0.000 0.430 166 D N -0.009 120.407 120.400 0.027 0.000 2.878 166 D HA 0.371 5.011 4.640 -0.000 0.000 0.211 166 D C -0.914 175.423 176.300 0.062 0.000 1.271 166 D CA -0.173 53.851 54.000 0.039 0.000 0.845 166 D CB 2.035 42.858 40.800 0.037 0.000 1.679 166 D HN -0.106 nan 8.370 nan 0.000 0.536 167 V N 0.533 120.466 119.914 0.032 0.000 2.769 167 V HA 0.942 5.062 4.120 -0.000 0.000 0.312 167 V C -0.335 175.729 176.094 -0.050 0.000 1.058 167 V CA -0.633 61.668 62.300 0.001 0.000 0.952 167 V CB 1.822 33.616 31.823 -0.049 0.000 1.019 167 V HN 0.524 nan 8.190 nan 0.000 0.445 168 K N 1.847 122.187 120.400 -0.099 0.000 2.546 168 K HA 0.594 4.914 4.320 -0.000 0.000 0.264 168 K C -1.550 174.965 176.600 -0.140 0.000 0.937 168 K CA -0.467 55.755 56.287 -0.109 0.000 0.833 168 K CB 2.081 34.570 32.500 -0.018 0.000 1.378 168 K HN 0.663 nan 8.250 nan 0.000 0.432 169 F N 3.470 123.390 119.950 -0.051 0.000 2.427 169 F HA 0.300 4.826 4.527 -0.000 0.000 0.352 169 F C 0.551 176.245 175.800 -0.177 0.000 1.100 169 F CA -0.679 57.265 58.000 -0.094 0.000 1.191 169 F CB 0.621 39.568 39.000 -0.089 0.000 1.128 169 F HN 0.135 nan 8.300 nan 0.000 0.533 170 L N 4.030 125.326 121.223 0.121 0.000 2.436 170 L HA 0.165 4.505 4.340 -0.000 0.000 0.265 170 L C -0.574 176.307 176.870 0.019 0.000 1.168 170 L CA -0.390 54.483 54.840 0.055 0.000 0.815 170 L CB 0.611 42.737 42.059 0.112 0.000 1.109 170 L HN 0.520 nan 8.230 nan 0.000 0.462 171 Y N 0.040 120.444 120.300 0.173 0.000 2.308 171 Y HA 0.363 4.913 4.550 -0.000 0.000 0.329 171 Y C 1.001 176.982 175.900 0.135 0.000 1.111 171 Y CA 0.019 58.209 58.100 0.151 0.000 1.179 171 Y CB 1.610 40.171 38.460 0.169 0.000 1.201 171 Y HN 0.746 nan 8.280 nan 0.000 0.483 172 G N 1.957 110.928 108.800 0.285 0.000 2.422 172 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.290 172 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.290 172 G C -0.910 174.081 174.900 0.152 0.000 1.059 172 G CA -0.297 44.917 45.100 0.191 0.000 1.242 172 G HN 0.719 nan 8.290 nan 0.000 0.520 173 C N 0.162 119.533 119.300 0.118 0.000 2.898 173 C HA 0.554 5.014 4.460 -0.000 0.000 0.304 173 C C 1.115 176.144 174.990 0.066 0.000 1.237 173 C CA -0.857 58.217 59.018 0.094 0.000 1.529 173 C CB 2.009 29.802 27.740 0.088 0.000 2.021 173 C HN 0.645 nan 8.230 nan 0.000 0.474 174 Q N 0.716 120.551 119.800 0.058 0.000 2.541 174 Q HA 0.282 4.622 4.340 -0.000 0.000 0.215 174 Q C 0.539 176.559 176.000 0.034 0.000 0.977 174 Q CA 0.773 56.602 55.803 0.045 0.000 0.934 174 Q CB 0.015 28.779 28.738 0.043 0.000 0.988 174 Q HN 0.853 nan 8.270 nan 0.000 0.521 175 A N -0.620 122.219 122.820 0.032 0.000 2.587 175 A HA 0.632 4.952 4.320 -0.000 0.000 0.293 175 A C -2.764 174.823 177.584 0.005 0.000 1.087 175 A CA -1.828 50.222 52.037 0.022 0.000 0.692 175 A CB 1.024 20.045 19.000 0.034 0.000 1.291 175 A HN -0.149 nan 8.150 nan 0.000 0.407 176 P HA 0.180 nan 4.420 nan 0.000 0.258 176 P C -0.542 176.773 177.300 0.025 0.000 1.187 176 P CA 0.940 63.975 63.100 -0.109 0.000 0.767 176 P CB 0.325 31.916 31.700 -0.181 0.000 0.770 177 T N 5.263 119.855 114.554 0.063 0.000 2.815 177 T HA 0.470 4.820 4.350 -0.000 0.000 0.289 177 T C 0.014 174.837 174.700 0.204 0.000 1.000 177 T CA -0.407 61.755 62.100 0.102 0.000 0.958 177 T CB 0.539 69.424 68.868 0.028 0.000 0.944 177 T HN 0.254 nan 8.240 nan 0.000 0.442 178 I N 2.783 123.449 120.570 0.160 0.000 2.437 178 I HA 0.649 4.819 4.170 -0.000 0.000 0.298 178 I C -0.489 175.544 176.117 -0.139 0.000 0.984 178 I CA -0.612 60.717 61.300 0.047 0.000 1.214 178 I CB 0.636 38.575 38.000 -0.103 0.000 1.365 178 I HN 0.718 nan 8.210 nan 0.000 0.469 179 C N 8.304 127.521 119.300 -0.138 0.000 2.482 179 C HA 0.804 5.264 4.460 -0.000 0.000 0.317 179 C C -0.952 173.980 174.990 -0.098 0.000 1.197 179 C CA -0.540 58.341 59.018 -0.228 0.000 1.432 179 C CB 0.446 28.090 27.740 -0.161 0.000 2.062 179 C HN 0.706 nan 8.230 nan 0.000 0.471 180 F N 3.833 123.643 119.950 -0.234 0.000 2.619 180 F HA 0.769 5.296 4.527 -0.000 0.000 0.308 180 F C -1.348 174.399 175.800 -0.087 0.000 1.097 180 F CA -1.168 56.738 58.000 -0.157 0.000 0.953 180 F CB 0.763 39.661 39.000 -0.169 0.000 1.287 180 F HN 0.348 nan 8.300 nan 0.000 0.446 181 V N 3.598 123.589 119.914 0.128 0.000 2.465 181 V HA 0.430 4.550 4.120 -0.000 0.000 0.279 181 V C -0.485 175.756 176.094 0.245 0.000 1.045 181 V CA -0.466 61.863 62.300 0.049 0.000 0.938 181 V CB 0.790 32.574 31.823 -0.065 0.000 0.986 181 V HN 0.888 nan 8.190 nan 0.000 0.467 182 Y N 2.513 122.868 120.300 0.091 0.000 2.773 182 Y HA 0.857 5.407 4.550 -0.000 0.000 0.323 182 Y C -0.429 175.432 175.900 -0.066 0.000 1.183 182 Y CA -1.475 56.664 58.100 0.065 0.000 1.144 182 Y CB 1.637 40.257 38.460 0.267 0.000 1.340 182 Y HN 0.477 nan 8.280 nan 0.000 0.531 183 Q N 1.428 121.257 119.800 0.048 0.000 2.289 183 Q HA 0.419 4.759 4.340 -0.000 0.000 0.270 183 Q C -2.129 174.012 176.000 0.235 0.000 1.038 183 Q CA -0.612 55.178 55.803 -0.020 0.000 0.812 183 Q CB 2.089 30.808 28.738 -0.032 0.000 1.300 183 Q HN 0.840 nan 8.270 nan 0.000 0.427 184 D N 2.573 123.072 120.400 0.165 0.000 2.714 184 D HA 0.430 5.070 4.640 -0.000 0.000 0.278 184 D C -1.997 174.382 176.300 0.132 0.000 1.102 184 D CA -1.548 52.583 54.000 0.218 0.000 1.108 184 D CB 0.358 41.355 40.800 0.329 0.000 1.444 184 D HN 0.351 nan 8.370 nan 0.000 0.568 185 P HA -0.146 nan 4.420 nan 0.000 0.221 185 P C 0.845 178.193 177.300 0.080 0.000 1.145 185 P CA 1.270 64.420 63.100 0.084 0.000 0.795 185 P CB 0.262 32.008 31.700 0.076 0.000 0.775 186 Q N -0.624 119.255 119.800 0.131 0.000 2.331 186 Q HA 0.229 4.569 4.340 -0.000 0.000 0.203 186 Q C 1.525 177.571 176.000 0.076 0.000 0.944 186 Q CA 1.125 57.023 55.803 0.157 0.000 0.892 186 Q CB -0.187 28.718 28.738 0.278 0.000 0.983 186 Q HN 0.337 nan 8.270 nan 0.000 0.482 187 G N 0.333 109.096 108.800 -0.062 0.000 2.240 187 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.199 187 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.199 187 G C -1.344 173.225 174.900 -0.552 0.000 1.342 187 G CA -0.963 43.983 45.100 -0.256 0.000 1.145 187 G HN 0.084 nan 8.290 nan 0.000 0.477 188 R N 0.460 120.524 120.500 -0.728 0.000 2.562 188 R HA 0.712 5.052 4.340 -0.000 0.000 0.298 188 R C -0.923 174.741 176.300 -1.061 0.000 0.961 188 R CA -0.813 54.809 56.100 -0.797 0.000 0.881 188 R CB 1.603 31.654 30.300 -0.416 0.000 1.159 188 R HN 0.644 nan 8.270 nan 0.000 0.450 189 H N 0.403 119.066 119.070 -0.678 0.000 2.895 189 H HA 0.270 4.826 4.556 -0.000 0.000 0.373 189 H C -1.098 173.943 175.328 -0.478 0.000 1.174 189 H CA -0.843 54.868 56.048 -0.561 0.000 1.144 189 H CB 2.197 31.634 29.762 -0.542 0.000 1.793 189 H HN 0.241 nan 8.280 nan 0.000 0.551 190 V N 1.824 121.629 119.914 -0.180 0.000 2.439 190 V HA 0.365 4.485 4.120 -0.000 0.000 0.282 190 V C -0.185 175.752 176.094 -0.263 0.000 1.039 190 V CA -0.107 62.048 62.300 -0.242 0.000 0.913 190 V CB 0.992 32.637 31.823 -0.297 0.000 0.983 190 V HN 0.745 nan 8.190 nan 0.000 0.460 191 K N 3.869 123.897 120.400 -0.620 0.000 2.444 191 K HA 0.818 5.138 4.320 -0.000 0.000 0.252 191 K C -1.061 174.775 176.600 -1.272 0.000 0.993 191 K CA -0.495 55.261 56.287 -0.884 0.000 0.847 191 K CB 2.457 34.402 32.500 -0.924 0.000 1.340 191 K HN 0.780 nan 8.250 nan 0.000 0.446 192 T N -1.005 112.853 114.554 -1.160 0.000 2.909 192 T HA 0.520 4.870 4.350 -0.000 0.000 0.299 192 T C -1.018 173.174 174.700 -0.847 0.000 1.073 192 T CA -0.712 60.789 62.100 -0.997 0.000 0.999 192 T CB 0.719 68.948 68.868 -1.065 0.000 1.098 192 T HN 0.503 nan 8.240 nan 0.000 0.477 193 Y N -0.443 119.635 120.300 -0.370 0.000 2.638 193 Y HA 0.640 5.190 4.550 -0.000 0.000 0.339 193 Y C 0.126 175.964 175.900 -0.102 0.000 1.084 193 Y CA -1.410 56.535 58.100 -0.258 0.000 1.068 193 Y CB 2.227 40.411 38.460 -0.460 0.000 1.294 193 Y HN 0.621 nan 8.280 nan 0.000 0.480 194 E N 0.789 121.121 120.200 0.220 0.000 2.199 194 E HA 0.497 4.847 4.350 -0.000 0.000 0.269 194 E C -1.603 175.158 176.600 0.269 0.000 0.899 194 E CA -0.792 55.717 56.400 0.182 0.000 0.772 194 E CB 2.256 32.019 29.700 0.105 0.000 1.155 194 E HN 0.238 nan 8.360 nan 0.000 0.408 195 V N 2.389 122.453 119.914 0.250 0.000 2.350 195 V HA 0.273 4.393 4.120 -0.000 0.000 0.276 195 V C -0.115 176.071 176.094 0.154 0.000 1.028 195 V CA -0.557 61.897 62.300 0.255 0.000 0.860 195 V CB 1.296 33.312 31.823 0.322 0.000 0.990 195 V HN 0.521 nan 8.190 nan 0.000 0.453 196 S N 4.428 120.199 115.700 0.118 0.000 2.532 196 S HA 0.474 4.944 4.470 -0.000 0.000 0.318 196 S C 0.975 175.615 174.600 0.067 0.000 1.083 196 S CA -0.646 57.595 58.200 0.070 0.000 1.131 196 S CB 0.541 63.758 63.200 0.027 0.000 0.973 196 S HN 0.634 nan 8.310 nan 0.000 0.468 197 L N 4.010 125.300 121.223 0.112 0.000 2.197 197 L HA -0.144 4.196 4.340 -0.000 0.000 0.215 197 L C 2.618 179.452 176.870 -0.061 0.000 1.095 197 L CA 1.373 56.275 54.840 0.103 0.000 0.764 197 L CB -0.381 41.753 42.059 0.125 0.000 0.897 197 L HN 0.592 nan 8.230 nan 0.000 0.436 198 R N 0.653 121.128 120.500 -0.041 0.000 2.082 198 R HA -0.208 4.132 4.340 -0.000 0.000 0.234 198 R C 2.119 178.353 176.300 -0.111 0.000 1.136 198 R CA 2.103 58.166 56.100 -0.062 0.000 0.935 198 R CB -0.056 30.225 30.300 -0.031 0.000 0.842 198 R HN 0.632 nan 8.270 nan 0.000 0.430 199 E N -0.476 119.655 120.200 -0.115 0.000 2.447 199 E HA 0.080 4.430 4.350 -0.000 0.000 0.204 199 E C -0.458 176.012 176.600 -0.216 0.000 0.977 199 E CA -0.207 56.111 56.400 -0.137 0.000 0.950 199 E CB 0.426 30.075 29.700 -0.085 0.000 0.975 199 E HN 0.104 nan 8.360 nan 0.000 0.496 200 K N 1.684 121.917 120.400 -0.279 0.000 3.549 200 K HA -0.186 4.134 4.320 -0.000 0.000 0.275 200 K C -1.043 175.445 176.600 -0.186 0.000 1.060 200 K CA 1.118 57.141 56.287 -0.439 0.000 0.812 200 K CB -1.587 30.392 32.500 -0.868 0.000 1.374 200 K HN 0.662 nan 8.250 nan 0.000 0.455 201 E N -0.576 119.549 120.200 -0.124 0.000 2.417 201 E HA 0.347 4.697 4.350 -0.000 0.000 0.280 201 E C -0.903 175.571 176.600 -0.211 0.000 1.112 201 E CA -1.127 55.140 56.400 -0.222 0.000 0.863 201 E CB 0.664 30.275 29.700 -0.149 0.000 1.346 201 E HN -0.036 nan 8.360 nan 0.000 0.443 202 F N 0.654 120.543 119.950 -0.102 0.000 2.403 202 F HA 0.322 4.849 4.527 -0.000 0.000 0.320 202 F C 1.618 177.340 175.800 -0.129 0.000 1.176 202 F CA -0.377 57.519 58.000 -0.174 0.000 1.206 202 F CB 0.526 39.196 39.000 -0.550 0.000 1.235 202 F HN 0.435 nan 8.300 nan 0.000 0.565 203 N N 0.312 119.110 118.700 0.162 0.000 2.324 203 N HA 0.070 4.810 4.740 -0.000 0.000 0.235 203 N C -1.053 174.516 175.510 0.098 0.000 1.162 203 N CA 0.159 53.263 53.050 0.090 0.000 0.834 203 N CB 0.954 39.483 38.487 0.071 0.000 1.354 203 N HN 0.494 nan 8.380 nan 0.000 0.471 204 K N 0.047 120.542 120.400 0.158 0.000 3.381 204 K HA -0.020 4.300 4.320 -0.000 0.000 1.032 204 K C -0.499 176.111 176.600 0.017 0.000 0.922 204 K CA 0.065 56.434 56.287 0.137 0.000 0.907 204 K CB -0.841 31.707 32.500 0.080 0.000 3.324 204 K HN 0.117 nan 8.250 nan 0.000 0.168 205 G N 3.373 112.103 108.800 -0.117 0.000 2.553 205 G HA2 0.377 4.337 3.960 -0.000 0.000 0.278 205 G HA3 0.377 4.337 3.960 -0.000 0.000 0.278 205 G C -1.798 172.984 174.900 -0.196 0.000 1.349 205 G CA -0.681 44.267 45.100 -0.252 0.000 1.037 205 G HN 0.430 nan 8.290 nan 0.000 0.508 206 P HA 0.138 nan 4.420 nan 0.000 0.242 206 P C -0.859 176.631 177.300 0.317 0.000 1.197 206 P CA 0.528 63.692 63.100 0.107 0.000 0.765 206 P CB -0.053 31.823 31.700 0.294 0.000 0.936 207 W N -1.531 119.739 121.300 -0.049 0.000 3.479 207 W HA 0.388 5.048 4.660 -0.000 0.000 0.304 207 W C 0.806 177.269 176.519 -0.093 0.000 1.243 207 W CA -1.075 56.236 57.345 -0.057 0.000 1.202 207 W CB 0.336 29.767 29.460 -0.049 0.000 1.346 207 W HN -0.299 nan 8.180 nan 0.000 0.539 208 K N 1.652 122.100 120.400 0.081 0.000 2.009 208 K HA -0.059 4.261 4.320 -0.000 0.000 0.210 208 K C 0.189 176.733 176.600 -0.094 0.000 1.049 208 K CA 1.978 58.243 56.287 -0.037 0.000 0.929 208 K CB -0.118 32.384 32.500 0.003 0.000 0.714 208 K HN 0.769 nan 8.250 nan 0.000 0.440 209 Q N -1.341 118.483 119.800 0.040 0.000 3.059 209 Q HA 0.188 4.528 4.340 -0.000 0.000 0.299 209 Q C -1.978 174.059 176.000 0.061 0.000 0.900 209 Q CA -1.024 54.789 55.803 0.018 0.000 0.813 209 Q CB 0.780 29.477 28.738 -0.068 0.000 1.696 209 Q HN 0.172 nan 8.270 nan 0.000 0.504 210 E N 0.943 121.152 120.200 0.016 0.000 2.383 210 E HA 0.408 4.758 4.350 -0.000 0.000 0.275 210 E C -1.149 175.451 176.600 -0.000 0.000 0.918 210 E CA -1.222 55.168 56.400 -0.016 0.000 0.764 210 E CB 1.523 31.215 29.700 -0.013 0.000 1.252 210 E HN 0.546 nan 8.360 nan 0.000 0.449 211 N N 0.537 119.247 118.700 0.017 0.000 2.518 211 N HA 0.219 4.958 4.740 -0.000 0.000 0.266 211 N C -0.589 174.923 175.510 0.003 0.000 1.196 211 N CA 0.046 53.165 53.050 0.114 0.000 0.947 211 N CB 0.990 39.514 38.487 0.061 0.000 1.098 211 N HN 0.162 nan 8.380 nan 0.000 0.450 212 V N 0.769 120.650 119.914 -0.056 0.000 2.735 212 V HA 0.173 4.293 4.120 -0.000 0.000 0.310 212 V C 0.449 176.495 176.094 -0.080 0.000 1.061 212 V CA -1.068 61.187 62.300 -0.076 0.000 0.913 212 V CB 1.978 33.713 31.823 -0.147 0.000 1.005 212 V HN 0.614 nan 8.190 nan 0.000 0.428 213 E N 2.365 122.552 120.200 -0.022 0.000 3.231 213 E HA -0.196 4.154 4.350 -0.000 0.000 0.271 213 E C 1.439 177.998 176.600 -0.067 0.000 0.877 213 E CA 0.614 56.999 56.400 -0.026 0.000 0.973 213 E CB 0.872 30.570 29.700 -0.002 0.000 0.922 213 E HN 0.915 nan 8.360 nan 0.000 0.532 214 A N 5.690 128.472 122.820 -0.064 0.000 2.009 214 A HA -0.222 4.098 4.320 -0.000 0.000 0.222 214 A C 1.075 178.611 177.584 -0.079 0.000 1.175 214 A CA 1.845 53.834 52.037 -0.079 0.000 0.651 214 A CB -0.043 18.926 19.000 -0.051 0.000 0.815 214 A HN 0.689 nan 8.150 nan 0.000 0.459 215 E N -0.743 119.422 120.200 -0.058 0.000 3.846 215 E HA 0.408 4.758 4.350 -0.000 0.000 0.216 215 E C -0.608 175.965 176.600 -0.045 0.000 1.092 215 E CA -0.041 56.331 56.400 -0.046 0.000 1.370 215 E CB 0.550 30.235 29.700 -0.025 0.000 1.227 215 E HN 0.462 nan 8.360 nan 0.000 0.442 216 A N 1.282 124.062 122.820 -0.067 0.000 2.376 216 A HA 0.237 4.556 4.320 -0.000 0.000 0.298 216 A C 1.212 178.766 177.584 -0.051 0.000 1.271 216 A CA -0.212 51.789 52.037 -0.060 0.000 0.926 216 A CB 0.124 19.074 19.000 -0.083 0.000 1.141 216 A HN 0.299 nan 8.150 nan 0.000 0.539 217 S N 2.811 118.497 115.700 -0.023 0.000 2.499 217 S HA 0.228 4.698 4.470 -0.000 0.000 0.225 217 S C 0.723 175.334 174.600 0.018 0.000 1.050 217 S CA -0.024 58.174 58.200 -0.002 0.000 0.928 217 S CB -0.017 63.194 63.200 0.018 0.000 0.803 217 S HN 0.625 nan 8.310 nan 0.000 0.506 218 M N 1.970 121.581 119.600 0.017 0.000 2.472 218 M HA 0.565 5.045 4.480 -0.000 0.000 0.331 218 M C -1.273 175.001 176.300 -0.044 0.000 1.170 218 M CA -0.519 54.800 55.300 0.031 0.000 1.009 218 M CB 1.686 34.322 32.600 0.060 0.000 1.672 218 M HN -0.105 nan 8.290 nan 0.000 0.453 219 V N 4.368 124.250 119.914 -0.053 0.000 2.398 219 V HA 0.440 4.560 4.120 -0.000 0.000 0.282 219 V C -0.403 175.608 176.094 -0.139 0.000 1.014 219 V CA -0.459 61.790 62.300 -0.085 0.000 0.838 219 V CB 1.547 33.349 31.823 -0.034 0.000 1.018 219 V HN 0.715 nan 8.190 nan 0.000 0.432 220 I N 3.971 124.401 120.570 -0.233 0.000 2.315 220 I HA 0.616 4.786 4.170 -0.000 0.000 0.291 220 I C 0.795 176.876 176.117 -0.060 0.000 1.006 220 I CA -0.454 60.694 61.300 -0.254 0.000 1.265 220 I CB 1.661 39.345 38.000 -0.527 0.000 1.387 220 I HN 0.606 nan 8.210 nan 0.000 0.475 221 A N 7.093 129.955 122.820 0.070 0.000 2.396 221 A HA 0.494 4.814 4.320 -0.000 0.000 0.279 221 A C -0.068 177.766 177.584 0.416 0.000 1.165 221 A CA -0.334 51.811 52.037 0.180 0.000 0.824 221 A CB 0.063 19.083 19.000 0.034 0.000 1.100 221 A HN 0.519 nan 8.150 nan 0.000 0.516 222 V N 5.894 126.055 119.914 0.413 0.000 2.465 222 V HA 0.237 4.357 4.120 -0.000 0.000 0.279 222 V C -1.900 174.505 176.094 0.518 0.000 1.045 222 V CA -1.356 61.218 62.300 0.455 0.000 0.938 222 V CB 1.075 33.118 31.823 0.367 0.000 0.986 222 V HN 0.753 nan 8.190 nan 0.000 0.467 223 P HA 0.107 nan 4.420 nan 0.000 0.280 223 P C 0.914 178.216 177.300 0.004 0.000 1.278 223 P CA -0.268 62.654 63.100 -0.296 0.000 0.787 223 P CB 0.731 32.287 31.700 -0.240 0.000 1.163 224 E N 0.440 120.578 120.200 -0.104 0.000 2.070 224 E HA -0.189 4.161 4.350 -0.000 0.000 0.197 224 E C -0.710 175.894 176.600 0.006 0.000 1.004 224 E CA 2.462 58.861 56.400 -0.002 0.000 0.805 224 E CB -2.102 27.578 29.700 -0.032 0.000 0.744 224 E HN 0.435 nan 8.360 nan 0.000 0.451 225 P HA -0.110 nan 4.420 nan 0.000 0.221 225 P C 0.311 177.329 177.300 -0.469 0.000 1.145 225 P CA 1.214 64.123 63.100 -0.319 0.000 0.795 225 P CB 0.051 31.452 31.700 -0.499 0.000 0.775 226 F N -2.873 117.113 119.950 0.061 0.000 2.480 226 F HA 0.478 5.005 4.527 -0.000 0.000 0.258 226 F C 1.990 177.895 175.800 0.175 0.000 0.941 226 F CA 0.722 58.782 58.000 0.100 0.000 1.085 226 F CB -0.908 38.148 39.000 0.093 0.000 1.222 226 F HN -0.098 nan 8.300 nan 0.000 0.724 227 G N -0.084 109.007 108.800 0.485 0.000 2.184 227 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.206 227 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.206 227 G C 0.623 175.737 174.900 0.356 0.000 0.995 227 G CA -0.219 45.108 45.100 0.378 0.000 0.651 227 G HN 0.800 nan 8.290 nan 0.000 0.511 228 G N -0.097 108.938 108.800 0.391 0.000 2.546 228 G HA2 0.796 4.756 3.960 -0.000 0.000 0.239 228 G HA3 0.796 4.756 3.960 -0.000 0.000 0.239 228 G C 0.169 175.090 174.900 0.034 0.000 1.476 228 G CA 0.337 45.463 45.100 0.043 0.000 1.064 228 G HN 1.640 nan 8.290 nan 0.000 0.561 229 A N -1.026 121.659 122.820 -0.225 0.000 2.422 229 A HA 0.638 4.958 4.320 -0.000 0.000 0.302 229 A C -0.790 176.713 177.584 -0.136 0.000 1.041 229 A CA -0.550 51.438 52.037 -0.081 0.000 0.708 229 A CB 1.320 20.322 19.000 0.003 0.000 1.257 229 A HN 0.431 nan 8.150 nan 0.000 0.414 230 I N 2.525 123.035 120.570 -0.100 0.000 2.353 230 I HA 0.372 4.542 4.170 -0.000 0.000 0.293 230 I C -0.444 175.605 176.117 -0.113 0.000 0.992 230 I CA -0.205 61.031 61.300 -0.107 0.000 1.268 230 I CB 1.221 39.075 38.000 -0.244 0.000 1.387 230 I HN 0.506 nan 8.210 nan 0.000 0.478 231 I N 7.057 127.600 120.570 -0.045 0.000 2.382 231 I HA 0.390 4.560 4.170 -0.000 0.000 0.285 231 I C -0.065 176.026 176.117 -0.043 0.000 1.007 231 I CA -0.363 60.911 61.300 -0.044 0.000 1.142 231 I CB 1.404 39.398 38.000 -0.010 0.000 1.289 231 I HN 0.324 nan 8.210 nan 0.000 0.453 232 I N 4.966 125.500 120.570 -0.059 0.000 2.498 232 I HA 0.694 4.864 4.170 -0.000 0.000 0.301 232 I C 0.743 176.846 176.117 -0.024 0.000 0.984 232 I CA -0.263 61.012 61.300 -0.043 0.000 1.204 232 I CB 1.718 39.699 38.000 -0.032 0.000 1.362 232 I HN 0.636 nan 8.210 nan 0.000 0.471 233 G N 3.654 112.439 108.800 -0.024 0.000 3.107 233 G HA2 0.402 4.362 3.960 -0.000 0.000 0.233 233 G HA3 0.402 4.362 3.960 -0.000 0.000 0.233 233 G C -1.281 173.609 174.900 -0.017 0.000 1.168 233 G CA -0.443 44.646 45.100 -0.019 0.000 0.801 233 G HN 0.528 nan 8.290 nan 0.000 0.605 234 Q N 0.472 120.262 119.800 -0.017 0.000 2.230 234 Q HA 0.330 4.670 4.340 -0.000 0.000 0.248 234 Q C 0.222 176.205 176.000 -0.029 0.000 0.915 234 Q CA 0.284 56.076 55.803 -0.018 0.000 0.900 234 Q CB 1.712 30.444 28.738 -0.009 0.000 1.229 234 Q HN 0.937 nan 8.270 nan 0.000 0.439 235 E N -0.508 119.669 120.200 -0.039 0.000 3.449 235 E HA -0.325 4.025 4.350 -0.000 0.000 0.289 235 E C -0.770 175.799 176.600 -0.051 0.000 0.870 235 E CA 1.275 57.648 56.400 -0.046 0.000 0.946 235 E CB -1.168 28.514 29.700 -0.031 0.000 1.476 235 E HN 0.385 nan 8.360 nan 0.000 0.466 236 S N -0.283 115.385 115.700 -0.052 0.000 2.543 236 S HA 0.680 5.150 4.470 -0.000 0.000 0.273 236 S C -1.000 173.568 174.600 -0.053 0.000 1.152 236 S CA -0.734 57.437 58.200 -0.048 0.000 0.910 236 S CB 1.423 64.612 63.200 -0.020 0.000 1.105 236 S HN 0.349 nan 8.310 nan 0.000 0.465 237 I N 3.370 123.901 120.570 -0.066 0.000 2.498 237 I HA 0.550 4.720 4.170 -0.000 0.000 0.290 237 I C -0.063 176.017 176.117 -0.062 0.000 1.032 237 I CA -0.566 60.693 61.300 -0.068 0.000 1.073 237 I CB 2.496 40.436 38.000 -0.099 0.000 1.251 237 I HN 0.811 nan 8.210 nan 0.000 0.426 238 T N 2.019 116.559 114.554 -0.023 0.000 2.893 238 T HA 0.544 4.894 4.350 -0.000 0.000 0.291 238 T C -1.261 173.446 174.700 0.011 0.000 1.028 238 T CA -0.708 61.376 62.100 -0.027 0.000 0.995 238 T CB 1.780 70.731 68.868 0.138 0.000 1.051 238 T HN 0.412 nan 8.240 nan 0.000 0.470 239 Y N 2.410 122.568 120.300 -0.236 0.000 2.352 239 Y HA 0.513 5.063 4.550 -0.000 0.000 0.339 239 Y C -0.442 175.297 175.900 -0.268 0.000 0.992 239 Y CA -0.822 57.164 58.100 -0.188 0.000 1.100 239 Y CB 1.103 39.430 38.460 -0.222 0.000 1.192 239 Y HN 0.786 nan 8.280 nan 0.000 0.458 240 H N 5.718 124.356 119.070 -0.720 0.000 2.727 240 H HA 0.167 4.723 4.556 -0.000 0.000 0.330 240 H C -0.260 174.483 175.328 -0.975 0.000 0.986 240 H CA -0.430 55.237 56.048 -0.635 0.000 1.251 240 H CB 1.761 31.322 29.762 -0.335 0.000 1.493 240 H HN 0.726 nan 8.280 nan 0.000 0.515 241 N N 2.205 120.445 118.700 -0.767 0.000 2.415 241 N HA 0.046 4.786 4.740 -0.000 0.000 0.174 241 N C 0.490 175.557 175.510 -0.738 0.000 1.048 241 N CA 0.832 53.573 53.050 -0.514 0.000 0.895 241 N CB 0.856 39.330 38.487 -0.022 0.000 1.036 241 N HN 0.973 nan 8.380 nan 0.000 0.449 242 G N 0.835 108.960 108.800 -1.124 0.000 2.599 242 G HA2 0.029 3.989 3.960 -0.000 0.000 0.440 242 G HA3 0.029 3.989 3.960 -0.000 0.000 0.440 242 G C -0.300 174.342 174.900 -0.430 0.000 1.018 242 G CA -0.031 44.298 45.100 -1.285 0.000 1.311 242 G HN 0.263 nan 8.290 nan 0.000 0.604 243 D N -0.868 119.305 120.400 -0.378 0.000 2.125 243 D HA -0.152 4.488 4.640 -0.000 0.000 0.249 243 D C 0.831 177.055 176.300 -0.127 0.000 0.851 243 D CA 1.643 55.550 54.000 -0.155 0.000 1.521 243 D CB -1.089 39.670 40.800 -0.069 0.000 1.397 243 D HN 0.696 nan 8.370 nan 0.000 0.720 244 K N 0.451 120.767 120.400 -0.139 0.000 2.297 244 K HA 0.394 4.714 4.320 -0.000 0.000 0.286 244 K C -0.787 175.762 176.600 -0.085 0.000 1.053 244 K CA -0.292 55.962 56.287 -0.056 0.000 0.940 244 K CB 1.159 33.680 32.500 0.035 0.000 1.019 244 K HN 0.292 nan 8.250 nan 0.000 0.475 245 Y N 3.682 123.865 120.300 -0.195 0.000 2.421 245 Y HA 0.534 5.084 4.550 -0.000 0.000 0.339 245 Y C -1.851 173.938 175.900 -0.184 0.000 0.996 245 Y CA -1.046 56.866 58.100 -0.313 0.000 1.046 245 Y CB 1.207 39.460 38.460 -0.346 0.000 1.226 245 Y HN 0.533 nan 8.280 nan 0.000 0.445 246 L N 5.436 126.141 121.223 -0.863 0.000 2.526 246 L HA 0.928 5.268 4.340 -0.000 0.000 0.263 246 L C -1.718 174.732 176.870 -0.699 0.000 0.943 246 L CA -0.459 53.965 54.840 -0.692 0.000 0.859 246 L CB 1.814 43.695 42.059 -0.297 0.000 1.313 246 L HN 0.895 nan 8.230 nan 0.000 0.406 247 A N 4.810 127.260 122.820 -0.618 0.000 2.498 247 A HA 0.932 5.252 4.320 -0.000 0.000 0.298 247 A C -1.302 176.157 177.584 -0.208 0.000 1.075 247 A CA -0.552 51.263 52.037 -0.369 0.000 0.714 247 A CB 1.718 20.531 19.000 -0.312 0.000 1.299 247 A HN 0.731 nan 8.150 nan 0.000 0.407 248 I N -2.394 118.090 120.570 -0.143 0.000 2.969 248 I HA 0.866 5.036 4.170 -0.000 0.000 0.307 248 I C -0.092 175.973 176.117 -0.087 0.000 1.149 248 I CA -1.080 60.155 61.300 -0.108 0.000 1.008 248 I CB 2.645 40.579 38.000 -0.111 0.000 1.232 248 I HN 0.725 nan 8.210 nan 0.000 0.435 249 A N 3.282 126.057 122.820 -0.075 0.000 3.253 249 A HA 0.666 4.986 4.320 -0.000 0.000 0.290 249 A C -2.614 174.925 177.584 -0.075 0.000 0.950 249 A CA -1.307 50.689 52.037 -0.068 0.000 0.986 249 A CB -0.706 18.267 19.000 -0.046 0.000 1.104 249 A HN 0.561 nan 8.150 nan 0.000 0.481 250 P HA 0.136 nan 4.420 nan 0.000 0.265 250 P C -1.964 175.281 177.300 -0.091 0.000 1.193 250 P CA -0.740 62.299 63.100 -0.101 0.000 0.765 250 P CB 0.612 32.224 31.700 -0.146 0.000 0.823 251 P HA -0.086 nan 4.420 nan 0.000 0.218 251 P C 0.470 177.746 177.300 -0.039 0.000 1.148 251 P CA 1.275 64.350 63.100 -0.041 0.000 0.822 251 P CB -0.111 31.574 31.700 -0.024 0.000 0.784 252 I N -0.519 120.021 120.570 -0.050 0.000 2.528 252 I HA 0.095 4.265 4.170 -0.000 0.000 0.276 252 I C 1.107 177.158 176.117 -0.111 0.000 1.056 252 I CA 0.551 61.842 61.300 -0.014 0.000 1.858 252 I CB -0.687 37.356 38.000 0.071 0.000 1.448 252 I HN -0.034 nan 8.210 nan 0.000 0.776 253 I N 0.006 120.521 120.570 -0.092 0.000 5.061 253 I HA 0.013 4.183 4.170 -0.000 0.000 0.336 253 I C 1.633 177.737 176.117 -0.021 0.000 1.247 253 I CA -0.012 61.227 61.300 -0.102 0.000 1.418 253 I CB 0.263 38.162 38.000 -0.167 0.000 1.467 253 I HN 0.048 nan 8.210 nan 0.000 0.510 254 K N 1.266 121.654 120.400 -0.020 0.000 2.589 254 K HA -0.147 4.173 4.320 -0.000 0.000 0.195 254 K C 1.681 178.285 176.600 0.007 0.000 1.040 254 K CA 1.070 57.352 56.287 -0.007 0.000 0.950 254 K CB -0.081 32.412 32.500 -0.011 0.000 0.781 254 K HN 0.308 nan 8.250 nan 0.000 0.486 255 Q N -0.752 119.063 119.800 0.025 0.000 2.134 255 Q HA 0.095 4.435 4.340 -0.000 0.000 0.195 255 Q C 0.281 176.293 176.000 0.021 0.000 0.958 255 Q CA 0.766 56.583 55.803 0.024 0.000 0.840 255 Q CB 0.495 29.255 28.738 0.037 0.000 0.918 255 Q HN 0.243 nan 8.270 nan 0.000 0.467 256 S N -1.623 114.104 115.700 0.044 0.000 2.607 256 S HA 0.562 5.032 4.470 -0.000 0.000 0.273 256 S C -0.491 174.142 174.600 0.055 0.000 1.148 256 S CA -1.041 57.182 58.200 0.037 0.000 0.833 256 S CB 1.541 64.754 63.200 0.022 0.000 1.130 256 S HN 0.031 nan 8.310 nan 0.000 0.470 257 T N 1.569 116.149 114.554 0.044 0.000 2.900 257 T HA 0.338 4.688 4.350 -0.000 0.000 0.307 257 T C 0.172 174.915 174.700 0.072 0.000 1.065 257 T CA -0.120 62.008 62.100 0.047 0.000 1.105 257 T CB -0.170 68.721 68.868 0.039 0.000 0.979 257 T HN 0.530 nan 8.240 nan 0.000 0.544 258 I N 2.687 123.300 120.570 0.071 0.000 2.301 258 I HA 0.094 4.264 4.170 -0.000 0.000 0.292 258 I C 1.195 177.365 176.117 0.088 0.000 1.046 258 I CA -0.211 61.148 61.300 0.099 0.000 1.282 258 I CB 1.153 39.210 38.000 0.096 0.000 1.409 258 I HN 0.482 nan 8.210 nan 0.000 0.484 259 V N 5.456 125.421 119.914 0.084 0.000 2.379 259 V HA -0.096 4.024 4.120 -0.000 0.000 0.243 259 V C 0.604 176.733 176.094 0.059 0.000 1.035 259 V CA 0.827 63.165 62.300 0.064 0.000 1.035 259 V CB 0.006 31.859 31.823 0.050 0.000 0.673 259 V HN 0.926 nan 8.190 nan 0.000 0.457 260 C N 0.094 119.429 119.300 0.059 0.000 2.797 260 C HA 0.849 5.309 4.460 -0.000 0.000 0.306 260 C C -0.341 174.689 174.990 0.065 0.000 1.207 260 C CA -0.879 58.134 59.018 -0.008 0.000 1.507 260 C CB 0.867 28.579 27.740 -0.045 0.000 2.028 260 C HN 0.719 nan 8.230 nan 0.000 0.475 261 H N 0.608 119.740 119.070 0.104 0.000 2.824 261 H HA 0.908 5.464 4.556 -0.000 0.000 0.345 261 H C -0.749 174.688 175.328 0.181 0.000 1.252 261 H CA -0.644 55.489 56.048 0.143 0.000 1.246 261 H CB 1.119 30.953 29.762 0.120 0.000 1.908 261 H HN 0.925 nan 8.280 nan 0.000 0.601 262 N N -0.692 118.260 118.700 0.419 0.000 2.827 262 N HA 0.130 4.870 4.740 -0.000 0.000 0.248 262 N C -1.820 173.865 175.510 0.291 0.000 1.074 262 N CA -0.734 52.515 53.050 0.332 0.000 1.042 262 N CB 1.725 40.324 38.487 0.186 0.000 1.684 262 N HN 0.814 nan 8.380 nan 0.000 0.542 263 R N 2.530 123.117 120.500 0.145 0.000 2.442 263 R HA 0.323 4.663 4.340 -0.000 0.000 0.291 263 R C 0.178 176.344 176.300 -0.223 0.000 1.069 263 R CA -0.186 55.667 56.100 -0.412 0.000 1.022 263 R CB 0.541 30.658 30.300 -0.305 0.000 0.976 263 R HN 0.471 nan 8.270 nan 0.000 0.443 264 V N 2.107 121.799 119.914 -0.369 0.000 2.492 264 V HA 0.042 4.162 4.120 -0.000 0.000 0.241 264 V C 0.170 176.132 176.094 -0.221 0.000 1.041 264 V CA 0.996 63.091 62.300 -0.341 0.000 1.057 264 V CB -0.132 31.371 31.823 -0.534 0.000 0.711 264 V HN 0.726 nan 8.190 nan 0.000 0.468 265 D N 0.591 120.854 120.400 -0.227 0.000 2.256 265 D HA 0.310 4.950 4.640 -0.000 0.000 0.240 265 D C -1.900 174.365 176.300 -0.058 0.000 1.062 265 D CA -1.806 52.131 54.000 -0.106 0.000 0.832 265 D CB 1.827 42.572 40.800 -0.091 0.000 1.135 265 D HN 0.021 nan 8.370 nan 0.000 0.484 266 P HA -0.188 nan 4.420 nan 0.000 0.217 266 P C 1.158 178.464 177.300 0.009 0.000 1.148 266 P CA 1.095 64.206 63.100 0.017 0.000 0.834 266 P CB 0.258 31.980 31.700 0.036 0.000 0.783 267 N N -0.693 118.025 118.700 0.031 0.000 2.354 267 N HA -0.054 4.686 4.740 -0.000 0.000 0.179 267 N C 1.236 176.879 175.510 0.221 0.000 1.021 267 N CA 1.617 54.714 53.050 0.078 0.000 0.887 267 N CB -0.798 37.726 38.487 0.061 0.000 0.974 267 N HN 0.211 nan 8.380 nan 0.000 0.437 268 G N -0.367 108.519 108.800 0.144 0.000 2.173 268 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.174 268 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.174 268 G C 0.503 175.453 174.900 0.084 0.000 1.025 268 G CA 0.360 45.535 45.100 0.125 0.000 0.706 268 G HN 0.412 nan 8.290 nan 0.000 0.499 269 S N -0.578 115.171 115.700 0.082 0.000 2.357 269 S HA 0.180 4.650 4.470 -0.000 0.000 0.221 269 S C 1.458 176.030 174.600 -0.046 0.000 1.031 269 S CA 1.404 59.643 58.200 0.065 0.000 0.982 269 S CB 0.025 63.268 63.200 0.073 0.000 0.853 269 S HN 0.672 nan 8.310 nan 0.000 0.458 270 R N -1.122 119.305 120.500 -0.121 0.000 2.807 270 R HA 0.573 4.913 4.340 -0.000 0.000 0.276 270 R C -1.824 174.335 176.300 -0.235 0.000 0.979 270 R CA -0.586 55.451 56.100 -0.104 0.000 0.928 270 R CB 1.429 31.650 30.300 -0.133 0.000 1.191 270 R HN 0.184 nan 8.270 nan 0.000 0.471 271 Y N 0.615 120.883 120.300 -0.054 0.000 2.477 271 Y HA 0.405 4.955 4.550 -0.000 0.000 0.347 271 Y C -0.420 175.490 175.900 0.017 0.000 0.981 271 Y CA -0.820 57.279 58.100 -0.002 0.000 1.033 271 Y CB 1.910 40.380 38.460 0.017 0.000 1.245 271 Y HN 0.232 nan 8.280 nan 0.000 0.455 272 L N 4.346 125.685 121.223 0.193 0.000 2.312 272 L HA 0.499 4.839 4.340 -0.000 0.000 0.281 272 L C -0.945 176.051 176.870 0.210 0.000 1.070 272 L CA -0.536 54.395 54.840 0.153 0.000 0.805 272 L CB 0.876 42.999 42.059 0.106 0.000 1.174 272 L HN 0.446 nan 8.230 nan 0.000 0.434 273 L N 3.388 124.736 121.223 0.207 0.000 2.372 273 L HA 0.485 4.825 4.340 -0.000 0.000 0.273 273 L C 0.375 177.374 176.870 0.215 0.000 0.989 273 L CA -0.491 54.496 54.840 0.245 0.000 0.841 273 L CB 1.633 43.871 42.059 0.299 0.000 1.225 273 L HN 0.625 nan 8.230 nan 0.000 0.414 274 G N 0.825 109.709 108.800 0.141 0.000 2.420 274 G HA2 0.263 4.223 3.960 -0.000 0.000 0.284 274 G HA3 0.263 4.223 3.960 -0.000 0.000 0.284 274 G C -0.473 174.492 174.900 0.109 0.000 1.177 274 G CA -0.156 44.988 45.100 0.073 0.000 0.841 274 G HN 0.520 nan 8.290 nan 0.000 0.527 275 D N 0.578 121.018 120.400 0.066 0.000 2.772 275 D HA 0.345 4.985 4.640 -0.000 0.000 0.255 275 D C 1.348 177.692 176.300 0.073 0.000 1.206 275 D CA -0.118 53.945 54.000 0.105 0.000 1.126 275 D CB 0.861 41.697 40.800 0.061 0.000 1.012 275 D HN 0.301 nan 8.370 nan 0.000 0.322 276 M N -1.334 118.297 119.600 0.051 0.000 1.630 276 M HA 0.049 4.529 4.480 -0.000 0.000 0.299 276 M C 0.486 176.799 176.300 0.022 0.000 0.865 276 M CA 0.041 55.371 55.300 0.049 0.000 1.061 276 M CB 0.262 32.893 32.600 0.052 0.000 2.096 276 M HN 0.001 nan 8.290 nan 0.000 0.779 277 E N 0.724 120.923 120.200 -0.002 0.000 2.418 277 E HA 0.172 4.522 4.350 -0.000 0.000 0.197 277 E C 0.816 177.397 176.600 -0.033 0.000 1.026 277 E CA 1.413 57.791 56.400 -0.036 0.000 0.862 277 E CB 0.163 29.842 29.700 -0.035 0.000 0.799 277 E HN 0.680 nan 8.360 nan 0.000 0.518 278 G N 0.717 109.501 108.800 -0.026 0.000 2.207 278 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 278 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 278 G C -0.124 174.718 174.900 -0.097 0.000 1.053 278 G CA -0.010 45.064 45.100 -0.043 0.000 0.764 278 G HN 0.109 nan 8.290 nan 0.000 0.495 279 R N -1.242 119.174 120.500 -0.140 0.000 2.607 279 R HA 0.800 5.139 4.340 -0.000 0.000 0.261 279 R C -0.672 175.425 176.300 -0.339 0.000 1.051 279 R CA -0.873 55.047 56.100 -0.301 0.000 1.110 279 R CB 1.219 31.226 30.300 -0.488 0.000 1.158 279 R HN 0.247 nan 8.270 nan 0.000 0.543 280 L N 1.905 122.845 121.223 -0.472 0.000 2.439 280 L HA 0.457 4.797 4.340 -0.000 0.000 0.270 280 L C -1.652 174.959 176.870 -0.432 0.000 0.972 280 L CA -0.318 54.329 54.840 -0.321 0.000 0.836 280 L CB 1.288 43.261 42.059 -0.143 0.000 1.255 280 L HN 0.460 nan 8.230 nan 0.000 0.404 281 F N 4.306 124.262 119.950 0.011 0.000 2.507 281 F HA 0.651 5.178 4.527 -0.000 0.000 0.327 281 F C 0.152 175.945 175.800 -0.011 0.000 1.068 281 F CA -0.797 57.203 58.000 -0.001 0.000 0.965 281 F CB 2.015 41.017 39.000 0.004 0.000 1.192 281 F HN 0.403 nan 8.300 nan 0.000 0.476 282 M N 3.461 123.164 119.600 0.171 0.000 2.205 282 M HA 0.467 4.947 4.480 -0.000 0.000 0.344 282 M C -1.640 174.699 176.300 0.066 0.000 1.085 282 M CA -0.683 54.656 55.300 0.065 0.000 1.001 282 M CB 1.097 33.671 32.600 -0.043 0.000 1.626 282 M HN 0.511 nan 8.290 nan 0.000 0.442 283 L N 5.819 127.086 121.223 0.074 0.000 2.312 283 L HA 0.600 4.940 4.340 -0.000 0.000 0.281 283 L C -1.672 175.211 176.870 0.021 0.000 1.070 283 L CA -0.039 54.827 54.840 0.043 0.000 0.805 283 L CB 0.972 43.078 42.059 0.077 0.000 1.174 283 L HN 0.799 nan 8.230 nan 0.000 0.434 284 L N 6.249 127.456 121.223 -0.026 0.000 2.376 284 L HA 0.459 4.799 4.340 -0.000 0.000 0.275 284 L C -1.266 175.552 176.870 -0.087 0.000 0.987 284 L CA -0.623 54.188 54.840 -0.048 0.000 0.828 284 L CB 1.449 43.477 42.059 -0.052 0.000 1.249 284 L HN 0.583 nan 8.230 nan 0.000 0.409 285 L N 5.108 126.261 121.223 -0.117 0.000 2.255 285 L HA 0.296 4.636 4.340 -0.000 0.000 0.289 285 L C 0.148 176.948 176.870 -0.116 0.000 1.046 285 L CA -0.638 54.073 54.840 -0.216 0.000 0.816 285 L CB 0.943 42.717 42.059 -0.475 0.000 1.197 285 L HN 0.510 nan 8.230 nan 0.000 0.427 286 E N 4.459 124.598 120.200 -0.101 0.000 2.161 286 E HA 0.047 4.397 4.350 -0.000 0.000 0.263 286 E C -0.317 176.291 176.600 0.014 0.000 1.185 286 E CA 0.025 56.400 56.400 -0.042 0.000 0.938 286 E CB 0.411 30.075 29.700 -0.060 0.000 1.023 286 E HN 0.384 nan 8.360 nan 0.000 0.433 287 K N 2.331 122.776 120.400 0.075 0.000 2.379 287 K HA 0.036 4.355 4.320 -0.000 0.000 0.284 287 K C 0.231 176.845 176.600 0.024 0.000 1.044 287 K CA 0.146 56.492 56.287 0.099 0.000 0.974 287 K CB 0.449 33.004 32.500 0.092 0.000 0.962 287 K HN 0.248 nan 8.250 nan 0.000 0.474 288 E N 3.247 123.452 120.200 0.009 0.000 2.255 288 E HA 0.060 4.410 4.350 -0.000 0.000 0.245 288 E C -1.434 175.153 176.600 -0.022 0.000 0.909 288 E CA -0.596 55.797 56.400 -0.012 0.000 0.747 288 E CB 0.779 30.468 29.700 -0.017 0.000 1.215 288 E HN 0.382 nan 8.360 nan 0.000 0.424 289 E N 2.849 123.033 120.200 -0.026 0.000 2.316 289 E HA 0.062 4.412 4.350 -0.000 0.000 0.275 289 E C 0.209 176.794 176.600 -0.025 0.000 1.029 289 E CA 0.331 56.712 56.400 -0.032 0.000 0.871 289 E CB 1.005 30.685 29.700 -0.033 0.000 1.022 289 E HN 0.612 nan 8.360 nan 0.000 0.418 290 Q N 3.603 123.388 119.800 -0.025 0.000 2.527 290 Q HA 0.205 4.545 4.340 -0.000 0.000 0.194 290 Q C 0.556 176.546 176.000 -0.017 0.000 0.963 290 Q CA 0.481 56.272 55.803 -0.020 0.000 0.861 290 Q CB 0.410 29.137 28.738 -0.018 0.000 1.051 290 Q HN 0.736 nan 8.270 nan 0.000 0.605 291 M N -2.094 117.496 119.600 -0.017 0.000 1.440 291 M HA -0.034 4.446 4.480 -0.000 0.000 0.172 291 M C 0.545 176.836 176.300 -0.015 0.000 0.990 291 M CA 0.325 55.616 55.300 -0.015 0.000 0.702 291 M CB -0.093 32.500 32.600 -0.013 0.000 1.659 291 M HN 0.069 nan 8.290 nan 0.000 0.636 292 D N 0.103 120.495 120.400 -0.013 0.000 2.584 292 D HA 0.148 4.787 4.640 -0.000 0.000 0.254 292 D C 1.357 177.649 176.300 -0.015 0.000 1.085 292 D CA 1.434 55.426 54.000 -0.013 0.000 0.971 292 D CB 0.209 41.004 40.800 -0.009 0.000 1.103 292 D HN 0.426 nan 8.370 nan 0.000 0.453 293 G N 0.604 109.397 108.800 -0.012 0.000 3.262 293 G HA2 0.113 4.073 3.960 -0.000 0.000 0.222 293 G HA3 0.113 4.073 3.960 -0.000 0.000 0.222 293 G C 0.586 175.475 174.900 -0.018 0.000 1.269 293 G CA 1.072 46.165 45.100 -0.012 0.000 1.032 293 G HN 0.439 nan 8.290 nan 0.000 0.502 294 T N -1.603 112.937 114.554 -0.024 0.000 0.541 294 T HA -0.265 4.085 4.350 -0.000 0.000 0.774 294 T C 0.559 175.231 174.700 -0.045 0.000 0.992 294 T CA 0.556 62.634 62.100 -0.036 0.000 4.077 294 T CB -1.285 67.561 68.868 -0.036 0.000 2.303 294 T HN 1.474 nan 8.240 nan 0.000 0.398 295 V N 0.949 120.819 119.914 -0.072 0.000 2.583 295 V HA 0.487 4.607 4.120 -0.000 0.000 0.302 295 V C 0.752 176.806 176.094 -0.067 0.000 1.033 295 V CA 0.781 63.023 62.300 -0.097 0.000 1.194 295 V CB 0.243 31.950 31.823 -0.193 0.000 0.879 295 V HN 1.079 nan 8.190 nan 0.000 0.482 296 T N 4.996 119.529 114.554 -0.035 0.000 2.900 296 T HA 0.580 4.930 4.350 -0.000 0.000 0.295 296 T C -0.791 173.916 174.700 0.012 0.000 1.044 296 T CA -0.728 61.369 62.100 -0.004 0.000 0.995 296 T CB 1.464 70.327 68.868 -0.008 0.000 1.072 296 T HN 0.932 nan 8.240 nan 0.000 0.473 297 L N 4.701 125.925 121.223 0.001 0.000 2.313 297 L HA 0.493 4.832 4.340 -0.000 0.000 0.282 297 L C 1.361 178.178 176.870 -0.088 0.000 1.092 297 L CA 0.296 55.097 54.840 -0.066 0.000 0.831 297 L CB 0.501 42.385 42.059 -0.291 0.000 1.159 297 L HN 0.764 nan 8.230 nan 0.000 0.442 298 K N 2.505 122.862 120.400 -0.073 0.000 2.067 298 K HA 0.064 4.384 4.320 -0.000 0.000 0.203 298 K C -0.116 176.424 176.600 -0.098 0.000 1.048 298 K CA 0.891 57.136 56.287 -0.071 0.000 0.954 298 K CB 0.276 32.747 32.500 -0.049 0.000 0.737 298 K HN 0.835 nan 8.250 nan 0.000 0.444 299 D N -1.684 118.644 120.400 -0.119 0.000 2.692 299 D HA 0.340 4.980 4.640 -0.000 0.000 0.290 299 D C -2.177 174.033 176.300 -0.150 0.000 1.281 299 D CA -0.633 53.291 54.000 -0.127 0.000 0.804 299 D CB 1.109 41.853 40.800 -0.093 0.000 1.331 299 D HN -0.084 nan 8.370 nan 0.000 0.432 300 L N 1.261 122.399 121.223 -0.141 0.000 2.365 300 L HA 0.687 5.027 4.340 -0.000 0.000 0.273 300 L C -0.533 176.273 176.870 -0.106 0.000 1.000 300 L CA -0.464 54.294 54.840 -0.137 0.000 0.819 300 L CB 1.779 43.751 42.059 -0.145 0.000 1.284 300 L HN 0.433 nan 8.230 nan 0.000 0.418 301 R N 1.687 122.132 120.500 -0.092 0.000 2.651 301 R HA 0.876 5.216 4.340 -0.000 0.000 0.278 301 R C -1.865 174.395 176.300 -0.067 0.000 1.010 301 R CA -0.578 55.477 56.100 -0.075 0.000 0.896 301 R CB 2.212 32.477 30.300 -0.059 0.000 1.211 301 R HN 0.404 nan 8.270 nan 0.000 0.456 302 V N 1.782 121.654 119.914 -0.071 0.000 2.680 302 V HA 0.564 4.684 4.120 -0.000 0.000 0.309 302 V C -0.558 175.532 176.094 -0.007 0.000 1.052 302 V CA -0.823 61.440 62.300 -0.061 0.000 0.908 302 V CB 1.720 33.444 31.823 -0.164 0.000 1.001 302 V HN 0.774 nan 8.190 nan 0.000 0.431 303 E N 2.811 123.054 120.200 0.072 0.000 2.263 303 E HA 0.418 4.768 4.350 -0.000 0.000 0.268 303 E C -1.334 175.418 176.600 0.253 0.000 0.884 303 E CA -0.862 55.609 56.400 0.118 0.000 0.766 303 E CB 2.515 32.233 29.700 0.029 0.000 1.196 303 E HN 0.806 nan 8.360 nan 0.000 0.416 304 L N 5.616 127.040 121.223 0.335 0.000 2.513 304 L HA 0.102 4.442 4.340 -0.000 0.000 0.272 304 L C 0.080 177.013 176.870 0.105 0.000 1.187 304 L CA 0.205 55.177 54.840 0.220 0.000 0.895 304 L CB 0.308 42.475 42.059 0.180 0.000 1.147 304 L HN 0.764 nan 8.230 nan 0.000 0.483 305 L N 5.303 126.531 121.223 0.008 0.000 2.408 305 L HA 0.506 4.846 4.340 -0.000 0.000 0.215 305 L C 1.101 178.050 176.870 0.131 0.000 1.081 305 L CA 0.423 55.326 54.840 0.105 0.000 0.840 305 L CB -0.393 41.655 42.059 -0.019 0.000 1.002 305 L HN 0.955 nan 8.230 nan 0.000 0.468 306 G N 0.694 109.473 108.800 -0.034 0.000 2.340 306 G HA2 0.006 3.966 3.960 -0.000 0.000 0.282 306 G HA3 0.006 3.966 3.960 -0.000 0.000 0.282 306 G C -1.635 173.190 174.900 -0.125 0.000 1.312 306 G CA -0.580 44.486 45.100 -0.057 0.000 0.942 306 G HN 0.143 nan 8.290 nan 0.000 0.495 307 E N -0.590 119.549 120.200 -0.101 0.000 2.151 307 E HA 0.663 5.013 4.350 -0.000 0.000 0.275 307 E C 0.155 176.703 176.600 -0.086 0.000 0.936 307 E CA -0.251 56.082 56.400 -0.110 0.000 0.777 307 E CB 1.912 31.551 29.700 -0.102 0.000 1.108 307 E HN 0.593 nan 8.360 nan 0.000 0.401 308 T N 1.976 116.477 114.554 -0.089 0.000 2.888 308 T HA 0.397 4.747 4.350 -0.000 0.000 0.283 308 T C -0.001 174.661 174.700 -0.062 0.000 1.013 308 T CA -0.217 61.837 62.100 -0.075 0.000 0.938 308 T CB 0.589 69.409 68.868 -0.081 0.000 1.298 308 T HN 0.663 nan 8.240 nan 0.000 0.580 309 S N 0.533 116.197 115.700 -0.060 0.000 2.617 309 S HA 0.458 4.928 4.470 -0.000 0.000 0.269 309 S C 0.331 174.911 174.600 -0.033 0.000 1.292 309 S CA -0.833 57.345 58.200 -0.036 0.000 1.010 309 S CB -0.134 63.043 63.200 -0.038 0.000 0.944 309 S HN 0.643 nan 8.310 nan 0.000 0.536 310 I N 1.932 122.502 120.570 0.000 0.000 2.907 310 I HA 0.070 4.240 4.170 -0.000 0.000 0.285 310 I C 0.823 176.937 176.117 -0.005 0.000 1.189 310 I CA 0.104 61.414 61.300 0.017 0.000 1.376 310 I CB -0.646 37.398 38.000 0.074 0.000 1.420 310 I HN 0.769 nan 8.210 nan 0.000 0.544 311 A N 6.843 129.653 122.820 -0.017 0.000 2.276 311 A HA 0.250 4.569 4.320 -0.000 0.000 0.300 311 A C 1.036 178.610 177.584 -0.017 0.000 1.235 311 A CA -0.502 51.512 52.037 -0.038 0.000 0.867 311 A CB 0.620 19.590 19.000 -0.051 0.000 1.137 311 A HN 0.735 nan 8.150 nan 0.000 0.527 312 E N 0.315 120.502 120.200 -0.023 0.000 2.371 312 E HA 0.044 4.394 4.350 -0.000 0.000 0.194 312 E C 0.247 176.841 176.600 -0.010 0.000 1.012 312 E CA 1.249 57.645 56.400 -0.007 0.000 0.860 312 E CB -0.049 29.650 29.700 -0.002 0.000 0.811 312 E HN 0.915 nan 8.360 nan 0.000 0.502 313 C N -1.589 117.700 119.300 -0.018 0.000 3.197 313 C HA 0.649 5.109 4.460 -0.000 0.000 0.343 313 C C -1.936 173.048 174.990 -0.010 0.000 1.291 313 C CA -1.545 57.466 59.018 -0.011 0.000 1.191 313 C CB 0.251 28.000 27.740 0.015 0.000 1.444 313 C HN 0.032 nan 8.230 nan 0.000 0.468 314 L N 0.019 121.253 121.223 0.020 0.000 2.466 314 L HA 0.983 5.323 4.340 -0.000 0.000 0.258 314 L C -0.154 176.788 176.870 0.119 0.000 0.973 314 L CA -0.585 54.284 54.840 0.049 0.000 0.826 314 L CB 1.463 43.530 42.059 0.014 0.000 1.372 314 L HN 1.149 nan 8.230 nan 0.000 0.409 315 T N -1.824 112.841 114.554 0.184 0.000 2.879 315 T HA 0.579 4.929 4.350 -0.000 0.000 0.290 315 T C -0.770 174.051 174.700 0.201 0.000 0.993 315 T CA -0.515 61.696 62.100 0.185 0.000 0.975 315 T CB 1.028 69.990 68.868 0.156 0.000 0.981 315 T HN 0.683 nan 8.240 nan 0.000 0.439 316 Y N 3.844 124.187 120.300 0.072 0.000 2.411 316 Y HA 0.456 5.006 4.550 -0.000 0.000 0.333 316 Y C 0.123 176.052 175.900 0.049 0.000 1.186 316 Y CA -0.580 57.552 58.100 0.054 0.000 1.381 316 Y CB 0.438 38.914 38.460 0.026 0.000 1.273 316 Y HN 0.757 nan 8.280 nan 0.000 0.546 317 L N 2.527 123.366 121.223 -0.641 0.000 2.546 317 L HA 0.401 4.741 4.340 -0.000 0.000 0.185 317 L C -0.294 176.131 176.870 -0.742 0.000 1.247 317 L CA 0.224 54.769 54.840 -0.492 0.000 0.848 317 L CB 0.076 41.983 42.059 -0.253 0.000 1.133 317 L HN 0.611 nan 8.230 nan 0.000 0.504 318 D N -3.048 116.914 120.400 -0.730 0.000 2.742 318 D HA 0.199 4.839 4.640 -0.000 0.000 0.262 318 D C -1.138 175.037 176.300 -0.208 0.000 1.240 318 D CA -0.553 53.145 54.000 -0.504 0.000 0.752 318 D CB 0.796 41.493 40.800 -0.172 0.000 1.290 318 D HN 0.144 nan 8.370 nan 0.000 0.420 319 N N 0.552 119.263 118.700 0.019 0.000 2.741 319 N HA -0.132 4.608 4.740 -0.000 0.000 0.250 319 N C 0.674 176.254 175.510 0.117 0.000 1.115 319 N CA 1.982 55.077 53.050 0.074 0.000 0.724 319 N CB -1.068 37.435 38.487 0.027 0.000 1.090 319 N HN 0.929 nan 8.380 nan 0.000 0.558 320 G N -2.797 106.166 108.800 0.272 0.000 2.143 320 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.248 320 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.248 320 G C -0.020 174.992 174.900 0.187 0.000 0.991 320 G CA 0.242 45.528 45.100 0.311 0.000 0.689 320 G HN 0.539 nan 8.290 nan 0.000 0.522 321 V N 0.516 120.460 119.914 0.049 0.000 2.407 321 V HA 0.636 4.756 4.120 -0.000 0.000 0.278 321 V C 0.499 176.589 176.094 -0.007 0.000 1.037 321 V CA -0.590 61.713 62.300 0.005 0.000 0.900 321 V CB 1.744 33.544 31.823 -0.038 0.000 0.983 321 V HN 0.299 nan 8.190 nan 0.000 0.459 322 V N 5.221 125.185 119.914 0.083 0.000 2.735 322 V HA 0.470 4.590 4.120 -0.000 0.000 0.310 322 V C -0.735 175.449 176.094 0.149 0.000 1.061 322 V CA -0.747 61.626 62.300 0.123 0.000 0.913 322 V CB 1.988 33.901 31.823 0.149 0.000 1.005 322 V HN 0.694 nan 8.190 nan 0.000 0.428 323 F N 4.623 124.590 119.950 0.028 0.000 2.404 323 F HA 0.670 5.197 4.527 -0.000 0.000 0.354 323 F C -0.193 175.636 175.800 0.049 0.000 1.122 323 F CA -0.602 57.424 58.000 0.043 0.000 1.080 323 F CB 1.352 40.356 39.000 0.007 0.000 1.131 323 F HN 0.258 nan 8.300 nan 0.000 0.471 324 V N 6.200 125.608 119.914 -0.843 0.000 2.318 324 V HA 0.391 4.511 4.120 -0.000 0.000 0.271 324 V C 0.651 176.163 176.094 -0.970 0.000 1.030 324 V CA -0.625 61.286 62.300 -0.649 0.000 0.844 324 V CB 0.797 32.416 31.823 -0.340 0.000 1.015 324 V HN 0.984 nan 8.190 nan 0.000 0.460 325 G N 3.085 111.508 108.800 -0.627 0.000 2.530 325 G HA2 0.375 4.335 3.960 -0.000 0.000 0.313 325 G HA3 0.375 4.335 3.960 -0.000 0.000 0.313 325 G C 0.131 174.958 174.900 -0.122 0.000 0.971 325 G CA -0.056 44.879 45.100 -0.275 0.000 1.237 325 G HN 0.670 nan 8.290 nan 0.000 0.446 326 S N 1.808 117.446 115.700 -0.102 0.000 2.525 326 S HA 0.469 4.939 4.470 -0.000 0.000 0.290 326 S C 1.034 175.630 174.600 -0.006 0.000 1.152 326 S CA -0.829 57.343 58.200 -0.048 0.000 1.072 326 S CB 1.837 65.007 63.200 -0.051 0.000 1.027 326 S HN 0.625 nan 8.310 nan 0.000 0.500 327 R N 2.897 123.394 120.500 -0.005 0.000 2.394 327 R HA 0.431 4.771 4.340 -0.000 0.000 0.220 327 R C 1.049 177.340 176.300 -0.015 0.000 0.887 327 R CA 0.227 56.325 56.100 -0.003 0.000 1.034 327 R CB 0.036 30.332 30.300 -0.008 0.000 1.179 327 R HN 0.713 nan 8.270 nan 0.000 0.561 328 L N -0.593 120.621 121.223 -0.016 0.000 2.463 328 L HA 0.385 4.725 4.340 -0.000 0.000 0.219 328 L C 1.021 177.879 176.870 -0.020 0.000 1.088 328 L CA 0.428 55.248 54.840 -0.033 0.000 0.849 328 L CB 0.789 42.833 42.059 -0.026 0.000 1.012 328 L HN 0.207 nan 8.230 nan 0.000 0.468 329 G N -1.571 107.227 108.800 -0.004 0.000 2.870 329 G HA2 0.242 4.202 3.960 -0.000 0.000 0.299 329 G HA3 0.242 4.202 3.960 -0.000 0.000 0.299 329 G C -1.607 173.295 174.900 0.003 0.000 1.324 329 G CA -0.516 44.584 45.100 0.000 0.000 0.808 329 G HN -0.197 nan 8.290 nan 0.000 0.535 330 D N 1.150 121.552 120.400 0.003 0.000 2.450 330 D HA 0.375 5.014 4.640 -0.000 0.000 0.247 330 D C 0.752 177.048 176.300 -0.006 0.000 1.162 330 D CA 0.478 54.485 54.000 0.012 0.000 0.879 330 D CB 1.162 41.959 40.800 -0.004 0.000 1.163 330 D HN 0.158 nan 8.370 nan 0.000 0.472 331 S N 1.650 117.375 115.700 0.042 0.000 2.589 331 S HA 0.293 4.763 4.470 -0.000 0.000 0.265 331 S C 0.450 175.041 174.600 -0.015 0.000 1.342 331 S CA -0.509 57.692 58.200 0.002 0.000 1.005 331 S CB 0.792 64.066 63.200 0.123 0.000 0.909 331 S HN 0.487 nan 8.310 nan 0.000 0.555 332 Q N -0.135 119.573 119.800 -0.152 0.000 2.707 332 Q HA 0.761 5.101 4.340 -0.000 0.000 0.307 332 Q C -1.959 173.975 176.000 -0.111 0.000 0.934 332 Q CA -1.066 54.572 55.803 -0.274 0.000 0.753 332 Q CB 1.083 29.669 28.738 -0.253 0.000 1.478 332 Q HN 0.394 nan 8.270 nan 0.000 0.458 333 L N 1.561 122.691 121.223 -0.155 0.000 2.381 333 L HA 0.723 5.063 4.340 -0.000 0.000 0.274 333 L C -1.334 175.522 176.870 -0.022 0.000 0.988 333 L CA -0.561 54.320 54.840 0.068 0.000 0.824 333 L CB 2.107 44.289 42.059 0.205 0.000 1.263 333 L HN 0.680 nan 8.230 nan 0.000 0.410 334 V N 1.443 121.365 119.914 0.014 0.000 2.914 334 V HA 0.772 4.892 4.120 -0.000 0.000 0.314 334 V C -0.705 175.411 176.094 0.036 0.000 1.084 334 V CA -0.955 61.347 62.300 0.003 0.000 0.963 334 V CB 1.841 33.658 31.823 -0.010 0.000 1.025 334 V HN 0.729 nan 8.190 nan 0.000 0.432 335 K N 2.665 123.085 120.400 0.033 0.000 2.159 335 K HA 0.736 5.056 4.320 -0.000 0.000 0.266 335 K C -1.068 175.574 176.600 0.070 0.000 0.975 335 K CA -0.571 55.749 56.287 0.054 0.000 0.865 335 K CB 1.271 33.796 32.500 0.042 0.000 1.087 335 K HN 0.872 nan 8.250 nan 0.000 0.446 336 L N 3.304 124.584 121.223 0.096 0.000 2.334 336 L HA 0.502 4.842 4.340 -0.000 0.000 0.272 336 L C -0.204 176.741 176.870 0.126 0.000 1.020 336 L CA -1.134 53.771 54.840 0.108 0.000 0.812 336 L CB 1.648 43.760 42.059 0.089 0.000 1.264 336 L HN 0.650 nan 8.230 nan 0.000 0.439 337 N N -0.480 118.342 118.700 0.204 0.000 2.370 337 N HA 0.307 5.046 4.740 -0.000 0.000 0.303 337 N C 0.655 176.350 175.510 0.308 0.000 1.103 337 N CA -0.595 52.608 53.050 0.254 0.000 0.848 337 N CB 2.236 40.874 38.487 0.253 0.000 1.235 337 N HN 0.404 nan 8.380 nan 0.000 0.496 338 V N -2.055 117.981 119.914 0.202 0.000 2.346 338 V HA 0.101 4.221 4.120 -0.000 0.000 0.244 338 V C 0.453 176.733 176.094 0.310 0.000 1.037 338 V CA 1.273 63.675 62.300 0.170 0.000 1.029 338 V CB -0.198 31.678 31.823 0.089 0.000 0.663 338 V HN 0.497 nan 8.190 nan 0.000 0.454 339 D N 1.364 121.898 120.400 0.224 0.000 2.408 339 D HA 0.379 5.019 4.640 -0.000 0.000 0.243 339 D C -0.300 175.938 176.300 -0.102 0.000 1.075 339 D CA 0.049 54.118 54.000 0.116 0.000 0.832 339 D CB 2.023 42.849 40.800 0.043 0.000 1.162 339 D HN 0.537 nan 8.370 nan 0.000 0.515 340 S N 2.830 118.230 115.700 -0.500 0.000 2.548 340 S HA 0.265 4.735 4.470 -0.000 0.000 0.277 340 S C 0.702 175.103 174.600 -0.331 0.000 1.315 340 S CA -0.617 57.139 58.200 -0.740 0.000 1.050 340 S CB 0.952 63.344 63.200 -1.348 0.000 0.918 340 S HN 0.531 nan 8.310 nan 0.000 0.497 341 N N 2.471 121.031 118.700 -0.232 0.000 2.295 341 N HA 0.144 4.884 4.740 -0.000 0.000 0.273 341 N C -0.433 175.003 175.510 -0.123 0.000 1.318 341 N CA -0.591 52.378 53.050 -0.135 0.000 0.935 341 N CB -0.574 37.858 38.487 -0.091 0.000 1.061 341 N HN 0.843 nan 8.380 nan 0.000 0.462 342 E N -1.146 119.002 120.200 -0.088 0.000 2.414 342 E HA 0.026 4.376 4.350 -0.000 0.000 0.263 342 E C -0.641 175.910 176.600 -0.082 0.000 1.000 342 E CA -0.276 56.080 56.400 -0.074 0.000 0.914 342 E CB 0.095 29.762 29.700 -0.055 0.000 0.948 342 E HN 0.493 nan 8.360 nan 0.000 0.444 343 Q N 1.567 121.322 119.800 -0.075 0.000 2.494 343 Q HA -0.243 4.097 4.340 -0.000 0.000 0.266 343 Q C 0.685 176.633 176.000 -0.087 0.000 1.053 343 Q CA 0.475 56.235 55.803 -0.071 0.000 1.029 343 Q CB -2.103 26.596 28.738 -0.065 0.000 1.423 343 Q HN 1.241 nan 8.270 nan 0.000 0.516 344 G N 0.280 109.009 108.800 -0.119 0.000 2.283 344 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.280 344 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.280 344 G C -0.066 174.714 174.900 -0.200 0.000 1.029 344 G CA 0.660 45.660 45.100 -0.167 0.000 0.840 344 G HN 0.523 nan 8.290 nan 0.000 0.505 345 S N -0.733 114.851 115.700 -0.195 0.000 2.410 345 S HA 0.585 5.055 4.470 -0.000 0.000 0.304 345 S C 1.106 175.605 174.600 -0.169 0.000 1.095 345 S CA -0.580 57.544 58.200 -0.128 0.000 1.089 345 S CB 0.375 63.527 63.200 -0.081 0.000 0.968 345 S HN 0.299 nan 8.310 nan 0.000 0.480 346 Y N 3.325 123.609 120.300 -0.026 0.000 2.523 346 Y HA 0.226 4.776 4.550 -0.000 0.000 0.279 346 Y C 0.598 176.488 175.900 -0.017 0.000 1.139 346 Y CA -0.109 57.981 58.100 -0.017 0.000 1.296 346 Y CB 0.510 38.963 38.460 -0.012 0.000 1.045 346 Y HN 0.401 nan 8.280 nan 0.000 0.538 347 V N 1.148 121.122 119.914 0.101 0.000 2.398 347 V HA 0.454 4.574 4.120 -0.000 0.000 0.286 347 V C -0.360 175.740 176.094 0.010 0.000 1.026 347 V CA -1.069 61.260 62.300 0.048 0.000 0.868 347 V CB 1.605 33.439 31.823 0.017 0.000 0.982 347 V HN -0.226 nan 8.190 nan 0.000 0.443 348 V N 3.197 123.115 119.914 0.007 0.000 2.577 348 V HA 0.674 4.794 4.120 -0.000 0.000 0.303 348 V C 0.384 176.465 176.094 -0.022 0.000 1.042 348 V CA -0.835 61.458 62.300 -0.011 0.000 0.872 348 V CB 1.911 33.730 31.823 -0.007 0.000 0.998 348 V HN 1.028 nan 8.190 nan 0.000 0.423 349 A N 5.604 128.399 122.820 -0.041 0.000 2.491 349 A HA 0.439 4.759 4.320 -0.000 0.000 0.261 349 A C 0.876 178.422 177.584 -0.063 0.000 1.101 349 A CA 0.198 52.195 52.037 -0.066 0.000 0.772 349 A CB 0.127 19.079 19.000 -0.080 0.000 1.043 349 A HN 0.910 nan 8.150 nan 0.000 0.501 350 M N 1.245 120.803 119.600 -0.070 0.000 2.384 350 M HA 0.118 4.598 4.480 -0.000 0.000 0.258 350 M C 0.491 176.729 176.300 -0.103 0.000 1.130 350 M CA 1.249 56.515 55.300 -0.056 0.000 1.187 350 M CB 0.006 32.594 32.600 -0.020 0.000 1.307 350 M HN 0.702 nan 8.290 nan 0.000 0.468 351 E N 0.375 120.452 120.200 -0.205 0.000 2.248 351 E HA 0.315 4.665 4.350 -0.000 0.000 0.267 351 E C -1.251 174.921 176.600 -0.714 0.000 0.877 351 E CA -0.330 55.842 56.400 -0.381 0.000 0.759 351 E CB 2.450 31.950 29.700 -0.334 0.000 1.182 351 E HN 0.016 nan 8.360 nan 0.000 0.418 352 T N 3.000 117.214 114.554 -0.566 0.000 2.788 352 T HA 0.358 4.708 4.350 -0.000 0.000 0.296 352 T C -0.546 173.911 174.700 -0.405 0.000 1.009 352 T CA -0.505 61.313 62.100 -0.470 0.000 0.949 352 T CB -0.157 68.592 68.868 -0.197 0.000 0.946 352 T HN 0.215 nan 8.240 nan 0.000 0.453 353 F N 2.166 122.141 119.950 0.041 0.000 2.390 353 F HA 0.339 4.866 4.527 -0.000 0.000 0.361 353 F C 1.480 177.307 175.800 0.045 0.000 1.124 353 F CA -1.098 56.937 58.000 0.058 0.000 1.149 353 F CB 0.654 39.712 39.000 0.097 0.000 1.160 353 F HN 0.366 nan 8.300 nan 0.000 0.501 354 T N 3.792 118.461 114.554 0.192 0.000 2.916 354 T HA 0.042 4.392 4.350 -0.000 0.000 0.303 354 T C -0.283 174.481 174.700 0.106 0.000 1.025 354 T CA -0.312 61.853 62.100 0.109 0.000 1.142 354 T CB 0.165 69.084 68.868 0.085 0.000 0.947 354 T HN 0.801 nan 8.240 nan 0.000 0.544 355 N N 4.546 123.287 118.700 0.068 0.000 2.371 355 N HA 0.211 4.951 4.740 -0.000 0.000 0.291 355 N C 0.392 175.918 175.510 0.027 0.000 1.053 355 N CA -0.696 52.387 53.050 0.054 0.000 0.870 355 N CB 1.591 40.111 38.487 0.056 0.000 1.503 355 N HN 0.609 nan 8.380 nan 0.000 0.485 356 L N 1.949 123.185 121.223 0.022 0.000 2.307 356 L HA 0.261 4.601 4.340 -0.000 0.000 0.211 356 L C 1.625 178.496 176.870 0.001 0.000 1.099 356 L CA 0.206 55.050 54.840 0.007 0.000 0.816 356 L CB -0.207 41.855 42.059 0.006 0.000 0.952 356 L HN 0.570 nan 8.230 nan 0.000 0.455 357 G N 0.125 108.929 108.800 0.007 0.000 2.491 357 G HA2 0.138 4.098 3.960 -0.000 0.000 0.242 357 G HA3 0.138 4.098 3.960 -0.000 0.000 0.242 357 G C -2.035 172.855 174.900 -0.016 0.000 1.266 357 G CA -0.752 44.350 45.100 0.003 0.000 0.844 357 G HN -0.018 nan 8.290 nan 0.000 0.571 358 P HA -0.007 nan 4.420 nan 0.000 0.216 358 P C 0.641 177.948 177.300 0.012 0.000 1.153 358 P CA 0.374 63.468 63.100 -0.010 0.000 0.844 358 P CB 0.087 31.767 31.700 -0.033 0.000 0.787 359 I N -2.304 118.266 120.570 0.001 0.000 7.202 359 I HA -0.168 4.002 4.170 -0.000 0.000 0.126 359 I C 0.762 176.895 176.117 0.026 0.000 1.836 359 I CA -0.342 60.964 61.300 0.011 0.000 2.038 359 I CB -1.100 36.910 38.000 0.016 0.000 3.612 359 I HN -0.191 nan 8.210 nan 0.000 0.169 360 V N 1.500 121.428 119.914 0.023 0.000 2.725 360 V HA 0.087 4.207 4.120 -0.000 0.000 0.247 360 V C 0.701 176.828 176.094 0.056 0.000 1.058 360 V CA 1.864 64.191 62.300 0.045 0.000 1.080 360 V CB -0.035 31.811 31.823 0.038 0.000 0.713 360 V HN 0.789 nan 8.190 nan 0.000 0.465 361 D N -0.935 119.493 120.400 0.047 0.000 2.583 361 D HA 0.629 5.269 4.640 -0.000 0.000 0.248 361 D C -0.967 175.363 176.300 0.050 0.000 1.209 361 D CA -0.544 53.492 54.000 0.060 0.000 0.848 361 D CB 2.067 42.916 40.800 0.082 0.000 1.431 361 D HN 0.177 nan 8.370 nan 0.000 0.436 362 M N -0.015 119.625 119.600 0.066 0.000 2.534 362 M HA 0.643 5.123 4.480 -0.000 0.000 0.280 362 M C -1.325 175.035 176.300 0.100 0.000 1.217 362 M CA -0.866 54.472 55.300 0.064 0.000 0.893 362 M CB 1.824 34.447 32.600 0.038 0.000 1.730 362 M HN 0.535 nan 8.290 nan 0.000 0.483 363 C N 0.006 119.377 119.300 0.118 0.000 2.994 363 C HA 0.964 5.424 4.460 -0.000 0.000 0.304 363 C C -0.458 174.608 174.990 0.127 0.000 1.273 363 C CA -0.794 58.312 59.018 0.147 0.000 1.537 363 C CB 1.605 29.470 27.740 0.208 0.000 2.001 363 C HN 0.836 nan 8.230 nan 0.000 0.471 364 V N 1.600 121.585 119.914 0.119 0.000 2.532 364 V HA 0.780 4.900 4.120 -0.000 0.000 0.295 364 V C -0.150 175.994 176.094 0.084 0.000 1.041 364 V CA -0.141 62.212 62.300 0.090 0.000 0.926 364 V CB 1.516 33.391 31.823 0.085 0.000 0.992 364 V HN 0.883 nan 8.190 nan 0.000 0.457 365 V N 2.782 122.723 119.914 0.044 0.000 2.932 365 V HA 0.397 4.517 4.120 -0.000 0.000 0.307 365 V C -1.404 174.680 176.094 -0.016 0.000 1.147 365 V CA -0.827 61.465 62.300 -0.013 0.000 0.951 365 V CB 2.611 34.349 31.823 -0.141 0.000 1.031 365 V HN 0.900 nan 8.190 nan 0.000 0.426 366 D N 3.347 123.742 120.400 -0.008 0.000 2.428 366 D HA 0.480 5.119 4.640 -0.000 0.000 0.221 366 D C 0.260 176.554 176.300 -0.011 0.000 1.123 366 D CA -0.088 53.913 54.000 0.001 0.000 0.869 366 D CB 1.753 42.564 40.800 0.017 0.000 1.032 366 D HN 0.265 nan 8.370 nan 0.000 0.506 367 L N 2.028 123.242 121.223 -0.014 0.000 2.588 367 L HA 0.216 4.556 4.340 -0.000 0.000 0.194 367 L C 1.114 178.009 176.870 0.042 0.000 1.070 367 L CA 0.730 55.565 54.840 -0.009 0.000 0.852 367 L CB -0.386 41.651 42.059 -0.038 0.000 1.199 367 L HN 0.368 nan 8.230 nan 0.000 0.486 368 E N 0.236 120.458 120.200 0.037 0.000 2.029 368 E HA 0.481 4.831 4.350 -0.000 0.000 0.276 368 E C 1.019 177.636 176.600 0.029 0.000 1.163 368 E CA 0.515 56.942 56.400 0.045 0.000 0.909 368 E CB -0.838 28.883 29.700 0.034 0.000 1.046 368 E HN 0.418 nan 8.360 nan 0.000 0.406 369 R N 1.519 122.041 120.500 0.037 0.000 3.977 369 R HA -0.372 3.968 4.340 -0.000 0.000 0.428 369 R C 1.751 178.058 176.300 0.011 0.000 1.079 369 R CA 2.562 58.674 56.100 0.019 0.000 1.269 369 R CB -2.976 27.323 30.300 -0.001 0.000 1.856 369 R HN 1.439 nan 8.270 nan 0.000 0.551 370 Q N -3.913 115.898 119.800 0.017 0.000 2.152 370 Q HA -0.167 4.173 4.340 -0.000 0.000 0.151 370 Q C 1.146 177.143 176.000 -0.005 0.000 0.711 370 Q CA 2.839 58.648 55.803 0.011 0.000 1.423 370 Q CB -2.319 26.430 28.738 0.018 0.000 1.466 370 Q HN 2.068 nan 8.270 nan 0.000 0.901 371 G N 1.561 110.351 108.800 -0.018 0.000 2.254 371 G HA2 0.139 4.099 3.960 -0.000 0.000 0.253 371 G HA3 0.139 4.099 3.960 -0.000 0.000 0.253 371 G C -0.100 174.782 174.900 -0.030 0.000 1.246 371 G CA -0.306 44.773 45.100 -0.035 0.000 0.946 371 G HN 0.086 nan 8.290 nan 0.000 0.474 372 Q N 1.150 120.932 119.800 -0.031 0.000 2.687 372 Q HA -0.015 4.325 4.340 -0.000 0.000 0.341 372 Q C 0.981 176.969 176.000 -0.020 0.000 1.074 372 Q CA 1.229 57.020 55.803 -0.021 0.000 1.115 372 Q CB 0.770 29.494 28.738 -0.024 0.000 0.996 372 Q HN 0.717 nan 8.270 nan 0.000 0.397 373 G N 2.541 111.337 108.800 -0.007 0.000 2.477 373 G HA2 0.088 4.048 3.960 -0.000 0.000 0.197 373 G HA3 0.088 4.048 3.960 -0.000 0.000 0.197 373 G C 0.211 175.114 174.900 0.005 0.000 1.860 373 G CA 0.409 45.510 45.100 0.002 0.000 0.714 373 G HN 0.619 nan 8.290 nan 0.000 0.782 374 Q N -0.320 119.486 119.800 0.010 0.000 1.798 374 Q HA 0.196 4.536 4.340 -0.000 0.000 0.173 374 Q C -0.344 175.668 176.000 0.019 0.000 0.780 374 Q CA -0.171 55.641 55.803 0.015 0.000 0.866 374 Q CB -0.656 28.090 28.738 0.013 0.000 1.234 374 Q HN 0.486 nan 8.270 nan 0.000 0.390 375 L N -0.463 120.769 121.223 0.015 0.000 2.334 375 L HA 0.797 5.137 4.340 -0.000 0.000 0.277 375 L C -0.079 176.802 176.870 0.018 0.000 1.075 375 L CA -1.250 53.599 54.840 0.014 0.000 0.804 375 L CB 1.310 43.372 42.059 0.006 0.000 1.174 375 L HN -0.236 nan 8.230 nan 0.000 0.438 376 V N 1.361 121.283 119.914 0.013 0.000 2.435 376 V HA 0.445 4.565 4.120 -0.000 0.000 0.290 376 V C 0.175 176.263 176.094 -0.010 0.000 1.030 376 V CA -0.191 62.118 62.300 0.015 0.000 0.881 376 V CB 1.722 33.550 31.823 0.008 0.000 0.983 376 V HN 0.931 nan 8.190 nan 0.000 0.445 377 T N 4.205 118.753 114.554 -0.009 0.000 2.794 377 T HA 0.565 4.915 4.350 -0.000 0.000 0.280 377 T C 0.024 174.700 174.700 -0.041 0.000 0.987 377 T CA -0.423 61.627 62.100 -0.083 0.000 0.993 377 T CB 1.167 69.908 68.868 -0.211 0.000 0.939 377 T HN 1.023 nan 8.240 nan 0.000 0.449 378 C N 1.670 120.935 119.300 -0.058 0.000 3.955 378 C HA 0.952 5.412 4.460 -0.000 0.000 0.320 378 C C 0.376 175.343 174.990 -0.039 0.000 4.237 378 C CA -0.438 58.564 59.018 -0.026 0.000 1.624 378 C CB 1.018 28.748 27.740 -0.017 0.000 4.845 378 C HN 0.771 nan 8.230 nan 0.000 0.538 379 S N -1.106 114.578 115.700 -0.027 0.000 3.359 379 S HA 0.893 5.363 4.470 -0.000 0.000 0.323 379 S C -0.024 174.555 174.600 -0.035 0.000 1.143 379 S CA 0.214 58.395 58.200 -0.032 0.000 0.989 379 S CB 0.818 64.010 63.200 -0.014 0.000 1.375 379 S HN 1.456 nan 8.310 nan 0.000 0.728 380 G N -0.611 108.165 108.800 -0.039 0.000 3.243 380 G HA2 0.736 4.696 3.960 -0.000 0.000 0.248 380 G HA3 0.736 4.696 3.960 -0.000 0.000 0.248 380 G C -1.259 173.602 174.900 -0.065 0.000 1.267 380 G CA -0.369 44.700 45.100 -0.052 0.000 0.906 380 G HN 1.684 nan 8.290 nan 0.000 0.592 381 A N -1.789 120.988 122.820 -0.073 0.000 1.085 381 A HA 0.397 4.717 4.320 -0.000 0.000 0.208 381 A C -1.250 176.215 177.584 -0.198 0.000 1.175 381 A CA -0.279 51.685 52.037 -0.121 0.000 1.308 381 A CB -1.326 17.569 19.000 -0.175 0.000 0.562 381 A HN 1.179 nan 8.150 nan 0.000 0.635 382 F N 1.079 121.026 119.950 -0.004 0.000 1.974 382 F HA 0.286 4.813 4.527 -0.000 0.000 0.217 382 F C 1.991 177.795 175.800 0.007 0.000 1.278 382 F CA 0.622 58.618 58.000 -0.007 0.000 1.241 382 F CB -0.475 38.522 39.000 -0.006 0.000 1.985 382 F HN 0.459 nan 8.300 nan 0.000 0.120 383 K N 0.592 121.154 120.400 0.270 0.000 2.211 383 K HA -0.064 4.256 4.320 -0.000 0.000 0.203 383 K C 0.877 177.607 176.600 0.216 0.000 1.050 383 K CA 1.863 58.271 56.287 0.202 0.000 0.945 383 K CB -0.294 32.275 32.500 0.116 0.000 0.732 383 K HN 0.143 nan 8.250 nan 0.000 0.451 384 E N 1.411 121.704 120.200 0.156 0.000 2.472 384 E HA -0.018 4.332 4.350 -0.000 0.000 0.200 384 E C 0.704 177.317 176.600 0.022 0.000 1.046 384 E CA 0.779 57.229 56.400 0.084 0.000 0.871 384 E CB -0.590 29.144 29.700 0.057 0.000 0.806 384 E HN 0.505 nan 8.360 nan 0.000 0.533 385 G N 1.910 110.727 108.800 0.028 0.000 2.178 385 G HA2 0.142 4.102 3.960 -0.000 0.000 0.244 385 G HA3 0.142 4.102 3.960 -0.000 0.000 0.244 385 G C 0.041 174.875 174.900 -0.109 0.000 1.213 385 G CA 0.522 45.603 45.100 -0.032 0.000 0.912 385 G HN 0.169 nan 8.290 nan 0.000 0.474 386 S N 1.653 117.293 115.700 -0.100 0.000 2.570 386 S HA 0.614 5.084 4.470 -0.000 0.000 0.270 386 S C -0.830 173.708 174.600 -0.104 0.000 1.149 386 S CA -1.069 57.056 58.200 -0.125 0.000 0.837 386 S CB 1.614 64.751 63.200 -0.105 0.000 1.124 386 S HN 0.516 nan 8.310 nan 0.000 0.465 387 L N 2.125 123.277 121.223 -0.119 0.000 2.264 387 L HA 0.574 4.914 4.340 -0.000 0.000 0.289 387 L C -0.101 176.703 176.870 -0.111 0.000 1.044 387 L CA -0.734 54.032 54.840 -0.124 0.000 0.807 387 L CB 0.871 42.830 42.059 -0.166 0.000 1.192 387 L HN 0.523 nan 8.230 nan 0.000 0.425 388 R N 4.959 125.404 120.500 -0.093 0.000 2.338 388 R HA 0.535 4.875 4.340 -0.000 0.000 0.317 388 R C -0.691 175.559 176.300 -0.082 0.000 0.968 388 R CA -0.591 55.467 56.100 -0.070 0.000 0.849 388 R CB 1.381 31.656 30.300 -0.040 0.000 1.128 388 R HN 0.525 nan 8.270 nan 0.000 0.448 389 I N 5.033 125.558 120.570 -0.075 0.000 2.307 389 I HA 0.371 4.541 4.170 -0.000 0.000 0.289 389 I C 0.085 176.189 176.117 -0.021 0.000 1.021 389 I CA -0.350 60.908 61.300 -0.071 0.000 1.224 389 I CB 0.824 38.771 38.000 -0.087 0.000 1.376 389 I HN 0.341 nan 8.210 nan 0.000 0.470 390 I N 7.400 127.963 120.570 -0.011 0.000 2.382 390 I HA 0.481 4.651 4.170 -0.000 0.000 0.286 390 I C -0.135 175.996 176.117 0.024 0.000 1.002 390 I CA -0.621 60.688 61.300 0.015 0.000 1.135 390 I CB 1.110 39.114 38.000 0.005 0.000 1.288 390 I HN 0.603 nan 8.210 nan 0.000 0.448 391 R N 3.229 123.759 120.500 0.050 0.000 2.807 391 R HA 0.568 4.908 4.340 -0.000 0.000 0.276 391 R C -1.052 175.293 176.300 0.075 0.000 0.979 391 R CA -0.921 55.211 56.100 0.053 0.000 0.928 391 R CB 1.588 31.916 30.300 0.046 0.000 1.191 391 R HN 0.372 nan 8.270 nan 0.000 0.471 392 N N 0.109 118.843 118.700 0.056 0.000 2.438 392 N HA 0.570 5.310 4.740 -0.000 0.000 0.282 392 N C -0.935 174.616 175.510 0.068 0.000 1.037 392 N CA 0.257 53.337 53.050 0.050 0.000 0.942 392 N CB 1.817 40.320 38.487 0.026 0.000 1.136 392 N HN 0.895 nan 8.380 nan 0.000 0.481 393 G N 1.687 110.546 108.800 0.097 0.000 2.322 393 G HA2 0.211 4.171 3.960 -0.000 0.000 0.295 393 G HA3 0.211 4.171 3.960 -0.000 0.000 0.295 393 G C -1.340 173.648 174.900 0.147 0.000 1.369 393 G CA -0.776 44.386 45.100 0.103 0.000 0.821 393 G HN 0.440 nan 8.290 nan 0.000 0.536 394 I N 1.967 122.600 120.570 0.105 0.000 2.322 394 I HA 0.373 4.543 4.170 -0.000 0.000 0.292 394 I C 1.297 177.460 176.117 0.077 0.000 1.060 394 I CA -0.194 61.171 61.300 0.107 0.000 1.309 394 I CB 0.784 38.837 38.000 0.088 0.000 1.415 394 I HN 0.580 nan 8.210 nan 0.000 0.492 395 G N 7.429 116.294 108.800 0.108 0.000 2.476 395 G HA2 0.474 4.434 3.960 -0.000 0.000 0.269 395 G HA3 0.474 4.434 3.960 -0.000 0.000 0.269 395 G C -0.296 174.431 174.900 -0.289 0.000 1.195 395 G CA -0.458 44.544 45.100 -0.163 0.000 0.843 395 G HN 0.388 nan 8.290 nan 0.000 0.545 396 I N 0.954 121.331 120.570 -0.322 0.000 2.441 396 I HA 0.248 4.418 4.170 -0.000 0.000 0.295 396 I C -0.458 175.414 176.117 -0.408 0.000 0.994 396 I CA -1.020 60.080 61.300 -0.333 0.000 1.144 396 I CB 1.501 39.400 38.000 -0.170 0.000 1.314 396 I HN 0.510 nan 8.210 nan 0.000 0.445 397 H N 4.184 123.180 119.070 -0.124 0.000 2.641 397 H HA 0.284 4.840 4.556 -0.000 0.000 0.295 397 H C -0.313 174.759 175.328 -0.426 0.000 1.070 397 H CA -0.555 55.367 56.048 -0.211 0.000 1.257 397 H CB 0.714 30.383 29.762 -0.156 0.000 1.393 397 H HN 0.413 nan 8.280 nan 0.000 0.464 398 E N 2.114 122.200 120.200 -0.189 0.000 2.376 398 E HA -0.013 4.337 4.350 -0.000 0.000 0.266 398 E C -0.000 176.465 176.600 -0.225 0.000 1.009 398 E CA 0.262 56.549 56.400 -0.189 0.000 0.902 398 E CB 0.872 30.530 29.700 -0.070 0.000 0.972 398 E HN 0.790 nan 8.360 nan 0.000 0.439 399 H N 0.521 119.639 119.070 0.081 0.000 3.058 399 H HA 0.354 4.910 4.556 -0.000 0.000 0.258 399 H C -0.163 175.257 175.328 0.153 0.000 1.015 399 H CA 0.020 56.156 56.048 0.147 0.000 1.210 399 H CB 1.156 31.065 29.762 0.246 0.000 1.481 399 H HN 0.482 nan 8.280 nan 0.000 0.492 400 A N 0.260 123.160 122.820 0.133 0.000 2.594 400 A HA 0.639 4.959 4.320 -0.000 0.000 0.295 400 A C -1.171 176.404 177.584 -0.015 0.000 1.071 400 A CA -0.595 51.486 52.037 0.073 0.000 0.685 400 A CB 1.915 20.948 19.000 0.054 0.000 1.285 400 A HN 0.019 nan 8.150 nan 0.000 0.405 401 S N 0.860 116.561 115.700 0.002 0.000 2.652 401 S HA 0.603 5.073 4.470 -0.000 0.000 0.273 401 S C -1.384 173.218 174.600 0.002 0.000 1.172 401 S CA -0.402 57.790 58.200 -0.014 0.000 1.009 401 S CB 0.157 63.352 63.200 -0.009 0.000 1.094 401 S HN 0.628 nan 8.310 nan 0.000 0.471 402 I N 3.097 123.666 120.570 -0.001 0.000 2.441 402 I HA 0.386 4.556 4.170 -0.000 0.000 0.295 402 I C -0.494 175.636 176.117 0.022 0.000 0.994 402 I CA -0.868 60.441 61.300 0.016 0.000 1.144 402 I CB 1.627 39.641 38.000 0.023 0.000 1.314 402 I HN 0.474 nan 8.210 nan 0.000 0.445 403 D N 6.727 127.142 120.400 0.025 0.000 2.367 403 D HA 0.265 4.905 4.640 -0.000 0.000 0.255 403 D C -0.749 175.577 176.300 0.043 0.000 1.300 403 D CA 0.262 54.280 54.000 0.029 0.000 0.959 403 D CB 0.944 41.757 40.800 0.021 0.000 1.064 403 D HN 0.074 nan 8.370 nan 0.000 0.509 404 L N 5.772 127.037 121.223 0.069 0.000 2.595 404 L HA 0.309 4.649 4.340 -0.000 0.000 0.259 404 L C -2.702 174.275 176.870 0.179 0.000 1.033 404 L CA -1.758 53.153 54.840 0.119 0.000 0.901 404 L CB 1.983 44.132 42.059 0.151 0.000 1.151 404 L HN 0.029 nan 8.230 nan 0.000 0.453 405 P HA 0.524 nan 4.420 nan 0.000 0.286 405 P C 0.487 177.937 177.300 0.249 0.000 1.261 405 P CA 0.161 63.353 63.100 0.153 0.000 0.821 405 P CB 1.638 33.391 31.700 0.089 0.000 1.013 406 G N 2.005 110.929 108.800 0.206 0.000 2.149 406 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.235 406 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.235 406 G C 0.097 175.125 174.900 0.213 0.000 1.018 406 G CA -0.385 44.852 45.100 0.227 0.000 0.728 406 G HN 0.501 nan 8.290 nan 0.000 0.508 407 I N -0.140 120.472 120.570 0.071 0.000 2.710 407 I HA 0.107 4.277 4.170 -0.000 0.000 0.286 407 I C 1.182 177.189 176.117 -0.183 0.000 1.181 407 I CA 0.451 61.579 61.300 -0.286 0.000 1.430 407 I CB 0.600 38.456 38.000 -0.241 0.000 1.367 407 I HN -0.092 nan 8.210 nan 0.000 0.577 408 K N 4.290 124.439 120.400 -0.419 0.000 2.506 408 K HA 0.385 4.705 4.320 -0.000 0.000 0.204 408 K C 0.064 176.052 176.600 -1.020 0.000 1.045 408 K CA -0.104 55.907 56.287 -0.460 0.000 1.074 408 K CB 1.239 33.684 32.500 -0.092 0.000 0.842 408 K HN 0.949 nan 8.250 nan 0.000 0.514 409 G N 0.755 108.891 108.800 -1.106 0.000 2.352 409 G HA2 0.252 4.212 3.960 -0.000 0.000 0.303 409 G HA3 0.252 4.212 3.960 -0.000 0.000 0.303 409 G C -1.942 172.172 174.900 -1.310 0.000 1.593 409 G CA -0.984 43.356 45.100 -1.266 0.000 0.963 409 G HN 0.001 nan 8.290 nan 0.000 0.685 410 L N 0.479 120.746 121.223 -1.593 0.000 2.408 410 L HA 0.783 5.123 4.340 -0.000 0.000 0.268 410 L C -0.835 175.319 176.870 -1.192 0.000 0.986 410 L CA -0.736 53.467 54.840 -1.062 0.000 0.820 410 L CB 2.328 44.045 42.059 -0.571 0.000 1.303 410 L HN 0.616 nan 8.230 nan 0.000 0.411 411 W N 2.803 123.995 121.300 -0.180 0.000 3.097 411 W HA 0.352 5.012 4.660 -0.000 0.000 0.335 411 W C -2.619 173.739 176.519 -0.268 0.000 1.114 411 W CA -1.476 55.742 57.345 -0.211 0.000 1.231 411 W CB 2.160 31.469 29.460 -0.252 0.000 1.388 411 W HN 0.121 nan 8.180 nan 0.000 0.485 412 P HA 0.488 nan 4.420 nan 0.000 0.274 412 P C -0.867 176.221 177.300 -0.354 0.000 1.256 412 P CA -0.068 62.687 63.100 -0.574 0.000 0.795 412 P CB 2.190 33.031 31.700 -1.431 0.000 1.038 413 L N 0.267 121.348 121.223 -0.237 0.000 2.592 413 L HA 0.348 4.688 4.340 -0.000 0.000 0.258 413 L C -0.386 176.604 176.870 0.200 0.000 0.926 413 L CA -0.585 54.275 54.840 0.033 0.000 0.885 413 L CB 2.301 44.339 42.059 -0.035 0.000 1.380 413 L HN 0.278 nan 8.230 nan 0.000 0.415 414 R N 1.419 122.046 120.500 0.212 0.000 2.247 414 R HA 0.209 4.549 4.340 -0.000 0.000 0.329 414 R C 0.944 177.281 176.300 0.062 0.000 1.014 414 R CA 0.006 56.195 56.100 0.149 0.000 0.907 414 R CB 1.481 31.858 30.300 0.129 0.000 1.146 414 R HN 0.727 nan 8.270 nan 0.000 0.499 415 S N 1.373 117.089 115.700 0.026 0.000 2.383 415 S HA -0.138 4.332 4.470 -0.000 0.000 0.227 415 S C 0.786 175.386 174.600 0.001 0.000 1.026 415 S CA 0.848 59.038 58.200 -0.016 0.000 0.981 415 S CB 0.086 63.261 63.200 -0.042 0.000 0.818 415 S HN 0.508 nan 8.310 nan 0.000 0.472 416 D N 2.606 123.015 120.400 0.014 0.000 2.316 416 D HA 0.327 4.967 4.640 -0.000 0.000 0.245 416 D C -1.417 174.894 176.300 0.020 0.000 1.171 416 D CA -2.528 51.480 54.000 0.014 0.000 0.856 416 D CB 1.751 42.558 40.800 0.012 0.000 1.090 416 D HN 0.113 nan 8.370 nan 0.000 0.476 417 P HA -0.091 nan 4.420 nan 0.000 0.219 417 P C 0.647 177.956 177.300 0.016 0.000 1.150 417 P CA 0.601 63.715 63.100 0.023 0.000 0.814 417 P CB 0.411 32.126 31.700 0.025 0.000 0.787 418 N N -0.571 118.137 118.700 0.012 0.000 2.443 418 N HA -0.067 4.673 4.740 -0.000 0.000 0.184 418 N C 0.944 176.455 175.510 0.003 0.000 1.037 418 N CA 0.745 53.799 53.050 0.008 0.000 0.896 418 N CB -0.419 38.072 38.487 0.007 0.000 0.959 418 N HN 0.115 nan 8.380 nan 0.000 0.442 419 R N 1.453 121.956 120.500 0.004 0.000 2.349 419 R HA 0.118 4.458 4.340 -0.000 0.000 0.299 419 R C 1.048 177.340 176.300 -0.014 0.000 1.027 419 R CA -0.145 55.954 56.100 -0.002 0.000 0.958 419 R CB 0.899 31.203 30.300 0.006 0.000 1.047 419 R HN 0.208 nan 8.270 nan 0.000 0.468 420 E N 0.985 121.168 120.200 -0.028 0.000 2.046 420 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 420 E C 0.575 177.114 176.600 -0.102 0.000 0.982 420 E CA 1.223 57.591 56.400 -0.053 0.000 0.800 420 E CB -0.175 29.496 29.700 -0.048 0.000 0.756 420 E HN 0.665 nan 8.360 nan 0.000 0.449 421 T N -0.922 113.579 114.554 -0.087 0.000 2.828 421 T HA 0.200 4.550 4.350 -0.000 0.000 0.290 421 T C 0.403 175.056 174.700 -0.078 0.000 1.019 421 T CA -0.583 61.441 62.100 -0.125 0.000 1.031 421 T CB 0.324 69.169 68.868 -0.038 0.000 1.001 421 T HN -0.052 nan 8.240 nan 0.000 0.531 422 Y N 1.186 121.512 120.300 0.042 0.000 2.457 422 Y HA 0.257 4.807 4.550 -0.000 0.000 0.341 422 Y C 1.408 177.331 175.900 0.040 0.000 1.240 422 Y CA -0.345 57.780 58.100 0.042 0.000 1.437 422 Y CB 0.635 39.126 38.460 0.052 0.000 1.328 422 Y HN 0.909 nan 8.280 nan 0.000 0.588 423 D N -2.273 118.256 120.400 0.215 0.000 2.490 423 D HA 0.078 4.718 4.640 -0.000 0.000 0.246 423 D C -0.435 175.914 176.300 0.081 0.000 1.196 423 D CA 0.072 54.145 54.000 0.121 0.000 0.812 423 D CB 0.152 40.995 40.800 0.072 0.000 1.191 423 D HN 0.348 nan 8.370 nan 0.000 0.531 424 T N 0.890 115.484 114.554 0.066 0.000 2.881 424 T HA 0.546 4.896 4.350 -0.000 0.000 0.290 424 T C -1.291 173.398 174.700 -0.018 0.000 1.000 424 T CA -0.662 61.443 62.100 0.009 0.000 0.978 424 T CB 2.317 71.159 68.868 -0.043 0.000 0.997 424 T HN 0.054 nan 8.240 nan 0.000 0.443 425 L N 3.786 125.002 121.223 -0.013 0.000 2.325 425 L HA 0.742 5.082 4.340 -0.000 0.000 0.281 425 L C -1.076 175.805 176.870 0.018 0.000 1.004 425 L CA -0.605 54.218 54.840 -0.028 0.000 0.823 425 L CB 1.380 43.414 42.059 -0.043 0.000 1.236 425 L HN 0.523 nan 8.230 nan 0.000 0.415 426 V N 6.299 126.260 119.914 0.078 0.000 2.459 426 V HA 0.557 4.677 4.120 -0.000 0.000 0.295 426 V C -0.141 176.106 176.094 0.255 0.000 1.029 426 V CA -0.549 61.855 62.300 0.173 0.000 0.874 426 V CB 1.600 33.550 31.823 0.213 0.000 0.985 426 V HN 0.662 nan 8.190 nan 0.000 0.438 427 L N 3.596 124.919 121.223 0.168 0.000 2.354 427 L HA 0.890 5.230 4.340 -0.000 0.000 0.264 427 L C -0.171 176.698 176.870 -0.002 0.000 1.008 427 L CA -0.637 54.201 54.840 -0.004 0.000 0.819 427 L CB 2.235 44.174 42.059 -0.199 0.000 1.339 427 L HN 0.645 nan 8.230 nan 0.000 0.420 428 S N 0.189 115.788 115.700 -0.168 0.000 2.513 428 S HA 0.842 5.312 4.470 -0.000 0.000 0.299 428 S C -0.955 173.360 174.600 -0.476 0.000 1.087 428 S CA -0.578 57.566 58.200 -0.094 0.000 1.012 428 S CB 1.498 64.818 63.200 0.201 0.000 1.044 428 S HN 0.399 nan 8.310 nan 0.000 0.485 429 F N 0.395 120.390 119.950 0.075 0.000 2.712 429 F HA 0.528 5.055 4.527 -0.000 0.000 0.367 429 F C 1.611 177.456 175.800 0.076 0.000 1.132 429 F CA -1.265 56.773 58.000 0.063 0.000 1.066 429 F CB 0.364 39.394 39.000 0.049 0.000 1.416 429 F HN 0.389 nan 8.300 nan 0.000 0.515 430 V N 0.895 120.982 119.914 0.288 0.000 2.233 430 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 430 V C 2.247 178.438 176.094 0.162 0.000 1.050 430 V CA 2.495 64.912 62.300 0.194 0.000 1.010 430 V CB -1.480 30.441 31.823 0.163 0.000 0.637 430 V HN 1.013 nan 8.190 nan 0.000 0.444 431 G N 0.189 109.079 108.800 0.149 0.000 2.587 431 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.217 431 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.217 431 G C 0.790 175.751 174.900 0.102 0.000 1.240 431 G CA 1.594 46.755 45.100 0.101 0.000 0.794 431 G HN 0.659 nan 8.290 nan 0.000 0.580 432 Q N -2.041 117.851 119.800 0.153 0.000 2.878 432 Q HA 0.358 4.697 4.340 -0.000 0.000 0.341 432 Q C -1.517 174.615 176.000 0.220 0.000 0.824 432 Q CA -0.568 55.313 55.803 0.131 0.000 0.811 432 Q CB 0.220 29.006 28.738 0.080 0.000 1.364 432 Q HN 0.085 nan 8.270 nan 0.000 0.514 433 T N 2.202 116.848 114.554 0.154 0.000 2.837 433 T HA 0.661 5.011 4.350 -0.000 0.000 0.285 433 T C -0.435 174.395 174.700 0.216 0.000 0.984 433 T CA -0.755 61.453 62.100 0.180 0.000 1.049 433 T CB 0.746 69.661 68.868 0.080 0.000 0.947 433 T HN 0.325 nan 8.240 nan 0.000 0.472 434 R N 1.587 122.258 120.500 0.285 0.000 2.711 434 R HA 0.716 5.056 4.340 -0.000 0.000 0.284 434 R C -1.372 175.026 176.300 0.165 0.000 0.968 434 R CA -0.898 55.332 56.100 0.217 0.000 0.924 434 R CB 1.253 31.703 30.300 0.251 0.000 1.162 434 R HN 0.353 nan 8.270 nan 0.000 0.465 435 V N 3.513 123.488 119.914 0.102 0.000 2.417 435 V HA 0.381 4.501 4.120 -0.000 0.000 0.291 435 V C -0.014 176.105 176.094 0.042 0.000 1.024 435 V CA -0.749 61.583 62.300 0.053 0.000 0.861 435 V CB 1.663 33.483 31.823 -0.003 0.000 0.985 435 V HN 0.474 nan 8.190 nan 0.000 0.436 436 L N 5.782 127.027 121.223 0.036 0.000 2.294 436 L HA 0.531 4.871 4.340 -0.000 0.000 0.283 436 L C 0.018 176.900 176.870 0.022 0.000 1.015 436 L CA -0.217 54.643 54.840 0.034 0.000 0.831 436 L CB 1.434 43.519 42.059 0.042 0.000 1.217 436 L HN 0.631 nan 8.230 nan 0.000 0.420 437 M N 5.328 124.940 119.600 0.020 0.000 2.188 437 M HA 0.325 4.805 4.480 -0.000 0.000 0.354 437 M C -1.194 175.135 176.300 0.047 0.000 1.342 437 M CA -0.239 55.074 55.300 0.021 0.000 1.117 437 M CB 0.619 33.225 32.600 0.009 0.000 1.670 437 M HN 0.493 nan 8.290 nan 0.000 0.466 438 L N 6.222 127.485 121.223 0.065 0.000 2.255 438 L HA 0.307 4.647 4.340 -0.000 0.000 0.289 438 L C 0.184 177.095 176.870 0.069 0.000 1.046 438 L CA -0.372 54.529 54.840 0.101 0.000 0.816 438 L CB 0.682 42.835 42.059 0.156 0.000 1.197 438 L HN 0.822 nan 8.230 nan 0.000 0.427 439 N N 1.682 120.413 118.700 0.052 0.000 2.129 439 N HA 0.163 4.903 4.740 -0.000 0.000 0.224 439 N C 1.331 176.840 175.510 -0.000 0.000 1.039 439 N CA 0.600 53.664 53.050 0.023 0.000 1.101 439 N CB -0.170 38.327 38.487 0.017 0.000 1.401 439 N HN 0.649 nan 8.380 nan 0.000 0.582 440 G N 0.529 109.317 108.800 -0.019 0.000 2.937 440 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.160 440 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.160 440 G C 0.372 175.189 174.900 -0.138 0.000 1.863 440 G CA 0.159 45.219 45.100 -0.067 0.000 0.941 440 G HN 0.376 nan 8.290 nan 0.000 0.419 441 E N 0.554 120.648 120.200 -0.176 0.000 2.476 441 E HA 0.090 4.440 4.350 -0.000 0.000 0.191 441 E C 0.363 176.994 176.600 0.052 0.000 1.064 441 E CA -0.136 56.100 56.400 -0.273 0.000 0.866 441 E CB 0.375 29.923 29.700 -0.254 0.000 0.952 441 E HN 0.411 nan 8.360 nan 0.000 0.492 442 E N 1.965 122.195 120.200 0.050 0.000 2.200 442 E HA 0.171 4.521 4.350 -0.000 0.000 0.283 442 E C -0.486 176.181 176.600 0.111 0.000 1.015 442 E CA -0.457 55.992 56.400 0.082 0.000 0.819 442 E CB 1.282 31.006 29.700 0.040 0.000 1.081 442 E HN -0.033 nan 8.360 nan 0.000 0.397 443 V N 1.665 121.650 119.914 0.119 0.000 2.716 443 V HA 0.581 4.701 4.120 -0.000 0.000 0.304 443 V C -0.465 175.665 176.094 0.061 0.000 1.053 443 V CA -0.453 61.904 62.300 0.095 0.000 0.984 443 V CB 1.623 33.496 31.823 0.085 0.000 1.021 443 V HN 0.723 nan 8.190 nan 0.000 0.467 444 E N 2.046 122.275 120.200 0.049 0.000 2.313 444 E HA 0.221 4.571 4.350 -0.000 0.000 0.280 444 E C -1.329 175.289 176.600 0.030 0.000 0.898 444 E CA -0.369 56.052 56.400 0.035 0.000 0.803 444 E CB 2.137 31.854 29.700 0.028 0.000 1.286 444 E HN 0.952 nan 8.360 nan 0.000 0.401 445 E N 2.856 123.073 120.200 0.028 0.000 2.159 445 E HA 0.110 4.460 4.350 -0.000 0.000 0.272 445 E C -0.516 176.095 176.600 0.018 0.000 1.138 445 E CA 0.508 56.925 56.400 0.028 0.000 0.915 445 E CB 0.478 30.194 29.700 0.028 0.000 1.028 445 E HN 0.381 nan 8.360 nan 0.000 0.423 446 T N 2.628 117.189 114.554 0.012 0.000 2.708 446 T HA 0.483 4.833 4.350 -0.000 0.000 0.256 446 T C -0.454 174.246 174.700 0.000 0.000 0.946 446 T CA -0.903 61.198 62.100 0.002 0.000 1.039 446 T CB 0.900 69.763 68.868 -0.009 0.000 1.557 446 T HN 0.368 nan 8.240 nan 0.000 0.576 447 E N 0.097 120.289 120.200 -0.013 0.000 2.383 447 E HA 0.573 4.923 4.350 -0.000 0.000 0.275 447 E C -1.369 175.197 176.600 -0.055 0.000 0.918 447 E CA -0.818 55.572 56.400 -0.018 0.000 0.764 447 E CB 2.145 31.851 29.700 0.009 0.000 1.252 447 E HN 0.606 nan 8.360 nan 0.000 0.449 448 L N -0.608 120.548 121.223 -0.112 0.000 2.325 448 L HA 0.686 5.026 4.340 -0.000 0.000 0.278 448 L C -0.272 176.569 176.870 -0.049 0.000 1.023 448 L CA -1.147 53.606 54.840 -0.146 0.000 0.811 448 L CB 1.059 42.924 42.059 -0.324 0.000 1.249 448 L HN 0.510 nan 8.230 nan 0.000 0.431 449 M N 3.464 123.056 119.600 -0.013 0.000 2.248 449 M HA 0.414 4.894 4.480 -0.000 0.000 0.345 449 M C 1.055 177.416 176.300 0.102 0.000 1.243 449 M CA 1.757 57.081 55.300 0.040 0.000 1.090 449 M CB 0.499 33.114 32.600 0.026 0.000 1.683 449 M HN 1.019 nan 8.290 nan 0.000 0.450 450 G N 3.007 111.889 108.800 0.136 0.000 2.232 450 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.226 450 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.226 450 G C -0.215 174.840 174.900 0.260 0.000 0.996 450 G CA -0.424 44.781 45.100 0.175 0.000 0.626 450 G HN 0.572 nan 8.290 nan 0.000 0.509 451 F N 2.077 122.009 119.950 -0.030 0.000 2.410 451 F HA 0.588 5.115 4.527 -0.000 0.000 0.349 451 F C 1.018 176.794 175.800 -0.040 0.000 1.117 451 F CA -1.066 56.906 58.000 -0.047 0.000 1.104 451 F CB 1.577 40.543 39.000 -0.056 0.000 1.122 451 F HN 0.286 nan 8.300 nan 0.000 0.483 452 V N 0.404 120.332 119.914 0.024 0.000 2.904 452 V HA 0.518 4.638 4.120 -0.000 0.000 0.305 452 V C -0.410 175.696 176.094 0.019 0.000 1.067 452 V CA -0.754 61.550 62.300 0.007 0.000 1.044 452 V CB 1.564 33.359 31.823 -0.046 0.000 1.050 452 V HN 0.728 nan 8.190 nan 0.000 0.475 453 D N -0.669 119.746 120.400 0.026 0.000 2.908 453 D HA 0.238 4.878 4.640 -0.000 0.000 0.361 453 D C 0.077 176.389 176.300 0.019 0.000 1.416 453 D CA -0.355 53.665 54.000 0.033 0.000 0.796 453 D CB 0.346 41.186 40.800 0.066 0.000 1.185 453 D HN 0.466 nan 8.370 nan 0.000 0.451 454 D N 0.307 120.705 120.400 -0.003 0.000 2.149 454 D HA -0.054 4.586 4.640 -0.000 0.000 0.206 454 D C 1.210 177.508 176.300 -0.005 0.000 0.967 454 D CA 1.204 55.202 54.000 -0.005 0.000 0.848 454 D CB 0.329 41.119 40.800 -0.016 0.000 0.998 454 D HN 0.428 nan 8.370 nan 0.000 0.474 455 Q N 0.242 120.024 119.800 -0.030 0.000 2.814 455 Q HA 0.289 4.629 4.340 -0.000 0.000 0.283 455 Q C -0.346 175.614 176.000 -0.066 0.000 1.071 455 Q CA -0.787 54.991 55.803 -0.040 0.000 0.849 455 Q CB 1.002 29.699 28.738 -0.068 0.000 1.437 455 Q HN -0.027 nan 8.270 nan 0.000 0.492 456 Q N 0.205 119.952 119.800 -0.089 0.000 2.352 456 Q HA 0.253 4.593 4.340 -0.000 0.000 0.260 456 Q C -0.859 174.957 176.000 -0.306 0.000 0.976 456 Q CA 0.129 55.876 55.803 -0.094 0.000 0.881 456 Q CB 0.810 29.561 28.738 0.021 0.000 1.235 456 Q HN 0.587 nan 8.270 nan 0.000 0.419 457 T N 4.340 118.773 114.554 -0.202 0.000 2.845 457 T HA 0.230 4.580 4.350 -0.000 0.000 0.288 457 T C -0.032 174.594 174.700 -0.124 0.000 0.980 457 T CA -0.385 61.503 62.100 -0.353 0.000 1.071 457 T CB 0.352 68.917 68.868 -0.505 0.000 0.941 457 T HN 0.449 nan 8.240 nan 0.000 0.487 458 F N 1.507 121.399 119.950 -0.097 0.000 2.582 458 F HA 0.467 4.994 4.527 -0.000 0.000 0.290 458 F C 0.269 176.171 175.800 0.169 0.000 1.115 458 F CA -0.794 57.273 58.000 0.111 0.000 1.445 458 F CB 0.046 39.122 39.000 0.127 0.000 1.126 458 F HN 0.501 nan 8.300 nan 0.000 0.574 459 F N 0.380 120.172 119.950 -0.263 0.000 2.672 459 F HA 0.493 5.020 4.527 -0.000 0.000 0.311 459 F C -1.265 174.042 175.800 -0.822 0.000 1.113 459 F CA -1.689 55.987 58.000 -0.540 0.000 0.996 459 F CB 1.042 40.013 39.000 -0.049 0.000 1.286 459 F HN -0.024 nan 8.300 nan 0.000 0.441 460 C N 2.476 120.428 119.300 -2.246 0.000 3.239 460 C HA 1.093 5.553 4.460 -0.000 0.000 0.317 460 C C -0.396 173.802 174.990 -1.320 0.000 1.310 460 C CA -0.168 57.990 59.018 -1.433 0.000 1.371 460 C CB 1.236 28.575 27.740 -0.668 0.000 1.714 460 C HN 1.809 nan 8.230 nan 0.000 0.473 461 G N 1.495 109.959 108.800 -0.560 0.000 2.338 461 G HA2 0.407 4.367 3.960 -0.000 0.000 0.295 461 G HA3 0.407 4.367 3.960 -0.000 0.000 0.295 461 G C -1.802 173.143 174.900 0.074 0.000 1.461 461 G CA -0.810 44.192 45.100 -0.163 0.000 0.817 461 G HN 0.969 nan 8.290 nan 0.000 0.556 462 N N -0.911 117.866 118.700 0.128 0.000 2.441 462 N HA 0.402 5.141 4.740 -0.000 0.000 0.251 462 N C -0.232 175.368 175.510 0.151 0.000 1.242 462 N CA 0.228 53.359 53.050 0.135 0.000 0.898 462 N CB 1.878 40.449 38.487 0.140 0.000 1.100 462 N HN 0.411 nan 8.380 nan 0.000 0.443 463 V N 0.051 120.035 119.914 0.116 0.000 3.165 463 V HA 0.445 4.565 4.120 -0.000 0.000 0.309 463 V C 0.963 177.079 176.094 0.037 0.000 1.267 463 V CA -0.324 62.035 62.300 0.099 0.000 1.067 463 V CB 1.509 33.407 31.823 0.125 0.000 1.082 463 V HN 0.778 nan 8.190 nan 0.000 0.451 464 A N 0.638 123.448 122.820 -0.016 0.000 2.007 464 A HA -0.240 4.080 4.320 -0.000 0.000 0.214 464 A C 0.950 178.413 177.584 -0.202 0.000 1.302 464 A CA 2.303 54.236 52.037 -0.174 0.000 0.770 464 A CB -1.129 17.710 19.000 -0.269 0.000 0.831 464 A HN 0.969 nan 8.150 nan 0.000 0.491 465 H N 0.311 119.398 119.070 0.028 0.000 2.768 465 H HA 0.386 4.942 4.556 -0.000 0.000 0.219 465 H C -0.376 174.977 175.328 0.042 0.000 1.898 465 H CA 0.288 56.358 56.048 0.037 0.000 1.313 465 H CB -0.794 28.995 29.762 0.045 0.000 1.701 465 H HN 0.529 nan 8.280 nan 0.000 0.534 466 Q N 0.788 120.637 119.800 0.082 0.000 2.448 466 Q HA -0.276 4.064 4.340 -0.000 0.000 0.356 466 Q C -0.570 175.481 176.000 0.085 0.000 1.430 466 Q CA 0.660 56.506 55.803 0.071 0.000 1.011 466 Q CB -0.925 27.854 28.738 0.067 0.000 1.203 466 Q HN 0.730 nan 8.270 nan 0.000 0.351 467 Q N -0.170 119.683 119.800 0.088 0.000 2.501 467 Q HA 0.668 5.008 4.340 -0.000 0.000 0.288 467 Q C -1.391 174.673 176.000 0.106 0.000 1.051 467 Q CA -1.083 54.780 55.803 0.099 0.000 0.788 467 Q CB 1.516 30.324 28.738 0.116 0.000 1.469 467 Q HN 0.152 nan 8.270 nan 0.000 0.416 468 L N 1.391 122.692 121.223 0.130 0.000 2.334 468 L HA 0.612 4.952 4.340 -0.000 0.000 0.273 468 L C -0.715 176.265 176.870 0.183 0.000 1.013 468 L CA -0.358 54.588 54.840 0.177 0.000 0.816 468 L CB 1.631 43.830 42.059 0.234 0.000 1.278 468 L HN 0.614 nan 8.230 nan 0.000 0.431 469 I N 1.894 122.555 120.570 0.151 0.000 2.569 469 I HA 0.455 4.625 4.170 -0.000 0.000 0.296 469 I C -0.930 175.100 176.117 -0.145 0.000 1.028 469 I CA -0.375 60.958 61.300 0.055 0.000 1.082 469 I CB 1.705 39.789 38.000 0.139 0.000 1.264 469 I HN 0.696 nan 8.210 nan 0.000 0.429 470 Q N 8.111 127.693 119.800 -0.363 0.000 2.303 470 Q HA 0.430 4.770 4.340 -0.000 0.000 0.267 470 Q C -1.791 173.998 176.000 -0.351 0.000 1.011 470 Q CA -0.629 54.793 55.803 -0.636 0.000 0.740 470 Q CB 1.526 29.431 28.738 -1.388 0.000 1.250 470 Q HN 0.686 nan 8.270 nan 0.000 0.458 471 I N 3.663 124.111 120.570 -0.203 0.000 2.269 471 I HA 0.149 4.319 4.170 -0.000 0.000 0.293 471 I C 0.704 176.702 176.117 -0.198 0.000 1.106 471 I CA -0.130 61.120 61.300 -0.084 0.000 1.248 471 I CB 1.144 39.203 38.000 0.098 0.000 1.444 471 I HN 0.522 nan 8.210 nan 0.000 0.497 472 T N 2.714 117.114 114.554 -0.257 0.000 2.810 472 T HA 0.103 4.453 4.350 -0.000 0.000 0.277 472 T C 1.510 175.944 174.700 -0.443 0.000 0.973 472 T CA 0.089 61.958 62.100 -0.385 0.000 0.949 472 T CB 1.221 69.912 68.868 -0.295 0.000 1.075 472 T HN 0.690 nan 8.240 nan 0.000 0.537 473 S N 0.998 116.307 115.700 -0.653 0.000 2.368 473 S HA -0.018 4.452 4.470 -0.000 0.000 0.224 473 S C 2.358 176.905 174.600 -0.089 0.000 1.029 473 S CA 1.040 58.981 58.200 -0.432 0.000 0.988 473 S CB -0.990 62.007 63.200 -0.340 0.000 0.838 473 S HN 0.840 nan 8.310 nan 0.000 0.462 474 A N 1.557 124.313 122.820 -0.106 0.000 1.929 474 A HA 0.343 4.663 4.320 -0.000 0.000 0.216 474 A C 1.574 179.153 177.584 -0.007 0.000 1.176 474 A CA 1.115 53.127 52.037 -0.042 0.000 0.628 474 A CB -0.481 18.484 19.000 -0.059 0.000 0.816 474 A HN 0.980 nan 8.150 nan 0.000 0.444 475 S N -3.150 112.543 115.700 -0.011 0.000 2.790 475 S HA 0.590 5.060 4.470 -0.000 0.000 0.292 475 S C -1.269 173.375 174.600 0.073 0.000 1.197 475 S CA -0.374 57.859 58.200 0.055 0.000 0.851 475 S CB 1.251 64.451 63.200 0.000 0.000 1.217 475 S HN 0.431 nan 8.310 nan 0.000 0.526 476 V N 1.497 121.495 119.914 0.141 0.000 2.376 476 V HA 0.541 4.661 4.120 -0.000 0.000 0.287 476 V C -0.440 175.676 176.094 0.036 0.000 1.015 476 V CA -0.530 61.815 62.300 0.075 0.000 0.834 476 V CB 1.054 32.936 31.823 0.098 0.000 1.001 476 V HN 0.773 nan 8.190 nan 0.000 0.428 477 R N 3.851 124.311 120.500 -0.068 0.000 2.346 477 R HA 0.632 4.972 4.340 -0.000 0.000 0.311 477 R C -1.018 175.249 176.300 -0.056 0.000 0.983 477 R CA -0.777 55.276 56.100 -0.078 0.000 0.880 477 R CB 1.854 32.053 30.300 -0.168 0.000 1.100 477 R HN 0.511 nan 8.270 nan 0.000 0.453 478 L N 4.309 125.539 121.223 0.013 0.000 2.294 478 L HA 0.380 4.719 4.340 -0.000 0.000 0.283 478 L C -1.063 175.853 176.870 0.076 0.000 1.015 478 L CA -0.523 54.348 54.840 0.051 0.000 0.831 478 L CB 1.637 43.736 42.059 0.067 0.000 1.217 478 L HN 0.314 nan 8.230 nan 0.000 0.420 479 V N 3.060 123.045 119.914 0.118 0.000 2.713 479 V HA 0.634 4.754 4.120 -0.000 0.000 0.307 479 V C 0.191 176.352 176.094 0.113 0.000 1.052 479 V CA -0.533 61.850 62.300 0.139 0.000 0.967 479 V CB 1.899 33.867 31.823 0.241 0.000 1.019 479 V HN 0.875 nan 8.190 nan 0.000 0.459 480 S N 2.823 118.575 115.700 0.086 0.000 2.480 480 S HA 0.342 4.812 4.470 -0.000 0.000 0.286 480 S C 0.472 175.107 174.600 0.057 0.000 1.180 480 S CA -0.734 57.508 58.200 0.070 0.000 1.075 480 S CB 1.780 65.014 63.200 0.057 0.000 0.996 480 S HN 0.625 nan 8.310 nan 0.000 0.487 481 Q N 1.407 121.239 119.800 0.055 0.000 1.948 481 Q HA -0.060 4.280 4.340 -0.000 0.000 0.205 481 Q C 0.215 176.231 176.000 0.027 0.000 0.992 481 Q CA 1.492 57.318 55.803 0.038 0.000 0.849 481 Q CB -0.363 28.400 28.738 0.042 0.000 0.918 481 Q HN 0.730 nan 8.270 nan 0.000 0.421 482 E N 1.191 121.409 120.200 0.030 0.000 2.383 482 E HA 0.118 4.468 4.350 -0.000 0.000 0.264 482 E C -2.194 174.420 176.600 0.024 0.000 1.050 482 E CA -1.756 54.659 56.400 0.024 0.000 0.896 482 E CB -0.349 29.366 29.700 0.025 0.000 0.982 482 E HN 0.048 nan 8.360 nan 0.000 0.424 483 P HA -0.218 nan 4.420 nan 0.000 0.105 483 P C -0.751 176.563 177.300 0.022 0.000 0.856 483 P CA 0.746 63.856 63.100 0.018 0.000 1.007 483 P CB -0.217 31.494 31.700 0.018 0.000 1.630 484 K N 1.518 121.927 120.400 0.016 0.000 2.366 484 K HA 0.270 4.590 4.320 -0.000 0.000 0.272 484 K C 0.707 177.327 176.600 0.033 0.000 1.151 484 K CA 0.768 57.068 56.287 0.021 0.000 1.173 484 K CB -0.104 32.395 32.500 -0.002 0.000 0.853 484 K HN 0.459 nan 8.250 nan 0.000 0.473 485 A N 3.297 126.146 122.820 0.049 0.000 2.574 485 A HA 0.377 4.697 4.320 -0.000 0.000 0.297 485 A C -1.184 176.437 177.584 0.063 0.000 1.062 485 A CA -0.947 51.119 52.037 0.049 0.000 0.686 485 A CB 1.093 20.115 19.000 0.036 0.000 1.285 485 A HN 0.514 nan 8.150 nan 0.000 0.403 486 L N 2.796 124.054 121.223 0.058 0.000 2.534 486 L HA 0.337 4.677 4.340 -0.000 0.000 0.271 486 L C 0.419 177.315 176.870 0.043 0.000 1.178 486 L CA 0.820 55.691 54.840 0.053 0.000 0.907 486 L CB 0.859 42.940 42.059 0.036 0.000 1.164 486 L HN 0.523 nan 8.230 nan 0.000 0.482 487 V N 3.278 123.221 119.914 0.049 0.000 3.379 487 V HA 0.318 4.438 4.120 -0.000 0.000 0.249 487 V C 0.582 176.701 176.094 0.043 0.000 1.184 487 V CA 0.943 63.270 62.300 0.045 0.000 1.106 487 V CB 0.679 32.533 31.823 0.053 0.000 0.826 487 V HN 0.881 nan 8.190 nan 0.000 0.465 488 S N -0.507 115.222 115.700 0.048 0.000 2.543 488 S HA 0.495 4.965 4.470 -0.000 0.000 0.274 488 S C -1.512 173.124 174.600 0.059 0.000 1.149 488 S CA -0.563 57.669 58.200 0.053 0.000 0.866 488 S CB 1.889 65.130 63.200 0.069 0.000 1.111 488 S HN 0.400 nan 8.310 nan 0.000 0.457 489 E N 2.356 122.592 120.200 0.061 0.000 2.263 489 E HA 0.382 4.732 4.350 -0.000 0.000 0.268 489 E C -1.898 174.764 176.600 0.105 0.000 0.884 489 E CA -0.564 55.876 56.400 0.067 0.000 0.766 489 E CB 1.100 30.809 29.700 0.015 0.000 1.196 489 E HN 0.620 nan 8.360 nan 0.000 0.416 490 W N 4.809 126.080 121.300 -0.049 0.000 2.469 490 W HA 0.450 5.110 4.660 -0.000 0.000 0.320 490 W C -0.848 175.620 176.519 -0.086 0.000 1.086 490 W CA -0.302 57.005 57.345 -0.064 0.000 1.211 490 W CB 1.000 30.426 29.460 -0.057 0.000 1.298 490 W HN 0.356 nan 8.180 nan 0.000 0.525 491 K N 2.983 122.953 120.400 -0.717 0.000 2.443 491 K HA 0.155 4.475 4.320 -0.000 0.000 0.251 491 K C -0.711 174.968 176.600 -1.535 0.000 0.972 491 K CA -1.168 54.700 56.287 -0.698 0.000 0.833 491 K CB 1.843 34.113 32.500 -0.384 0.000 1.317 491 K HN 0.297 nan 8.250 nan 0.000 0.441 492 E N 2.878 122.529 120.200 -0.916 0.000 2.351 492 E HA 0.020 4.370 4.350 -0.000 0.000 0.266 492 E C -1.916 174.364 176.600 -0.532 0.000 1.031 492 E CA -1.553 54.392 56.400 -0.757 0.000 0.911 492 E CB 0.823 30.413 29.700 -0.184 0.000 0.986 492 E HN 0.229 nan 8.360 nan 0.000 0.446 493 P HA -0.201 nan 4.420 nan 0.000 0.218 493 P C 0.332 177.518 177.300 -0.190 0.000 1.154 493 P CA 1.534 64.447 63.100 -0.311 0.000 0.872 493 P CB 0.188 31.777 31.700 -0.185 0.000 0.790 494 Q N -1.564 118.162 119.800 -0.123 0.000 2.244 494 Q HA 0.388 4.728 4.340 -0.000 0.000 0.239 494 Q C 0.483 176.438 176.000 -0.074 0.000 0.890 494 Q CA 0.122 55.880 55.803 -0.075 0.000 0.964 494 Q CB -0.331 28.389 28.738 -0.031 0.000 1.076 494 Q HN 0.118 nan 8.270 nan 0.000 0.447 495 A N 0.403 123.154 122.820 -0.115 0.000 2.826 495 A HA -0.273 4.047 4.320 -0.000 0.000 0.274 495 A C -0.120 177.431 177.584 -0.054 0.000 1.443 495 A CA 1.167 53.147 52.037 -0.096 0.000 0.833 495 A CB -1.507 17.448 19.000 -0.074 0.000 1.023 495 A HN 0.383 nan 8.150 nan 0.000 0.600 496 K N 0.221 120.599 120.400 -0.036 0.000 2.090 496 K HA 0.397 4.717 4.320 -0.000 0.000 0.250 496 K C 0.254 176.877 176.600 0.039 0.000 1.004 496 K CA -0.877 55.418 56.287 0.014 0.000 0.919 496 K CB 0.439 32.967 32.500 0.048 0.000 1.045 496 K HN 0.417 nan 8.250 nan 0.000 0.471 497 N N 1.434 120.175 118.700 0.069 0.000 2.530 497 N HA 0.137 4.877 4.740 -0.000 0.000 0.273 497 N C -0.205 175.408 175.510 0.172 0.000 1.173 497 N CA -0.112 53.000 53.050 0.105 0.000 0.967 497 N CB 0.623 39.174 38.487 0.107 0.000 1.109 497 N HN 0.352 nan 8.380 nan 0.000 0.453 498 I N 1.340 122.041 120.570 0.218 0.000 2.618 498 I HA -0.105 4.065 4.170 -0.000 0.000 0.284 498 I C 1.631 177.979 176.117 0.384 0.000 1.146 498 I CA 0.259 61.739 61.300 0.301 0.000 1.425 498 I CB 0.708 38.898 38.000 0.316 0.000 1.383 498 I HN 0.593 nan 8.210 nan 0.000 0.562 499 S N 4.379 120.254 115.700 0.292 0.000 2.506 499 S HA 0.271 4.741 4.470 -0.000 0.000 0.219 499 S C 0.262 174.897 174.600 0.058 0.000 1.031 499 S CA -0.259 58.066 58.200 0.209 0.000 0.911 499 S CB 0.450 63.743 63.200 0.154 0.000 0.812 499 S HN 0.363 nan 8.310 nan 0.000 0.497 500 V N 1.130 121.110 119.914 0.110 0.000 2.932 500 V HA 0.848 4.968 4.120 -0.000 0.000 0.307 500 V C -0.355 175.814 176.094 0.125 0.000 1.147 500 V CA -0.509 61.813 62.300 0.037 0.000 0.951 500 V CB 1.453 33.326 31.823 0.083 0.000 1.031 500 V HN 0.564 nan 8.190 nan 0.000 0.426 501 A N 2.689 125.579 122.820 0.116 0.000 2.387 501 A HA 1.094 5.414 4.320 -0.000 0.000 0.298 501 A C -0.291 177.328 177.584 0.058 0.000 1.165 501 A CA -0.073 52.048 52.037 0.140 0.000 0.814 501 A CB 2.125 21.275 19.000 0.251 0.000 1.357 501 A HN 1.869 nan 8.150 nan 0.000 0.443 502 S N -1.689 113.995 115.700 -0.027 0.000 2.586 502 S HA 0.579 5.049 4.470 -0.000 0.000 0.277 502 S C -1.237 173.199 174.600 -0.274 0.000 1.131 502 S CA -0.271 57.843 58.200 -0.142 0.000 0.848 502 S CB 0.827 63.991 63.200 -0.060 0.000 1.091 502 S HN 2.287 nan 8.310 nan 0.000 0.453 503 C N 3.537 122.559 119.300 -0.463 0.000 3.146 503 C HA 0.659 5.119 4.460 -0.000 0.000 0.405 503 C C -0.694 174.063 174.990 -0.388 0.000 1.012 503 C CA -0.133 58.580 59.018 -0.509 0.000 1.217 503 C CB 0.518 27.694 27.740 -0.941 0.000 1.599 503 C HN 1.142 nan 8.230 nan 0.000 0.567 504 N N 2.032 120.636 118.700 -0.160 0.000 3.040 504 N HA 0.276 5.016 4.740 -0.000 0.000 0.339 504 N C 1.076 176.595 175.510 0.014 0.000 1.387 504 N CA 0.270 53.289 53.050 -0.051 0.000 0.745 504 N CB 0.435 38.902 38.487 -0.034 0.000 1.237 504 N HN 0.690 nan 8.380 nan 0.000 0.565 505 S N -0.677 115.041 115.700 0.029 0.000 2.406 505 S HA -0.091 4.379 4.470 -0.000 0.000 0.228 505 S C 1.421 176.020 174.600 -0.001 0.000 1.020 505 S CA 1.463 59.684 58.200 0.035 0.000 0.965 505 S CB -0.569 62.641 63.200 0.017 0.000 0.798 505 S HN 0.705 nan 8.310 nan 0.000 0.488 506 S N -0.968 114.720 115.700 -0.019 0.000 2.787 506 S HA 0.390 4.860 4.470 -0.000 0.000 0.255 506 S C -0.022 174.564 174.600 -0.023 0.000 1.051 506 S CA -0.743 57.429 58.200 -0.046 0.000 1.124 506 S CB 0.118 63.272 63.200 -0.077 0.000 1.104 506 S HN 0.517 nan 8.310 nan 0.000 0.623 507 Q N 0.766 120.575 119.800 0.016 0.000 2.394 507 Q HA 0.777 5.117 4.340 -0.000 0.000 0.273 507 Q C -1.614 174.416 176.000 0.049 0.000 1.089 507 Q CA -0.848 55.016 55.803 0.101 0.000 0.812 507 Q CB 2.874 31.708 28.738 0.161 0.000 1.353 507 Q HN 0.162 nan 8.270 nan 0.000 0.438 508 V N 1.516 121.484 119.914 0.091 0.000 2.735 508 V HA 0.546 4.666 4.120 -0.000 0.000 0.310 508 V C -0.970 175.182 176.094 0.097 0.000 1.061 508 V CA -0.743 61.565 62.300 0.013 0.000 0.913 508 V CB 2.201 33.987 31.823 -0.063 0.000 1.005 508 V HN 0.547 nan 8.190 nan 0.000 0.428 509 V N 4.998 124.938 119.914 0.044 0.000 2.439 509 V HA 0.383 4.503 4.120 -0.000 0.000 0.277 509 V C -0.116 176.028 176.094 0.082 0.000 1.008 509 V CA -0.520 61.848 62.300 0.112 0.000 0.846 509 V CB 1.584 33.478 31.823 0.117 0.000 1.031 509 V HN 0.742 nan 8.190 nan 0.000 0.441 510 V N 1.675 121.631 119.914 0.069 0.000 3.234 510 V HA 1.043 5.163 4.120 -0.000 0.000 0.317 510 V C 0.245 176.453 176.094 0.189 0.000 1.081 510 V CA -0.548 61.813 62.300 0.102 0.000 1.037 510 V CB 1.801 33.645 31.823 0.036 0.000 1.148 510 V HN 1.067 nan 8.190 nan 0.000 0.453 511 A N 1.124 124.071 122.820 0.212 0.000 2.437 511 A HA 0.753 5.073 4.320 -0.000 0.000 0.293 511 A C -1.121 176.606 177.584 0.239 0.000 1.038 511 A CA -0.481 51.680 52.037 0.206 0.000 0.708 511 A CB 1.793 20.877 19.000 0.140 0.000 1.251 511 A HN 1.240 nan 8.150 nan 0.000 0.409 512 V N 3.139 123.213 119.914 0.266 0.000 2.350 512 V HA 0.620 4.740 4.120 -0.000 0.000 0.285 512 V C 1.298 177.476 176.094 0.139 0.000 1.014 512 V CA 0.689 63.130 62.300 0.236 0.000 0.831 512 V CB 0.304 32.321 31.823 0.323 0.000 1.000 512 V HN 2.167 nan 8.190 nan 0.000 0.433 513 G N 5.829 114.683 108.800 0.089 0.000 3.434 513 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.343 513 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.343 513 G C 1.100 176.015 174.900 0.025 0.000 1.240 513 G CA 1.463 46.576 45.100 0.021 0.000 0.996 513 G HN 0.611 nan 8.290 nan 0.000 0.650 514 R N 1.075 121.583 120.500 0.013 0.000 2.225 514 R HA 0.601 4.941 4.340 -0.000 0.000 0.194 514 R C 1.589 177.865 176.300 -0.041 0.000 0.957 514 R CA 0.694 56.791 56.100 -0.006 0.000 1.042 514 R CB 0.192 30.472 30.300 -0.033 0.000 1.004 514 R HN 0.723 nan 8.270 nan 0.000 0.509 515 A N 1.131 123.931 122.820 -0.033 0.000 2.407 515 A HA 0.384 4.704 4.320 -0.000 0.000 0.248 515 A C -0.541 176.934 177.584 -0.182 0.000 1.082 515 A CA 0.126 52.076 52.037 -0.144 0.000 0.785 515 A CB 0.321 19.265 19.000 -0.094 0.000 1.020 515 A HN 0.183 nan 8.150 nan 0.000 0.489 516 L N 1.530 122.502 121.223 -0.418 0.000 2.409 516 L HA 0.469 4.809 4.340 -0.000 0.000 0.272 516 L C -1.599 175.034 176.870 -0.395 0.000 0.980 516 L CA -0.449 54.193 54.840 -0.331 0.000 0.826 516 L CB 1.828 43.573 42.059 -0.523 0.000 1.268 516 L HN 0.771 nan 8.230 nan 0.000 0.407 517 Y N 2.068 122.434 120.300 0.109 0.000 2.364 517 Y HA 0.360 4.910 4.550 -0.000 0.000 0.340 517 Y C -0.573 175.465 175.900 0.230 0.000 0.975 517 Y CA -0.788 57.414 58.100 0.170 0.000 1.089 517 Y CB 1.596 40.063 38.460 0.012 0.000 1.192 517 Y HN 0.335 nan 8.280 nan 0.000 0.454 518 Y N 4.938 125.428 120.300 0.316 0.000 2.369 518 Y HA 0.650 5.200 4.550 -0.000 0.000 0.337 518 Y C -1.438 174.475 175.900 0.022 0.000 0.961 518 Y CA -1.804 56.368 58.100 0.120 0.000 1.186 518 Y CB 0.157 38.607 38.460 -0.017 0.000 1.139 518 Y HN 0.558 nan 8.280 nan 0.000 0.494 519 L N 5.062 126.182 121.223 -0.171 0.000 2.332 519 L HA 0.619 4.959 4.340 -0.000 0.000 0.269 519 L C -0.422 176.245 176.870 -0.339 0.000 1.016 519 L CA -1.142 53.504 54.840 -0.324 0.000 0.809 519 L CB 1.730 43.587 42.059 -0.336 0.000 1.280 519 L HN 0.466 nan 8.230 nan 0.000 0.447 520 Q N 1.168 120.822 119.800 -0.243 0.000 2.375 520 Q HA 0.562 4.902 4.340 -0.000 0.000 0.271 520 Q C -1.303 174.623 176.000 -0.124 0.000 1.074 520 Q CA -0.719 54.978 55.803 -0.177 0.000 0.808 520 Q CB 3.297 31.956 28.738 -0.132 0.000 1.327 520 Q HN 0.482 nan 8.270 nan 0.000 0.441 521 I N 3.202 123.656 120.570 -0.194 0.000 2.304 521 I HA 0.269 4.439 4.170 -0.000 0.000 0.291 521 I C -0.115 175.869 176.117 -0.221 0.000 1.018 521 I CA -0.213 61.024 61.300 -0.106 0.000 1.260 521 I CB 0.279 38.275 38.000 -0.008 0.000 1.390 521 I HN 0.370 nan 8.210 nan 0.000 0.475 522 H N 5.713 124.848 119.070 0.109 0.000 2.834 522 H HA 0.416 4.972 4.556 -0.000 0.000 0.369 522 H C -2.488 172.740 175.328 -0.167 0.000 1.174 522 H CA -2.246 53.751 56.048 -0.085 0.000 1.165 522 H CB 1.889 31.586 29.762 -0.108 0.000 1.820 522 H HN 0.196 nan 8.280 nan 0.000 0.558 523 P HA -0.027 nan 4.420 nan 0.000 0.261 523 P C -0.156 177.136 177.300 -0.013 0.000 1.183 523 P CA 0.674 63.702 63.100 -0.121 0.000 0.761 523 P CB 0.326 31.927 31.700 -0.166 0.000 0.785 524 Q N -0.653 119.168 119.800 0.034 0.000 2.332 524 Q HA -0.267 4.073 4.340 -0.000 0.000 0.222 524 Q C -0.003 176.027 176.000 0.051 0.000 0.758 524 Q CA 1.673 57.501 55.803 0.040 0.000 1.355 524 Q CB -1.891 26.861 28.738 0.024 0.000 1.705 524 Q HN 0.599 nan 8.270 nan 0.000 0.638 525 E N -0.041 120.202 120.200 0.072 0.000 2.244 525 E HA 0.329 4.679 4.350 -0.000 0.000 0.260 525 E C -1.241 175.433 176.600 0.124 0.000 0.884 525 E CA -0.752 55.703 56.400 0.091 0.000 0.777 525 E CB 0.823 30.568 29.700 0.076 0.000 1.197 525 E HN 0.038 nan 8.360 nan 0.000 0.416 526 L N 5.146 126.437 121.223 0.113 0.000 2.512 526 L HA 0.261 4.601 4.340 -0.000 0.000 0.247 526 L C 0.217 177.164 176.870 0.129 0.000 1.204 526 L CA 0.028 54.935 54.840 0.111 0.000 1.153 526 L CB -0.161 41.979 42.059 0.135 0.000 1.415 526 L HN 0.352 nan 8.230 nan 0.000 0.406 527 R N 2.016 122.591 120.500 0.126 0.000 2.345 527 R HA 0.101 4.441 4.340 -0.000 0.000 0.331 527 R C 0.185 176.509 176.300 0.040 0.000 1.067 527 R CA -0.082 56.082 56.100 0.106 0.000 0.962 527 R CB 0.202 30.577 30.300 0.125 0.000 0.987 527 R HN 0.520 nan 8.270 nan 0.000 0.451 528 Q N 5.040 124.905 119.800 0.109 0.000 2.297 528 Q HA 0.049 4.389 4.340 -0.000 0.000 0.267 528 Q C 0.447 176.486 176.000 0.065 0.000 1.006 528 Q CA 0.116 55.981 55.803 0.104 0.000 0.896 528 Q CB 0.760 29.720 28.738 0.370 0.000 1.186 528 Q HN 0.901 nan 8.270 nan 0.000 0.392 529 I N 0.411 120.942 120.570 -0.065 0.000 4.240 529 I HA 0.402 4.572 4.170 -0.000 0.000 0.331 529 I C -0.521 175.609 176.117 0.022 0.000 1.381 529 I CA -0.260 60.998 61.300 -0.069 0.000 1.136 529 I CB 1.216 39.092 38.000 -0.206 0.000 1.137 529 I HN 0.355 nan 8.210 nan 0.000 0.411 530 S N 0.681 116.461 115.700 0.133 0.000 2.556 530 S HA 0.552 5.022 4.470 -0.000 0.000 0.280 530 S C -1.668 173.123 174.600 0.318 0.000 1.141 530 S CA -0.499 57.813 58.200 0.187 0.000 0.883 530 S CB 0.794 64.203 63.200 0.349 0.000 1.103 530 S HN 0.631 nan 8.310 nan 0.000 0.453 531 H N -0.015 119.202 119.070 0.244 0.000 3.096 531 H HA 0.771 5.327 4.556 -0.000 0.000 0.335 531 H C -0.582 174.667 175.328 -0.132 0.000 0.990 531 H CA -0.722 55.325 56.048 -0.002 0.000 1.393 531 H CB 0.995 30.787 29.762 0.049 0.000 1.742 531 H HN 0.446 nan 8.280 nan 0.000 0.501 532 T N 1.217 115.591 114.554 -0.300 0.000 2.742 532 T HA 0.570 4.920 4.350 -0.000 0.000 0.282 532 T C -0.779 173.729 174.700 -0.321 0.000 1.025 532 T CA -0.922 60.983 62.100 -0.326 0.000 1.020 532 T CB 2.344 70.878 68.868 -0.557 0.000 1.317 532 T HN 0.624 nan 8.240 nan 0.000 0.538 533 E N 0.044 120.103 120.200 -0.235 0.000 2.343 533 E HA 0.593 4.943 4.350 -0.000 0.000 0.270 533 E C -1.153 175.348 176.600 -0.165 0.000 0.895 533 E CA -0.721 55.569 56.400 -0.182 0.000 0.767 533 E CB 1.144 30.776 29.700 -0.113 0.000 1.248 533 E HN 0.355 nan 8.360 nan 0.000 0.440 534 M N 1.960 121.483 119.600 -0.129 0.000 2.598 534 M HA 0.327 4.807 4.480 -0.000 0.000 0.317 534 M C 0.946 177.195 176.300 -0.086 0.000 1.201 534 M CA -0.258 54.988 55.300 -0.090 0.000 0.971 534 M CB 1.094 33.666 32.600 -0.047 0.000 1.657 534 M HN 0.654 nan 8.290 nan 0.000 0.470 535 E N 0.401 120.552 120.200 -0.082 0.000 2.049 535 E HA -0.171 4.179 4.350 -0.000 0.000 0.198 535 E C 0.237 176.624 176.600 -0.355 0.000 1.007 535 E CA 1.462 57.759 56.400 -0.173 0.000 0.809 535 E CB 0.188 29.833 29.700 -0.093 0.000 0.749 535 E HN 0.458 nan 8.360 nan 0.000 0.450 536 H N -0.824 118.263 119.070 0.029 0.000 3.196 536 H HA 0.263 4.819 4.556 -0.000 0.000 0.303 536 H C -0.028 175.345 175.328 0.076 0.000 1.605 536 H CA -0.716 55.363 56.048 0.052 0.000 1.351 536 H CB 0.684 30.503 29.762 0.095 0.000 1.860 536 H HN -0.044 nan 8.280 nan 0.000 0.697 537 E N 1.057 121.424 120.200 0.278 0.000 2.418 537 E HA 0.100 4.450 4.350 -0.000 0.000 0.261 537 E C -0.375 176.458 176.600 0.387 0.000 1.070 537 E CA -0.126 56.405 56.400 0.218 0.000 0.931 537 E CB 1.111 30.785 29.700 -0.044 0.000 0.954 537 E HN 0.113 nan 8.360 nan 0.000 0.439 538 V N 2.545 122.656 119.914 0.328 0.000 2.432 538 V HA 0.088 4.207 4.120 -0.000 0.000 0.271 538 V C 0.983 177.329 176.094 0.420 0.000 1.046 538 V CA 0.342 62.815 62.300 0.289 0.000 0.945 538 V CB 0.842 32.769 31.823 0.172 0.000 0.992 538 V HN 0.840 nan 8.190 nan 0.000 0.471 539 A N 4.402 127.341 122.820 0.198 0.000 1.878 539 A HA 0.198 4.518 4.320 -0.000 0.000 0.213 539 A C 0.982 178.529 177.584 -0.060 0.000 1.192 539 A CA 1.251 53.215 52.037 -0.123 0.000 0.619 539 A CB -0.039 18.772 19.000 -0.314 0.000 0.837 539 A HN 1.032 nan 8.150 nan 0.000 0.446 540 C N -3.494 115.807 119.300 0.002 0.000 3.312 540 C HA 0.780 5.239 4.460 -0.000 0.000 0.332 540 C C -1.039 173.977 174.990 0.043 0.000 1.340 540 C CA -1.338 57.690 59.018 0.017 0.000 1.265 540 C CB 0.451 28.190 27.740 -0.001 0.000 1.563 540 C HN 0.379 nan 8.230 nan 0.000 0.471 541 L N 0.790 122.041 121.223 0.046 0.000 2.376 541 L HA 0.834 5.174 4.340 -0.000 0.000 0.258 541 L C -1.285 175.606 176.870 0.036 0.000 1.013 541 L CA 0.012 54.880 54.840 0.047 0.000 0.822 541 L CB 2.231 44.322 42.059 0.053 0.000 1.388 541 L HN 0.972 nan 8.230 nan 0.000 0.413 542 D N 0.675 121.089 120.400 0.023 0.000 2.837 542 D HA 0.518 5.158 4.640 -0.000 0.000 0.220 542 D C -0.723 175.563 176.300 -0.023 0.000 1.236 542 D CA -0.427 53.577 54.000 0.006 0.000 0.838 542 D CB 1.718 42.535 40.800 0.027 0.000 1.647 542 D HN 0.457 nan 8.370 nan 0.000 0.486 543 I N 0.108 120.648 120.570 -0.049 0.000 3.241 543 I HA 0.339 4.509 4.170 -0.000 0.000 0.333 543 I C -0.292 175.784 176.117 -0.069 0.000 1.534 543 I CA -0.601 60.652 61.300 -0.078 0.000 0.979 543 I CB 0.930 38.864 38.000 -0.110 0.000 1.497 543 I HN 0.084 nan 8.210 nan 0.000 0.530 544 T N 4.575 119.103 114.554 -0.042 0.000 2.829 544 T HA 0.186 4.536 4.350 -0.000 0.000 0.293 544 T C -2.303 172.373 174.700 -0.039 0.000 0.970 544 T CA -0.346 61.737 62.100 -0.028 0.000 1.168 544 T CB 0.136 69.001 68.868 -0.006 0.000 0.911 544 T HN 0.184 nan 8.240 nan 0.000 0.535 545 P HA 0.254 nan 4.420 nan 0.000 0.271 545 P C -0.884 176.395 177.300 -0.035 0.000 1.216 545 P CA -0.554 62.520 63.100 -0.043 0.000 0.771 545 P CB 0.439 32.122 31.700 -0.028 0.000 0.864 546 L N 3.324 124.508 121.223 -0.065 0.000 2.313 546 L HA 0.544 4.884 4.340 -0.000 0.000 0.283 546 L C 1.299 178.142 176.870 -0.045 0.000 1.013 546 L CA 0.668 55.471 54.840 -0.062 0.000 0.816 546 L CB 0.468 42.419 42.059 -0.180 0.000 1.236 546 L HN 0.751 nan 8.230 nan 0.000 0.419 547 G N 3.210 112.054 108.800 0.072 0.000 2.634 547 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.318 547 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.318 547 G C 0.547 175.471 174.900 0.041 0.000 1.207 547 G CA 0.469 45.633 45.100 0.107 0.000 0.987 547 G HN 0.591 nan 8.290 nan 0.000 0.547 548 D N 1.556 121.974 120.400 0.030 0.000 2.358 548 D HA 0.272 4.912 4.640 -0.000 0.000 0.241 548 D C 1.060 177.356 176.300 -0.006 0.000 1.094 548 D CA 0.951 54.959 54.000 0.013 0.000 0.907 548 D CB -0.017 40.792 40.800 0.014 0.000 0.893 548 D HN 0.335 nan 8.370 nan 0.000 0.528 549 S N 0.434 116.124 115.700 -0.017 0.000 2.505 549 S HA 0.084 4.554 4.470 -0.000 0.000 0.276 549 S C 0.719 175.311 174.600 -0.014 0.000 1.274 549 S CA -0.552 57.632 58.200 -0.027 0.000 1.053 549 S CB 0.238 63.410 63.200 -0.046 0.000 0.919 549 S HN 0.119 nan 8.310 nan 0.000 0.490 550 N N 3.612 122.305 118.700 -0.011 0.000 3.115 550 N HA 0.058 4.798 4.740 -0.000 0.000 0.305 550 N C 1.160 176.664 175.510 -0.010 0.000 1.305 550 N CA 0.300 53.346 53.050 -0.006 0.000 1.154 550 N CB -0.183 38.304 38.487 -0.001 0.000 1.454 550 N HN 0.974 nan 8.380 nan 0.000 0.551 551 G N 0.750 109.544 108.800 -0.011 0.000 2.180 551 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.263 551 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.263 551 G C -0.043 174.845 174.900 -0.019 0.000 0.989 551 G CA 0.210 45.302 45.100 -0.013 0.000 0.692 551 G HN 0.421 nan 8.290 nan 0.000 0.526 552 L N 1.367 122.577 121.223 -0.022 0.000 2.353 552 L HA 0.717 5.057 4.340 -0.000 0.000 0.270 552 L C 0.390 177.231 176.870 -0.048 0.000 1.003 552 L CA -0.332 54.495 54.840 -0.022 0.000 0.862 552 L CB 1.696 43.753 42.059 -0.003 0.000 1.221 552 L HN 0.164 nan 8.230 nan 0.000 0.430 553 S N 5.462 121.117 115.700 -0.075 0.000 2.499 553 S HA 0.424 4.894 4.470 -0.000 0.000 0.275 553 S C -1.685 172.831 174.600 -0.142 0.000 1.257 553 S CA -1.073 57.064 58.200 -0.106 0.000 1.050 553 S CB 0.963 64.093 63.200 -0.116 0.000 0.937 553 S HN 0.546 nan 8.310 nan 0.000 0.490 554 P HA 0.153 nan 4.420 nan 0.000 0.229 554 P C -0.564 176.638 177.300 -0.165 0.000 1.160 554 P CA 0.409 63.429 63.100 -0.134 0.000 0.777 554 P CB 0.185 31.822 31.700 -0.104 0.000 0.814 555 L N -1.528 119.597 121.223 -0.164 0.000 2.279 555 L HA 0.532 4.872 4.340 -0.000 0.000 0.262 555 L C -0.496 176.272 176.870 -0.169 0.000 1.019 555 L CA -1.045 53.703 54.840 -0.154 0.000 0.823 555 L CB 1.793 43.783 42.059 -0.115 0.000 1.358 555 L HN -0.159 nan 8.230 nan 0.000 0.432 556 C N 1.241 120.460 119.300 -0.135 0.000 2.516 556 C HA 0.899 5.359 4.460 -0.000 0.000 0.338 556 C C -0.356 174.617 174.990 -0.028 0.000 1.132 556 C CA -0.565 58.392 59.018 -0.101 0.000 1.310 556 C CB 0.145 27.805 27.740 -0.134 0.000 1.898 556 C HN 0.968 nan 8.230 nan 0.000 0.452 557 A N 6.021 128.834 122.820 -0.011 0.000 2.301 557 A HA 0.854 5.173 4.320 -0.000 0.000 0.312 557 A C -0.705 176.901 177.584 0.036 0.000 1.182 557 A CA -0.483 51.563 52.037 0.015 0.000 0.826 557 A CB 0.617 19.631 19.000 0.024 0.000 1.134 557 A HN 1.446 nan 8.150 nan 0.000 0.501 558 I N 1.255 121.851 120.570 0.043 0.000 2.775 558 I HA 0.657 4.827 4.170 -0.000 0.000 0.295 558 I C -0.041 176.102 176.117 0.043 0.000 1.287 558 I CA -0.500 60.831 61.300 0.051 0.000 1.029 558 I CB 2.114 40.154 38.000 0.066 0.000 1.282 558 I HN 0.757 nan 8.210 nan 0.000 0.426 559 G N 7.056 115.880 108.800 0.039 0.000 2.388 559 G HA2 0.660 4.620 3.960 -0.000 0.000 0.330 559 G HA3 0.660 4.620 3.960 -0.000 0.000 0.330 559 G C -1.328 173.594 174.900 0.037 0.000 1.142 559 G CA -0.592 44.522 45.100 0.023 0.000 0.908 559 G HN 0.542 nan 8.290 nan 0.000 0.473 560 L N 1.087 122.337 121.223 0.045 0.000 2.330 560 L HA 0.391 4.730 4.340 -0.000 0.000 0.271 560 L C 0.800 177.742 176.870 0.120 0.000 1.013 560 L CA -1.160 53.750 54.840 0.117 0.000 0.816 560 L CB 2.415 44.553 42.059 0.131 0.000 1.287 560 L HN 0.673 nan 8.230 nan 0.000 0.435 561 W N 1.150 122.473 121.300 0.037 0.000 2.474 561 W HA -0.096 4.564 4.660 -0.000 0.000 0.319 561 W C 1.800 178.273 176.519 -0.078 0.000 1.165 561 W CA 1.744 59.090 57.345 0.001 0.000 1.356 561 W CB -0.001 29.474 29.460 0.025 0.000 1.172 561 W HN 0.550 nan 8.180 nan 0.000 0.478 562 T N 0.297 114.911 114.554 0.099 0.000 2.976 562 T HA -0.160 4.190 4.350 -0.000 0.000 0.257 562 T C 0.969 175.518 174.700 -0.252 0.000 1.051 562 T CA 1.584 63.566 62.100 -0.197 0.000 1.141 562 T CB -0.451 68.087 68.868 -0.549 0.000 0.881 562 T HN 0.179 nan 8.240 nan 0.000 0.461 563 D N 1.553 121.811 120.400 -0.237 0.000 2.317 563 D HA 0.001 4.641 4.640 -0.000 0.000 0.211 563 D C 0.457 176.743 176.300 -0.024 0.000 0.966 563 D CA -0.064 53.900 54.000 -0.059 0.000 0.876 563 D CB -0.954 39.902 40.800 0.093 0.000 0.927 563 D HN 0.431 nan 8.370 nan 0.000 0.519 564 I N 0.621 121.178 120.570 -0.020 0.000 7.474 564 I HA -0.248 3.922 4.170 -0.000 0.000 0.126 564 I C -0.663 175.434 176.117 -0.033 0.000 1.805 564 I CA 0.619 61.901 61.300 -0.030 0.000 2.128 564 I CB -1.797 36.182 38.000 -0.035 0.000 3.592 564 I HN 0.348 nan 8.210 nan 0.000 0.196 565 S N 2.497 118.187 115.700 -0.018 0.000 2.549 565 S HA 0.935 5.405 4.470 -0.000 0.000 0.280 565 S C -0.416 174.172 174.600 -0.019 0.000 1.109 565 S CA -0.291 57.891 58.200 -0.030 0.000 0.905 565 S CB 2.561 65.752 63.200 -0.016 0.000 1.081 565 S HN 0.973 nan 8.310 nan 0.000 0.477 566 A N 2.906 125.703 122.820 -0.037 0.000 2.293 566 A HA 0.730 5.050 4.320 -0.000 0.000 0.312 566 A C 0.108 177.669 177.584 -0.039 0.000 1.309 566 A CA -1.005 51.022 52.037 -0.016 0.000 0.839 566 A CB 0.376 19.387 19.000 0.019 0.000 1.155 566 A HN 0.899 nan 8.150 nan 0.000 0.501 567 R N 2.332 122.828 120.500 -0.006 0.000 2.711 567 R HA 0.737 5.077 4.340 -0.000 0.000 0.284 567 R C -1.101 175.207 176.300 0.013 0.000 0.968 567 R CA -0.845 55.258 56.100 0.005 0.000 0.924 567 R CB 1.220 31.526 30.300 0.011 0.000 1.162 567 R HN 0.340 nan 8.270 nan 0.000 0.465 568 I N 3.912 124.492 120.570 0.016 0.000 2.331 568 I HA 0.294 4.464 4.170 -0.000 0.000 0.292 568 I C 0.032 176.159 176.117 0.018 0.000 0.998 568 I CA -0.896 60.405 61.300 0.002 0.000 1.267 568 I CB 0.971 38.953 38.000 -0.030 0.000 1.386 568 I HN 0.546 nan 8.210 nan 0.000 0.476 569 L N 5.183 126.416 121.223 0.016 0.000 2.329 569 L HA 0.434 4.774 4.340 -0.000 0.000 0.279 569 L C 0.210 177.051 176.870 -0.049 0.000 1.014 569 L CA -1.179 53.679 54.840 0.030 0.000 0.814 569 L CB 1.411 43.555 42.059 0.142 0.000 1.257 569 L HN 0.424 nan 8.230 nan 0.000 0.424 570 K N 2.178 122.544 120.400 -0.056 0.000 2.436 570 K HA 0.082 4.402 4.320 -0.000 0.000 0.282 570 K C 0.659 177.123 176.600 -0.227 0.000 1.044 570 K CA 0.197 56.417 56.287 -0.112 0.000 1.028 570 K CB 0.455 32.911 32.500 -0.074 0.000 0.919 570 K HN 0.589 nan 8.250 nan 0.000 0.474 571 L N 6.499 127.535 121.223 -0.312 0.000 1.961 571 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 571 L C -0.873 175.628 176.870 -0.615 0.000 1.072 571 L CA 1.395 55.893 54.840 -0.571 0.000 0.749 571 L CB -0.943 40.768 42.059 -0.581 0.000 0.889 571 L HN 0.682 nan 8.230 nan 0.000 0.432 572 P HA -0.229 nan 4.420 nan 0.000 0.222 572 P C 1.549 178.759 177.300 -0.150 0.000 1.159 572 P CA 2.707 65.714 63.100 -0.155 0.000 0.920 572 P CB -0.056 31.601 31.700 -0.073 0.000 0.793 573 S N -4.179 111.427 115.700 -0.156 0.000 2.497 573 S HA 0.173 4.643 4.470 -0.000 0.000 0.218 573 S C 0.900 175.533 174.600 0.055 0.000 1.023 573 S CA -0.077 58.096 58.200 -0.045 0.000 0.913 573 S CB -0.746 62.449 63.200 -0.008 0.000 0.800 573 S HN 0.133 nan 8.310 nan 0.000 0.505 574 F N 0.584 120.504 119.950 -0.049 0.000 2.628 574 F HA -0.150 4.377 4.527 -0.000 0.000 0.319 574 F C 0.320 176.093 175.800 -0.044 0.000 0.645 574 F CA 0.271 58.239 58.000 -0.053 0.000 1.499 574 F CB -1.626 37.348 39.000 -0.044 0.000 1.900 574 F HN 0.251 nan 8.300 nan 0.000 0.308 575 E N 2.244 122.495 120.200 0.085 0.000 2.463 575 E HA 0.133 4.483 4.350 -0.000 0.000 0.248 575 E C 0.122 176.745 176.600 0.038 0.000 1.106 575 E CA -0.207 56.221 56.400 0.046 0.000 0.946 575 E CB 0.285 29.991 29.700 0.010 0.000 0.971 575 E HN 0.250 nan 8.360 nan 0.000 0.478 576 L N 6.441 127.689 121.223 0.041 0.000 2.774 576 L HA -0.018 4.322 4.340 -0.000 0.000 0.279 576 L C 0.036 176.916 176.870 0.017 0.000 1.137 576 L CA 0.852 55.709 54.840 0.030 0.000 1.021 576 L CB -0.173 41.895 42.059 0.016 0.000 1.366 576 L HN 0.800 nan 8.230 nan 0.000 0.471 577 L N 4.006 125.244 121.223 0.024 0.000 2.554 577 L HA 0.131 4.471 4.340 -0.000 0.000 0.226 577 L C -0.033 176.892 176.870 0.092 0.000 1.137 577 L CA 0.094 54.954 54.840 0.033 0.000 0.863 577 L CB -0.438 41.629 42.059 0.014 0.000 0.985 577 L HN 0.808 nan 8.230 nan 0.000 0.451 578 H N -0.606 118.432 119.070 -0.054 0.000 3.091 578 H HA 0.159 4.715 4.556 -0.000 0.000 0.298 578 H C -0.865 174.410 175.328 -0.088 0.000 1.313 578 H CA -0.711 55.291 56.048 -0.076 0.000 1.638 578 H CB 0.751 30.455 29.762 -0.097 0.000 2.329 578 H HN -0.043 nan 8.280 nan 0.000 0.409 579 K N 3.546 123.820 120.400 -0.211 0.000 2.118 579 K HA 0.503 4.823 4.320 -0.000 0.000 0.254 579 K C -0.895 175.597 176.600 -0.180 0.000 0.961 579 K CA -0.624 55.585 56.287 -0.131 0.000 0.876 579 K CB 1.377 33.808 32.500 -0.115 0.000 1.077 579 K HN 0.460 nan 8.250 nan 0.000 0.440 580 E N 3.713 123.849 120.200 -0.108 0.000 2.317 580 E HA 0.183 4.533 4.350 -0.000 0.000 0.270 580 E C -0.979 175.546 176.600 -0.125 0.000 0.899 580 E CA -0.646 55.670 56.400 -0.140 0.000 0.814 580 E CB 1.479 31.029 29.700 -0.250 0.000 1.296 580 E HN 0.637 nan 8.360 nan 0.000 0.404 581 M N 4.075 123.610 119.600 -0.108 0.000 2.200 581 M HA 0.225 4.705 4.480 -0.000 0.000 0.355 581 M C 1.159 177.368 176.300 -0.151 0.000 1.283 581 M CA 0.143 55.385 55.300 -0.097 0.000 1.124 581 M CB 0.537 33.097 32.600 -0.067 0.000 1.625 581 M HN 0.564 nan 8.290 nan 0.000 0.463 582 L N 1.350 122.464 121.223 -0.181 0.000 2.546 582 L HA 0.494 4.834 4.340 -0.000 0.000 0.185 582 L C 1.218 177.955 176.870 -0.220 0.000 1.247 582 L CA 0.292 54.911 54.840 -0.368 0.000 0.848 582 L CB -0.098 41.763 42.059 -0.331 0.000 1.133 582 L HN 0.804 nan 8.230 nan 0.000 0.504 583 G N -1.515 107.250 108.800 -0.059 0.000 2.749 583 G HA2 0.525 4.485 3.960 -0.000 0.000 0.300 583 G HA3 0.525 4.485 3.960 -0.000 0.000 0.300 583 G C -1.428 173.485 174.900 0.021 0.000 1.352 583 G CA -0.051 45.074 45.100 0.042 0.000 0.789 583 G HN 0.255 nan 8.290 nan 0.000 0.509 584 G N -1.839 106.981 108.800 0.033 0.000 2.412 584 G HA2 0.531 4.491 3.960 -0.000 0.000 0.318 584 G HA3 0.531 4.491 3.960 -0.000 0.000 0.318 584 G C 0.315 175.226 174.900 0.018 0.000 1.146 584 G CA 0.738 45.849 45.100 0.018 0.000 0.882 584 G HN 0.899 nan 8.290 nan 0.000 0.501 585 E N -0.996 119.210 120.200 0.010 0.000 4.665 585 E HA -0.309 4.041 4.350 -0.000 0.000 0.181 585 E C 0.456 177.062 176.600 0.010 0.000 1.307 585 E CA 1.929 58.337 56.400 0.014 0.000 2.299 585 E CB -1.135 28.576 29.700 0.018 0.000 1.862 585 E HN 0.511 nan 8.360 nan 0.000 0.373 586 I N 2.323 122.898 120.570 0.008 0.000 2.517 586 I HA 0.058 4.228 4.170 -0.000 0.000 0.285 586 I C 0.204 176.294 176.117 -0.046 0.000 1.106 586 I CA 0.233 61.529 61.300 -0.007 0.000 1.402 586 I CB 0.167 38.172 38.000 0.009 0.000 1.399 586 I HN 0.074 nan 8.210 nan 0.000 0.535 587 I N 9.189 129.694 120.570 -0.109 0.000 2.533 587 I HA 0.169 4.339 4.170 -0.000 0.000 0.284 587 I C -2.004 173.977 176.117 -0.226 0.000 1.109 587 I CA -1.501 59.643 61.300 -0.260 0.000 1.412 587 I CB -0.559 37.131 38.000 -0.516 0.000 1.396 587 I HN 0.371 nan 8.210 nan 0.000 0.543 588 P HA 0.094 nan 4.420 nan 0.000 0.265 588 P C 0.327 177.526 177.300 -0.168 0.000 1.193 588 P CA -0.129 62.903 63.100 -0.112 0.000 0.765 588 P CB 0.685 32.344 31.700 -0.069 0.000 0.823 589 R N 0.514 120.962 120.500 -0.087 0.000 2.369 589 R HA 0.244 4.584 4.340 -0.000 0.000 0.210 589 R C 0.042 176.326 176.300 -0.027 0.000 0.881 589 R CA 0.427 56.475 56.100 -0.087 0.000 1.031 589 R CB 0.666 30.925 30.300 -0.068 0.000 1.184 589 R HN 0.436 nan 8.270 nan 0.000 0.581 590 S N 0.201 115.909 115.700 0.013 0.000 2.566 590 S HA 0.520 4.989 4.470 -0.000 0.000 0.273 590 S C -1.556 173.090 174.600 0.078 0.000 1.157 590 S CA -0.597 57.632 58.200 0.049 0.000 0.938 590 S CB 1.344 64.582 63.200 0.063 0.000 1.087 590 S HN 0.198 nan 8.310 nan 0.000 0.474 591 I N 5.812 126.431 120.570 0.082 0.000 2.582 591 I HA 0.772 4.942 4.170 -0.000 0.000 0.292 591 I C -1.644 174.533 176.117 0.100 0.000 1.066 591 I CA -1.076 60.287 61.300 0.104 0.000 1.053 591 I CB 1.477 39.531 38.000 0.089 0.000 1.241 591 I HN 0.785 nan 8.210 nan 0.000 0.421 592 L N 6.353 127.647 121.223 0.119 0.000 2.505 592 L HA 0.613 4.953 4.340 -0.000 0.000 0.259 592 L C -1.725 175.206 176.870 0.102 0.000 0.952 592 L CA -0.721 54.176 54.840 0.095 0.000 0.840 592 L CB 2.228 44.340 42.059 0.088 0.000 1.358 592 L HN 0.611 nan 8.230 nan 0.000 0.409 593 M N 2.925 122.565 119.600 0.068 0.000 2.274 593 M HA 0.620 5.100 4.480 -0.000 0.000 0.344 593 M C -0.070 176.244 176.300 0.022 0.000 1.161 593 M CA -0.171 55.168 55.300 0.065 0.000 1.126 593 M CB 1.627 34.246 32.600 0.030 0.000 1.522 593 M HN 0.802 nan 8.290 nan 0.000 0.461 594 T N 0.196 114.758 114.554 0.013 0.000 2.827 594 T HA 0.342 4.692 4.350 -0.000 0.000 0.328 594 T C -1.458 173.172 174.700 -0.116 0.000 1.598 594 T CA -0.685 61.341 62.100 -0.123 0.000 1.043 594 T CB 1.643 70.316 68.868 -0.324 0.000 1.447 594 T HN 0.679 nan 8.240 nan 0.000 0.491 595 T N 3.327 117.780 114.554 -0.169 0.000 2.756 595 T HA 0.584 4.934 4.350 -0.000 0.000 0.290 595 T C -0.823 173.737 174.700 -0.233 0.000 0.985 595 T CA -0.198 61.858 62.100 -0.074 0.000 0.955 595 T CB -0.139 68.758 68.868 0.048 0.000 0.930 595 T HN 0.381 nan 8.240 nan 0.000 0.451 596 F N 1.945 121.967 119.950 0.120 0.000 2.388 596 F HA 0.334 4.861 4.527 -0.000 0.000 0.358 596 F C 1.132 176.982 175.800 0.084 0.000 1.122 596 F CA -0.920 57.115 58.000 0.058 0.000 1.056 596 F CB 1.075 40.057 39.000 -0.029 0.000 1.155 596 F HN 0.664 nan 8.300 nan 0.000 0.461 597 E N 2.873 123.213 120.200 0.233 0.000 2.228 597 E HA -0.322 4.028 4.350 -0.000 0.000 0.213 597 E C 0.568 177.254 176.600 0.143 0.000 1.282 597 E CA 0.609 57.105 56.400 0.160 0.000 0.707 597 E CB -0.761 29.028 29.700 0.148 0.000 1.150 597 E HN 0.945 nan 8.360 nan 0.000 0.362 598 S N -3.169 112.556 115.700 0.043 0.000 3.257 598 S HA -0.295 4.175 4.470 -0.000 0.000 0.300 598 S C 0.163 174.606 174.600 -0.262 0.000 1.275 598 S CA 1.225 59.378 58.200 -0.079 0.000 1.023 598 S CB -1.799 61.395 63.200 -0.010 0.000 1.180 598 S HN 0.467 nan 8.310 nan 0.000 0.660 599 S N 2.156 117.757 115.700 -0.164 0.000 2.509 599 S HA 0.632 5.102 4.470 -0.000 0.000 0.297 599 S C -0.280 174.165 174.600 -0.260 0.000 1.118 599 S CA -0.811 57.245 58.200 -0.239 0.000 1.074 599 S CB 0.697 63.896 63.200 -0.002 0.000 1.038 599 S HN 0.457 nan 8.310 nan 0.000 0.498 600 H N 1.356 120.411 119.070 -0.026 0.000 2.457 600 H HA 0.466 5.022 4.556 -0.000 0.000 0.335 600 H C -1.190 174.084 175.328 -0.090 0.000 1.115 600 H CA -0.134 55.914 56.048 0.001 0.000 1.219 600 H CB 0.792 30.538 29.762 -0.027 0.000 1.471 600 H HN 0.565 nan 8.280 nan 0.000 0.491 601 Y N 0.918 121.315 120.300 0.163 0.000 2.602 601 Y HA 0.271 4.821 4.550 -0.000 0.000 0.342 601 Y C -0.247 175.759 175.900 0.176 0.000 1.029 601 Y CA -1.001 57.216 58.100 0.195 0.000 1.080 601 Y CB 2.215 40.820 38.460 0.242 0.000 1.284 601 Y HN 0.352 nan 8.280 nan 0.000 0.485 602 L N 4.748 126.237 121.223 0.445 0.000 2.377 602 L HA 0.520 4.860 4.340 -0.000 0.000 0.270 602 L C -1.663 175.494 176.870 0.479 0.000 0.991 602 L CA -0.405 54.664 54.840 0.381 0.000 0.851 602 L CB 0.406 42.657 42.059 0.320 0.000 1.218 602 L HN 0.609 nan 8.230 nan 0.000 0.420 603 L N 4.339 125.773 121.223 0.352 0.000 2.379 603 L HA 0.606 4.946 4.340 -0.000 0.000 0.269 603 L C -0.211 176.840 176.870 0.301 0.000 1.084 603 L CA -0.590 54.449 54.840 0.332 0.000 0.802 603 L CB 1.852 44.053 42.059 0.238 0.000 1.175 603 L HN 0.652 nan 8.230 nan 0.000 0.448 604 C N 2.288 121.775 119.300 0.311 0.000 2.817 604 C HA 0.753 5.213 4.460 -0.000 0.000 0.385 604 C C -0.254 174.895 174.990 0.265 0.000 1.050 604 C CA -0.353 58.835 59.018 0.284 0.000 1.245 604 C CB 0.371 28.324 27.740 0.355 0.000 1.706 604 C HN 0.946 nan 8.230 nan 0.000 0.488 605 A N 6.250 129.173 122.820 0.171 0.000 2.337 605 A HA 0.920 5.240 4.320 -0.000 0.000 0.329 605 A C -0.946 176.689 177.584 0.084 0.000 1.146 605 A CA -0.472 51.636 52.037 0.119 0.000 0.800 605 A CB 0.811 19.855 19.000 0.073 0.000 1.220 605 A HN 0.910 nan 8.150 nan 0.000 0.472 606 L N 1.101 122.366 121.223 0.070 0.000 2.331 606 L HA 0.582 4.922 4.340 -0.000 0.000 0.268 606 L C 1.665 178.532 176.870 -0.006 0.000 1.015 606 L CA -0.620 54.243 54.840 0.037 0.000 0.807 606 L CB 1.258 43.367 42.059 0.083 0.000 1.293 606 L HN 0.823 nan 8.230 nan 0.000 0.451 607 G N -0.527 108.256 108.800 -0.029 0.000 2.625 607 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.214 607 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.214 607 G C 0.701 175.587 174.900 -0.022 0.000 1.132 607 G CA 0.609 45.688 45.100 -0.035 0.000 0.782 607 G HN 0.843 nan 8.290 nan 0.000 0.538 608 D N -1.017 119.373 120.400 -0.016 0.000 2.369 608 D HA 0.173 4.813 4.640 -0.000 0.000 0.211 608 D C 1.500 177.780 176.300 -0.034 0.000 1.077 608 D CA 0.372 54.360 54.000 -0.020 0.000 0.842 608 D CB -0.376 40.416 40.800 -0.013 0.000 0.947 608 D HN 0.373 nan 8.370 nan 0.000 0.509 609 G N 0.143 108.921 108.800 -0.036 0.000 2.149 609 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.235 609 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.235 609 G C 0.253 175.105 174.900 -0.079 0.000 1.018 609 G CA -0.012 45.058 45.100 -0.050 0.000 0.728 609 G HN 0.790 nan 8.290 nan 0.000 0.508 610 A N -0.252 122.517 122.820 -0.085 0.000 2.260 610 A HA 0.811 5.131 4.320 -0.000 0.000 0.308 610 A C -0.150 177.323 177.584 -0.186 0.000 1.254 610 A CA -0.425 51.506 52.037 -0.177 0.000 0.874 610 A CB 1.248 20.131 19.000 -0.196 0.000 1.153 610 A HN 1.512 nan 8.150 nan 0.000 0.527 611 L N 3.354 124.433 121.223 -0.239 0.000 2.296 611 L HA 0.778 5.118 4.340 -0.000 0.000 0.286 611 L C -1.261 175.468 176.870 -0.235 0.000 1.023 611 L CA -0.198 54.578 54.840 -0.107 0.000 0.812 611 L CB 0.500 42.568 42.059 0.015 0.000 1.223 611 L HN 0.577 nan 8.230 nan 0.000 0.421 612 F N 4.761 124.719 119.950 0.012 0.000 2.440 612 F HA 0.679 5.206 4.527 -0.000 0.000 0.328 612 F C -0.521 175.199 175.800 -0.133 0.000 1.070 612 F CA -0.126 57.764 58.000 -0.183 0.000 1.011 612 F CB 1.417 40.287 39.000 -0.216 0.000 1.226 612 F HN 0.507 nan 8.300 nan 0.000 0.491 613 Y N -0.686 119.395 120.300 -0.365 0.000 2.558 613 Y HA 0.739 5.289 4.550 -0.000 0.000 0.333 613 Y C -2.159 173.449 175.900 -0.486 0.000 1.125 613 Y CA -2.274 55.651 58.100 -0.291 0.000 1.039 613 Y CB 0.889 39.388 38.460 0.065 0.000 1.331 613 Y HN 0.390 nan 8.280 nan 0.000 0.456 614 F N 0.473 120.662 119.950 0.398 0.000 2.603 614 F HA 0.793 5.320 4.527 -0.000 0.000 0.317 614 F C 0.543 176.435 175.800 0.152 0.000 1.066 614 F CA -1.645 56.478 58.000 0.205 0.000 0.941 614 F CB 2.186 41.231 39.000 0.075 0.000 1.291 614 F HN 0.871 nan 8.300 nan 0.000 0.472 615 G N 1.831 110.719 108.800 0.147 0.000 2.448 615 G HA2 0.448 4.408 3.960 -0.000 0.000 0.309 615 G HA3 0.448 4.408 3.960 -0.000 0.000 0.309 615 G C -1.245 173.619 174.900 -0.060 0.000 1.027 615 G CA -0.270 44.736 45.100 -0.155 0.000 1.104 615 G HN 0.534 nan 8.290 nan 0.000 0.428 616 L N 2.769 123.967 121.223 -0.041 0.000 2.290 616 L HA 0.378 4.718 4.340 -0.000 0.000 0.284 616 L C 0.099 176.948 176.870 -0.034 0.000 1.078 616 L CA -0.833 53.985 54.840 -0.037 0.000 0.815 616 L CB 1.071 43.134 42.059 0.008 0.000 1.162 616 L HN 0.425 nan 8.230 nan 0.000 0.435 617 N N 4.743 123.404 118.700 -0.065 0.000 2.430 617 N HA 0.113 4.853 4.740 -0.000 0.000 0.265 617 N C 1.232 176.696 175.510 -0.077 0.000 1.100 617 N CA -0.422 52.601 53.050 -0.046 0.000 0.961 617 N CB 0.650 39.110 38.487 -0.046 0.000 1.075 617 N HN 0.642 nan 8.380 nan 0.000 0.478 618 I N 0.404 120.910 120.570 -0.106 0.000 2.361 618 I HA -0.130 4.040 4.170 -0.000 0.000 0.251 618 I C 0.945 176.997 176.117 -0.109 0.000 1.133 618 I CA 1.440 62.638 61.300 -0.170 0.000 1.413 618 I CB -0.869 36.951 38.000 -0.299 0.000 1.073 618 I HN 0.422 nan 8.210 nan 0.000 0.424 619 E N 2.006 122.162 120.200 -0.073 0.000 2.005 619 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 619 E C 2.280 178.853 176.600 -0.046 0.000 0.987 619 E CA 2.623 58.991 56.400 -0.052 0.000 0.814 619 E CB -0.552 29.128 29.700 -0.034 0.000 0.772 619 E HN 0.703 nan 8.360 nan 0.000 0.453 620 T N -2.802 111.729 114.554 -0.039 0.000 3.129 620 T HA 0.211 4.561 4.350 -0.000 0.000 0.251 620 T C 1.391 176.073 174.700 -0.030 0.000 1.117 620 T CA 0.417 62.501 62.100 -0.026 0.000 1.034 620 T CB -0.005 68.856 68.868 -0.012 0.000 0.968 620 T HN 0.326 nan 8.240 nan 0.000 0.526 621 G N 1.537 110.301 108.800 -0.060 0.000 2.249 621 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.273 621 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.273 621 G C -0.110 174.702 174.900 -0.146 0.000 1.036 621 G CA 0.169 45.220 45.100 -0.083 0.000 0.824 621 G HN 0.632 nan 8.290 nan 0.000 0.504 622 L N 0.588 121.718 121.223 -0.155 0.000 2.265 622 L HA 0.597 4.937 4.340 -0.000 0.000 0.288 622 L C 0.486 177.131 176.870 -0.375 0.000 1.058 622 L CA -0.352 54.346 54.840 -0.238 0.000 0.809 622 L CB 0.818 42.835 42.059 -0.070 0.000 1.179 622 L HN 0.165 nan 8.230 nan 0.000 0.429 623 L N 5.063 125.811 121.223 -0.792 0.000 2.312 623 L HA 0.458 4.798 4.340 -0.000 0.000 0.281 623 L C 0.265 177.041 176.870 -0.156 0.000 1.070 623 L CA -0.247 54.303 54.840 -0.482 0.000 0.805 623 L CB 1.668 43.255 42.059 -0.786 0.000 1.174 623 L HN 0.730 nan 8.230 nan 0.000 0.434 624 S N 0.231 115.957 115.700 0.043 0.000 2.588 624 S HA 0.473 4.943 4.470 -0.000 0.000 0.275 624 S C -0.912 173.794 174.600 0.176 0.000 1.130 624 S CA -0.863 57.398 58.200 0.103 0.000 0.855 624 S CB 2.164 65.388 63.200 0.039 0.000 1.116 624 S HN 0.711 nan 8.310 nan 0.000 0.472 625 D N 0.451 120.936 120.400 0.142 0.000 2.778 625 D HA -0.139 4.501 4.640 -0.000 0.000 0.246 625 D C -0.095 176.242 176.300 0.061 0.000 1.107 625 D CA 0.653 54.711 54.000 0.097 0.000 0.732 625 D CB -0.666 40.181 40.800 0.079 0.000 1.055 625 D HN 0.751 nan 8.370 nan 0.000 0.429 626 R N 1.103 121.683 120.500 0.134 0.000 2.543 626 R HA 0.062 4.402 4.340 -0.000 0.000 0.348 626 R C 0.147 176.349 176.300 -0.163 0.000 0.981 626 R CA 0.359 56.456 56.100 -0.005 0.000 1.019 626 R CB 0.376 30.834 30.300 0.265 0.000 0.944 626 R HN -0.005 nan 8.270 nan 0.000 0.425 627 K N 3.055 123.173 120.400 -0.470 0.000 2.164 627 K HA 0.274 4.594 4.320 -0.000 0.000 0.258 627 K C -1.166 175.090 176.600 -0.573 0.000 0.951 627 K CA -0.711 55.263 56.287 -0.521 0.000 0.844 627 K CB 1.308 33.380 32.500 -0.712 0.000 1.099 627 K HN 0.363 nan 8.250 nan 0.000 0.435 628 K N 3.244 123.418 120.400 -0.377 0.000 2.397 628 K HA 0.466 4.786 4.320 -0.000 0.000 0.253 628 K C -1.641 174.746 176.600 -0.356 0.000 0.932 628 K CA -0.789 55.215 56.287 -0.471 0.000 0.795 628 K CB 1.633 33.799 32.500 -0.556 0.000 1.159 628 K HN 0.395 nan 8.250 nan 0.000 0.424 629 V N 2.469 122.167 119.914 -0.359 0.000 2.656 629 V HA 0.373 4.493 4.120 -0.000 0.000 0.307 629 V C -0.248 175.654 176.094 -0.320 0.000 1.051 629 V CA -0.904 61.192 62.300 -0.340 0.000 0.893 629 V CB 1.910 33.452 31.823 -0.468 0.000 0.999 629 V HN 0.951 nan 8.190 nan 0.000 0.426 630 T N 2.577 116.971 114.554 -0.268 0.000 2.837 630 T HA 0.787 5.137 4.350 -0.000 0.000 0.285 630 T C -0.650 173.933 174.700 -0.196 0.000 0.984 630 T CA -0.576 61.399 62.100 -0.208 0.000 1.049 630 T CB 1.101 69.874 68.868 -0.158 0.000 0.947 630 T HN 0.677 nan 8.240 nan 0.000 0.472 631 L N -0.114 121.016 121.223 -0.155 0.000 2.534 631 L HA 0.774 5.114 4.340 -0.000 0.000 0.259 631 L C 0.186 177.003 176.870 -0.089 0.000 1.108 631 L CA -0.448 54.313 54.840 -0.131 0.000 0.905 631 L CB 0.456 42.428 42.059 -0.146 0.000 1.138 631 L HN 1.246 nan 8.230 nan 0.000 0.475 632 G N 0.343 109.099 108.800 -0.075 0.000 2.728 632 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.686 632 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.686 632 G C 0.244 175.115 174.900 -0.048 0.000 1.337 632 G CA -0.164 44.905 45.100 -0.052 0.000 0.861 632 G HN 0.642 nan 8.290 nan 0.000 0.597 633 T N 2.088 116.621 114.554 -0.035 0.000 3.160 633 T HA 0.117 4.467 4.350 -0.000 0.000 0.257 633 T C 1.012 175.695 174.700 -0.029 0.000 1.147 633 T CA 0.985 63.067 62.100 -0.030 0.000 1.064 633 T CB 0.033 68.889 68.868 -0.020 0.000 0.949 633 T HN 0.564 nan 8.240 nan 0.000 0.526 634 Q N 1.828 121.608 119.800 -0.034 0.000 2.299 634 Q HA 0.305 4.645 4.340 -0.000 0.000 0.246 634 Q C -2.633 173.341 176.000 -0.043 0.000 0.935 634 Q CA -3.276 52.504 55.803 -0.039 0.000 0.887 634 Q CB 0.315 29.024 28.738 -0.049 0.000 1.223 634 Q HN 0.074 nan 8.270 nan 0.000 0.439 635 P HA -0.031 nan 4.420 nan 0.000 0.258 635 P C -0.673 176.597 177.300 -0.050 0.000 1.187 635 P CA 0.424 63.499 63.100 -0.042 0.000 0.767 635 P CB 0.164 31.838 31.700 -0.044 0.000 0.770 636 T N 3.820 118.355 114.554 -0.032 0.000 2.779 636 T HA 0.188 4.538 4.350 -0.000 0.000 0.296 636 T C 0.451 175.149 174.700 -0.003 0.000 0.938 636 T CA -0.201 61.886 62.100 -0.022 0.000 1.119 636 T CB 0.126 68.988 68.868 -0.009 0.000 0.891 636 T HN 0.011 nan 8.240 nan 0.000 0.526 637 V N 5.943 125.848 119.914 -0.016 0.000 2.465 637 V HA 0.359 4.479 4.120 -0.000 0.000 0.279 637 V C 0.386 176.528 176.094 0.079 0.000 1.045 637 V CA -0.712 61.599 62.300 0.020 0.000 0.938 637 V CB 0.930 32.731 31.823 -0.037 0.000 0.986 637 V HN 0.703 nan 8.190 nan 0.000 0.467 638 L N 5.468 126.754 121.223 0.106 0.000 2.360 638 L HA 0.770 5.110 4.340 -0.000 0.000 0.271 638 L C 0.248 177.213 176.870 0.157 0.000 1.057 638 L CA -0.619 54.304 54.840 0.138 0.000 0.803 638 L CB 1.413 43.549 42.059 0.129 0.000 1.207 638 L HN 0.577 nan 8.230 nan 0.000 0.445 639 R N -0.036 120.582 120.500 0.198 0.000 2.756 639 R HA 0.550 4.890 4.340 -0.000 0.000 0.273 639 R C -1.522 174.941 176.300 0.271 0.000 1.030 639 R CA -0.662 55.557 56.100 0.198 0.000 0.887 639 R CB 2.340 32.728 30.300 0.146 0.000 1.274 639 R HN 0.571 nan 8.270 nan 0.000 0.461 640 T N 1.388 116.112 114.554 0.283 0.000 2.900 640 T HA 0.745 5.095 4.350 -0.000 0.000 0.295 640 T C -1.167 173.851 174.700 0.530 0.000 1.044 640 T CA -0.380 61.920 62.100 0.335 0.000 0.995 640 T CB 0.997 69.976 68.868 0.185 0.000 1.072 640 T HN 0.349 nan 8.240 nan 0.000 0.473 641 F N -0.255 119.770 119.950 0.124 0.000 2.894 641 F HA 0.791 5.318 4.527 -0.000 0.000 0.332 641 F C -0.683 175.177 175.800 0.100 0.000 1.192 641 F CA -2.039 56.025 58.000 0.107 0.000 0.980 641 F CB 1.087 40.150 39.000 0.104 0.000 1.448 641 F HN 0.404 nan 8.300 nan 0.000 0.514 642 R N 0.438 121.019 120.500 0.136 0.000 2.476 642 R HA 0.469 4.809 4.340 -0.000 0.000 0.305 642 R C 0.196 176.495 176.300 -0.001 0.000 0.965 642 R CA -0.011 56.092 56.100 0.005 0.000 0.867 642 R CB 2.030 32.367 30.300 0.062 0.000 1.176 642 R HN 0.975 nan 8.270 nan 0.000 0.447 643 S N 4.122 119.765 115.700 -0.095 0.000 2.355 643 S HA 0.099 4.569 4.470 -0.000 0.000 0.216 643 S C 1.053 175.640 174.600 -0.023 0.000 1.037 643 S CA 0.404 58.564 58.200 -0.067 0.000 0.955 643 S CB 0.162 63.265 63.200 -0.162 0.000 0.877 643 S HN 0.567 nan 8.310 nan 0.000 0.488 644 L N 0.326 121.526 121.223 -0.039 0.000 3.361 644 L HA 0.375 4.715 4.340 -0.000 0.000 0.187 644 L C 2.631 179.496 176.870 -0.008 0.000 1.335 644 L CA 0.558 55.386 54.840 -0.019 0.000 1.736 644 L CB -0.724 41.314 42.059 -0.035 0.000 1.878 644 L HN 0.418 nan 8.230 nan 0.000 0.899 645 S N -1.005 114.687 115.700 -0.012 0.000 2.456 645 S HA -0.000 4.470 4.470 -0.000 0.000 0.224 645 S C 1.056 175.653 174.600 -0.006 0.000 1.035 645 S CA 0.304 58.502 58.200 -0.003 0.000 0.940 645 S CB -0.861 62.338 63.200 -0.001 0.000 0.799 645 S HN 0.543 nan 8.310 nan 0.000 0.508 646 T N 2.598 117.141 114.554 -0.017 0.000 2.946 646 T HA 0.368 4.718 4.350 -0.000 0.000 0.311 646 T C 0.168 174.849 174.700 -0.032 0.000 1.063 646 T CA 0.082 62.174 62.100 -0.015 0.000 1.139 646 T CB 0.474 69.321 68.868 -0.035 0.000 0.994 646 T HN 0.490 nan 8.240 nan 0.000 0.547 647 T N 0.882 115.432 114.554 -0.006 0.000 2.792 647 T HA 0.534 4.884 4.350 -0.000 0.000 0.280 647 T C -0.480 174.221 174.700 0.001 0.000 0.990 647 T CA -1.084 60.990 62.100 -0.043 0.000 0.960 647 T CB 0.526 69.374 68.868 -0.034 0.000 0.939 647 T HN 0.779 nan 8.240 nan 0.000 0.439 648 N N 1.228 119.817 118.700 -0.186 0.000 2.525 648 N HA 0.712 5.452 4.740 -0.000 0.000 0.288 648 N C -1.323 174.159 175.510 -0.046 0.000 1.242 648 N CA -1.204 51.780 53.050 -0.110 0.000 0.905 648 N CB 1.872 40.110 38.487 -0.416 0.000 1.258 648 N HN 0.405 nan 8.380 nan 0.000 0.551 649 V N 1.356 121.370 119.914 0.167 0.000 2.409 649 V HA 0.306 4.425 4.120 -0.000 0.000 0.291 649 V C -1.100 175.239 176.094 0.409 0.000 1.020 649 V CA -0.630 61.846 62.300 0.294 0.000 0.848 649 V CB 0.862 32.831 31.823 0.245 0.000 0.990 649 V HN 0.521 nan 8.190 nan 0.000 0.430 650 F N 4.104 124.311 119.950 0.427 0.000 2.420 650 F HA 0.625 5.152 4.527 -0.000 0.000 0.352 650 F C 0.678 176.550 175.800 0.120 0.000 1.108 650 F CA -0.342 57.811 58.000 0.255 0.000 1.162 650 F CB 1.046 40.074 39.000 0.048 0.000 1.118 650 F HN 0.543 nan 8.300 nan 0.000 0.510 651 A N 6.100 128.855 122.820 -0.108 0.000 2.736 651 A HA 0.350 4.670 4.320 -0.000 0.000 0.335 651 A C -0.579 177.015 177.584 0.017 0.000 1.446 651 A CA -0.516 51.516 52.037 -0.008 0.000 1.028 651 A CB -0.883 18.089 19.000 -0.047 0.000 1.154 651 A HN 0.828 nan 8.150 nan 0.000 0.507 652 C N 3.141 122.557 119.300 0.194 0.000 2.573 652 C HA 0.490 4.950 4.460 -0.000 0.000 0.369 652 C C 1.320 176.308 174.990 -0.002 0.000 1.205 652 C CA 0.309 59.421 59.018 0.157 0.000 1.535 652 C CB -2.311 25.477 27.740 0.080 0.000 2.159 652 C HN 0.895 nan 8.230 nan 0.000 0.558 653 S N 1.549 117.243 115.700 -0.009 0.000 2.819 653 S HA 0.437 4.907 4.470 -0.000 0.000 0.299 653 S C 0.702 175.282 174.600 -0.033 0.000 1.192 653 S CA -0.119 58.054 58.200 -0.045 0.000 0.847 653 S CB 0.869 64.042 63.200 -0.046 0.000 1.224 653 S HN 0.565 nan 8.310 nan 0.000 0.537 654 D N 0.292 120.670 120.400 -0.036 0.000 2.221 654 D HA -0.173 4.467 4.640 -0.000 0.000 0.204 654 D C 0.771 177.060 176.300 -0.018 0.000 0.982 654 D CA 1.007 54.993 54.000 -0.023 0.000 0.857 654 D CB -0.226 40.562 40.800 -0.020 0.000 0.934 654 D HN 0.547 nan 8.370 nan 0.000 0.475 655 R N 0.870 121.352 120.500 -0.030 0.000 2.505 655 R HA 0.317 4.657 4.340 -0.000 0.000 0.284 655 R C -2.794 173.470 176.300 -0.061 0.000 1.324 655 R CA -1.864 54.214 56.100 -0.037 0.000 1.432 655 R CB 1.034 31.309 30.300 -0.042 0.000 1.107 655 R HN -0.019 nan 8.270 nan 0.000 0.587 656 P HA 0.140 nan 4.420 nan 0.000 0.271 656 P C -1.052 176.102 177.300 -0.243 0.000 1.216 656 P CA 0.153 63.169 63.100 -0.140 0.000 0.776 656 P CB 1.308 32.986 31.700 -0.037 0.000 0.881 657 T N 1.192 115.515 114.554 -0.385 0.000 2.916 657 T HA 0.415 4.765 4.350 -0.000 0.000 0.305 657 T C -1.085 173.373 174.700 -0.403 0.000 1.119 657 T CA -0.573 61.358 62.100 -0.281 0.000 1.008 657 T CB 1.647 70.456 68.868 -0.098 0.000 1.129 657 T HN 0.224 nan 8.240 nan 0.000 0.480 658 V N 4.066 123.845 119.914 -0.224 0.000 2.384 658 V HA 0.682 4.802 4.120 -0.000 0.000 0.287 658 V C -1.025 175.027 176.094 -0.070 0.000 1.020 658 V CA -0.844 61.411 62.300 -0.075 0.000 0.850 658 V CB 0.411 32.322 31.823 0.146 0.000 0.987 658 V HN 0.808 nan 8.190 nan 0.000 0.436 659 I N 8.852 129.341 120.570 -0.134 0.000 2.359 659 I HA 0.609 4.779 4.170 -0.000 0.000 0.294 659 I C -0.480 175.389 176.117 -0.414 0.000 0.987 659 I CA -0.560 60.455 61.300 -0.476 0.000 1.225 659 I CB 1.360 39.016 38.000 -0.573 0.000 1.366 659 I HN 0.825 nan 8.210 nan 0.000 0.466 660 Y N 2.944 122.829 120.300 -0.691 0.000 2.689 660 Y HA 0.734 5.284 4.550 -0.000 0.000 0.333 660 Y C -0.623 174.761 175.900 -0.861 0.000 1.190 660 Y CA -1.352 56.323 58.100 -0.708 0.000 1.063 660 Y CB 1.175 39.419 38.460 -0.360 0.000 1.294 660 Y HN 0.457 nan 8.280 nan 0.000 0.466 661 S N 0.103 115.504 115.700 -0.498 0.000 2.593 661 S HA 0.607 5.077 4.470 -0.000 0.000 0.297 661 S C 0.252 174.839 174.600 -0.022 0.000 1.112 661 S CA 0.123 58.102 58.200 -0.368 0.000 1.043 661 S CB 1.342 64.364 63.200 -0.297 0.000 1.054 661 S HN 1.203 nan 8.310 nan 0.000 0.516 662 S N 2.973 118.637 115.700 -0.060 0.000 2.748 662 S HA 0.097 4.567 4.470 -0.000 0.000 0.241 662 S C 1.263 175.818 174.600 -0.074 0.000 1.064 662 S CA 0.365 58.566 58.200 0.002 0.000 0.892 662 S CB -0.608 62.615 63.200 0.038 0.000 0.810 662 S HN 0.802 nan 8.310 nan 0.000 0.555 663 N N 0.788 119.426 118.700 -0.103 0.000 2.652 663 N HA 0.111 4.851 4.740 -0.000 0.000 0.226 663 N C 0.735 175.993 175.510 -0.421 0.000 1.023 663 N CA 1.047 53.979 53.050 -0.196 0.000 1.126 663 N CB -0.423 38.022 38.487 -0.069 0.000 1.476 663 N HN 0.465 nan 8.380 nan 0.000 0.537 664 H N -1.572 117.520 119.070 0.037 0.000 3.780 664 H HA 0.323 4.879 4.556 -0.000 0.000 0.266 664 H C -0.713 174.664 175.328 0.081 0.000 1.144 664 H CA -0.340 55.751 56.048 0.071 0.000 1.176 664 H CB 1.275 31.085 29.762 0.080 0.000 1.690 664 H HN 0.266 nan 8.280 nan 0.000 0.835 665 K N 2.087 122.542 120.400 0.093 0.000 2.156 665 K HA 0.419 4.739 4.320 -0.000 0.000 0.254 665 K C -0.306 176.179 176.600 -0.192 0.000 0.950 665 K CA -0.652 55.648 56.287 0.021 0.000 0.849 665 K CB 1.708 34.231 32.500 0.038 0.000 1.100 665 K HN 0.140 nan 8.250 nan 0.000 0.434 666 L N 0.761 121.773 121.223 -0.352 0.000 2.325 666 L HA 0.648 4.988 4.340 -0.000 0.000 0.279 666 L C -0.634 175.744 176.870 -0.820 0.000 1.054 666 L CA -1.100 53.281 54.840 -0.765 0.000 0.804 666 L CB 1.472 42.820 42.059 -1.186 0.000 1.200 666 L HN 0.141 nan 8.230 nan 0.000 0.436 667 V N 2.456 121.708 119.914 -1.103 0.000 2.628 667 V HA 0.442 4.561 4.120 -0.000 0.000 0.306 667 V C -0.697 174.702 176.094 -1.158 0.000 1.045 667 V CA -0.176 61.543 62.300 -0.968 0.000 0.905 667 V CB 1.796 33.009 31.823 -1.017 0.000 0.997 667 V HN 0.543 nan 8.190 nan 0.000 0.436 668 F N 1.908 121.583 119.950 -0.458 0.000 2.307 668 F HA 0.408 4.935 4.527 -0.000 0.000 0.369 668 F C 0.867 176.539 175.800 -0.214 0.000 1.076 668 F CA -0.271 57.533 58.000 -0.326 0.000 1.149 668 F CB 1.286 40.141 39.000 -0.242 0.000 1.410 668 F HN 0.338 nan 8.300 nan 0.000 0.481 669 S N 2.815 118.483 115.700 -0.055 0.000 2.481 669 S HA 0.031 4.501 4.470 -0.000 0.000 0.276 669 S C 0.234 174.843 174.600 0.016 0.000 1.247 669 S CA -0.637 57.588 58.200 0.041 0.000 1.053 669 S CB 0.084 63.381 63.200 0.162 0.000 0.925 669 S HN 0.663 nan 8.310 nan 0.000 0.491 670 N N 3.834 122.540 118.700 0.011 0.000 2.452 670 N HA 0.062 4.802 4.740 -0.000 0.000 0.266 670 N C -0.600 174.903 175.510 -0.012 0.000 1.175 670 N CA -0.325 52.718 53.050 -0.013 0.000 0.945 670 N CB 0.554 39.039 38.487 -0.005 0.000 1.063 670 N HN 0.226 nan 8.380 nan 0.000 0.472 671 V N 3.829 123.708 119.914 -0.058 0.000 2.488 671 V HA -0.020 4.099 4.120 -0.000 0.000 0.277 671 V C 0.839 176.931 176.094 -0.004 0.000 1.046 671 V CA -0.549 61.730 62.300 -0.035 0.000 0.986 671 V CB 0.716 32.480 31.823 -0.099 0.000 0.989 671 V HN 0.684 nan 8.190 nan 0.000 0.475 672 N N 5.785 124.490 118.700 0.009 0.000 2.971 672 N HA 0.281 5.021 4.740 -0.000 0.000 0.294 672 N C -0.945 174.546 175.510 -0.031 0.000 1.210 672 N CA 0.434 53.477 53.050 -0.011 0.000 1.157 672 N CB -0.608 37.853 38.487 -0.043 0.000 1.450 672 N HN 0.646 nan 8.380 nan 0.000 0.527 673 L N 0.595 121.815 121.223 -0.006 0.000 2.518 673 L HA 0.311 4.651 4.340 -0.000 0.000 0.257 673 L C 0.441 177.316 176.870 0.008 0.000 0.980 673 L CA -0.938 53.902 54.840 -0.001 0.000 0.837 673 L CB 1.938 44.010 42.059 0.022 0.000 1.410 673 L HN 0.173 nan 8.230 nan 0.000 0.410 674 K N 0.886 121.290 120.400 0.007 0.000 2.171 674 K HA -0.033 4.287 4.320 -0.000 0.000 0.248 674 K C -0.040 176.566 176.600 0.010 0.000 1.068 674 K CA 0.179 56.472 56.287 0.010 0.000 0.777 674 K CB 0.243 32.745 32.500 0.004 0.000 1.061 674 K HN 0.539 nan 8.250 nan 0.000 0.535 675 E N -0.079 120.123 120.200 0.003 0.000 2.508 675 E HA -0.048 4.302 4.350 -0.000 0.000 0.266 675 E C -0.978 175.624 176.600 0.004 0.000 1.010 675 E CA 0.304 56.702 56.400 -0.003 0.000 0.955 675 E CB 0.686 30.378 29.700 -0.014 0.000 0.946 675 E HN 0.159 nan 8.360 nan 0.000 0.454 676 V N 4.530 124.452 119.914 0.013 0.000 2.447 676 V HA 0.079 4.199 4.120 -0.000 0.000 0.292 676 V C 0.648 176.709 176.094 -0.056 0.000 1.021 676 V CA -0.789 61.517 62.300 0.011 0.000 0.850 676 V CB 1.453 33.351 31.823 0.126 0.000 1.005 676 V HN 0.596 nan 8.190 nan 0.000 0.426 677 N N 2.866 121.487 118.700 -0.131 0.000 2.173 677 N HA 0.061 4.801 4.740 -0.000 0.000 0.184 677 N C -0.165 174.958 175.510 -0.644 0.000 1.025 677 N CA 1.457 54.282 53.050 -0.374 0.000 0.852 677 N CB 0.158 38.449 38.487 -0.326 0.000 0.998 677 N HN 0.661 nan 8.380 nan 0.000 0.427 678 Y N -0.838 119.396 120.300 -0.109 0.000 2.669 678 Y HA 0.547 5.097 4.550 -0.000 0.000 0.335 678 Y C -0.182 175.560 175.900 -0.263 0.000 1.116 678 Y CA -1.393 56.602 58.100 -0.174 0.000 1.081 678 Y CB 1.517 39.836 38.460 -0.235 0.000 1.297 678 Y HN -0.112 nan 8.280 nan 0.000 0.484 679 M N 1.524 121.038 119.600 -0.143 0.000 2.523 679 M HA 0.725 5.205 4.480 -0.000 0.000 0.287 679 M C -2.075 174.043 176.300 -0.304 0.000 1.160 679 M CA -0.829 54.269 55.300 -0.338 0.000 0.902 679 M CB 1.803 34.021 32.600 -0.636 0.000 1.752 679 M HN 0.875 nan 8.290 nan 0.000 0.504 680 C N 0.755 119.863 119.300 -0.321 0.000 3.171 680 C HA 0.931 5.391 4.460 -0.000 0.000 0.336 680 C C -2.981 171.892 174.990 -0.195 0.000 1.198 680 C CA -1.101 57.778 59.018 -0.233 0.000 1.319 680 C CB 1.959 29.546 27.740 -0.255 0.000 1.682 680 C HN 0.945 nan 8.230 nan 0.000 0.497 681 P HA 0.336 nan 4.420 nan 0.000 0.271 681 P C -0.995 176.341 177.300 0.059 0.000 1.220 681 P CA 0.274 63.392 63.100 0.029 0.000 0.768 681 P CB 0.973 32.783 31.700 0.184 0.000 0.848 682 L N 3.830 125.113 121.223 0.100 0.000 2.342 682 L HA 0.480 4.820 4.340 -0.000 0.000 0.276 682 L C -0.527 176.559 176.870 0.360 0.000 0.997 682 L CA -0.546 54.407 54.840 0.189 0.000 0.838 682 L CB 0.906 42.977 42.059 0.020 0.000 1.224 682 L HN 0.181 nan 8.230 nan 0.000 0.416 683 N N 2.724 121.786 118.700 0.603 0.000 3.091 683 N HA 0.259 4.999 4.740 -0.000 0.000 0.255 683 N C -0.736 174.903 175.510 0.215 0.000 1.204 683 N CA 0.075 53.269 53.050 0.239 0.000 0.990 683 N CB 0.578 39.058 38.487 -0.012 0.000 1.260 683 N HN 0.607 nan 8.380 nan 0.000 0.502 684 S N 0.932 116.790 115.700 0.264 0.000 2.652 684 S HA 0.204 4.674 4.470 -0.000 0.000 0.270 684 S C 1.004 175.666 174.600 0.103 0.000 1.243 684 S CA -0.487 57.846 58.200 0.221 0.000 0.999 684 S CB 0.696 64.094 63.200 0.330 0.000 0.973 684 S HN 0.436 nan 8.310 nan 0.000 0.544 685 D N 2.696 123.127 120.400 0.051 0.000 2.092 685 D HA -0.096 4.544 4.640 -0.000 0.000 0.193 685 D C 1.786 178.044 176.300 -0.071 0.000 0.994 685 D CA 1.755 55.750 54.000 -0.009 0.000 0.828 685 D CB -0.607 40.184 40.800 -0.016 0.000 0.963 685 D HN 0.768 nan 8.370 nan 0.000 0.450 686 G N -1.253 107.457 108.800 -0.149 0.000 2.572 686 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.216 686 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.216 686 G C 0.116 174.631 174.900 -0.642 0.000 1.133 686 G CA 0.185 45.037 45.100 -0.414 0.000 0.791 686 G HN 0.249 nan 8.290 nan 0.000 0.538 687 Y N 0.855 121.182 120.300 0.045 0.000 2.594 687 Y HA 0.373 4.923 4.550 -0.000 0.000 0.338 687 Y C -2.509 173.436 175.900 0.075 0.000 1.019 687 Y CA -2.574 55.566 58.100 0.067 0.000 1.306 687 Y CB 2.251 40.761 38.460 0.084 0.000 1.094 687 Y HN -0.051 nan 8.280 nan 0.000 0.534 688 P HA 0.165 nan 4.420 nan 0.000 0.290 688 P C -0.397 176.987 177.300 0.140 0.000 1.276 688 P CA -0.247 62.923 63.100 0.116 0.000 0.808 688 P CB 0.961 32.696 31.700 0.057 0.000 0.966 689 D N -0.320 120.157 120.400 0.128 0.000 2.689 689 D HA -0.110 4.530 4.640 -0.000 0.000 0.237 689 D C -0.369 176.019 176.300 0.147 0.000 1.148 689 D CA 1.120 55.198 54.000 0.131 0.000 0.656 689 D CB -1.441 39.424 40.800 0.108 0.000 1.050 689 D HN 0.313 nan 8.370 nan 0.000 0.426 690 S N -0.611 115.182 115.700 0.155 0.000 2.766 690 S HA 0.799 5.269 4.470 -0.000 0.000 0.307 690 S C 0.472 175.088 174.600 0.026 0.000 1.121 690 S CA -0.839 57.430 58.200 0.115 0.000 0.980 690 S CB 2.173 65.472 63.200 0.163 0.000 1.159 690 S HN 0.184 nan 8.310 nan 0.000 0.546 691 L N 0.965 122.146 121.223 -0.069 0.000 2.365 691 L HA 0.687 5.027 4.340 -0.000 0.000 0.273 691 L C -0.411 176.328 176.870 -0.218 0.000 1.000 691 L CA -0.951 53.775 54.840 -0.190 0.000 0.819 691 L CB 1.730 43.604 42.059 -0.307 0.000 1.284 691 L HN 0.739 nan 8.230 nan 0.000 0.418 692 A N 5.164 127.837 122.820 -0.246 0.000 2.260 692 A HA 0.747 5.067 4.320 -0.000 0.000 0.308 692 A C -0.701 176.707 177.584 -0.294 0.000 1.254 692 A CA -0.311 51.575 52.037 -0.251 0.000 0.874 692 A CB 0.244 19.103 19.000 -0.234 0.000 1.153 692 A HN 0.645 nan 8.150 nan 0.000 0.527 693 L N 2.501 123.568 121.223 -0.259 0.000 2.376 693 L HA 0.686 5.026 4.340 -0.000 0.000 0.275 693 L C 0.158 176.931 176.870 -0.161 0.000 0.987 693 L CA -0.495 54.191 54.840 -0.257 0.000 0.828 693 L CB 1.999 43.898 42.059 -0.266 0.000 1.249 693 L HN 0.739 nan 8.230 nan 0.000 0.409 694 A N 3.608 126.355 122.820 -0.122 0.000 2.318 694 A HA 0.642 4.962 4.320 -0.000 0.000 0.317 694 A C -0.468 177.105 177.584 -0.018 0.000 1.159 694 A CA -0.696 51.309 52.037 -0.054 0.000 0.799 694 A CB 0.877 19.853 19.000 -0.039 0.000 1.194 694 A HN 0.791 nan 8.150 nan 0.000 0.479 695 N N 1.591 120.284 118.700 -0.012 0.000 2.776 695 N HA 0.152 4.892 4.740 -0.000 0.000 0.319 695 N C -0.043 175.482 175.510 0.026 0.000 1.316 695 N CA -0.764 52.284 53.050 -0.003 0.000 0.890 695 N CB 0.313 38.795 38.487 -0.008 0.000 1.165 695 N HN 0.498 nan 8.380 nan 0.000 0.596 696 N N -0.834 117.881 118.700 0.025 0.000 2.453 696 N HA -0.093 4.647 4.740 -0.000 0.000 0.183 696 N C 0.788 176.332 175.510 0.058 0.000 1.041 696 N CA 1.362 54.440 53.050 0.045 0.000 0.900 696 N CB 0.025 38.531 38.487 0.031 0.000 0.961 696 N HN 0.714 nan 8.380 nan 0.000 0.443 697 S N -2.143 113.584 115.700 0.044 0.000 2.651 697 S HA 0.167 4.637 4.470 -0.000 0.000 0.259 697 S C 0.527 175.155 174.600 0.047 0.000 1.073 697 S CA -0.330 57.898 58.200 0.047 0.000 1.090 697 S CB 1.088 64.306 63.200 0.029 0.000 1.042 697 S HN -0.106 nan 8.310 nan 0.000 0.581 698 T N 2.675 117.249 114.554 0.033 0.000 2.991 698 T HA 0.561 4.911 4.350 -0.000 0.000 0.303 698 T C -1.415 173.284 174.700 -0.002 0.000 1.015 698 T CA -0.441 61.670 62.100 0.018 0.000 1.007 698 T CB 1.688 70.559 68.868 0.005 0.000 1.034 698 T HN 0.295 nan 8.240 nan 0.000 0.446 699 L N 3.951 125.174 121.223 -0.001 0.000 2.417 699 L HA 0.676 5.016 4.340 -0.000 0.000 0.268 699 L C -0.186 176.646 176.870 -0.064 0.000 1.158 699 L CA 0.758 55.574 54.840 -0.040 0.000 0.819 699 L CB 0.816 42.857 42.059 -0.029 0.000 1.112 699 L HN 0.648 nan 8.230 nan 0.000 0.458 700 T N 5.974 120.465 114.554 -0.105 0.000 2.991 700 T HA 0.538 4.888 4.350 -0.000 0.000 0.303 700 T C -0.670 173.923 174.700 -0.179 0.000 1.015 700 T CA -0.383 61.644 62.100 -0.122 0.000 1.007 700 T CB 1.001 69.803 68.868 -0.109 0.000 1.034 700 T HN 0.386 nan 8.240 nan 0.000 0.446 701 I N 2.196 122.636 120.570 -0.217 0.000 2.392 701 I HA 0.856 5.026 4.170 -0.000 0.000 0.295 701 I C 0.709 176.713 176.117 -0.190 0.000 0.985 701 I CA -0.420 60.701 61.300 -0.299 0.000 1.221 701 I CB 1.094 38.697 38.000 -0.661 0.000 1.366 701 I HN 0.844 nan 8.210 nan 0.000 0.467 702 G N 2.972 111.691 108.800 -0.135 0.000 2.550 702 G HA2 0.435 4.395 3.960 -0.000 0.000 0.293 702 G HA3 0.435 4.395 3.960 -0.000 0.000 0.293 702 G C -1.587 173.298 174.900 -0.026 0.000 1.402 702 G CA -0.420 44.614 45.100 -0.109 0.000 0.784 702 G HN 0.559 nan 8.290 nan 0.000 0.482 703 T N -0.201 114.336 114.554 -0.029 0.000 2.823 703 T HA 0.613 4.963 4.350 -0.000 0.000 0.279 703 T C -0.385 174.312 174.700 -0.004 0.000 0.998 703 T CA -0.497 61.648 62.100 0.075 0.000 0.994 703 T CB 0.876 69.888 68.868 0.240 0.000 0.960 703 T HN 0.661 nan 8.240 nan 0.000 0.448 704 I N 3.917 124.503 120.570 0.027 0.000 2.353 704 I HA 0.352 4.522 4.170 -0.000 0.000 0.293 704 I C -0.140 176.010 176.117 0.055 0.000 0.992 704 I CA -0.708 60.601 61.300 0.015 0.000 1.268 704 I CB 0.809 38.859 38.000 0.083 0.000 1.387 704 I HN 0.592 nan 8.210 nan 0.000 0.478 705 D N 6.051 126.450 120.400 -0.001 0.000 2.548 705 D HA -0.086 4.554 4.640 -0.000 0.000 0.231 705 D C 0.965 177.312 176.300 0.079 0.000 1.142 705 D CA 0.510 54.547 54.000 0.062 0.000 0.866 705 D CB 0.879 41.717 40.800 0.062 0.000 1.190 705 D HN 0.583 nan 8.370 nan 0.000 0.469 706 E N 1.174 121.417 120.200 0.072 0.000 2.106 706 E HA -0.064 4.286 4.350 -0.000 0.000 0.192 706 E C 0.283 176.870 176.600 -0.023 0.000 0.984 706 E CA 0.810 57.227 56.400 0.028 0.000 0.806 706 E CB 0.325 30.038 29.700 0.021 0.000 0.750 706 E HN 0.450 nan 8.360 nan 0.000 0.458 707 I N -0.138 120.429 120.570 -0.006 0.000 2.994 707 I HA 0.101 4.271 4.170 -0.000 0.000 0.306 707 I C -0.215 175.908 176.117 0.010 0.000 1.195 707 I CA -0.825 60.456 61.300 -0.033 0.000 1.001 707 I CB 2.069 40.041 38.000 -0.045 0.000 1.244 707 I HN -0.152 nan 8.210 nan 0.000 0.437 708 Q N 2.875 122.684 119.800 0.015 0.000 2.315 708 Q HA -0.045 4.295 4.340 -0.000 0.000 0.289 708 Q C 0.128 176.125 176.000 -0.005 0.000 1.044 708 Q CA 0.741 56.560 55.803 0.027 0.000 0.920 708 Q CB 0.839 29.595 28.738 0.030 0.000 1.214 708 Q HN 0.545 nan 8.270 nan 0.000 0.392 709 K N 3.627 124.016 120.400 -0.018 0.000 2.410 709 K HA 0.226 4.546 4.320 -0.000 0.000 0.204 709 K C -0.975 175.518 176.600 -0.179 0.000 1.268 709 K CA 0.137 56.364 56.287 -0.100 0.000 0.896 709 K CB 0.393 32.818 32.500 -0.125 0.000 1.401 709 K HN 0.544 nan 8.250 nan 0.000 0.479 710 L N 1.537 122.618 121.223 -0.237 0.000 1.625 710 L HA -0.052 4.288 4.340 -0.000 0.000 0.537 710 L C -2.127 174.532 176.870 -0.351 0.000 1.000 710 L CA 0.581 55.297 54.840 -0.206 0.000 1.174 710 L CB -1.056 40.955 42.059 -0.080 0.000 1.959 710 L HN 0.676 nan 8.230 nan 0.000 1.058 711 H N 4.808 123.899 119.070 0.035 0.000 2.974 711 H HA 0.845 5.401 4.556 -0.000 0.000 0.366 711 H C -0.732 174.612 175.328 0.025 0.000 1.155 711 H CA -0.496 55.574 56.048 0.037 0.000 1.186 711 H CB 1.709 31.491 29.762 0.035 0.000 1.799 711 H HN 0.455 nan 8.280 nan 0.000 0.541 712 I N 1.832 122.507 120.570 0.176 0.000 2.608 712 I HA 0.476 4.646 4.170 -0.000 0.000 0.295 712 I C -0.509 175.644 176.117 0.061 0.000 1.049 712 I CA -0.818 60.533 61.300 0.086 0.000 1.063 712 I CB 2.362 40.401 38.000 0.066 0.000 1.248 712 I HN 0.330 nan 8.210 nan 0.000 0.424 713 R N 2.710 123.226 120.500 0.026 0.000 2.599 713 R HA 0.603 4.943 4.340 -0.000 0.000 0.295 713 R C -1.163 175.127 176.300 -0.016 0.000 0.963 713 R CA -0.384 55.721 56.100 0.008 0.000 0.883 713 R CB 2.302 32.603 30.300 0.001 0.000 1.171 713 R HN 0.676 nan 8.270 nan 0.000 0.450 714 T N 2.691 117.234 114.554 -0.018 0.000 2.829 714 T HA 0.383 4.733 4.350 -0.000 0.000 0.282 714 T C -0.729 173.936 174.700 -0.058 0.000 0.990 714 T CA -0.452 61.624 62.100 -0.040 0.000 1.028 714 T CB 1.541 70.391 68.868 -0.031 0.000 0.951 714 T HN 0.255 nan 8.240 nan 0.000 0.460 715 V N 5.939 125.800 119.914 -0.088 0.000 2.398 715 V HA 0.353 4.473 4.120 -0.000 0.000 0.282 715 V C -2.311 173.684 176.094 -0.165 0.000 1.014 715 V CA -1.933 60.303 62.300 -0.107 0.000 0.838 715 V CB 1.231 32.991 31.823 -0.105 0.000 1.018 715 V HN 0.709 nan 8.190 nan 0.000 0.432 716 P HA 0.408 nan 4.420 nan 0.000 0.279 716 P C 0.011 176.956 177.300 -0.593 0.000 1.239 716 P CA -0.174 62.670 63.100 -0.426 0.000 0.789 716 P CB 2.285 33.694 31.700 -0.485 0.000 0.933 717 L N 1.782 122.636 121.223 -0.616 0.000 2.685 717 L HA 0.211 4.551 4.340 -0.000 0.000 0.235 717 L C 0.419 177.062 176.870 -0.378 0.000 1.070 717 L CA -0.047 54.533 54.840 -0.432 0.000 0.888 717 L CB -0.530 41.401 42.059 -0.214 0.000 1.203 717 L HN 0.314 nan 8.230 nan 0.000 0.499 718 Y N 0.012 120.294 120.300 -0.031 0.000 4.079 718 Y HA -0.274 4.276 4.550 -0.000 0.000 0.223 718 Y C 0.132 176.019 175.900 -0.022 0.000 1.155 718 Y CA 0.077 58.162 58.100 -0.024 0.000 1.805 718 Y CB -2.408 36.028 38.460 -0.039 0.000 1.571 718 Y HN 0.346 nan 8.280 nan 0.000 0.654 719 E N -0.644 119.580 120.200 0.040 0.000 2.367 719 E HA 0.509 4.859 4.350 -0.000 0.000 0.273 719 E C -0.696 175.924 176.600 0.033 0.000 0.903 719 E CA -0.996 55.422 56.400 0.029 0.000 0.764 719 E CB 1.873 31.561 29.700 -0.021 0.000 1.252 719 E HN 0.048 nan 8.360 nan 0.000 0.446 720 S N 2.621 118.361 115.700 0.067 0.000 2.510 720 S HA 0.103 4.573 4.470 -0.000 0.000 0.279 720 S C -1.910 172.695 174.600 0.008 0.000 1.284 720 S CA -0.936 57.289 58.200 0.042 0.000 1.059 720 S CB 0.532 63.782 63.200 0.084 0.000 0.901 720 S HN 0.399 nan 8.310 nan 0.000 0.491 721 P HA 0.162 nan 4.420 nan 0.000 0.232 721 P C 0.979 178.287 177.300 0.013 0.000 1.170 721 P CA -0.070 63.023 63.100 -0.011 0.000 0.824 721 P CB 0.243 31.924 31.700 -0.032 0.000 0.896 722 R N -1.511 119.004 120.500 0.026 0.000 1.195 722 R HA -0.169 4.171 4.340 -0.000 0.000 0.014 722 R C -0.293 176.049 176.300 0.069 0.000 0.961 722 R CA 1.823 57.956 56.100 0.056 0.000 1.984 722 R CB -1.314 29.029 30.300 0.072 0.000 0.125 722 R HN 0.082 nan 8.270 nan 0.000 0.732 723 K N 0.444 120.886 120.400 0.071 0.000 2.469 723 K HA 0.558 4.878 4.320 -0.000 0.000 0.254 723 K C -1.012 175.641 176.600 0.088 0.000 0.939 723 K CA -0.230 56.110 56.287 0.089 0.000 0.812 723 K CB 2.222 34.786 32.500 0.107 0.000 1.301 723 K HN 0.347 nan 8.250 nan 0.000 0.433 724 I N -0.377 120.262 120.570 0.115 0.000 2.802 724 I HA 0.663 4.833 4.170 -0.000 0.000 0.298 724 I C -1.262 174.986 176.117 0.217 0.000 1.176 724 I CA -0.373 61.017 61.300 0.150 0.000 1.025 724 I CB 1.917 39.989 38.000 0.120 0.000 1.243 724 I HN 0.815 nan 8.210 nan 0.000 0.424 725 C N 3.490 122.965 119.300 0.291 0.000 3.239 725 C HA 0.616 5.076 4.460 -0.000 0.000 0.329 725 C C -1.538 173.656 174.990 0.340 0.000 1.252 725 C CA -0.889 58.313 59.018 0.307 0.000 1.323 725 C CB 0.902 28.791 27.740 0.249 0.000 1.663 725 C HN 0.951 nan 8.230 nan 0.000 0.487 726 Y N 1.815 122.105 120.300 -0.016 0.000 2.331 726 Y HA 0.556 5.106 4.550 -0.000 0.000 0.338 726 Y C 0.233 175.985 175.900 -0.248 0.000 0.976 726 Y CA -0.232 57.630 58.100 -0.398 0.000 1.137 726 Y CB 1.172 39.247 38.460 -0.642 0.000 1.172 726 Y HN 0.919 nan 8.280 nan 0.000 0.478 727 Q N 5.803 125.263 119.800 -0.566 0.000 2.571 727 Q HA 0.120 4.460 4.340 -0.000 0.000 0.222 727 Q C 0.916 176.345 176.000 -0.951 0.000 1.167 727 Q CA -0.119 55.292 55.803 -0.652 0.000 0.966 727 Q CB 0.560 28.946 28.738 -0.587 0.000 1.274 727 Q HN 0.891 nan 8.270 nan 0.000 0.552 728 E N 2.495 122.029 120.200 -1.111 0.000 2.204 728 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 728 E C 1.030 177.335 176.600 -0.493 0.000 0.990 728 E CA 1.208 56.985 56.400 -1.038 0.000 0.821 728 E CB 0.393 29.746 29.700 -0.578 0.000 0.750 728 E HN 0.628 nan 8.360 nan 0.000 0.477 729 V N 0.890 120.569 119.914 -0.391 0.000 2.283 729 V HA -0.195 3.925 4.120 -0.000 0.000 0.243 729 V C 2.266 178.243 176.094 -0.195 0.000 1.039 729 V CA 1.897 64.049 62.300 -0.247 0.000 1.016 729 V CB -0.715 30.966 31.823 -0.237 0.000 0.650 729 V HN 0.293 nan 8.190 nan 0.000 0.449 730 S N -0.890 114.688 115.700 -0.203 0.000 2.710 730 S HA 0.051 4.521 4.470 -0.000 0.000 0.224 730 S C 0.707 175.272 174.600 -0.058 0.000 0.948 730 S CA -0.249 57.902 58.200 -0.081 0.000 0.949 730 S CB -0.384 62.830 63.200 0.024 0.000 0.778 730 S HN 0.566 nan 8.310 nan 0.000 0.498 731 Q N -0.132 119.569 119.800 -0.165 0.000 2.448 731 Q HA -0.197 4.143 4.340 -0.000 0.000 0.356 731 Q C -0.727 175.185 176.000 -0.146 0.000 1.430 731 Q CA 0.745 56.446 55.803 -0.169 0.000 1.011 731 Q CB -1.977 26.681 28.738 -0.134 0.000 1.203 731 Q HN 0.749 nan 8.270 nan 0.000 0.351 732 C N 0.754 120.005 119.300 -0.082 0.000 3.247 732 C HA 0.633 5.093 4.460 -0.000 0.000 0.375 732 C C -1.049 174.016 174.990 0.125 0.000 1.102 732 C CA -0.888 58.166 59.018 0.059 0.000 1.227 732 C CB 1.335 29.146 27.740 0.118 0.000 1.586 732 C HN 0.473 nan 8.230 nan 0.000 0.544 733 F N 2.508 122.582 119.950 0.208 0.000 2.425 733 F HA 0.656 5.182 4.527 -0.000 0.000 0.331 733 F C 0.994 176.823 175.800 0.049 0.000 1.085 733 F CA 0.286 58.417 58.000 0.217 0.000 1.028 733 F CB 1.788 40.858 39.000 0.117 0.000 1.177 733 F HN 0.748 nan 8.300 nan 0.000 0.487 734 G N 1.585 110.500 108.800 0.192 0.000 2.544 734 G HA2 0.600 4.560 3.960 -0.000 0.000 0.313 734 G HA3 0.600 4.560 3.960 -0.000 0.000 0.313 734 G C -1.939 172.930 174.900 -0.050 0.000 1.316 734 G CA -0.578 44.349 45.100 -0.287 0.000 0.944 734 G HN 0.490 nan 8.290 nan 0.000 0.489 735 V N 3.340 123.203 119.914 -0.085 0.000 2.588 735 V HA 0.395 4.515 4.120 -0.000 0.000 0.304 735 V C -0.081 175.995 176.094 -0.029 0.000 1.042 735 V CA -0.713 61.579 62.300 -0.014 0.000 0.877 735 V CB 1.905 33.724 31.823 -0.007 0.000 0.996 735 V HN 0.653 nan 8.190 nan 0.000 0.425 736 L N 4.984 126.212 121.223 0.008 0.000 2.268 736 L HA 0.433 4.773 4.340 -0.000 0.000 0.289 736 L C 0.817 177.698 176.870 0.018 0.000 1.064 736 L CA 0.128 54.980 54.840 0.020 0.000 0.824 736 L CB 1.004 43.096 42.059 0.055 0.000 1.202 736 L HN 0.866 nan 8.230 nan 0.000 0.433 737 S N 2.063 117.763 115.700 -0.001 0.000 2.690 737 S HA 0.809 5.279 4.470 -0.000 0.000 0.285 737 S C -0.024 174.577 174.600 0.001 0.000 1.135 737 S CA -0.455 57.740 58.200 -0.009 0.000 1.020 737 S CB 1.903 65.081 63.200 -0.037 0.000 1.159 737 S HN 0.595 nan 8.310 nan 0.000 0.534 738 S N -0.437 115.253 115.700 -0.016 0.000 2.596 738 S HA 0.497 4.967 4.470 -0.000 0.000 0.305 738 S C -1.246 173.297 174.600 -0.097 0.000 1.086 738 S CA -1.232 56.942 58.200 -0.043 0.000 0.909 738 S CB 0.493 63.693 63.200 -0.001 0.000 1.106 738 S HN 1.139 nan 8.310 nan 0.000 0.450 739 R N 2.359 122.786 120.500 -0.122 0.000 2.599 739 R HA 0.709 5.049 4.340 -0.000 0.000 0.295 739 R C -0.526 175.675 176.300 -0.165 0.000 0.963 739 R CA -1.058 54.970 56.100 -0.120 0.000 0.883 739 R CB 0.796 31.047 30.300 -0.082 0.000 1.171 739 R HN 0.529 nan 8.270 nan 0.000 0.450 740 I N 2.994 123.458 120.570 -0.176 0.000 2.587 740 I HA 0.048 4.218 4.170 -0.000 0.000 0.284 740 I C 0.388 176.436 176.117 -0.116 0.000 1.134 740 I CA 0.565 61.764 61.300 -0.169 0.000 1.410 740 I CB 0.059 37.930 38.000 -0.215 0.000 1.392 740 I HN 0.752 nan 8.210 nan 0.000 0.545 741 E N 5.121 125.266 120.200 -0.091 0.000 2.277 741 E HA 0.530 4.880 4.350 -0.000 0.000 0.266 741 E C -0.945 175.622 176.600 -0.054 0.000 0.901 741 E CA -0.901 55.456 56.400 -0.073 0.000 0.782 741 E CB 3.022 32.678 29.700 -0.074 0.000 1.228 741 E HN 0.396 nan 8.360 nan 0.000 0.424 742 V N -0.140 119.747 119.914 -0.045 0.000 2.394 742 V HA 0.288 4.408 4.120 -0.000 0.000 0.282 742 V C -0.076 176.006 176.094 -0.021 0.000 1.031 742 V CA -1.054 61.228 62.300 -0.029 0.000 0.881 742 V CB 1.187 32.993 31.823 -0.028 0.000 0.982 742 V HN 0.653 nan 8.190 nan 0.000 0.451 743 Q N 2.932 122.728 119.800 -0.006 0.000 2.262 743 Q HA 0.061 4.401 4.340 -0.000 0.000 0.298 743 Q C -0.244 175.756 176.000 0.000 0.000 1.083 743 Q CA 0.807 56.611 55.803 0.003 0.000 0.962 743 Q CB 0.237 28.990 28.738 0.026 0.000 1.104 743 Q HN 0.983 nan 8.270 nan 0.000 0.376 744 D N 1.827 122.225 120.400 -0.004 0.000 2.383 744 D HA 0.167 4.807 4.640 -0.000 0.000 0.248 744 D C 0.504 176.806 176.300 0.002 0.000 1.170 744 D CA -0.067 53.930 54.000 -0.004 0.000 0.977 744 D CB 1.078 41.872 40.800 -0.010 0.000 1.120 744 D HN 0.652 nan 8.370 nan 0.000 0.481 745 T N -0.251 114.304 114.554 0.002 0.000 2.665 745 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 745 T C 1.287 175.991 174.700 0.006 0.000 1.035 745 T CA 1.731 63.834 62.100 0.004 0.000 1.151 745 T CB -0.358 68.511 68.868 0.002 0.000 0.862 745 T HN 0.561 nan 8.240 nan 0.000 0.438 746 S N 0.797 116.498 115.700 0.003 0.000 2.121 746 S HA 0.436 4.906 4.470 -0.000 0.000 0.211 746 S C 1.189 175.792 174.600 0.005 0.000 1.316 746 S CA -0.400 57.802 58.200 0.003 0.000 1.061 746 S CB -0.865 62.335 63.200 0.001 0.000 0.831 746 S HN 0.492 nan 8.310 nan 0.000 0.419 747 G N -0.039 108.762 108.800 0.002 0.000 2.484 747 G HA2 0.428 4.388 3.960 -0.000 0.000 0.235 747 G HA3 0.428 4.388 3.960 -0.000 0.000 0.235 747 G C 0.780 175.675 174.900 -0.008 0.000 1.282 747 G CA -0.246 44.854 45.100 -0.001 0.000 0.857 747 G HN 0.834 nan 8.290 nan 0.000 0.571 748 G N 0.798 109.590 108.800 -0.013 0.000 2.713 748 G HA2 0.318 4.278 3.960 -0.000 0.000 0.170 748 G HA3 0.318 4.278 3.960 -0.000 0.000 0.170 748 G C 1.394 176.270 174.900 -0.040 0.000 1.724 748 G CA 2.801 47.888 45.100 -0.022 0.000 0.892 748 G HN 1.977 nan 8.290 nan 0.000 0.376 749 T N -2.210 112.304 114.554 -0.066 0.000 11.382 749 T HA -0.308 4.042 4.350 -0.000 0.000 0.352 749 T C 0.596 175.263 174.700 -0.056 0.000 1.491 749 T CA 2.520 64.575 62.100 -0.075 0.000 1.964 749 T CB -2.235 66.584 68.868 -0.081 0.000 2.276 749 T HN 2.202 nan 8.240 nan 0.000 0.335 750 T N 0.185 114.707 114.554 -0.053 0.000 0.915 750 T HA 0.302 4.652 4.350 -0.000 0.000 0.734 750 T C 0.115 174.784 174.700 -0.052 0.000 0.985 750 T CA 0.736 62.809 62.100 -0.046 0.000 3.878 750 T CB -1.526 67.321 68.868 -0.036 0.000 2.195 750 T HN 2.016 nan 8.240 nan 0.000 0.387 751 A N 3.552 126.339 122.820 -0.055 0.000 2.313 751 A HA 0.775 5.095 4.320 -0.000 0.000 0.261 751 A C 0.629 178.178 177.584 -0.058 0.000 1.090 751 A CA -0.797 51.203 52.037 -0.061 0.000 0.807 751 A CB 0.313 19.276 19.000 -0.062 0.000 1.055 751 A HN 1.192 nan 8.150 nan 0.000 0.492 752 L N -0.295 120.889 121.223 -0.065 0.000 2.307 752 L HA 0.825 5.165 4.340 -0.000 0.000 0.284 752 L C 0.287 177.115 176.870 -0.071 0.000 1.023 752 L CA -0.951 53.850 54.840 -0.064 0.000 0.810 752 L CB 1.195 43.214 42.059 -0.067 0.000 1.231 752 L HN 1.013 nan 8.230 nan 0.000 0.423 753 R N 1.958 122.413 120.500 -0.074 0.000 1.238 753 R HA -0.089 4.251 4.340 -0.000 0.000 0.414 753 R C -2.732 173.521 176.300 -0.079 0.000 1.344 753 R CA -0.020 56.025 56.100 -0.092 0.000 1.242 753 R CB -0.756 29.475 30.300 -0.115 0.000 3.546 753 R HN 0.731 nan 8.270 nan 0.000 0.491 754 P HA 0.142 nan 4.420 nan 0.000 0.275 754 P C -0.697 176.593 177.300 -0.016 0.000 1.227 754 P CA -0.104 62.964 63.100 -0.053 0.000 0.781 754 P CB 1.589 33.257 31.700 -0.054 0.000 0.906 755 S N 0.764 116.473 115.700 0.015 0.000 2.851 755 S HA 0.628 5.098 4.470 -0.000 0.000 0.313 755 S C 1.283 175.883 174.600 0.001 0.000 1.163 755 S CA -0.210 58.045 58.200 0.091 0.000 0.850 755 S CB 0.730 63.968 63.200 0.062 0.000 1.245 755 S HN 0.364 nan 8.310 nan 0.000 0.558 756 A N 0.986 123.776 122.820 -0.051 0.000 2.084 756 A HA -0.023 4.297 4.320 -0.000 0.000 0.221 756 A C 1.990 179.352 177.584 -0.370 0.000 1.161 756 A CA 2.086 53.999 52.037 -0.207 0.000 0.653 756 A CB -1.314 17.557 19.000 -0.216 0.000 0.802 756 A HN 1.274 nan 8.150 nan 0.000 0.457 757 S N -2.264 113.298 115.700 -0.230 0.000 2.524 757 S HA 0.035 4.505 4.470 -0.000 0.000 0.215 757 S C 1.426 175.944 174.600 -0.136 0.000 0.986 757 S CA 0.765 58.836 58.200 -0.215 0.000 0.911 757 S CB -0.127 62.989 63.200 -0.141 0.000 0.805 757 S HN 0.480 nan 8.310 nan 0.000 0.501 758 T N 1.218 115.709 114.554 -0.105 0.000 2.901 758 T HA 0.195 4.545 4.350 -0.000 0.000 0.252 758 T C 1.360 176.030 174.700 -0.050 0.000 1.035 758 T CA 1.096 63.157 62.100 -0.065 0.000 1.142 758 T CB -0.664 68.174 68.868 -0.050 0.000 0.869 758 T HN 0.636 nan 8.240 nan 0.000 0.442 759 Q N 0.985 120.753 119.800 -0.053 0.000 2.431 759 Q HA 0.692 5.031 4.340 -0.000 0.000 0.234 759 Q C -0.022 175.959 176.000 -0.031 0.000 1.203 759 Q CA -0.142 55.647 55.803 -0.024 0.000 0.902 759 Q CB -0.892 27.844 28.738 -0.004 0.000 1.455 759 Q HN 0.676 nan 8.270 nan 0.000 0.515 760 A N 2.982 125.821 122.820 0.033 0.000 2.969 760 A HA 0.519 4.839 4.320 -0.000 0.000 0.303 760 A C -0.857 176.795 177.584 0.114 0.000 1.198 760 A CA -0.477 51.659 52.037 0.165 0.000 0.819 760 A CB 0.431 19.485 19.000 0.090 0.000 1.385 760 A HN 0.765 nan 8.150 nan 0.000 0.479 761 L N 2.362 123.650 121.223 0.109 0.000 2.453 761 L HA 0.437 4.777 4.340 -0.000 0.000 0.272 761 L C 1.072 177.977 176.870 0.058 0.000 1.182 761 L CA 1.852 56.733 54.840 0.068 0.000 0.858 761 L CB 0.368 42.463 42.059 0.061 0.000 1.120 761 L HN 1.761 nan 8.230 nan 0.000 0.474 762 S N 2.409 118.139 115.700 0.050 0.000 3.454 762 S HA -0.095 4.375 4.470 -0.000 0.000 0.508 762 S C -0.233 174.294 174.600 -0.121 0.000 0.738 762 S CA 0.389 58.626 58.200 0.062 0.000 1.383 762 S CB -2.166 61.127 63.200 0.155 0.000 0.945 762 S HN 1.623 nan 8.310 nan 0.000 0.768 763 S N 1.065 116.678 115.700 -0.144 0.000 2.588 763 S HA 0.955 5.424 4.470 -0.000 0.000 0.275 763 S C -0.385 174.189 174.600 -0.042 0.000 1.130 763 S CA -0.115 57.898 58.200 -0.311 0.000 0.855 763 S CB 1.933 65.058 63.200 -0.125 0.000 1.116 763 S HN 2.289 nan 8.310 nan 0.000 0.472 764 S N -0.118 115.641 115.700 0.100 0.000 2.651 764 S HA 0.852 5.322 4.470 -0.000 0.000 0.279 764 S C -1.369 173.428 174.600 0.328 0.000 1.148 764 S CA -0.865 57.541 58.200 0.343 0.000 0.837 764 S CB 1.333 64.876 63.200 0.571 0.000 1.138 764 S HN 1.258 nan 8.310 nan 0.000 0.478 765 V N 1.985 122.073 119.914 0.291 0.000 2.509 765 V HA 0.514 4.634 4.120 -0.000 0.000 0.289 765 V C 0.120 176.393 176.094 0.297 0.000 1.026 765 V CA -0.664 61.705 62.300 0.114 0.000 0.872 765 V CB 1.191 33.023 31.823 0.015 0.000 1.017 765 V HN 1.097 nan 8.190 nan 0.000 0.436 766 S N 2.767 118.789 115.700 0.536 0.000 2.498 766 S HA 0.198 4.668 4.470 -0.000 0.000 0.281 766 S C 0.835 175.586 174.600 0.252 0.000 1.265 766 S CA 0.223 58.713 58.200 0.484 0.000 1.071 766 S CB 0.954 64.555 63.200 0.669 0.000 0.894 766 S HN 1.120 nan 8.310 nan 0.000 0.491 767 S N 1.981 117.797 115.700 0.193 0.000 2.561 767 S HA 0.252 4.722 4.470 -0.000 0.000 0.245 767 S C 0.143 174.821 174.600 0.130 0.000 1.001 767 S CA -0.741 57.542 58.200 0.139 0.000 1.002 767 S CB -0.567 62.698 63.200 0.109 0.000 0.805 767 S HN 0.679 nan 8.310 nan 0.000 0.458 768 S N 3.576 119.363 115.700 0.145 0.000 2.810 768 S HA -0.029 4.441 4.470 -0.000 0.000 0.329 768 S C 1.006 175.659 174.600 0.089 0.000 1.231 768 S CA 0.006 58.269 58.200 0.104 0.000 1.042 768 S CB 0.194 63.457 63.200 0.105 0.000 0.756 768 S HN 0.501 nan 8.310 nan 0.000 0.504 769 K N 2.303 122.732 120.400 0.047 0.000 2.437 769 K HA 0.043 4.363 4.320 -0.000 0.000 0.198 769 K C 0.943 177.542 176.600 -0.001 0.000 1.024 769 K CA -0.025 56.290 56.287 0.047 0.000 1.148 769 K CB -0.278 32.245 32.500 0.038 0.000 0.860 769 K HN 0.508 nan 8.250 nan 0.000 0.515 770 L N -1.230 119.932 121.223 -0.101 0.000 2.456 770 L HA 0.173 4.513 4.340 -0.000 0.000 0.224 770 L C 0.644 177.291 176.870 -0.372 0.000 1.148 770 L CA 0.697 55.370 54.840 -0.278 0.000 0.825 770 L CB -1.669 40.133 42.059 -0.428 0.000 0.937 770 L HN -0.111 nan 8.230 nan 0.000 0.450 771 F N 0.353 120.352 119.950 0.082 0.000 2.432 771 F HA 0.603 5.130 4.527 -0.000 0.000 0.329 771 F C 0.808 176.658 175.800 0.084 0.000 1.076 771 F CA -0.792 57.265 58.000 0.096 0.000 1.018 771 F CB 1.611 40.694 39.000 0.139 0.000 1.201 771 F HN -0.080 nan 8.300 nan 0.000 0.489 772 S N 0.863 116.734 115.700 0.284 0.000 2.596 772 S HA 0.572 5.042 4.470 -0.000 0.000 0.318 772 S C -0.553 174.127 174.600 0.133 0.000 1.097 772 S CA -0.828 57.470 58.200 0.162 0.000 1.080 772 S CB 0.929 64.191 63.200 0.103 0.000 0.991 772 S HN 0.626 nan 8.310 nan 0.000 0.471 773 S N 3.171 118.934 115.700 0.105 0.000 2.624 773 S HA 0.562 5.032 4.470 -0.000 0.000 0.263 773 S C 0.510 175.096 174.600 -0.024 0.000 1.287 773 S CA -0.616 57.614 58.200 0.050 0.000 0.990 773 S CB 0.257 63.488 63.200 0.052 0.000 0.950 773 S HN 1.256 nan 8.310 nan 0.000 0.561 774 S N 0.023 115.649 115.700 -0.123 0.000 2.580 774 S HA 0.218 4.688 4.470 -0.000 0.000 0.274 774 S C 1.012 175.550 174.600 -0.104 0.000 1.329 774 S CA -0.471 57.651 58.200 -0.130 0.000 1.036 774 S CB 0.425 63.492 63.200 -0.221 0.000 0.919 774 S HN 0.704 nan 8.310 nan 0.000 0.515 775 T N 1.341 115.861 114.554 -0.056 0.000 2.821 775 T HA 0.139 4.489 4.350 -0.000 0.000 0.267 775 T C 0.825 175.502 174.700 -0.039 0.000 1.046 775 T CA 1.146 63.225 62.100 -0.034 0.000 1.139 775 T CB -0.329 68.529 68.868 -0.016 0.000 0.871 775 T HN 0.954 nan 8.240 nan 0.000 0.454 776 A N 2.944 125.736 122.820 -0.047 0.000 2.258 776 A HA 0.568 4.888 4.320 -0.000 0.000 0.316 776 A C -2.535 175.009 177.584 -0.068 0.000 1.279 776 A CA -1.996 50.020 52.037 -0.035 0.000 0.876 776 A CB 0.471 19.465 19.000 -0.010 0.000 1.170 776 A HN 0.074 nan 8.150 nan 0.000 0.520 777 P HA -0.071 nan 4.420 nan 0.000 0.250 777 P C 0.009 177.313 177.300 0.006 0.000 1.161 777 P CA 0.615 63.673 63.100 -0.069 0.000 0.863 777 P CB -0.486 31.210 31.700 -0.006 0.000 0.827 778 H N 0.064 119.158 119.070 0.040 0.000 3.262 778 H HA 0.245 4.801 4.556 -0.000 0.000 0.270 778 H C 0.270 175.629 175.328 0.052 0.000 1.431 778 H CA -0.616 55.447 56.048 0.025 0.000 1.237 778 H CB -0.591 29.163 29.762 -0.014 0.000 1.443 778 H HN 0.401 nan 8.280 nan 0.000 0.609 779 E N 1.887 122.216 120.200 0.215 0.000 2.168 779 E HA 0.290 4.640 4.350 -0.000 0.000 0.254 779 E C 0.443 177.117 176.600 0.124 0.000 1.228 779 E CA 0.448 56.956 56.400 0.180 0.000 0.956 779 E CB -0.505 29.269 29.700 0.124 0.000 1.031 779 E HN 0.843 nan 8.360 nan 0.000 0.441 780 T N -0.342 114.280 114.554 0.113 0.000 2.952 780 T HA 0.755 5.105 4.350 -0.000 0.000 0.286 780 T C 1.114 175.856 174.700 0.071 0.000 1.024 780 T CA 0.242 62.380 62.100 0.063 0.000 1.029 780 T CB 0.475 69.354 68.868 0.019 0.000 1.094 780 T HN 1.964 nan 8.240 nan 0.000 0.515 781 S N -0.694 115.036 115.700 0.050 0.000 3.791 781 S HA 0.542 5.012 4.470 -0.000 0.000 0.393 781 S C 1.259 175.889 174.600 0.051 0.000 0.936 781 S CA 0.674 58.904 58.200 0.051 0.000 1.234 781 S CB -2.633 60.606 63.200 0.064 0.000 0.891 781 S HN 2.693 nan 8.310 nan 0.000 0.519 782 F N -2.105 117.870 119.950 0.042 0.000 2.092 782 F HA 0.335 4.862 4.527 -0.000 0.000 0.446 782 F C 1.754 177.583 175.800 0.047 0.000 1.207 782 F CA 0.626 58.648 58.000 0.038 0.000 1.444 782 F CB -1.172 37.846 39.000 0.028 0.000 2.290 782 F HN 2.053 nan 8.300 nan 0.000 0.730 783 G N 0.653 109.479 108.800 0.045 0.000 2.807 783 G HA2 0.564 4.524 3.960 -0.000 0.000 0.207 783 G HA3 0.564 4.524 3.960 -0.000 0.000 0.207 783 G C 0.728 175.654 174.900 0.042 0.000 1.151 783 G CA 2.240 47.371 45.100 0.051 0.000 0.800 783 G HN 2.660 nan 8.290 nan 0.000 0.523 784 E N -1.073 119.148 120.200 0.034 0.000 2.524 784 E HA 0.276 4.626 4.350 -0.000 0.000 0.136 784 E C 0.824 177.435 176.600 0.018 0.000 0.846 784 E CA 0.626 57.041 56.400 0.025 0.000 1.374 784 E CB -0.534 29.177 29.700 0.019 0.000 1.087 784 E HN 0.399 nan 8.360 nan 0.000 0.513 785 E N -1.321 118.891 120.200 0.020 0.000 3.249 785 E HA 0.452 4.802 4.350 -0.000 0.000 0.184 785 E C 0.874 177.481 176.600 0.012 0.000 1.163 785 E CA 0.553 56.961 56.400 0.013 0.000 1.353 785 E CB 1.020 30.727 29.700 0.011 0.000 1.466 785 E HN 0.229 nan 8.360 nan 0.000 0.502 786 V N 1.651 121.576 119.914 0.019 0.000 3.596 786 V HA 0.106 4.226 4.120 -0.000 0.000 0.288 786 V C -0.107 175.999 176.094 0.021 0.000 1.021 786 V CA -0.250 62.059 62.300 0.016 0.000 1.020 786 V CB 1.349 33.184 31.823 0.019 0.000 1.243 786 V HN 0.199 nan 8.190 nan 0.000 0.433 787 E N 0.010 120.220 120.200 0.016 0.000 2.392 787 E HA 0.434 4.784 4.350 -0.000 0.000 0.256 787 E C -1.236 175.395 176.600 0.051 0.000 1.145 787 E CA -0.269 56.138 56.400 0.012 0.000 0.929 787 E CB 0.963 30.656 29.700 -0.012 0.000 0.998 787 E HN 0.380 nan 8.360 nan 0.000 0.442 788 V N 0.979 120.917 119.914 0.039 0.000 2.841 788 V HA 0.153 4.273 4.120 -0.000 0.000 0.310 788 V C -0.186 175.957 176.094 0.081 0.000 1.090 788 V CA -0.905 61.443 62.300 0.080 0.000 0.930 788 V CB 1.698 33.520 31.823 -0.000 0.000 1.014 788 V HN 0.651 nan 8.190 nan 0.000 0.425 789 H N 2.612 121.698 119.070 0.026 0.000 2.730 789 H HA 0.305 4.861 4.556 -0.000 0.000 0.376 789 H C -0.074 175.227 175.328 -0.045 0.000 1.299 789 H CA 0.647 56.703 56.048 0.014 0.000 1.447 789 H CB 1.062 30.856 29.762 0.053 0.000 1.493 789 H HN 0.779 nan 8.280 nan 0.000 0.619 790 N N 1.680 120.391 118.700 0.018 0.000 3.127 790 N HA 0.162 4.902 4.740 -0.000 0.000 0.239 790 N C -2.251 173.232 175.510 -0.044 0.000 1.200 790 N CA -0.274 52.747 53.050 -0.049 0.000 0.924 790 N CB 0.509 38.940 38.487 -0.093 0.000 1.583 790 N HN 0.257 nan 8.380 nan 0.000 0.645 791 L N 3.159 124.366 121.223 -0.027 0.000 2.362 791 L HA 0.697 5.037 4.340 -0.000 0.000 0.275 791 L C -1.122 175.713 176.870 -0.058 0.000 0.998 791 L CA -0.601 54.238 54.840 -0.001 0.000 0.820 791 L CB 1.636 43.731 42.059 0.061 0.000 1.270 791 L HN 0.438 nan 8.230 nan 0.000 0.415 792 L N 2.680 123.867 121.223 -0.059 0.000 2.341 792 L HA 0.622 4.962 4.340 -0.000 0.000 0.254 792 L C -0.512 176.344 176.870 -0.023 0.000 1.040 792 L CA -0.699 54.084 54.840 -0.095 0.000 0.837 792 L CB 1.155 43.139 42.059 -0.126 0.000 1.425 792 L HN 0.379 nan 8.230 nan 0.000 0.414 793 I N 2.137 122.722 120.570 0.024 0.000 2.428 793 I HA 0.617 4.787 4.170 -0.000 0.000 0.296 793 I C -0.781 175.331 176.117 -0.008 0.000 0.985 793 I CA -0.644 60.651 61.300 -0.007 0.000 1.260 793 I CB 1.092 39.047 38.000 -0.075 0.000 1.389 793 I HN 0.649 nan 8.210 nan 0.000 0.484 794 I N 3.088 123.626 120.570 -0.052 0.000 2.892 794 I HA 0.552 4.722 4.170 -0.000 0.000 0.306 794 I C -1.579 174.480 176.117 -0.098 0.000 1.078 794 I CA -0.921 60.387 61.300 0.014 0.000 1.032 794 I CB 2.120 40.171 38.000 0.085 0.000 1.229 794 I HN 0.315 nan 8.210 nan 0.000 0.435 795 D N 3.285 123.637 120.400 -0.079 0.000 2.453 795 D HA 0.410 5.050 4.640 -0.000 0.000 0.238 795 D C -0.701 175.571 176.300 -0.047 0.000 1.088 795 D CA -0.151 53.726 54.000 -0.206 0.000 0.854 795 D CB 1.778 42.283 40.800 -0.493 0.000 1.076 795 D HN 0.422 nan 8.370 nan 0.000 0.533 796 Q N 0.829 120.667 119.800 0.065 0.000 2.230 796 Q HA 0.221 4.561 4.340 -0.000 0.000 0.248 796 Q C 1.026 177.159 176.000 0.222 0.000 0.915 796 Q CA -0.464 55.421 55.803 0.137 0.000 0.900 796 Q CB 1.550 30.345 28.738 0.094 0.000 1.229 796 Q HN 0.462 nan 8.270 nan 0.000 0.439 797 H N 0.792 119.935 119.070 0.122 0.000 3.392 797 H HA -0.069 4.487 4.556 -0.000 0.000 0.304 797 H C -0.028 175.389 175.328 0.149 0.000 0.986 797 H CA 2.092 58.225 56.048 0.141 0.000 1.012 797 H CB 0.589 30.442 29.762 0.152 0.000 1.682 797 H HN 0.644 nan 8.280 nan 0.000 0.978 798 T N -0.779 113.769 114.554 -0.010 0.000 3.484 798 T HA 0.079 4.429 4.350 -0.000 0.000 0.123 798 T C -0.783 173.871 174.700 -0.076 0.000 0.695 798 T CA -0.073 61.918 62.100 -0.182 0.000 0.749 798 T CB -0.584 67.814 68.868 -0.783 0.000 0.945 798 T HN 0.272 nan 8.240 nan 0.000 0.241 799 F N 3.520 123.591 119.950 0.200 0.000 2.538 799 F HA 0.593 5.120 4.527 -0.000 0.000 0.371 799 F C 1.437 177.379 175.800 0.237 0.000 1.087 799 F CA -0.576 57.533 58.000 0.181 0.000 1.250 799 F CB -0.044 39.045 39.000 0.149 0.000 1.110 799 F HN 0.683 nan 8.300 nan 0.000 0.570 800 E N 1.409 121.804 120.200 0.325 0.000 4.280 800 E HA -0.276 4.074 4.350 -0.000 0.000 0.363 800 E C 0.490 177.179 176.600 0.149 0.000 0.588 800 E CA 1.338 57.861 56.400 0.204 0.000 1.520 800 E CB -1.651 28.157 29.700 0.180 0.000 1.861 800 E HN 1.578 nan 8.360 nan 0.000 0.402 801 V N -0.447 119.577 119.914 0.183 0.000 4.374 801 V HA -0.268 3.852 4.120 -0.000 0.000 0.218 801 V C 1.026 177.183 176.094 0.106 0.000 0.599 801 V CA 1.805 64.179 62.300 0.124 0.000 0.843 801 V CB -2.446 29.383 31.823 0.010 0.000 0.841 801 V HN 0.351 nan 8.190 nan 0.000 1.012 802 L N 1.420 122.711 121.223 0.114 0.000 2.483 802 L HA 0.204 4.544 4.340 -0.000 0.000 0.276 802 L C 1.250 178.195 176.870 0.125 0.000 1.213 802 L CA 0.518 55.413 54.840 0.092 0.000 0.843 802 L CB 0.558 42.638 42.059 0.035 0.000 1.107 802 L HN 0.740 nan 8.230 nan 0.000 0.487 803 H N 3.645 122.738 119.070 0.039 0.000 2.723 803 H HA 0.200 4.756 4.556 -0.000 0.000 0.294 803 H C 0.130 175.493 175.328 0.057 0.000 1.079 803 H CA 0.065 56.134 56.048 0.035 0.000 1.411 803 H CB 1.455 31.218 29.762 0.002 0.000 1.439 803 H HN 0.770 nan 8.280 nan 0.000 0.474 804 A N 4.672 127.250 122.820 -0.403 0.000 1.826 804 A HA -0.064 4.256 4.320 -0.000 0.000 0.214 804 A C 0.619 177.944 177.584 -0.432 0.000 1.212 804 A CA 1.128 53.006 52.037 -0.264 0.000 0.605 804 A CB -0.397 18.620 19.000 0.029 0.000 0.861 804 A HN 0.882 nan 8.150 nan 0.000 0.447 805 H N -2.232 116.547 119.070 -0.486 0.000 2.679 805 H HA 0.615 5.171 4.556 -0.000 0.000 0.360 805 H C -0.518 174.823 175.328 0.022 0.000 1.105 805 H CA 0.348 56.279 56.048 -0.194 0.000 1.196 805 H CB 1.111 30.866 29.762 -0.012 0.000 1.636 805 H HN 0.526 nan 8.280 nan 0.000 0.531 806 Q N 3.952 123.677 119.800 -0.126 0.000 2.342 806 Q HA 0.567 4.907 4.340 -0.000 0.000 0.267 806 Q C -1.815 174.159 176.000 -0.043 0.000 1.038 806 Q CA -0.787 55.059 55.803 0.072 0.000 0.832 806 Q CB 1.962 30.765 28.738 0.109 0.000 1.323 806 Q HN 0.654 nan 8.270 nan 0.000 0.448 807 F N 1.986 121.895 119.950 -0.068 0.000 2.585 807 F HA 0.622 5.149 4.527 -0.000 0.000 0.319 807 F C -1.248 174.538 175.800 -0.024 0.000 1.165 807 F CA -0.985 57.000 58.000 -0.024 0.000 0.949 807 F CB 1.478 40.491 39.000 0.021 0.000 1.218 807 F HN 0.644 nan 8.300 nan 0.000 0.453 808 L N 7.116 127.912 121.223 -0.713 0.000 2.313 808 L HA 0.289 4.629 4.340 -0.000 0.000 0.282 808 L C 0.282 176.615 176.870 -0.896 0.000 1.092 808 L CA -0.273 54.208 54.840 -0.597 0.000 0.831 808 L CB 0.519 42.393 42.059 -0.307 0.000 1.159 808 L HN 0.676 nan 8.230 nan 0.000 0.442 809 Q N 2.655 122.143 119.800 -0.519 0.000 2.492 809 Q HA 0.027 4.367 4.340 -0.000 0.000 0.184 809 Q C 0.828 176.763 176.000 -0.108 0.000 1.126 809 Q CA -0.229 55.425 55.803 -0.249 0.000 1.196 809 Q CB 0.053 28.770 28.738 -0.033 0.000 1.240 809 Q HN 0.645 nan 8.270 nan 0.000 0.651 810 N N 1.212 119.932 118.700 0.033 0.000 2.651 810 N HA -0.191 4.549 4.740 -0.000 0.000 0.193 810 N C 0.823 176.358 175.510 0.042 0.000 1.149 810 N CA 1.047 54.152 53.050 0.091 0.000 0.933 810 N CB 0.012 38.596 38.487 0.163 0.000 0.974 810 N HN 0.620 nan 8.380 nan 0.000 0.448 811 E N -1.074 119.106 120.200 -0.033 0.000 4.484 811 E HA -0.282 4.068 4.350 -0.000 0.000 0.162 811 E C -0.251 176.243 176.600 -0.177 0.000 0.911 811 E CA 0.947 57.286 56.400 -0.101 0.000 2.591 811 E CB -1.649 28.008 29.700 -0.072 0.000 1.589 811 E HN 0.567 nan 8.360 nan 0.000 0.602 812 Y N 0.382 120.627 120.300 -0.091 0.000 2.612 812 Y HA 0.566 5.116 4.550 -0.000 0.000 0.250 812 Y C 0.729 176.486 175.900 -0.239 0.000 1.175 812 Y CA 0.192 58.181 58.100 -0.185 0.000 1.205 812 Y CB 1.126 39.403 38.460 -0.304 0.000 1.201 812 Y HN 0.246 nan 8.280 nan 0.000 0.532 813 A N 0.842 123.668 122.820 0.010 0.000 2.366 813 A HA 0.208 4.528 4.320 -0.000 0.000 0.272 813 A C 0.772 178.361 177.584 0.009 0.000 1.135 813 A CA -0.178 51.844 52.037 -0.025 0.000 0.804 813 A CB 0.468 19.482 19.000 0.024 0.000 1.064 813 A HN 0.452 nan 8.150 nan 0.000 0.499 814 L N 2.084 123.296 121.223 -0.018 0.000 2.249 814 L HA 0.031 4.371 4.340 -0.000 0.000 0.207 814 L C 1.084 177.983 176.870 0.048 0.000 1.090 814 L CA 1.899 56.748 54.840 0.015 0.000 0.802 814 L CB -0.948 41.083 42.059 -0.048 0.000 0.947 814 L HN 1.313 nan 8.230 nan 0.000 0.453 815 S N -0.114 115.609 115.700 0.037 0.000 3.232 815 S HA -0.170 4.300 4.470 -0.000 0.000 0.706 815 S C 0.153 174.800 174.600 0.078 0.000 0.765 815 S CA 0.433 58.675 58.200 0.070 0.000 1.402 815 S CB -1.650 61.610 63.200 0.100 0.000 1.062 815 S HN 0.314 nan 8.310 nan 0.000 0.744 816 L N 1.974 123.241 121.223 0.072 0.000 2.817 816 L HA 0.465 4.804 4.340 -0.000 0.000 0.248 816 L C 0.246 177.185 176.870 0.115 0.000 1.133 816 L CA 0.063 54.960 54.840 0.095 0.000 0.935 816 L CB 0.626 42.740 42.059 0.091 0.000 1.266 816 L HN 0.766 nan 8.230 nan 0.000 0.535 817 V N -3.870 116.110 119.914 0.111 0.000 3.012 817 V HA 0.701 4.821 4.120 -0.000 0.000 0.307 817 V C -0.729 175.445 176.094 0.135 0.000 1.166 817 V CA -0.637 61.738 62.300 0.124 0.000 0.974 817 V CB 1.847 33.742 31.823 0.120 0.000 1.040 817 V HN -0.003 nan 8.190 nan 0.000 0.428 818 S N 0.616 116.403 115.700 0.146 0.000 2.549 818 S HA 0.854 5.324 4.470 -0.000 0.000 0.280 818 S C -1.211 173.499 174.600 0.184 0.000 1.109 818 S CA -0.276 58.027 58.200 0.171 0.000 0.905 818 S CB 1.644 64.939 63.200 0.158 0.000 1.081 818 S HN 1.120 nan 8.310 nan 0.000 0.477 819 C N 3.156 122.592 119.300 0.227 0.000 2.811 819 C HA 0.658 5.118 4.460 -0.000 0.000 0.352 819 C C -1.442 173.639 174.990 0.151 0.000 1.098 819 C CA -0.905 58.216 59.018 0.171 0.000 1.295 819 C CB 1.360 29.167 27.740 0.112 0.000 1.758 819 C HN 0.989 nan 8.230 nan 0.000 0.488 820 K N 3.622 124.043 120.400 0.035 0.000 2.307 820 K HA 0.925 5.245 4.320 -0.000 0.000 0.263 820 K C -1.423 175.096 176.600 -0.136 0.000 0.973 820 K CA -0.231 55.959 56.287 -0.161 0.000 0.846 820 K CB 1.066 33.392 32.500 -0.289 0.000 1.100 820 K HN 0.507 nan 8.250 nan 0.000 0.438 821 L N 1.368 122.498 121.223 -0.154 0.000 2.510 821 L HA 0.850 5.190 4.340 -0.000 0.000 0.252 821 L C -0.520 176.288 176.870 -0.103 0.000 1.091 821 L CA -0.420 54.358 54.840 -0.104 0.000 0.888 821 L CB 2.733 44.743 42.059 -0.082 0.000 1.507 821 L HN 0.952 nan 8.230 nan 0.000 0.407 822 G N -0.488 108.266 108.800 -0.076 0.000 2.704 822 G HA2 0.574 4.534 3.960 -0.000 0.000 0.293 822 G HA3 0.574 4.534 3.960 -0.000 0.000 0.293 822 G C -1.009 173.872 174.900 -0.031 0.000 1.421 822 G CA -0.396 44.678 45.100 -0.043 0.000 0.870 822 G HN 0.411 nan 8.290 nan 0.000 0.492 823 K N -0.500 119.923 120.400 0.037 0.000 2.598 823 K HA 0.277 4.597 4.320 -0.000 0.000 0.214 823 K C -0.321 176.398 176.600 0.199 0.000 1.575 823 K CA 0.004 56.361 56.287 0.118 0.000 1.042 823 K CB 1.779 34.390 32.500 0.185 0.000 1.338 823 K HN 0.424 nan 8.250 nan 0.000 0.590 824 D N 0.073 120.621 120.400 0.247 0.000 1.948 824 D HA 0.088 4.728 4.640 -0.000 0.000 0.376 824 D C -1.356 175.041 176.300 0.161 0.000 1.209 824 D CA 0.226 54.338 54.000 0.186 0.000 1.207 824 D CB -0.132 40.780 40.800 0.187 0.000 1.980 824 D HN 0.020 nan 8.370 nan 0.000 0.471 825 P HA 0.196 nan 4.420 nan 0.000 0.199 825 P C -0.166 177.130 177.300 -0.007 0.000 1.059 825 P CA 0.572 63.771 63.100 0.165 0.000 0.723 825 P CB 0.137 32.037 31.700 0.333 0.000 0.680 826 N N -1.405 117.185 118.700 -0.183 0.000 2.643 826 N HA 0.383 5.123 4.740 -0.000 0.000 0.305 826 N C -0.924 174.222 175.510 -0.607 0.000 1.283 826 N CA -0.576 52.236 53.050 -0.397 0.000 0.946 826 N CB -0.577 37.639 38.487 -0.451 0.000 1.149 826 N HN -0.053 nan 8.380 nan 0.000 0.600 827 T N 0.409 114.638 114.554 -0.541 0.000 2.727 827 T HA 0.307 4.657 4.350 -0.000 0.000 0.298 827 T C -0.791 173.568 174.700 -0.568 0.000 0.942 827 T CA -0.108 61.708 62.100 -0.474 0.000 0.997 827 T CB -0.590 68.058 68.868 -0.368 0.000 0.917 827 T HN 0.225 nan 8.240 nan 0.000 0.487 828 Y N 1.154 121.292 120.300 -0.271 0.000 2.453 828 Y HA 0.534 5.084 4.550 -0.000 0.000 0.326 828 Y C 0.051 175.799 175.900 -0.254 0.000 1.186 828 Y CA -1.472 56.498 58.100 -0.217 0.000 1.200 828 Y CB 1.107 39.425 38.460 -0.236 0.000 1.247 828 Y HN 0.556 nan 8.280 nan 0.000 0.482 829 F N 2.837 122.911 119.950 0.207 0.000 2.361 829 F HA 0.463 4.990 4.527 -0.000 0.000 0.364 829 F C -0.499 175.442 175.800 0.234 0.000 1.120 829 F CA -0.528 57.577 58.000 0.174 0.000 1.102 829 F CB 0.553 39.643 39.000 0.150 0.000 1.183 829 F HN 0.157 nan 8.300 nan 0.000 0.476 830 I N 4.550 125.310 120.570 0.317 0.000 2.377 830 I HA 0.428 4.598 4.170 -0.000 0.000 0.293 830 I C -0.816 175.435 176.117 0.223 0.000 0.987 830 I CA -0.886 60.522 61.300 0.180 0.000 1.185 830 I CB 1.707 39.714 38.000 0.012 0.000 1.341 830 I HN 0.140 nan 8.210 nan 0.000 0.455 831 V N 4.762 124.818 119.914 0.237 0.000 2.444 831 V HA 0.535 4.655 4.120 -0.000 0.000 0.294 831 V C 0.422 176.609 176.094 0.154 0.000 1.022 831 V CA -0.560 61.885 62.300 0.241 0.000 0.850 831 V CB 1.750 33.806 31.823 0.388 0.000 0.992 831 V HN 0.899 nan 8.190 nan 0.000 0.426 832 G N 2.442 111.311 108.800 0.115 0.000 2.475 832 G HA2 0.432 4.392 3.960 -0.000 0.000 0.322 832 G HA3 0.432 4.392 3.960 -0.000 0.000 0.322 832 G C -0.024 174.914 174.900 0.063 0.000 1.044 832 G CA -0.068 45.075 45.100 0.070 0.000 1.047 832 G HN 0.566 nan 8.290 nan 0.000 0.436 833 T N 1.109 115.704 114.554 0.069 0.000 2.882 833 T HA 0.505 4.855 4.350 -0.000 0.000 0.287 833 T C 1.351 176.046 174.700 -0.008 0.000 1.014 833 T CA 0.461 62.597 62.100 0.060 0.000 1.049 833 T CB 1.293 70.225 68.868 0.108 0.000 1.001 833 T HN 0.566 nan 8.240 nan 0.000 0.525 834 A N 2.731 125.526 122.820 -0.040 0.000 1.982 834 A HA 0.520 4.840 4.320 -0.000 0.000 0.217 834 A C 0.531 178.031 177.584 -0.139 0.000 1.457 834 A CA 0.191 52.162 52.037 -0.110 0.000 0.654 834 A CB -0.026 18.909 19.000 -0.107 0.000 1.150 834 A HN 0.721 nan 8.150 nan 0.000 0.509 835 M N -0.648 118.838 119.600 -0.189 0.000 2.995 835 M HA -0.094 4.386 4.480 -0.000 0.000 0.191 835 M C -0.969 175.060 176.300 -0.451 0.000 1.069 835 M CA 0.027 55.111 55.300 -0.359 0.000 0.748 835 M CB -2.198 30.169 32.600 -0.390 0.000 1.622 835 M HN 0.126 nan 8.290 nan 0.000 0.747 836 V N 2.674 122.332 119.914 -0.427 0.000 2.406 836 V HA 0.335 4.455 4.120 -0.000 0.000 0.272 836 V C 0.020 175.689 176.094 -0.708 0.000 1.043 836 V CA -0.177 61.891 62.300 -0.387 0.000 0.915 836 V CB 1.094 32.782 31.823 -0.224 0.000 0.988 836 V HN 0.385 nan 8.190 nan 0.000 0.466 837 Y N 6.753 126.820 120.300 -0.387 0.000 2.330 837 Y HA 0.327 4.877 4.550 -0.000 0.000 0.336 837 Y C -0.993 174.682 175.900 -0.376 0.000 1.036 837 Y CA -2.047 55.716 58.100 -0.561 0.000 1.125 837 Y CB 1.050 39.207 38.460 -0.504 0.000 1.194 837 Y HN 0.471 nan 8.280 nan 0.000 0.469 838 P HA -0.386 nan 4.420 nan 0.000 0.231 838 P C 0.701 177.960 177.300 -0.067 0.000 1.032 838 P CA 3.109 66.156 63.100 -0.088 0.000 1.048 838 P CB 0.389 32.067 31.700 -0.036 0.000 0.731 839 E N -4.721 115.439 120.200 -0.066 0.000 1.267 839 E HA -0.058 4.292 4.350 -0.000 0.000 0.216 839 E C -0.708 175.842 176.600 -0.084 0.000 1.056 839 E CA 0.039 56.387 56.400 -0.086 0.000 1.112 839 E CB -0.802 28.808 29.700 -0.149 0.000 4.705 839 E HN 0.178 nan 8.360 nan 0.000 0.674 840 E N 0.238 120.396 120.200 -0.071 0.000 2.183 840 E HA 0.615 4.965 4.350 -0.000 0.000 0.271 840 E C 0.131 176.714 176.600 -0.029 0.000 0.919 840 E CA 0.424 56.795 56.400 -0.048 0.000 0.781 840 E CB 1.736 31.411 29.700 -0.042 0.000 1.140 840 E HN 0.310 nan 8.360 nan 0.000 0.402 841 A N 2.602 125.411 122.820 -0.019 0.000 1.897 841 A HA -0.043 4.277 4.320 -0.000 0.000 0.215 841 A C 0.763 178.351 177.584 0.006 0.000 1.181 841 A CA 0.990 53.022 52.037 -0.008 0.000 0.620 841 A CB -0.037 18.960 19.000 -0.005 0.000 0.821 841 A HN 0.510 nan 8.150 nan 0.000 0.443 842 E N 0.435 120.641 120.200 0.011 0.000 2.249 842 E HA 0.461 4.811 4.350 -0.000 0.000 0.280 842 E C -2.657 173.957 176.600 0.023 0.000 1.016 842 E CA -2.250 54.167 56.400 0.028 0.000 0.830 842 E CB 1.066 30.784 29.700 0.030 0.000 1.081 842 E HN 0.248 nan 8.360 nan 0.000 0.395 843 P HA 0.404 nan 4.420 nan 0.000 0.298 843 P C -1.150 176.159 177.300 0.016 0.000 1.314 843 P CA -0.670 62.433 63.100 0.005 0.000 0.854 843 P CB 1.142 32.820 31.700 -0.038 0.000 1.019 844 K N 1.732 122.150 120.400 0.031 0.000 3.278 844 K HA 0.256 4.576 4.320 -0.000 0.000 0.200 844 K C -0.421 176.225 176.600 0.077 0.000 1.107 844 K CA -0.065 56.251 56.287 0.049 0.000 0.923 844 K CB 0.717 33.247 32.500 0.049 0.000 0.787 844 K HN 0.412 nan 8.250 nan 0.000 0.481 845 Q N 0.218 120.059 119.800 0.067 0.000 3.782 845 Q HA 0.138 4.478 4.340 -0.000 0.000 0.173 845 Q C -0.400 175.666 176.000 0.110 0.000 0.841 845 Q CA -0.454 55.426 55.803 0.129 0.000 0.810 845 Q CB 1.441 30.230 28.738 0.086 0.000 1.481 845 Q HN 0.503 nan 8.270 nan 0.000 0.465 846 G N 1.235 110.120 108.800 0.142 0.000 2.570 846 G HA2 0.597 4.557 3.960 -0.000 0.000 0.276 846 G HA3 0.597 4.557 3.960 -0.000 0.000 0.276 846 G C -0.497 174.546 174.900 0.239 0.000 1.346 846 G CA -0.078 45.095 45.100 0.122 0.000 1.034 846 G HN 0.402 nan 8.290 nan 0.000 0.512 847 R N -1.369 119.224 120.500 0.156 0.000 2.808 847 R HA 0.258 4.598 4.340 -0.000 0.000 0.254 847 R C -1.750 174.589 176.300 0.064 0.000 1.145 847 R CA -0.549 55.641 56.100 0.150 0.000 1.066 847 R CB 0.910 31.364 30.300 0.256 0.000 1.268 847 R HN 0.420 nan 8.270 nan 0.000 0.447 848 I N 4.796 125.360 120.570 -0.010 0.000 2.355 848 I HA 0.398 4.568 4.170 -0.000 0.000 0.288 848 I C -0.540 175.526 176.117 -0.086 0.000 0.999 848 I CA -0.958 60.304 61.300 -0.064 0.000 1.163 848 I CB 1.958 39.844 38.000 -0.189 0.000 1.316 848 I HN 0.214 nan 8.210 nan 0.000 0.454 849 V N 7.188 127.059 119.914 -0.072 0.000 2.448 849 V HA 0.387 4.507 4.120 -0.000 0.000 0.295 849 V C -0.055 175.813 176.094 -0.376 0.000 1.025 849 V CA -0.767 61.393 62.300 -0.234 0.000 0.859 849 V CB 2.012 33.698 31.823 -0.228 0.000 0.988 849 V HN 0.374 nan 8.190 nan 0.000 0.431 850 V N 5.087 124.723 119.914 -0.463 0.000 2.407 850 V HA 0.548 4.668 4.120 -0.000 0.000 0.278 850 V C -0.474 175.331 176.094 -0.483 0.000 1.037 850 V CA -0.379 61.678 62.300 -0.405 0.000 0.900 850 V CB 0.912 32.448 31.823 -0.478 0.000 0.983 850 V HN 0.634 nan 8.190 nan 0.000 0.459 851 F N 1.962 121.959 119.950 0.077 0.000 2.556 851 F HA 0.631 5.158 4.527 -0.000 0.000 0.327 851 F C 0.259 176.233 175.800 0.290 0.000 1.059 851 F CA -0.617 57.462 58.000 0.132 0.000 0.953 851 F CB 1.892 40.948 39.000 0.093 0.000 1.227 851 F HN 0.305 nan 8.300 nan 0.000 0.478 852 Q N 2.329 122.385 119.800 0.427 0.000 2.292 852 Q HA 0.222 4.562 4.340 -0.000 0.000 0.270 852 Q C -2.036 174.093 176.000 0.214 0.000 1.024 852 Q CA -0.718 55.238 55.803 0.255 0.000 0.768 852 Q CB 2.372 31.221 28.738 0.186 0.000 1.250 852 Q HN 0.748 nan 8.270 nan 0.000 0.447 853 Y N 2.156 122.493 120.300 0.061 0.000 2.360 853 Y HA 0.624 5.174 4.550 -0.000 0.000 0.337 853 Y C -1.028 174.863 175.900 -0.015 0.000 1.039 853 Y CA -0.284 57.834 58.100 0.029 0.000 1.109 853 Y CB 1.365 39.907 38.460 0.138 0.000 1.201 853 Y HN 0.572 nan 8.280 nan 0.000 0.458 854 S N 2.462 117.613 115.700 -0.915 0.000 2.556 854 S HA 0.305 4.775 4.470 -0.000 0.000 0.280 854 S C -1.285 172.881 174.600 -0.722 0.000 1.141 854 S CA -0.882 56.798 58.200 -0.866 0.000 0.883 854 S CB 1.453 64.436 63.200 -0.361 0.000 1.103 854 S HN 0.754 nan 8.310 nan 0.000 0.453 855 D N 0.975 121.067 120.400 -0.515 0.000 2.708 855 D HA -0.022 4.618 4.640 -0.000 0.000 0.236 855 D C 1.295 177.530 176.300 -0.108 0.000 1.146 855 D CA 2.359 56.238 54.000 -0.202 0.000 0.662 855 D CB -1.488 39.241 40.800 -0.119 0.000 1.059 855 D HN 1.827 nan 8.370 nan 0.000 0.428 856 G N -1.812 106.959 108.800 -0.047 0.000 2.220 856 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.269 856 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.269 856 G C 0.556 175.587 174.900 0.218 0.000 0.977 856 G CA 1.080 46.355 45.100 0.291 0.000 0.634 856 G HN 1.051 nan 8.290 nan 0.000 0.539 857 K N 0.613 120.996 120.400 -0.027 0.000 2.276 857 K HA 0.767 5.087 4.320 -0.000 0.000 0.285 857 K C -0.124 176.398 176.600 -0.130 0.000 1.062 857 K CA -0.252 56.006 56.287 -0.049 0.000 0.918 857 K CB 1.277 33.746 32.500 -0.050 0.000 1.055 857 K HN 0.875 nan 8.250 nan 0.000 0.477 858 L N 3.278 124.331 121.223 -0.284 0.000 2.316 858 L HA 0.411 4.751 4.340 -0.000 0.000 0.280 858 L C -0.686 176.124 176.870 -0.100 0.000 1.006 858 L CA -0.374 54.303 54.840 -0.272 0.000 0.836 858 L CB 1.591 43.147 42.059 -0.839 0.000 1.221 858 L HN 0.985 nan 8.230 nan 0.000 0.418 859 Q N 3.291 123.130 119.800 0.065 0.000 2.333 859 Q HA 0.318 4.658 4.340 -0.000 0.000 0.265 859 Q C -0.875 175.236 176.000 0.184 0.000 0.989 859 Q CA -0.556 55.312 55.803 0.108 0.000 0.842 859 Q CB 1.527 30.315 28.738 0.084 0.000 1.262 859 Q HN 0.669 nan 8.270 nan 0.000 0.451 860 T N 4.082 118.708 114.554 0.121 0.000 2.759 860 T HA 0.036 4.386 4.350 -0.000 0.000 0.273 860 T C 1.165 175.821 174.700 -0.072 0.000 0.938 860 T CA -0.223 61.827 62.100 -0.082 0.000 1.197 860 T CB 0.351 69.206 68.868 -0.022 0.000 0.887 860 T HN 0.443 nan 8.240 nan 0.000 0.540 861 V N 2.615 122.466 119.914 -0.105 0.000 2.284 861 V HA 0.216 4.336 4.120 -0.000 0.000 0.236 861 V C 1.424 177.508 176.094 -0.017 0.000 1.044 861 V CA 1.461 63.765 62.300 0.006 0.000 1.019 861 V CB -0.599 31.272 31.823 0.080 0.000 0.657 861 V HN 0.928 nan 8.190 nan 0.000 0.465 862 A N -0.850 121.941 122.820 -0.048 0.000 2.468 862 A HA 0.821 5.141 4.320 -0.000 0.000 0.270 862 A C -0.538 176.990 177.584 -0.094 0.000 1.217 862 A CA -0.402 51.631 52.037 -0.007 0.000 0.908 862 A CB 1.876 20.991 19.000 0.190 0.000 1.423 862 A HN 0.436 nan 8.150 nan 0.000 0.459 863 E N -1.564 118.602 120.200 -0.056 0.000 2.401 863 E HA 0.497 4.847 4.350 -0.000 0.000 0.283 863 E C -1.933 174.632 176.600 -0.057 0.000 1.053 863 E CA -0.481 55.871 56.400 -0.079 0.000 0.842 863 E CB 1.509 31.169 29.700 -0.067 0.000 1.222 863 E HN 0.502 nan 8.360 nan 0.000 0.429 864 K N 2.077 122.434 120.400 -0.072 0.000 2.581 864 K HA 0.249 4.569 4.320 -0.000 0.000 0.249 864 K C -1.674 174.914 176.600 -0.020 0.000 0.966 864 K CA -0.522 55.736 56.287 -0.048 0.000 0.811 864 K CB 1.708 34.150 32.500 -0.096 0.000 1.223 864 K HN 0.438 nan 8.250 nan 0.000 0.438 865 E N 3.395 123.593 120.200 -0.004 0.000 2.316 865 E HA 0.265 4.615 4.350 -0.000 0.000 0.275 865 E C -0.756 175.906 176.600 0.103 0.000 1.029 865 E CA -0.547 55.870 56.400 0.027 0.000 0.871 865 E CB 0.733 30.392 29.700 -0.070 0.000 1.022 865 E HN 0.358 nan 8.360 nan 0.000 0.418 866 V N 4.144 124.147 119.914 0.148 0.000 3.093 866 V HA 0.228 4.348 4.120 -0.000 0.000 0.320 866 V C 0.425 176.619 176.094 0.167 0.000 1.093 866 V CA -0.739 61.660 62.300 0.165 0.000 1.016 866 V CB 1.771 33.691 31.823 0.160 0.000 1.096 866 V HN 0.770 nan 8.190 nan 0.000 0.452 867 K N 0.497 120.983 120.400 0.142 0.000 2.493 867 K HA 0.555 4.875 4.320 -0.000 0.000 0.207 867 K C 0.476 177.136 176.600 0.100 0.000 1.033 867 K CA 0.225 56.590 56.287 0.130 0.000 1.161 867 K CB 0.593 33.161 32.500 0.114 0.000 0.873 867 K HN 0.772 nan 8.250 nan 0.000 0.491 868 G N 0.879 109.727 108.800 0.079 0.000 3.198 868 G HA2 0.591 4.551 3.960 -0.000 0.000 0.166 868 G HA3 0.591 4.551 3.960 -0.000 0.000 0.166 868 G C -1.515 173.357 174.900 -0.048 0.000 1.134 868 G CA -0.328 44.788 45.100 0.026 0.000 0.941 868 G HN 0.163 nan 8.290 nan 0.000 0.639 869 A N 0.189 122.912 122.820 -0.161 0.000 2.651 869 A HA 0.572 4.892 4.320 -0.000 0.000 0.290 869 A C -0.448 176.831 177.584 -0.508 0.000 1.185 869 A CA -0.379 51.441 52.037 -0.361 0.000 0.746 869 A CB 1.081 19.760 19.000 -0.535 0.000 1.213 869 A HN 1.221 nan 8.150 nan 0.000 0.429 870 V N 3.913 123.686 119.914 -0.236 0.000 2.459 870 V HA -0.111 4.009 4.120 -0.000 0.000 0.255 870 V C 0.999 177.023 176.094 -0.116 0.000 1.015 870 V CA 0.900 63.131 62.300 -0.115 0.000 1.163 870 V CB -2.014 29.801 31.823 -0.013 0.000 1.109 870 V HN 0.897 nan 8.190 nan 0.000 0.473 871 Y N 2.448 122.758 120.300 0.016 0.000 2.263 871 Y HA -0.042 4.508 4.550 -0.000 0.000 0.292 871 Y C 1.606 177.508 175.900 0.002 0.000 1.130 871 Y CA 0.971 59.062 58.100 -0.016 0.000 1.179 871 Y CB 0.410 38.823 38.460 -0.079 0.000 0.998 871 Y HN 0.758 nan 8.280 nan 0.000 0.532 872 S N -1.000 114.802 115.700 0.170 0.000 2.638 872 S HA 0.728 5.198 4.470 -0.000 0.000 0.274 872 S C -1.051 173.619 174.600 0.115 0.000 1.157 872 S CA -1.045 57.237 58.200 0.137 0.000 0.826 872 S CB 2.344 65.630 63.200 0.143 0.000 1.139 872 S HN 0.051 nan 8.310 nan 0.000 0.474 873 M N 1.099 120.769 119.600 0.115 0.000 2.484 873 M HA 0.662 5.142 4.480 -0.000 0.000 0.289 873 M C -1.763 174.604 176.300 0.112 0.000 1.206 873 M CA -0.697 54.667 55.300 0.107 0.000 0.892 873 M CB 2.583 35.239 32.600 0.094 0.000 1.712 873 M HN 0.564 nan 8.290 nan 0.000 0.462 874 V N 0.537 120.519 119.914 0.113 0.000 2.888 874 V HA 0.335 4.455 4.120 -0.000 0.000 0.309 874 V C -0.444 175.738 176.094 0.147 0.000 1.114 874 V CA -0.810 61.566 62.300 0.126 0.000 0.940 874 V CB 2.137 34.036 31.823 0.126 0.000 1.021 874 V HN 0.788 nan 8.190 nan 0.000 0.426 875 E N 3.178 123.453 120.200 0.125 0.000 2.406 875 E HA 0.060 4.410 4.350 -0.000 0.000 0.258 875 E C -1.655 175.064 176.600 0.198 0.000 1.043 875 E CA 0.114 56.581 56.400 0.110 0.000 0.929 875 E CB 0.460 30.192 29.700 0.053 0.000 0.969 875 E HN 0.480 nan 8.360 nan 0.000 0.462 876 F N 5.224 125.176 119.950 0.004 0.000 2.610 876 F HA 0.248 4.775 4.527 -0.000 0.000 0.355 876 F C 0.200 175.966 175.800 -0.058 0.000 1.140 876 F CA -0.987 57.008 58.000 -0.008 0.000 1.037 876 F CB 0.120 39.134 39.000 0.024 0.000 1.287 876 F HN 0.603 nan 8.300 nan 0.000 0.457 877 N N 3.776 122.190 118.700 -0.476 0.000 2.678 877 N HA -0.222 4.518 4.740 -0.000 0.000 0.249 877 N C 0.996 176.337 175.510 -0.281 0.000 1.119 877 N CA 1.302 54.064 53.050 -0.480 0.000 0.718 877 N CB -0.990 37.021 38.487 -0.794 0.000 1.060 877 N HN 1.226 nan 8.380 nan 0.000 0.552 878 G N -3.370 105.340 108.800 -0.150 0.000 2.238 878 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.217 878 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.217 878 G C 0.210 175.100 174.900 -0.015 0.000 0.996 878 G CA 0.661 45.718 45.100 -0.071 0.000 0.632 878 G HN 0.798 nan 8.290 nan 0.000 0.503 879 K N -0.242 120.153 120.400 -0.008 0.000 2.132 879 K HA 0.930 5.250 4.320 -0.000 0.000 0.241 879 K C -0.137 176.548 176.600 0.143 0.000 1.000 879 K CA -0.184 56.157 56.287 0.089 0.000 0.911 879 K CB 1.143 33.706 32.500 0.104 0.000 1.093 879 K HN 1.249 nan 8.250 nan 0.000 0.460 880 L N 1.835 123.158 121.223 0.168 0.000 2.321 880 L HA 0.419 4.759 4.340 -0.000 0.000 0.272 880 L C -0.558 176.454 176.870 0.235 0.000 1.050 880 L CA -0.832 54.101 54.840 0.156 0.000 0.893 880 L CB 0.643 42.739 42.059 0.061 0.000 1.272 880 L HN 0.664 nan 8.230 nan 0.000 0.435 881 L N 4.942 126.302 121.223 0.228 0.000 2.416 881 L HA 0.715 5.055 4.340 -0.000 0.000 0.272 881 L C -0.175 176.794 176.870 0.165 0.000 1.161 881 L CA 0.476 55.433 54.840 0.195 0.000 0.845 881 L CB 0.850 42.941 42.059 0.054 0.000 1.119 881 L HN 0.732 nan 8.230 nan 0.000 0.464 882 A N 3.363 126.297 122.820 0.190 0.000 2.427 882 A HA 0.631 4.951 4.320 -0.000 0.000 0.298 882 A C -0.530 177.124 177.584 0.118 0.000 1.036 882 A CA -0.181 51.956 52.037 0.167 0.000 0.701 882 A CB 1.201 20.343 19.000 0.237 0.000 1.250 882 A HN 0.851 nan 8.150 nan 0.000 0.412 883 S N 2.095 117.848 115.700 0.089 0.000 2.499 883 S HA 0.564 5.034 4.470 -0.000 0.000 0.275 883 S C 0.505 175.167 174.600 0.103 0.000 1.257 883 S CA -0.386 57.863 58.200 0.082 0.000 1.050 883 S CB 0.425 63.679 63.200 0.089 0.000 0.937 883 S HN 0.503 nan 8.310 nan 0.000 0.490 884 I N 2.272 122.897 120.570 0.091 0.000 2.962 884 I HA 0.162 4.332 4.170 -0.000 0.000 0.246 884 I C 1.718 177.868 176.117 0.055 0.000 1.091 884 I CA 0.191 61.529 61.300 0.063 0.000 1.469 884 I CB -0.018 38.036 38.000 0.090 0.000 1.324 884 I HN 0.602 nan 8.210 nan 0.000 0.461 885 N N -0.675 118.089 118.700 0.106 0.000 2.711 885 N HA 0.073 4.813 4.740 -0.000 0.000 0.140 885 N C 1.497 177.098 175.510 0.152 0.000 1.711 885 N CA 0.916 54.067 53.050 0.169 0.000 1.234 885 N CB -0.296 38.265 38.487 0.124 0.000 0.931 885 N HN 0.020 nan 8.380 nan 0.000 0.489 886 S N 0.468 116.237 115.700 0.115 0.000 2.419 886 S HA -0.063 4.407 4.470 -0.000 0.000 0.233 886 S C 1.080 175.721 174.600 0.069 0.000 1.016 886 S CA 0.997 59.251 58.200 0.091 0.000 0.974 886 S CB -0.952 62.302 63.200 0.090 0.000 0.786 886 S HN 0.609 nan 8.310 nan 0.000 0.492 887 T N 0.021 114.608 114.554 0.056 0.000 2.909 887 T HA 0.646 4.996 4.350 -0.000 0.000 0.286 887 T C -0.512 174.156 174.700 -0.053 0.000 1.002 887 T CA -0.842 61.234 62.100 -0.040 0.000 1.074 887 T CB 1.646 70.485 68.868 -0.049 0.000 0.984 887 T HN -0.013 nan 8.240 nan 0.000 0.495 888 V N 3.127 122.962 119.914 -0.131 0.000 2.350 888 V HA 0.497 4.617 4.120 -0.000 0.000 0.285 888 V C 0.355 176.366 176.094 -0.138 0.000 1.014 888 V CA -0.847 61.368 62.300 -0.142 0.000 0.831 888 V CB 0.927 32.595 31.823 -0.258 0.000 1.000 888 V HN 0.891 nan 8.190 nan 0.000 0.433 889 R N 3.278 123.766 120.500 -0.021 0.000 2.598 889 R HA 0.497 4.837 4.340 -0.000 0.000 0.279 889 R C 0.553 176.952 176.300 0.166 0.000 0.984 889 R CA -0.668 55.435 56.100 0.005 0.000 0.999 889 R CB 1.322 31.523 30.300 -0.165 0.000 1.114 889 R HN 0.607 nan 8.270 nan 0.000 0.493 890 L N 2.567 123.896 121.223 0.177 0.000 2.286 890 L HA 0.203 4.543 4.340 -0.000 0.000 0.203 890 L C -0.511 176.509 176.870 0.251 0.000 1.068 890 L CA 0.933 55.940 54.840 0.278 0.000 0.811 890 L CB -0.155 42.035 42.059 0.219 0.000 0.989 890 L HN 0.754 nan 8.230 nan 0.000 0.467 891 Y N 1.130 121.522 120.300 0.154 0.000 2.552 891 Y HA -0.293 4.257 4.550 -0.000 0.000 0.031 891 Y C 0.396 176.376 175.900 0.133 0.000 1.743 891 Y CA 0.673 58.850 58.100 0.129 0.000 1.386 891 Y CB -0.373 38.157 38.460 0.116 0.000 2.033 891 Y HN 0.354 nan 8.280 nan 0.000 0.261 892 E N 2.857 123.249 120.200 0.319 0.000 2.336 892 E HA 0.408 4.758 4.350 -0.000 0.000 0.267 892 E C -1.470 175.313 176.600 0.305 0.000 0.906 892 E CA -1.017 55.531 56.400 0.247 0.000 0.781 892 E CB 1.471 31.265 29.700 0.156 0.000 1.261 892 E HN 0.482 nan 8.360 nan 0.000 0.436 893 W N 4.166 125.486 121.300 0.033 0.000 2.463 893 W HA 0.343 5.003 4.660 -0.000 0.000 0.316 893 W C -1.426 175.092 176.519 -0.003 0.000 1.004 893 W CA -0.380 56.964 57.345 -0.003 0.000 1.309 893 W CB 1.292 30.736 29.460 -0.026 0.000 1.288 893 W HN 0.494 nan 8.180 nan 0.000 0.423 894 T N 1.968 116.365 114.554 -0.261 0.000 2.948 894 T HA 0.357 4.707 4.350 -0.000 0.000 0.285 894 T C 0.454 174.898 174.700 -0.426 0.000 1.019 894 T CA -0.508 61.445 62.100 -0.245 0.000 1.013 894 T CB 1.393 70.180 68.868 -0.134 0.000 1.117 894 T HN 0.288 nan 8.240 nan 0.000 0.533 895 T N 1.405 115.806 114.554 -0.256 0.000 2.908 895 T HA 0.160 4.510 4.350 -0.000 0.000 0.325 895 T C 0.533 175.075 174.700 -0.264 0.000 1.092 895 T CA -0.020 61.942 62.100 -0.229 0.000 1.125 895 T CB -0.098 68.695 68.868 -0.123 0.000 1.016 895 T HN 0.843 nan 8.240 nan 0.000 0.550 896 E N -0.589 119.468 120.200 -0.238 0.000 4.028 896 E HA -0.192 4.158 4.350 -0.000 0.000 0.343 896 E C 0.084 176.465 176.600 -0.364 0.000 0.700 896 E CA 1.064 57.327 56.400 -0.229 0.000 1.288 896 E CB -1.758 27.838 29.700 -0.174 0.000 1.677 896 E HN 0.872 nan 8.360 nan 0.000 0.424 897 K N 0.570 120.589 120.400 -0.635 0.000 3.689 897 K HA -0.211 4.109 4.320 -0.000 0.000 0.276 897 K C -0.947 174.999 176.600 -1.090 0.000 0.932 897 K CA 1.306 56.879 56.287 -1.190 0.000 0.758 897 K CB -0.927 31.287 32.500 -0.476 0.000 1.500 897 K HN 0.267 nan 8.250 nan 0.000 0.448 898 D N 0.123 119.968 120.400 -0.923 0.000 2.575 898 D HA 0.244 4.884 4.640 -0.000 0.000 0.236 898 D C -0.731 175.484 176.300 -0.142 0.000 1.075 898 D CA -0.586 53.183 54.000 -0.384 0.000 0.860 898 D CB 2.340 43.026 40.800 -0.190 0.000 1.475 898 D HN -0.013 nan 8.370 nan 0.000 0.474 899 V N 2.762 122.783 119.914 0.177 0.000 2.368 899 V HA 0.259 4.379 4.120 -0.000 0.000 0.266 899 V C -0.149 176.088 176.094 0.239 0.000 1.045 899 V CA -0.154 62.316 62.300 0.283 0.000 0.899 899 V CB 0.537 32.466 31.823 0.176 0.000 1.006 899 V HN 0.423 nan 8.190 nan 0.000 0.470 900 R N 4.426 125.095 120.500 0.282 0.000 2.494 900 R HA 0.431 4.771 4.340 -0.000 0.000 0.305 900 R C -0.526 175.921 176.300 0.246 0.000 0.959 900 R CA -0.451 55.784 56.100 0.225 0.000 0.864 900 R CB 1.650 32.010 30.300 0.099 0.000 1.159 900 R HN 0.678 nan 8.270 nan 0.000 0.446 901 T N 3.170 117.818 114.554 0.156 0.000 2.825 901 T HA 0.033 4.382 4.350 -0.000 0.000 0.270 901 T C 0.387 175.059 174.700 -0.048 0.000 0.919 901 T CA 0.022 62.084 62.100 -0.063 0.000 1.159 901 T CB 0.363 69.186 68.868 -0.076 0.000 0.889 901 T HN 0.550 nan 8.240 nan 0.000 0.565 902 E N 1.234 121.407 120.200 -0.046 0.000 3.601 902 E HA 0.260 4.610 4.350 -0.000 0.000 0.273 902 E C 0.946 177.522 176.600 -0.039 0.000 1.368 902 E CA -0.939 55.458 56.400 -0.006 0.000 1.286 902 E CB 0.577 30.309 29.700 0.054 0.000 1.383 902 E HN 0.851 nan 8.360 nan 0.000 0.746 903 C N 0.131 119.406 119.300 -0.042 0.000 2.775 903 C HA 0.285 4.745 4.460 -0.000 0.000 0.391 903 C C 0.127 175.164 174.990 0.079 0.000 1.295 903 C CA -0.729 58.252 59.018 -0.061 0.000 2.119 903 C CB -0.857 26.744 27.740 -0.233 0.000 2.705 903 C HN 0.547 nan 8.230 nan 0.000 0.710 904 N N -0.486 118.318 118.700 0.174 0.000 2.312 904 N HA 0.519 5.259 4.740 -0.000 0.000 0.296 904 N C -1.119 174.537 175.510 0.243 0.000 1.193 904 N CA -0.518 52.611 53.050 0.133 0.000 0.773 904 N CB 1.151 39.421 38.487 -0.361 0.000 1.435 904 N HN 0.929 nan 8.380 nan 0.000 0.484 905 H N 1.149 120.070 119.070 -0.249 0.000 2.589 905 H HA 0.247 4.803 4.556 -0.000 0.000 0.351 905 H C -0.708 174.392 175.328 -0.381 0.000 1.074 905 H CA -0.214 55.669 56.048 -0.276 0.000 1.203 905 H CB 0.881 30.377 29.762 -0.444 0.000 1.558 905 H HN 0.740 nan 8.280 nan 0.000 0.522 906 Y N 2.401 122.355 120.300 -0.576 0.000 2.483 906 Y HA 0.040 4.590 4.550 -0.000 0.000 0.258 906 Y C 1.147 176.843 175.900 -0.340 0.000 1.083 906 Y CA -0.203 57.709 58.100 -0.315 0.000 1.283 906 Y CB 0.659 39.010 38.460 -0.182 0.000 1.178 906 Y HN 0.455 nan 8.280 nan 0.000 0.515 907 N N 2.353 120.760 118.700 -0.488 0.000 3.050 907 N HA 0.077 4.817 4.740 -0.000 0.000 0.289 907 N C -1.440 174.078 175.510 0.014 0.000 1.209 907 N CA 0.128 53.074 53.050 -0.173 0.000 1.154 907 N CB -0.690 37.720 38.487 -0.128 0.000 1.444 907 N HN 0.249 nan 8.380 nan 0.000 0.529 908 N N 1.044 119.764 118.700 0.034 0.000 2.610 908 N HA 0.323 5.063 4.740 -0.000 0.000 0.264 908 N C 0.661 176.202 175.510 0.051 0.000 1.348 908 N CA -0.491 52.599 53.050 0.066 0.000 0.819 908 N CB 1.420 39.958 38.487 0.085 0.000 1.521 908 N HN 0.010 nan 8.380 nan 0.000 0.497 909 I N -0.037 120.561 120.570 0.047 0.000 2.685 909 I HA 0.094 4.264 4.170 -0.000 0.000 0.251 909 I C 1.673 177.819 176.117 0.047 0.000 1.102 909 I CA 0.704 62.032 61.300 0.048 0.000 1.442 909 I CB 0.092 38.120 38.000 0.046 0.000 1.194 909 I HN 0.365 nan 8.210 nan 0.000 0.448 910 M N 0.135 119.749 119.600 0.024 0.000 2.962 910 M HA 0.302 4.782 4.480 -0.000 0.000 0.242 910 M C 1.029 177.302 176.300 -0.045 0.000 1.396 910 M CA 0.912 56.193 55.300 -0.032 0.000 1.287 910 M CB -0.132 32.407 32.600 -0.102 0.000 1.168 910 M HN 0.201 nan 8.290 nan 0.000 0.557 911 A N 1.513 124.302 122.820 -0.051 0.000 2.734 911 A HA -0.169 4.151 4.320 -0.000 0.000 0.296 911 A C 0.778 178.287 177.584 -0.125 0.000 1.474 911 A CA 0.308 52.322 52.037 -0.038 0.000 0.735 911 A CB -2.199 16.819 19.000 0.029 0.000 1.062 911 A HN 0.395 nan 8.150 nan 0.000 0.463 912 L N -1.321 119.666 121.223 -0.393 0.000 2.270 912 L HA 0.225 4.565 4.340 -0.000 0.000 0.210 912 L C 0.688 177.135 176.870 -0.704 0.000 1.104 912 L CA 1.815 56.196 54.840 -0.764 0.000 0.804 912 L CB -0.106 41.127 42.059 -1.378 0.000 0.937 912 L HN 0.637 nan 8.230 nan 0.000 0.450 913 Y N -1.094 119.224 120.300 0.030 0.000 2.425 913 Y HA 0.635 5.185 4.550 -0.000 0.000 0.344 913 Y C -0.463 175.461 175.900 0.039 0.000 0.969 913 Y CA -1.046 57.085 58.100 0.051 0.000 1.052 913 Y CB 1.248 39.740 38.460 0.054 0.000 1.215 913 Y HN -0.312 nan 8.280 nan 0.000 0.451 914 L N 3.022 124.364 121.223 0.197 0.000 2.381 914 L HA 0.699 5.039 4.340 -0.000 0.000 0.268 914 L C -0.941 176.004 176.870 0.125 0.000 0.997 914 L CA -0.977 53.927 54.840 0.107 0.000 0.818 914 L CB 2.565 44.659 42.059 0.059 0.000 1.310 914 L HN 0.568 nan 8.230 nan 0.000 0.416 915 K N 1.025 121.481 120.400 0.093 0.000 2.588 915 K HA 0.418 4.738 4.320 -0.000 0.000 0.250 915 K C -0.867 175.802 176.600 0.116 0.000 0.972 915 K CA -0.416 55.947 56.287 0.126 0.000 0.821 915 K CB 2.143 34.737 32.500 0.158 0.000 1.249 915 K HN 0.700 nan 8.250 nan 0.000 0.442 916 T N -0.192 114.444 114.554 0.137 0.000 2.945 916 T HA 0.549 4.899 4.350 -0.000 0.000 0.286 916 T C -0.684 174.149 174.700 0.222 0.000 1.025 916 T CA -0.804 61.405 62.100 0.182 0.000 1.039 916 T CB 1.505 70.518 68.868 0.242 0.000 1.068 916 T HN 0.402 nan 8.240 nan 0.000 0.497 917 K N 1.241 121.809 120.400 0.279 0.000 2.652 917 K HA 0.486 4.805 4.320 -0.000 0.000 0.249 917 K C 0.757 177.492 176.600 0.226 0.000 0.986 917 K CA 0.123 56.542 56.287 0.219 0.000 0.867 917 K CB 0.792 33.420 32.500 0.214 0.000 1.201 917 K HN 1.188 nan 8.250 nan 0.000 0.450 918 G N 4.239 113.117 108.800 0.131 0.000 2.596 918 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.304 918 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.304 918 G C 0.272 175.242 174.900 0.116 0.000 1.189 918 G CA 0.658 45.776 45.100 0.031 0.000 0.986 918 G HN 0.697 nan 8.290 nan 0.000 0.548 919 D N 0.576 120.992 120.400 0.027 0.000 2.349 919 D HA 0.332 4.972 4.640 -0.000 0.000 0.214 919 D C 0.569 177.093 176.300 0.374 0.000 1.063 919 D CA 0.048 54.181 54.000 0.221 0.000 0.847 919 D CB 0.004 40.823 40.800 0.032 0.000 0.933 919 D HN 0.113 nan 8.370 nan 0.000 0.513 920 F N 0.619 120.751 119.950 0.304 0.000 2.375 920 F HA 0.419 4.946 4.527 -0.000 0.000 0.333 920 F C 0.640 176.514 175.800 0.124 0.000 1.104 920 F CA -1.042 57.077 58.000 0.198 0.000 1.149 920 F CB 0.731 39.841 39.000 0.183 0.000 1.190 920 F HN -0.293 nan 8.300 nan 0.000 0.533 921 I N 4.163 124.871 120.570 0.230 0.000 2.468 921 I HA 0.236 4.406 4.170 -0.000 0.000 0.285 921 I C -0.939 175.120 176.117 -0.097 0.000 1.039 921 I CA -0.316 60.980 61.300 -0.005 0.000 1.074 921 I CB 1.702 39.606 38.000 -0.160 0.000 1.228 921 I HN 0.322 nan 8.210 nan 0.000 0.436 922 L N 7.137 128.318 121.223 -0.071 0.000 2.326 922 L HA 0.591 4.931 4.340 -0.000 0.000 0.278 922 L C -0.896 175.920 176.870 -0.089 0.000 1.092 922 L CA -0.549 54.207 54.840 -0.140 0.000 0.810 922 L CB 1.506 43.537 42.059 -0.045 0.000 1.153 922 L HN 0.306 nan 8.230 nan 0.000 0.439 923 V N 3.427 123.276 119.914 -0.108 0.000 2.482 923 V HA 0.357 4.477 4.120 -0.000 0.000 0.295 923 V C 0.430 176.541 176.094 0.029 0.000 1.026 923 V CA -0.653 61.620 62.300 -0.045 0.000 0.856 923 V CB 1.578 33.333 31.823 -0.112 0.000 1.001 923 V HN 0.881 nan 8.190 nan 0.000 0.424 924 G N 2.264 111.155 108.800 0.152 0.000 2.391 924 G HA2 0.388 4.348 3.960 -0.000 0.000 0.305 924 G HA3 0.388 4.348 3.960 -0.000 0.000 0.305 924 G C -0.531 174.492 174.900 0.205 0.000 1.072 924 G CA -0.083 45.179 45.100 0.271 0.000 1.016 924 G HN 0.651 nan 8.290 nan 0.000 0.418 925 D N 2.855 123.329 120.400 0.122 0.000 2.359 925 D HA 0.083 4.722 4.640 -0.000 0.000 0.230 925 D C 1.385 177.747 176.300 0.103 0.000 1.118 925 D CA -0.784 53.257 54.000 0.069 0.000 0.844 925 D CB 1.555 42.384 40.800 0.048 0.000 1.059 925 D HN 0.119 nan 8.370 nan 0.000 0.493 926 L N 4.107 125.383 121.223 0.088 0.000 2.187 926 L HA 0.023 4.363 4.340 -0.000 0.000 0.213 926 L C 1.218 178.237 176.870 0.248 0.000 1.100 926 L CA 1.542 56.494 54.840 0.186 0.000 0.765 926 L CB -0.223 41.895 42.059 0.099 0.000 0.904 926 L HN 0.573 nan 8.230 nan 0.000 0.437 927 M N 0.741 120.432 119.600 0.151 0.000 3.123 927 M HA 0.284 4.764 4.480 -0.000 0.000 0.283 927 M C -0.352 175.974 176.300 0.042 0.000 1.191 927 M CA -0.044 55.359 55.300 0.170 0.000 1.012 927 M CB -0.061 32.622 32.600 0.137 0.000 1.247 927 M HN 0.288 nan 8.290 nan 0.000 0.542 928 R N -0.206 120.268 120.500 -0.043 0.000 2.272 928 R HA -0.026 4.314 4.340 -0.000 0.000 0.275 928 R C -0.844 175.428 176.300 -0.046 0.000 0.880 928 R CA 0.188 56.241 56.100 -0.078 0.000 0.768 928 R CB -1.244 29.036 30.300 -0.033 0.000 1.563 928 R HN 0.372 nan 8.270 nan 0.000 0.331 929 S N -0.559 115.090 115.700 -0.085 0.000 2.959 929 S HA -0.210 4.260 4.470 -0.000 0.000 0.444 929 S C 0.710 175.318 174.600 0.014 0.000 3.165 929 S CA 0.683 58.854 58.200 -0.049 0.000 3.325 929 S CB -0.455 62.671 63.200 -0.123 0.000 0.416 929 S HN 1.595 nan 8.310 nan 0.000 1.450 930 V N -0.085 119.840 119.914 0.020 0.000 2.960 930 V HA 0.935 5.055 4.120 -0.000 0.000 0.315 930 V C -0.818 175.244 176.094 -0.054 0.000 1.087 930 V CA -0.674 61.637 62.300 0.018 0.000 0.982 930 V CB 1.540 33.403 31.823 0.066 0.000 1.039 930 V HN 1.217 nan 8.190 nan 0.000 0.437 931 L N 2.813 123.967 121.223 -0.115 0.000 2.445 931 L HA 0.835 5.175 4.340 -0.000 0.000 0.262 931 L C -1.513 175.187 176.870 -0.283 0.000 0.974 931 L CA -0.757 53.982 54.840 -0.169 0.000 0.822 931 L CB 1.924 43.921 42.059 -0.103 0.000 1.339 931 L HN 0.782 nan 8.230 nan 0.000 0.409 932 L N 3.429 124.451 121.223 -0.335 0.000 2.282 932 L HA 0.698 5.038 4.340 -0.000 0.000 0.288 932 L C -1.073 175.649 176.870 -0.246 0.000 1.033 932 L CA -0.077 54.528 54.840 -0.392 0.000 0.807 932 L CB 1.213 42.942 42.059 -0.549 0.000 1.209 932 L HN 0.702 nan 8.230 nan 0.000 0.423 933 L N 4.453 125.563 121.223 -0.188 0.000 2.354 933 L HA 0.868 5.208 4.340 -0.000 0.000 0.269 933 L C -0.400 176.564 176.870 0.156 0.000 1.005 933 L CA -0.821 53.966 54.840 -0.089 0.000 0.819 933 L CB 1.951 43.852 42.059 -0.264 0.000 1.311 933 L HN 0.733 nan 8.230 nan 0.000 0.423 934 A N 1.539 124.520 122.820 0.268 0.000 2.342 934 A HA 0.508 4.828 4.320 -0.000 0.000 0.323 934 A C -1.564 176.266 177.584 0.410 0.000 1.125 934 A CA -0.386 51.898 52.037 0.411 0.000 0.785 934 A CB 0.933 20.180 19.000 0.410 0.000 1.221 934 A HN 0.621 nan 8.150 nan 0.000 0.463 935 Y N 1.886 122.386 120.300 0.334 0.000 2.336 935 Y HA 0.419 4.969 4.550 -0.000 0.000 0.335 935 Y C 0.154 176.129 175.900 0.126 0.000 1.046 935 Y CA 0.382 58.614 58.100 0.220 0.000 1.198 935 Y CB 0.681 39.351 38.460 0.351 0.000 1.182 935 Y HN 0.573 nan 8.280 nan 0.000 0.502 936 K N 9.212 129.521 120.400 -0.152 0.000 2.263 936 K HA 0.344 4.664 4.320 -0.000 0.000 0.272 936 K C -2.518 173.975 176.600 -0.179 0.000 1.033 936 K CA -1.898 54.346 56.287 -0.073 0.000 0.884 936 K CB 1.151 33.613 32.500 -0.063 0.000 1.107 936 K HN 0.426 nan 8.250 nan 0.000 0.460 937 P HA 0.171 nan 4.420 nan 0.000 0.297 937 P C 0.066 177.375 177.300 0.016 0.000 1.303 937 P CA -0.415 62.759 63.100 0.125 0.000 0.753 937 P CB 0.377 32.181 31.700 0.173 0.000 1.281 938 M N -3.623 115.988 119.600 0.020 0.000 2.875 938 M HA -0.240 4.240 4.480 -0.000 0.000 0.178 938 M C 0.464 176.750 176.300 -0.024 0.000 0.644 938 M CA 1.590 56.889 55.300 -0.002 0.000 0.665 938 M CB -2.775 29.824 32.600 -0.002 0.000 2.406 938 M HN 0.571 nan 8.290 nan 0.000 0.333 939 E N -0.519 119.649 120.200 -0.054 0.000 3.151 939 E HA 0.425 4.775 4.350 -0.000 0.000 0.246 939 E C 0.998 177.505 176.600 -0.154 0.000 1.150 939 E CA 2.109 58.450 56.400 -0.098 0.000 1.806 939 E CB -0.172 29.456 29.700 -0.119 0.000 2.295 939 E HN 0.719 nan 8.360 nan 0.000 1.000 940 G N 1.792 110.427 108.800 -0.275 0.000 2.248 940 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.263 940 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.263 940 G C -0.386 174.243 174.900 -0.452 0.000 1.082 940 G CA 0.596 45.501 45.100 -0.326 0.000 0.863 940 G HN 0.678 nan 8.290 nan 0.000 0.495 941 N N -1.575 116.712 118.700 -0.688 0.000 3.116 941 N HA 0.681 5.421 4.740 -0.000 0.000 0.244 941 N C -0.705 174.487 175.510 -0.530 0.000 1.485 941 N CA -1.466 51.263 53.050 -0.535 0.000 0.884 941 N CB 0.477 38.837 38.487 -0.212 0.000 1.415 941 N HN 0.007 nan 8.380 nan 0.000 0.524 942 F N -0.306 119.595 119.950 -0.082 0.000 2.375 942 F HA 0.417 4.944 4.527 -0.000 0.000 0.333 942 F C 0.869 176.684 175.800 0.025 0.000 1.104 942 F CA -0.197 57.802 58.000 -0.002 0.000 1.149 942 F CB 1.150 40.185 39.000 0.059 0.000 1.190 942 F HN 0.446 nan 8.300 nan 0.000 0.533 943 E N 3.062 123.418 120.200 0.259 0.000 2.281 943 E HA 0.118 4.468 4.350 -0.000 0.000 0.266 943 E C -1.182 175.493 176.600 0.125 0.000 0.893 943 E CA -0.604 55.896 56.400 0.165 0.000 0.798 943 E CB 1.185 30.954 29.700 0.115 0.000 1.245 943 E HN 0.637 nan 8.360 nan 0.000 0.410 944 E N 4.094 124.359 120.200 0.108 0.000 2.465 944 E HA -0.004 4.346 4.350 -0.000 0.000 0.260 944 E C 0.667 177.290 176.600 0.038 0.000 0.980 944 E CA 0.510 56.935 56.400 0.043 0.000 0.927 944 E CB 1.001 30.759 29.700 0.097 0.000 0.934 944 E HN 0.555 nan 8.360 nan 0.000 0.459 945 I N 1.570 122.135 120.570 -0.010 0.000 3.194 945 I HA 0.164 4.334 4.170 -0.000 0.000 0.271 945 I C 0.507 176.602 176.117 -0.037 0.000 1.150 945 I CA 0.236 61.528 61.300 -0.013 0.000 1.440 945 I CB 0.548 38.522 38.000 -0.044 0.000 1.276 945 I HN 0.416 nan 8.210 nan 0.000 0.457 946 A N 0.652 123.422 122.820 -0.083 0.000 2.566 946 A HA 0.708 5.028 4.320 -0.000 0.000 0.297 946 A C -0.985 176.550 177.584 -0.082 0.000 1.059 946 A CA -0.467 51.526 52.037 -0.075 0.000 0.691 946 A CB 1.462 20.389 19.000 -0.121 0.000 1.282 946 A HN 0.093 nan 8.150 nan 0.000 0.401 947 R N 0.700 121.202 120.500 0.003 0.000 2.589 947 R HA 0.475 4.815 4.340 -0.000 0.000 0.293 947 R C -1.196 175.111 176.300 0.012 0.000 0.963 947 R CA -0.592 55.537 56.100 0.048 0.000 0.905 947 R CB 1.425 31.840 30.300 0.190 0.000 1.144 947 R HN 0.837 nan 8.270 nan 0.000 0.459 948 D N 2.559 122.955 120.400 -0.006 0.000 2.351 948 D HA 0.081 4.721 4.640 -0.000 0.000 0.251 948 D C -0.569 175.847 176.300 0.193 0.000 1.137 948 D CA 0.094 54.077 54.000 -0.028 0.000 0.879 948 D CB 0.487 41.260 40.800 -0.046 0.000 1.181 948 D HN 0.104 nan 8.370 nan 0.000 0.448 949 F N 2.511 122.496 119.950 0.059 0.000 2.362 949 F HA 0.296 4.823 4.527 -0.000 0.000 0.311 949 F C 0.977 176.726 175.800 -0.085 0.000 1.161 949 F CA -1.119 56.864 58.000 -0.028 0.000 1.085 949 F CB -0.489 38.477 39.000 -0.057 0.000 1.311 949 F HN 0.681 nan 8.300 nan 0.000 0.524 950 N N -0.694 118.054 118.700 0.080 0.000 4.004 950 N HA -0.152 4.588 4.740 -0.000 0.000 0.308 950 N C -2.908 172.492 175.510 -0.183 0.000 2.168 950 N CA -0.114 52.888 53.050 -0.081 0.000 2.861 950 N CB -0.969 37.459 38.487 -0.097 0.000 0.389 950 N HN 0.256 nan 8.380 nan 0.000 0.708 951 P HA 0.098 nan 4.420 nan 0.000 0.262 951 P C -0.634 176.416 177.300 -0.417 0.000 1.304 951 P CA -0.174 62.739 63.100 -0.312 0.000 0.859 951 P CB 0.049 31.538 31.700 -0.351 0.000 1.310 952 N N 0.595 119.039 118.700 -0.426 0.000 2.356 952 N HA -0.189 4.551 4.740 -0.000 0.000 0.346 952 N C -0.674 174.715 175.510 -0.202 0.000 1.227 952 N CA 0.918 53.755 53.050 -0.356 0.000 0.765 952 N CB -0.011 38.150 38.487 -0.543 0.000 1.007 952 N HN 0.296 nan 8.380 nan 0.000 0.536 953 W N 3.515 124.813 121.300 -0.002 0.000 1.611 953 W HA 0.158 4.818 4.660 -0.000 0.000 0.395 953 W C 0.115 176.670 176.519 0.060 0.000 0.698 953 W CA -0.581 56.784 57.345 0.032 0.000 1.845 953 W CB -0.726 28.742 29.460 0.014 0.000 1.818 953 W HN 0.380 nan 8.180 nan 0.000 0.270 954 M N -0.111 119.659 119.600 0.282 0.000 2.252 954 M HA -0.009 4.471 4.480 -0.000 0.000 0.333 954 M C 1.464 177.783 176.300 0.033 0.000 1.111 954 M CA 0.555 55.970 55.300 0.191 0.000 1.140 954 M CB 0.187 32.916 32.600 0.215 0.000 1.538 954 M HN -0.019 nan 8.290 nan 0.000 0.448 955 S N 0.676 116.240 115.700 -0.227 0.000 2.387 955 S HA 0.581 5.051 4.470 -0.000 0.000 0.221 955 S C 0.463 174.677 174.600 -0.644 0.000 1.041 955 S CA 0.587 58.517 58.200 -0.451 0.000 0.959 955 S CB 0.193 62.857 63.200 -0.893 0.000 0.843 955 S HN 0.927 nan 8.310 nan 0.000 0.488 956 A N -0.280 122.158 122.820 -0.637 0.000 2.599 956 A HA 0.736 5.056 4.320 -0.000 0.000 0.290 956 A C -1.471 175.979 177.584 -0.223 0.000 1.101 956 A CA -0.463 51.160 52.037 -0.689 0.000 0.674 956 A CB 1.300 20.044 19.000 -0.427 0.000 1.277 956 A HN 0.348 nan 8.150 nan 0.000 0.419 957 V N -0.227 119.635 119.914 -0.086 0.000 3.040 957 V HA 0.905 5.025 4.120 -0.000 0.000 0.312 957 V C -1.350 174.767 176.094 0.038 0.000 1.115 957 V CA -0.311 61.977 62.300 -0.020 0.000 0.998 957 V CB 2.180 34.000 31.823 -0.004 0.000 1.042 957 V HN 1.195 nan 8.190 nan 0.000 0.433 958 E N 2.428 122.537 120.200 -0.152 0.000 2.354 958 E HA 0.470 4.820 4.350 -0.000 0.000 0.283 958 E C -1.573 174.999 176.600 -0.046 0.000 0.938 958 E CA -0.409 55.908 56.400 -0.139 0.000 0.777 958 E CB 1.559 30.978 29.700 -0.469 0.000 1.222 958 E HN 0.575 nan 8.360 nan 0.000 0.423 959 I N 5.730 126.371 120.570 0.118 0.000 2.428 959 I HA 0.193 4.363 4.170 -0.000 0.000 0.289 959 I C 0.845 176.995 176.117 0.055 0.000 1.019 959 I CA -0.217 61.166 61.300 0.139 0.000 1.351 959 I CB 0.748 38.886 38.000 0.230 0.000 1.412 959 I HN 0.598 nan 8.210 nan 0.000 0.513 960 L N 3.854 125.003 121.223 -0.123 0.000 2.500 960 L HA 0.266 4.606 4.340 -0.000 0.000 0.219 960 L C -0.337 176.472 176.870 -0.101 0.000 1.057 960 L CA 0.181 54.962 54.840 -0.098 0.000 0.854 960 L CB -0.086 41.848 42.059 -0.207 0.000 1.078 960 L HN 0.751 nan 8.230 nan 0.000 0.480 961 D N -3.183 117.087 120.400 -0.216 0.000 2.725 961 D HA 0.056 4.696 4.640 -0.000 0.000 0.292 961 D C -0.822 175.330 176.300 -0.247 0.000 1.288 961 D CA -0.603 53.300 54.000 -0.162 0.000 0.784 961 D CB 0.286 40.998 40.800 -0.147 0.000 1.308 961 D HN -0.056 nan 8.370 nan 0.000 0.429 962 D N -0.957 119.407 120.400 -0.061 0.000 2.400 962 D HA 0.014 4.654 4.640 -0.000 0.000 0.242 962 D C 0.002 176.220 176.300 -0.136 0.000 1.077 962 D CA 0.477 54.521 54.000 0.072 0.000 0.943 962 D CB -0.054 40.988 40.800 0.403 0.000 0.882 962 D HN 0.330 nan 8.370 nan 0.000 0.529 963 D N -0.853 119.314 120.400 -0.390 0.000 2.415 963 D HA 0.063 4.703 4.640 -0.000 0.000 0.269 963 D C -0.044 175.857 176.300 -0.664 0.000 1.099 963 D CA -0.067 53.707 54.000 -0.376 0.000 0.865 963 D CB 0.301 40.973 40.800 -0.213 0.000 1.359 963 D HN 0.178 nan 8.370 nan 0.000 0.506 964 N N 0.274 118.434 118.700 -0.900 0.000 2.342 964 N HA 0.416 5.156 4.740 -0.000 0.000 0.293 964 N C -1.272 173.599 175.510 -1.064 0.000 1.026 964 N CA -0.324 52.263 53.050 -0.771 0.000 0.857 964 N CB 1.702 39.916 38.487 -0.456 0.000 1.256 964 N HN -0.203 nan 8.380 nan 0.000 0.484 965 F N 1.596 121.460 119.950 -0.144 0.000 2.529 965 F HA 0.435 4.962 4.527 -0.000 0.000 0.320 965 F C -0.111 175.563 175.800 -0.210 0.000 1.118 965 F CA -0.784 57.125 58.000 -0.151 0.000 0.915 965 F CB 1.709 40.643 39.000 -0.111 0.000 1.161 965 F HN 0.113 nan 8.300 nan 0.000 0.445 966 L N 2.642 123.757 121.223 -0.180 0.000 2.296 966 L HA 0.823 5.163 4.340 -0.000 0.000 0.286 966 L C -0.183 176.321 176.870 -0.611 0.000 1.023 966 L CA -0.268 54.317 54.840 -0.425 0.000 0.812 966 L CB 1.352 43.042 42.059 -0.615 0.000 1.223 966 L HN 0.842 nan 8.230 nan 0.000 0.421 967 G N 2.923 111.097 108.800 -1.044 0.000 2.524 967 G HA2 0.727 4.687 3.960 -0.000 0.000 0.310 967 G HA3 0.727 4.687 3.960 -0.000 0.000 0.310 967 G C -1.543 172.703 174.900 -1.089 0.000 1.279 967 G CA -0.429 43.817 45.100 -1.424 0.000 0.974 967 G HN 0.770 nan 8.290 nan 0.000 0.484 968 A N 1.600 124.185 122.820 -0.391 0.000 2.330 968 A HA 0.790 5.110 4.320 -0.000 0.000 0.313 968 A C -0.064 177.463 177.584 -0.096 0.000 1.124 968 A CA -0.634 51.284 52.037 -0.198 0.000 0.774 968 A CB 1.620 20.488 19.000 -0.221 0.000 1.198 968 A HN 0.788 nan 8.150 nan 0.000 0.465 969 E N 2.068 122.283 120.200 0.026 0.000 2.334 969 E HA 0.175 4.525 4.350 -0.000 0.000 0.256 969 E C 0.177 176.677 176.600 -0.168 0.000 0.958 969 E CA -0.551 55.864 56.400 0.024 0.000 0.821 969 E CB 0.362 30.189 29.700 0.212 0.000 1.269 969 E HN 0.571 nan 8.360 nan 0.000 0.413 970 N N 0.293 118.962 118.700 -0.052 0.000 2.503 970 N HA -0.165 4.575 4.740 -0.000 0.000 0.189 970 N C 0.972 176.180 175.510 -0.504 0.000 1.048 970 N CA 1.282 54.283 53.050 -0.082 0.000 0.905 970 N CB -0.382 38.137 38.487 0.053 0.000 0.951 970 N HN 0.452 nan 8.380 nan 0.000 0.446 971 A N -0.189 122.391 122.820 -0.400 0.000 2.278 971 A HA 0.291 4.611 4.320 -0.000 0.000 0.212 971 A C -0.057 177.289 177.584 -0.397 0.000 1.213 971 A CA -0.542 51.236 52.037 -0.432 0.000 0.840 971 A CB -0.982 17.862 19.000 -0.261 0.000 0.866 971 A HN 0.261 nan 8.150 nan 0.000 0.489 972 F N -1.203 118.746 119.950 -0.002 0.000 3.091 972 F HA -0.241 4.286 4.527 -0.000 0.000 0.288 972 F C 0.218 175.835 175.800 -0.304 0.000 0.907 972 F CA 0.449 58.364 58.000 -0.140 0.000 1.028 972 F CB -2.479 36.440 39.000 -0.136 0.000 1.022 972 F HN 0.311 nan 8.300 nan 0.000 0.665 973 N N 0.745 119.354 118.700 -0.152 0.000 2.471 973 N HA 0.863 5.603 4.740 -0.000 0.000 0.288 973 N C -0.376 175.107 175.510 -0.045 0.000 1.220 973 N CA -0.672 52.289 53.050 -0.148 0.000 0.893 973 N CB 1.714 40.045 38.487 -0.260 0.000 1.256 973 N HN 0.125 nan 8.380 nan 0.000 0.534 974 L N 0.685 121.904 121.223 -0.006 0.000 2.381 974 L HA 0.608 4.948 4.340 -0.000 0.000 0.268 974 L C -1.031 175.933 176.870 0.155 0.000 0.997 974 L CA -0.962 53.829 54.840 -0.081 0.000 0.818 974 L CB 1.264 43.146 42.059 -0.294 0.000 1.310 974 L HN 0.520 nan 8.230 nan 0.000 0.416 975 F N 0.489 120.496 119.950 0.094 0.000 2.588 975 F HA 0.885 5.412 4.527 -0.000 0.000 0.314 975 F C -1.016 174.850 175.800 0.110 0.000 1.069 975 F CA -1.253 56.816 58.000 0.116 0.000 0.931 975 F CB 1.402 40.438 39.000 0.061 0.000 1.260 975 F HN -0.009 nan 8.300 nan 0.000 0.465 976 V N 1.755 121.828 119.914 0.265 0.000 2.487 976 V HA 0.438 4.558 4.120 -0.000 0.000 0.298 976 V C -0.356 175.801 176.094 0.105 0.000 1.028 976 V CA -0.694 61.664 62.300 0.097 0.000 0.860 976 V CB 1.331 33.145 31.823 -0.015 0.000 0.991 976 V HN 1.147 nan 8.190 nan 0.000 0.427 977 C N 3.226 122.600 119.300 0.122 0.000 2.328 977 C HA 0.771 5.231 4.460 -0.000 0.000 0.378 977 C C 0.137 175.153 174.990 0.043 0.000 1.249 977 C CA -0.363 58.722 59.018 0.112 0.000 2.204 977 C CB 1.474 29.343 27.740 0.217 0.000 2.218 977 C HN 0.914 nan 8.230 nan 0.000 0.564 978 Q N 0.586 120.384 119.800 -0.003 0.000 2.345 978 Q HA 0.401 4.741 4.340 -0.000 0.000 0.275 978 Q C -0.569 175.407 176.000 -0.039 0.000 1.063 978 Q CA -0.352 55.410 55.803 -0.070 0.000 0.819 978 Q CB 1.416 30.066 28.738 -0.147 0.000 1.356 978 Q HN 0.616 nan 8.270 nan 0.000 0.418 979 K N 1.019 121.401 120.400 -0.031 0.000 2.731 979 K HA 0.530 4.850 4.320 -0.000 0.000 0.284 979 K C -0.746 175.812 176.600 -0.069 0.000 1.027 979 K CA -0.130 56.136 56.287 -0.036 0.000 1.040 979 K CB 0.500 32.985 32.500 -0.026 0.000 1.334 979 K HN 0.814 nan 8.250 nan 0.000 0.498 980 D N -2.172 118.200 120.400 -0.047 0.000 2.959 980 D HA 0.049 4.689 4.640 -0.000 0.000 0.325 980 D C -2.171 174.121 176.300 -0.015 0.000 1.351 980 D CA -0.191 53.785 54.000 -0.040 0.000 0.734 980 D CB 0.389 41.156 40.800 -0.055 0.000 1.303 980 D HN 0.475 nan 8.370 nan 0.000 0.450 981 S N -0.217 115.478 115.700 -0.009 0.000 2.543 981 S HA 0.850 5.320 4.470 -0.000 0.000 0.271 981 S C -1.333 173.269 174.600 0.003 0.000 1.148 981 S CA -0.481 57.722 58.200 0.004 0.000 0.914 981 S CB 1.604 64.813 63.200 0.014 0.000 1.096 981 S HN 0.929 nan 8.310 nan 0.000 0.471 982 A N 1.921 124.747 122.820 0.009 0.000 2.365 982 A HA 0.963 5.283 4.320 -0.000 0.000 0.318 982 A C 0.399 177.991 177.584 0.013 0.000 1.091 982 A CA -0.530 51.513 52.037 0.010 0.000 0.763 982 A CB 1.053 20.062 19.000 0.015 0.000 1.248 982 A HN 1.863 nan 8.150 nan 0.000 0.442 983 A N 1.023 123.849 122.820 0.011 0.000 2.429 983 A HA 0.514 4.834 4.320 -0.000 0.000 0.242 983 A C 0.879 178.471 177.584 0.013 0.000 1.088 983 A CA 0.767 52.811 52.037 0.011 0.000 0.784 983 A CB -0.836 18.170 19.000 0.009 0.000 1.038 983 A HN 2.174 nan 8.150 nan 0.000 0.501 984 T N 1.335 115.896 114.554 0.012 0.000 3.110 984 T HA -0.158 4.192 4.350 -0.000 0.000 0.445 984 T C 1.020 175.728 174.700 0.013 0.000 0.772 984 T CA 1.339 63.446 62.100 0.011 0.000 2.271 984 T CB -2.513 66.361 68.868 0.010 0.000 1.657 984 T HN 1.934 nan 8.240 nan 0.000 0.594 985 T N -1.538 113.025 114.554 0.015 0.000 11.150 985 T HA -0.328 4.022 4.350 -0.000 0.000 0.417 985 T C 0.329 175.040 174.700 0.020 0.000 1.460 985 T CA 1.876 63.986 62.100 0.016 0.000 2.433 985 T CB -1.077 67.799 68.868 0.014 0.000 2.893 985 T HN 0.953 nan 8.240 nan 0.000 1.015 986 D N 2.444 122.855 120.400 0.019 0.000 2.312 986 D HA 0.321 4.961 4.640 -0.000 0.000 0.252 986 D C -0.345 175.973 176.300 0.028 0.000 1.150 986 D CA 0.097 54.111 54.000 0.024 0.000 0.870 986 D CB 0.704 41.517 40.800 0.021 0.000 1.153 986 D HN 0.316 nan 8.370 nan 0.000 0.457 987 E N 2.482 122.704 120.200 0.036 0.000 2.113 987 E HA 0.122 4.472 4.350 -0.000 0.000 0.273 987 E C 0.098 176.732 176.600 0.056 0.000 0.924 987 E CA -0.391 56.033 56.400 0.040 0.000 0.764 987 E CB 1.702 31.426 29.700 0.039 0.000 1.104 987 E HN 0.357 nan 8.360 nan 0.000 0.406 988 E N 2.592 122.823 120.200 0.052 0.000 2.474 988 E HA 0.025 4.375 4.350 -0.000 0.000 0.194 988 E C 1.864 178.486 176.600 0.036 0.000 1.041 988 E CA 0.492 56.936 56.400 0.074 0.000 0.874 988 E CB 0.140 29.885 29.700 0.075 0.000 0.914 988 E HN 0.460 nan 8.360 nan 0.000 0.498 989 R N 0.617 121.128 120.500 0.018 0.000 2.293 989 R HA -0.062 4.277 4.340 -0.000 0.000 0.219 989 R C 1.767 178.065 176.300 -0.002 0.000 1.091 989 R CA 1.596 57.694 56.100 -0.002 0.000 1.004 989 R CB -1.011 29.294 30.300 0.008 0.000 0.865 989 R HN 0.321 nan 8.270 nan 0.000 0.469 990 Q N -1.055 118.764 119.800 0.031 0.000 2.425 990 Q HA 0.045 4.385 4.340 -0.000 0.000 0.204 990 Q C -0.011 176.014 176.000 0.042 0.000 0.933 990 Q CA 0.006 55.836 55.803 0.046 0.000 0.939 990 Q CB 0.279 29.069 28.738 0.086 0.000 1.044 990 Q HN 0.871 nan 8.270 nan 0.000 0.513 991 H N 0.422 119.390 119.070 -0.170 0.000 2.597 991 H HA 0.252 4.808 4.556 -0.000 0.000 0.303 991 H C -0.744 174.362 175.328 -0.371 0.000 1.057 991 H CA -0.586 55.185 56.048 -0.463 0.000 1.261 991 H CB 0.404 29.871 29.762 -0.491 0.000 1.397 991 H HN 0.074 nan 8.280 nan 0.000 0.461 992 L N 5.594 126.603 121.223 -0.356 0.000 2.536 992 L HA -0.009 4.331 4.340 -0.000 0.000 0.282 992 L C 0.367 176.921 176.870 -0.528 0.000 1.174 992 L CA -0.061 54.584 54.840 -0.326 0.000 0.989 992 L CB 0.103 42.041 42.059 -0.201 0.000 1.311 992 L HN 0.609 nan 8.230 nan 0.000 0.455 993 Q N 3.658 123.073 119.800 -0.642 0.000 2.361 993 Q HA 0.013 4.353 4.340 -0.000 0.000 0.276 993 Q C -0.283 175.538 176.000 -0.298 0.000 1.022 993 Q CA 0.296 55.717 55.803 -0.638 0.000 0.898 993 Q CB 0.698 29.157 28.738 -0.464 0.000 1.246 993 Q HN 0.558 nan 8.270 nan 0.000 0.410 994 E N 1.910 121.980 120.200 -0.217 0.000 2.156 994 E HA 0.377 4.727 4.350 -0.000 0.000 0.279 994 E C -0.262 176.291 176.600 -0.078 0.000 0.965 994 E CA -0.565 55.780 56.400 -0.092 0.000 0.789 994 E CB 1.175 30.851 29.700 -0.040 0.000 1.098 994 E HN 0.433 nan 8.360 nan 0.000 0.397 995 V N 0.099 119.980 119.914 -0.054 0.000 3.477 995 V HA 0.471 4.591 4.120 -0.000 0.000 0.297 995 V C 0.495 176.577 176.094 -0.019 0.000 1.433 995 V CA 0.261 62.520 62.300 -0.068 0.000 1.052 995 V CB 0.480 32.225 31.823 -0.130 0.000 0.895 995 V HN 0.630 nan 8.190 nan 0.000 0.438 996 G N 0.999 109.840 108.800 0.069 0.000 2.707 996 G HA2 0.714 4.674 3.960 -0.000 0.000 0.299 996 G HA3 0.714 4.674 3.960 -0.000 0.000 0.299 996 G C -1.429 173.694 174.900 0.370 0.000 1.442 996 G CA -0.594 44.645 45.100 0.232 0.000 1.009 996 G HN 0.213 nan 8.290 nan 0.000 0.515 997 L N 1.436 122.866 121.223 0.345 0.000 2.354 997 L HA 0.792 5.132 4.340 -0.000 0.000 0.269 997 L C -1.238 175.801 176.870 0.281 0.000 1.005 997 L CA -1.051 53.943 54.840 0.256 0.000 0.819 997 L CB 2.583 44.663 42.059 0.035 0.000 1.311 997 L HN 0.504 nan 8.230 nan 0.000 0.423 998 F N 1.574 121.474 119.950 -0.083 0.000 2.651 998 F HA 0.199 4.726 4.527 -0.000 0.000 0.327 998 F C -0.721 174.922 175.800 -0.261 0.000 1.133 998 F CA -0.601 57.200 58.000 -0.332 0.000 1.076 998 F CB 1.082 39.464 39.000 -1.030 0.000 1.315 998 F HN 0.469 nan 8.300 nan 0.000 0.499 999 H N 7.694 126.252 119.070 -0.855 0.000 2.934 999 H HA 0.233 4.789 4.556 -0.000 0.000 0.273 999 H C 0.397 175.023 175.328 -1.171 0.000 1.121 999 H CA 0.099 55.633 56.048 -0.856 0.000 1.451 999 H CB 1.204 30.491 29.762 -0.792 0.000 1.469 999 H HN 0.941 nan 8.280 nan 0.000 0.476 1000 L N 4.229 124.846 121.223 -1.010 0.000 2.007 1000 L HA -0.029 4.311 4.340 -0.000 0.000 0.205 1000 L C 1.556 177.987 176.870 -0.732 0.000 1.073 1000 L CA 1.913 56.363 54.840 -0.650 0.000 0.744 1000 L CB -0.265 41.624 42.059 -0.284 0.000 0.898 1000 L HN 1.005 nan 8.230 nan 0.000 0.435 1001 G N -0.857 107.466 108.800 -0.796 0.000 2.179 1001 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.220 1001 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.220 1001 G C 0.059 174.831 174.900 -0.214 0.000 0.990 1001 G CA -0.048 44.793 45.100 -0.431 0.000 0.646 1001 G HN 0.396 nan 8.290 nan 0.000 0.517 1002 E N -0.964 119.200 120.200 -0.059 0.000 2.339 1002 E HA 0.690 5.040 4.350 -0.000 0.000 0.262 1002 E C -1.356 175.447 176.600 0.339 0.000 0.934 1002 E CA -0.940 55.509 56.400 0.082 0.000 0.802 1002 E CB 1.947 31.710 29.700 0.104 0.000 1.275 1002 E HN 0.165 nan 8.360 nan 0.000 0.427 1003 F N 1.121 121.191 119.950 0.201 0.000 2.426 1003 F HA 0.294 4.821 4.527 -0.000 0.000 0.348 1003 F C -0.765 175.034 175.800 -0.001 0.000 1.124 1003 F CA -0.716 57.397 58.000 0.189 0.000 1.008 1003 F CB 0.982 40.147 39.000 0.274 0.000 1.139 1003 F HN 0.034 nan 8.300 nan 0.000 0.452 1004 V N 6.565 126.171 119.914 -0.513 0.000 2.318 1004 V HA 0.286 4.406 4.120 -0.000 0.000 0.271 1004 V C -0.387 175.407 176.094 -0.500 0.000 1.030 1004 V CA -0.889 61.124 62.300 -0.478 0.000 0.844 1004 V CB 0.518 31.875 31.823 -0.778 0.000 1.015 1004 V HN 0.647 nan 8.190 nan 0.000 0.460 1005 N N 3.432 122.004 118.700 -0.214 0.000 2.524 1005 N HA 0.485 5.225 4.740 -0.000 0.000 0.283 1005 N C -0.048 175.334 175.510 -0.213 0.000 1.142 1005 N CA -0.195 52.767 53.050 -0.148 0.000 0.984 1005 N CB 1.895 40.400 38.487 0.031 0.000 1.155 1005 N HN 0.960 nan 8.380 nan 0.000 0.467 1006 V N -1.585 118.220 119.914 -0.182 0.000 3.666 1006 V HA -0.242 3.878 4.120 -0.000 0.000 0.517 1006 V C -1.107 174.824 176.094 -0.273 0.000 0.682 1006 V CA 0.371 62.598 62.300 -0.122 0.000 2.067 1006 V CB -2.076 29.751 31.823 0.007 0.000 2.480 1006 V HN 0.515 nan 8.190 nan 0.000 0.513 1007 F N 5.046 125.006 119.950 0.017 0.000 2.483 1007 F HA 0.939 5.466 4.527 -0.000 0.000 0.329 1007 F C 0.859 176.678 175.800 0.031 0.000 1.064 1007 F CA 0.237 58.256 58.000 0.032 0.000 0.986 1007 F CB 1.962 40.939 39.000 -0.039 0.000 1.218 1007 F HN 1.342 nan 8.300 nan 0.000 0.484 1008 C N -0.349 119.078 119.300 0.211 0.000 3.302 1008 C HA 0.558 5.018 4.460 -0.000 0.000 0.347 1008 C C -0.831 174.188 174.990 0.049 0.000 1.218 1008 C CA -1.147 57.959 59.018 0.147 0.000 1.234 1008 C CB 0.372 28.215 27.740 0.171 0.000 1.551 1008 C HN 0.898 nan 8.230 nan 0.000 0.501 1009 H N 0.664 119.802 119.070 0.113 0.000 2.581 1009 H HA 0.736 5.292 4.556 -0.000 0.000 0.369 1009 H C 0.982 176.352 175.328 0.069 0.000 1.351 1009 H CA 1.884 57.980 56.048 0.081 0.000 1.434 1009 H CB 0.464 30.263 29.762 0.062 0.000 1.558 1009 H HN 1.859 nan 8.280 nan 0.000 0.608 1010 G N -0.835 108.072 108.800 0.178 0.000 2.555 1010 G HA2 0.263 4.223 3.960 -0.000 0.000 0.686 1010 G HA3 0.263 4.223 3.960 -0.000 0.000 0.686 1010 G C -0.688 174.254 174.900 0.070 0.000 1.275 1010 G CA -0.409 44.754 45.100 0.105 0.000 0.871 1010 G HN 1.043 nan 8.290 nan 0.000 0.603 1011 S N -1.376 114.354 115.700 0.050 0.000 2.720 1011 S HA 0.810 5.280 4.470 -0.000 0.000 0.287 1011 S C 0.558 175.177 174.600 0.031 0.000 1.168 1011 S CA -0.258 57.965 58.200 0.038 0.000 0.832 1011 S CB 1.749 64.969 63.200 0.034 0.000 1.166 1011 S HN 1.273 nan 8.310 nan 0.000 0.493 1012 L N 0.434 121.675 121.223 0.031 0.000 2.701 1012 L HA 0.414 4.754 4.340 -0.000 0.000 0.238 1012 L C -0.323 176.559 176.870 0.020 0.000 1.106 1012 L CA -0.014 54.843 54.840 0.027 0.000 0.898 1012 L CB 0.507 42.587 42.059 0.034 0.000 1.188 1012 L HN 0.449 nan 8.230 nan 0.000 0.508 1013 V N 0.042 119.965 119.914 0.015 0.000 2.850 1013 V HA 0.368 4.488 4.120 -0.000 0.000 0.315 1013 V C 0.215 176.305 176.094 -0.006 0.000 1.064 1013 V CA -0.788 61.513 62.300 0.001 0.000 0.979 1013 V CB 1.764 33.582 31.823 -0.008 0.000 1.039 1013 V HN 0.077 nan 8.190 nan 0.000 0.452 1014 M N 2.151 121.741 119.600 -0.016 0.000 2.216 1014 M HA 0.493 4.973 4.480 -0.000 0.000 0.356 1014 M C -0.482 175.798 176.300 -0.034 0.000 1.205 1014 M CA -0.086 55.195 55.300 -0.031 0.000 1.122 1014 M CB 0.311 32.881 32.600 -0.049 0.000 1.571 1014 M HN 0.583 nan 8.290 nan 0.000 0.464 1015 Q N 1.731 121.508 119.800 -0.038 0.000 2.235 1015 Q HA 0.407 4.747 4.340 -0.000 0.000 0.256 1015 Q C -1.044 174.926 176.000 -0.049 0.000 0.951 1015 Q CA -0.555 55.226 55.803 -0.037 0.000 0.890 1015 Q CB 1.736 30.456 28.738 -0.029 0.000 1.279 1015 Q HN 0.542 nan 8.270 nan 0.000 0.444 1016 N N 0.333 119.009 118.700 -0.040 0.000 2.372 1016 N HA 0.566 5.306 4.740 -0.000 0.000 0.291 1016 N C -1.213 174.279 175.510 -0.031 0.000 1.024 1016 N CA -0.180 52.845 53.050 -0.041 0.000 0.873 1016 N CB 1.262 39.741 38.487 -0.013 0.000 1.206 1016 N HN 0.491 nan 8.380 nan 0.000 0.486 1017 L N 1.022 122.222 121.223 -0.039 0.000 2.418 1017 L HA 0.725 5.065 4.340 -0.000 0.000 0.265 1017 L C 1.747 178.608 176.870 -0.015 0.000 1.143 1017 L CA 0.213 55.036 54.840 -0.029 0.000 0.809 1017 L CB -0.452 41.584 42.059 -0.040 0.000 1.124 1017 L HN 0.840 nan 8.230 nan 0.000 0.456 1018 G N -0.350 108.445 108.800 -0.007 0.000 4.328 1018 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.222 1018 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.222 1018 G C 0.649 175.560 174.900 0.018 0.000 1.366 1018 G CA 1.681 46.784 45.100 0.005 0.000 1.115 1018 G HN 2.259 nan 8.290 nan 0.000 0.667 1019 E N -0.467 119.748 120.200 0.025 0.000 4.367 1019 E HA 0.757 5.107 4.350 -0.000 0.000 0.345 1019 E C 1.854 178.469 176.600 0.024 0.000 1.312 1019 E CA 1.583 58.006 56.400 0.038 0.000 2.005 1019 E CB -1.108 28.630 29.700 0.065 0.000 1.642 1019 E HN 2.644 nan 8.360 nan 0.000 0.783 1020 T N -1.496 113.071 114.554 0.023 0.000 2.274 1020 T HA 0.171 4.521 4.350 -0.000 0.000 0.767 1020 T C 0.674 175.378 174.700 0.006 0.000 1.005 1020 T CA 3.294 65.395 62.100 0.001 0.000 4.044 1020 T CB -2.276 66.583 68.868 -0.016 0.000 2.315 1020 T HN 2.279 nan 8.240 nan 0.000 0.394 1021 S N -1.424 114.263 115.700 -0.021 0.000 2.547 1021 S HA 0.669 5.139 4.470 -0.000 0.000 0.270 1021 S C -0.019 174.530 174.600 -0.085 0.000 1.150 1021 S CA 0.581 58.772 58.200 -0.015 0.000 0.850 1021 S CB 1.646 64.862 63.200 0.026 0.000 1.118 1021 S HN 1.592 nan 8.310 nan 0.000 0.461 1022 T N 1.128 115.651 114.554 -0.052 0.000 3.287 1022 T HA 0.312 4.662 4.350 -0.000 0.000 0.253 1022 T C -1.694 172.857 174.700 -0.249 0.000 0.975 1022 T CA -0.710 61.335 62.100 -0.092 0.000 0.912 1022 T CB -0.432 68.436 68.868 0.001 0.000 1.071 1022 T HN 0.532 nan 8.240 nan 0.000 0.578 1023 P HA 0.000 nan 4.420 nan 0.000 0.223 1023 P C 0.320 177.275 177.300 -0.576 0.000 1.151 1023 P CA 0.727 63.171 63.100 -1.092 0.000 0.787 1023 P CB -0.248 30.395 31.700 -1.761 0.000 0.788 1024 T N 0.306 114.625 114.554 -0.393 0.000 2.889 1024 T HA 0.234 4.583 4.350 -0.000 0.000 0.291 1024 T C 0.744 175.359 174.700 -0.142 0.000 0.995 1024 T CA -0.055 61.904 62.100 -0.235 0.000 1.092 1024 T CB 2.143 70.907 68.868 -0.173 0.000 0.954 1024 T HN -0.042 nan 8.240 nan 0.000 0.506 1025 Q N 1.884 121.630 119.800 -0.091 0.000 2.589 1025 Q HA 0.356 4.696 4.340 -0.000 0.000 0.216 1025 Q C 0.993 176.976 176.000 -0.028 0.000 0.774 1025 Q CA 0.569 56.340 55.803 -0.053 0.000 0.909 1025 Q CB -0.144 28.568 28.738 -0.043 0.000 1.283 1025 Q HN 0.802 nan 8.270 nan 0.000 0.597 1026 G N -0.136 108.652 108.800 -0.020 0.000 2.535 1026 G HA2 0.502 4.462 3.960 -0.000 0.000 0.303 1026 G HA3 0.502 4.462 3.960 -0.000 0.000 0.303 1026 G C -1.171 173.743 174.900 0.024 0.000 1.237 1026 G CA -0.043 45.063 45.100 0.011 0.000 0.986 1026 G HN 0.131 nan 8.290 nan 0.000 0.494 1027 S N -0.874 114.857 115.700 0.052 0.000 2.737 1027 S HA 0.464 4.934 4.470 -0.000 0.000 0.269 1027 S C -1.127 173.486 174.600 0.021 0.000 1.150 1027 S CA -0.588 57.639 58.200 0.045 0.000 1.077 1027 S CB 0.782 64.012 63.200 0.050 0.000 1.075 1027 S HN 0.602 nan 8.310 nan 0.000 0.476 1028 V N 6.532 126.441 119.914 -0.009 0.000 2.407 1028 V HA 0.516 4.636 4.120 -0.000 0.000 0.291 1028 V C -0.192 175.955 176.094 0.088 0.000 1.018 1028 V CA -0.657 61.609 62.300 -0.056 0.000 0.842 1028 V CB 1.203 32.935 31.823 -0.151 0.000 0.996 1028 V HN 0.790 nan 8.190 nan 0.000 0.426 1029 L N 5.536 126.796 121.223 0.061 0.000 2.379 1029 L HA 0.740 5.080 4.340 -0.000 0.000 0.269 1029 L C -0.484 176.461 176.870 0.126 0.000 1.084 1029 L CA -0.406 54.430 54.840 -0.007 0.000 0.802 1029 L CB 1.239 43.276 42.059 -0.038 0.000 1.175 1029 L HN 0.733 nan 8.230 nan 0.000 0.448 1030 F N -0.888 119.067 119.950 0.007 0.000 2.608 1030 F HA 0.775 5.302 4.527 -0.000 0.000 0.309 1030 F C -0.087 175.628 175.800 -0.141 0.000 1.103 1030 F CA -1.175 56.746 58.000 -0.131 0.000 0.954 1030 F CB 0.936 39.772 39.000 -0.273 0.000 1.267 1030 F HN 0.377 nan 8.300 nan 0.000 0.444 1031 G N 1.396 110.239 108.800 0.072 0.000 2.338 1031 G HA2 0.528 4.488 3.960 -0.000 0.000 0.298 1031 G HA3 0.528 4.488 3.960 -0.000 0.000 0.298 1031 G C -0.948 174.007 174.900 0.090 0.000 1.140 1031 G CA -0.546 44.581 45.100 0.045 0.000 0.860 1031 G HN 0.796 nan 8.290 nan 0.000 0.470 1032 T N 1.337 115.956 114.554 0.108 0.000 2.945 1032 T HA 0.178 4.528 4.350 -0.000 0.000 0.286 1032 T C 1.354 176.123 174.700 0.116 0.000 1.025 1032 T CA -0.496 61.685 62.100 0.134 0.000 1.039 1032 T CB 2.064 71.019 68.868 0.145 0.000 1.068 1032 T HN 0.256 nan 8.240 nan 0.000 0.497 1033 V N 1.882 121.896 119.914 0.167 0.000 2.970 1033 V HA -0.061 4.059 4.120 -0.000 0.000 0.260 1033 V C 1.426 177.553 176.094 0.055 0.000 1.100 1033 V CA 1.733 64.103 62.300 0.117 0.000 1.122 1033 V CB -0.705 31.201 31.823 0.138 0.000 0.721 1033 V HN 0.772 nan 8.190 nan 0.000 0.483 1034 N N -0.501 118.234 118.700 0.060 0.000 2.280 1034 N HA 0.223 4.963 4.740 -0.000 0.000 0.192 1034 N C 1.177 176.707 175.510 0.033 0.000 1.109 1034 N CA 0.565 53.634 53.050 0.032 0.000 0.855 1034 N CB 0.640 39.140 38.487 0.022 0.000 0.974 1034 N HN 0.539 nan 8.380 nan 0.000 0.482 1035 G N 1.166 109.989 108.800 0.039 0.000 2.141 1035 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.242 1035 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.242 1035 G C 0.112 175.023 174.900 0.020 0.000 0.982 1035 G CA -0.147 44.968 45.100 0.026 0.000 0.662 1035 G HN 0.237 nan 8.290 nan 0.000 0.527 1036 M N 1.637 121.258 119.600 0.034 0.000 2.217 1036 M HA 0.574 5.054 4.480 -0.000 0.000 0.354 1036 M C 0.524 176.817 176.300 -0.012 0.000 1.225 1036 M CA -0.279 55.033 55.300 0.021 0.000 1.137 1036 M CB 0.289 32.925 32.600 0.061 0.000 1.576 1036 M HN 0.700 nan 8.290 nan 0.000 0.461 1037 I N 2.841 123.341 120.570 -0.118 0.000 2.796 1037 I HA 0.487 4.657 4.170 -0.000 0.000 0.279 1037 I C 0.276 176.062 176.117 -0.552 0.000 1.289 1037 I CA -0.873 60.261 61.300 -0.277 0.000 1.021 1037 I CB 0.393 38.287 38.000 -0.177 0.000 1.414 1037 I HN 0.654 nan 8.210 nan 0.000 0.562 1038 G N 3.974 112.190 108.800 -0.973 0.000 2.667 1038 G HA2 0.470 4.430 3.960 -0.000 0.000 0.250 1038 G HA3 0.470 4.430 3.960 -0.000 0.000 0.250 1038 G C -0.845 173.287 174.900 -1.280 0.000 1.212 1038 G CA -0.570 43.892 45.100 -1.063 0.000 0.874 1038 G HN 0.696 nan 8.290 nan 0.000 0.561 1039 L N 0.246 121.164 121.223 -0.509 0.000 2.354 1039 L HA 0.798 5.138 4.340 -0.000 0.000 0.269 1039 L C -0.454 176.475 176.870 0.098 0.000 1.005 1039 L CA -1.022 53.716 54.840 -0.169 0.000 0.819 1039 L CB 2.289 44.294 42.059 -0.090 0.000 1.311 1039 L HN 0.454 nan 8.230 nan 0.000 0.423 1040 V N 0.764 120.799 119.914 0.202 0.000 2.715 1040 V HA 0.764 4.884 4.120 -0.000 0.000 0.310 1040 V C -0.174 175.985 176.094 0.107 0.000 1.054 1040 V CA -0.386 62.028 62.300 0.188 0.000 0.928 1040 V CB 1.457 33.402 31.823 0.204 0.000 1.007 1040 V HN 0.857 nan 8.190 nan 0.000 0.437 1041 T N 1.482 116.100 114.554 0.107 0.000 2.916 1041 T HA 0.467 4.817 4.350 -0.000 0.000 0.305 1041 T C -0.401 174.301 174.700 0.004 0.000 1.119 1041 T CA -0.339 61.797 62.100 0.060 0.000 1.008 1041 T CB 1.865 70.784 68.868 0.086 0.000 1.129 1041 T HN 0.854 nan 8.240 nan 0.000 0.480 1042 S N 2.912 118.589 115.700 -0.038 0.000 2.465 1042 S HA 0.505 4.975 4.470 -0.000 0.000 0.279 1042 S C -0.176 174.402 174.600 -0.036 0.000 1.201 1042 S CA -0.573 57.592 58.200 -0.059 0.000 1.053 1042 S CB 0.078 63.236 63.200 -0.071 0.000 0.953 1042 S HN 0.413 nan 8.310 nan 0.000 0.488 1043 L N 2.023 123.258 121.223 0.020 0.000 2.352 1043 L HA 0.474 4.814 4.340 -0.000 0.000 0.269 1043 L C 0.805 177.779 176.870 0.173 0.000 1.034 1043 L CA -0.573 54.307 54.840 0.067 0.000 0.806 1043 L CB 1.506 43.658 42.059 0.156 0.000 1.244 1043 L HN 0.568 nan 8.230 nan 0.000 0.447 1044 S N 0.309 116.143 115.700 0.222 0.000 2.576 1044 S HA -0.002 4.468 4.470 -0.000 0.000 0.276 1044 S C 1.044 175.792 174.600 0.246 0.000 1.339 1044 S CA -0.299 58.075 58.200 0.291 0.000 1.039 1044 S CB 0.835 64.313 63.200 0.465 0.000 0.902 1044 S HN 0.710 nan 8.310 nan 0.000 0.516 1045 E N 2.486 122.804 120.200 0.196 0.000 2.049 1045 E HA -0.149 4.201 4.350 -0.000 0.000 0.198 1045 E C 2.116 178.683 176.600 -0.055 0.000 1.007 1045 E CA 1.712 58.117 56.400 0.009 0.000 0.809 1045 E CB -0.641 29.148 29.700 0.149 0.000 0.749 1045 E HN 0.739 nan 8.360 nan 0.000 0.450 1046 S N -0.557 115.140 115.700 -0.004 0.000 2.365 1046 S HA -0.196 4.274 4.470 -0.000 0.000 0.225 1046 S C 1.827 176.364 174.600 -0.106 0.000 1.039 1046 S CA 1.820 59.966 58.200 -0.091 0.000 1.033 1046 S CB -0.535 62.571 63.200 -0.157 0.000 0.887 1046 S HN 0.434 nan 8.310 nan 0.000 0.447 1047 W N 0.191 121.476 121.300 -0.024 0.000 2.379 1047 W HA -0.043 4.617 4.660 -0.000 0.000 0.307 1047 W C 2.308 178.808 176.519 -0.033 0.000 1.200 1047 W CA 1.045 58.376 57.345 -0.023 0.000 1.297 1047 W CB -0.877 28.570 29.460 -0.021 0.000 1.140 1047 W HN 0.473 nan 8.180 nan 0.000 0.507 1048 Y N 2.040 122.379 120.300 0.065 0.000 2.069 1048 Y HA -0.399 4.151 4.550 -0.000 0.000 0.278 1048 Y C 2.239 178.088 175.900 -0.085 0.000 1.175 1048 Y CA 2.397 60.446 58.100 -0.086 0.000 1.134 1048 Y CB -0.990 37.190 38.460 -0.468 0.000 0.965 1048 Y HN -0.088 nan 8.280 nan 0.000 0.498 1049 N N 0.492 119.125 118.700 -0.112 0.000 2.036 1049 N HA -0.228 4.512 4.740 -0.000 0.000 0.195 1049 N C 1.936 177.356 175.510 -0.150 0.000 1.037 1049 N CA 1.729 54.682 53.050 -0.161 0.000 0.855 1049 N CB -0.895 37.545 38.487 -0.079 0.000 1.033 1049 N HN 0.453 nan 8.380 nan 0.000 0.423 1050 L N 1.656 122.821 121.223 -0.096 0.000 1.990 1050 L HA -0.131 4.209 4.340 -0.000 0.000 0.213 1050 L C 2.161 178.992 176.870 -0.065 0.000 1.072 1050 L CA 1.509 56.303 54.840 -0.077 0.000 0.755 1050 L CB -0.745 41.264 42.059 -0.084 0.000 0.889 1050 L HN 0.128 nan 8.230 nan 0.000 0.432 1051 L N -1.371 119.835 121.223 -0.029 0.000 2.093 1051 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 1051 L C 2.541 179.344 176.870 -0.111 0.000 1.085 1051 L CA 0.514 55.337 54.840 -0.028 0.000 0.755 1051 L CB -0.686 41.411 42.059 0.063 0.000 0.904 1051 L HN 0.362 nan 8.230 nan 0.000 0.435 1052 L N 0.360 121.433 121.223 -0.251 0.000 2.013 1052 L HA -0.294 4.046 4.340 -0.000 0.000 0.212 1052 L C 2.323 179.118 176.870 -0.126 0.000 1.073 1052 L CA 2.102 56.781 54.840 -0.267 0.000 0.753 1052 L CB -0.987 40.801 42.059 -0.451 0.000 0.890 1052 L HN 0.368 nan 8.230 nan 0.000 0.432 1053 D N -0.731 119.602 120.400 -0.112 0.000 2.092 1053 D HA -0.222 4.418 4.640 -0.000 0.000 0.193 1053 D C 2.323 178.591 176.300 -0.054 0.000 0.994 1053 D CA 1.161 55.121 54.000 -0.066 0.000 0.828 1053 D CB 0.055 40.816 40.800 -0.064 0.000 0.963 1053 D HN 0.110 nan 8.370 nan 0.000 0.450 1054 M N 0.528 120.087 119.600 -0.069 0.000 2.113 1054 M HA -0.231 4.249 4.480 -0.000 0.000 0.255 1054 M C 2.268 178.544 176.300 -0.040 0.000 1.073 1054 M CA 1.585 56.842 55.300 -0.072 0.000 1.091 1054 M CB -1.342 31.197 32.600 -0.102 0.000 1.309 1054 M HN 0.237 nan 8.290 nan 0.000 0.407 1055 Q N -0.155 119.622 119.800 -0.039 0.000 2.029 1055 Q HA -0.214 4.126 4.340 -0.000 0.000 0.209 1055 Q C 1.871 177.859 176.000 -0.021 0.000 0.999 1055 Q CA 1.589 57.368 55.803 -0.041 0.000 0.857 1055 Q CB -0.485 28.235 28.738 -0.031 0.000 0.926 1055 Q HN 0.579 nan 8.270 nan 0.000 0.415 1056 N N 0.505 119.204 118.700 -0.002 0.000 2.149 1056 N HA -0.150 4.590 4.740 -0.000 0.000 0.188 1056 N C 1.716 177.241 175.510 0.025 0.000 1.019 1056 N CA 1.209 54.271 53.050 0.021 0.000 0.857 1056 N CB -0.152 38.348 38.487 0.021 0.000 0.997 1056 N HN 0.296 nan 8.380 nan 0.000 0.426 1057 R N 0.404 120.914 120.500 0.017 0.000 2.075 1057 R HA 0.111 4.451 4.340 -0.000 0.000 0.226 1057 R C 2.336 178.663 176.300 0.046 0.000 1.114 1057 R CA 0.407 56.524 56.100 0.029 0.000 0.972 1057 R CB -0.382 29.931 30.300 0.022 0.000 0.869 1057 R HN 0.136 nan 8.270 nan 0.000 0.437 1058 L N 1.327 122.578 121.223 0.046 0.000 2.127 1058 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 1058 L C 1.721 178.627 176.870 0.061 0.000 1.089 1058 L CA 1.098 55.980 54.840 0.071 0.000 0.757 1058 L CB -0.361 41.736 42.059 0.064 0.000 0.899 1058 L HN 0.177 nan 8.230 nan 0.000 0.434 1059 N N -0.208 118.517 118.700 0.041 0.000 2.244 1059 N HA -0.136 4.604 4.740 -0.000 0.000 0.183 1059 N C 1.671 177.229 175.510 0.080 0.000 1.016 1059 N CA 0.961 54.051 53.050 0.066 0.000 0.866 1059 N CB -0.054 38.472 38.487 0.065 0.000 0.980 1059 N HN 0.325 nan 8.380 nan 0.000 0.430 1060 K N 0.285 120.722 120.400 0.062 0.000 2.097 1060 K HA 0.014 4.334 4.320 -0.000 0.000 0.205 1060 K C 0.804 177.434 176.600 0.050 0.000 1.050 1060 K CA 0.568 56.888 56.287 0.055 0.000 0.938 1060 K CB 0.086 32.614 32.500 0.045 0.000 0.718 1060 K HN 0.000 nan 8.250 nan 0.000 0.442 1061 V N 1.063 121.008 119.914 0.052 0.000 3.610 1061 V HA 0.179 4.299 4.120 -0.000 0.000 0.285 1061 V C 0.796 176.921 176.094 0.053 0.000 1.012 1061 V CA -0.703 61.623 62.300 0.044 0.000 0.975 1061 V CB 0.339 32.187 31.823 0.043 0.000 1.247 1061 V HN 0.305 nan 8.190 nan 0.000 0.424 1062 I N 0.015 120.607 120.570 0.036 0.000 7.320 1062 I HA -0.132 4.038 4.170 -0.000 0.000 0.126 1062 I C 0.020 176.152 176.117 0.023 0.000 1.838 1062 I CA -0.096 61.225 61.300 0.035 0.000 2.037 1062 I CB -0.337 37.712 38.000 0.082 0.000 3.632 1062 I HN 0.680 nan 8.210 nan 0.000 0.169 1063 K N 4.509 124.899 120.400 -0.017 0.000 2.315 1063 K HA 0.145 4.465 4.320 -0.000 0.000 0.281 1063 K C 0.604 177.163 176.600 -0.069 0.000 1.086 1063 K CA 0.187 56.450 56.287 -0.039 0.000 1.042 1063 K CB 0.699 33.163 32.500 -0.059 0.000 0.949 1063 K HN 0.555 nan 8.250 nan 0.000 0.450 1064 S N 1.705 117.380 115.700 -0.042 0.000 2.568 1064 S HA 0.012 4.482 4.470 -0.000 0.000 0.282 1064 S C 0.764 175.268 174.600 -0.161 0.000 1.338 1064 S CA -0.711 57.427 58.200 -0.104 0.000 1.045 1064 S CB 0.519 63.755 63.200 0.059 0.000 0.873 1064 S HN 0.320 nan 8.310 nan 0.000 0.516 1065 V N 4.053 123.819 119.914 -0.247 0.000 3.099 1065 V HA 0.481 4.601 4.120 -0.000 0.000 0.387 1065 V C 1.367 177.369 176.094 -0.153 0.000 1.358 1065 V CA 0.347 62.528 62.300 -0.199 0.000 1.528 1065 V CB -0.892 30.790 31.823 -0.234 0.000 1.342 1065 V HN 1.109 nan 8.190 nan 0.000 0.513 1066 G N 0.204 108.926 108.800 -0.129 0.000 3.698 1066 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.222 1066 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.222 1066 G C 0.249 175.078 174.900 -0.118 0.000 0.908 1066 G CA -0.417 44.628 45.100 -0.091 0.000 1.077 1066 G HN 0.269 nan 8.290 nan 0.000 0.709 1067 K N -0.467 119.814 120.400 -0.198 0.000 3.003 1067 K HA -0.215 4.105 4.320 -0.000 0.000 0.257 1067 K C 0.174 176.785 176.600 0.019 0.000 0.958 1067 K CA 0.809 56.969 56.287 -0.211 0.000 0.707 1067 K CB -0.967 31.102 32.500 -0.719 0.000 1.279 1067 K HN 0.510 nan 8.250 nan 0.000 0.479 1068 I N 1.286 121.909 120.570 0.089 0.000 2.416 1068 I HA 0.014 4.184 4.170 -0.000 0.000 0.288 1068 I C 0.906 177.205 176.117 0.304 0.000 1.051 1068 I CA 0.167 61.581 61.300 0.190 0.000 1.375 1068 I CB 0.915 39.035 38.000 0.201 0.000 1.407 1068 I HN 0.066 nan 8.210 nan 0.000 0.516 1069 E N 5.527 125.883 120.200 0.259 0.000 2.257 1069 E HA -0.052 4.298 4.350 -0.000 0.000 0.278 1069 E C 1.180 177.968 176.600 0.312 0.000 1.049 1069 E CA -0.032 56.531 56.400 0.273 0.000 0.876 1069 E CB 0.488 30.307 29.700 0.198 0.000 1.035 1069 E HN 0.607 nan 8.360 nan 0.000 0.419 1070 H N 3.840 122.963 119.070 0.087 0.000 2.289 1070 H HA -0.184 4.372 4.556 -0.000 0.000 0.296 1070 H C 1.570 176.896 175.328 -0.003 0.000 1.091 1070 H CA 2.480 58.387 56.048 -0.235 0.000 1.274 1070 H CB 0.045 29.525 29.762 -0.469 0.000 1.364 1070 H HN 0.612 nan 8.280 nan 0.000 0.490 1071 S N 0.604 116.362 115.700 0.098 0.000 2.380 1071 S HA -0.249 4.221 4.470 -0.000 0.000 0.229 1071 S C 2.154 176.769 174.600 0.025 0.000 1.043 1071 S CA 1.669 59.906 58.200 0.062 0.000 1.038 1071 S CB -1.320 61.975 63.200 0.157 0.000 0.872 1071 S HN 0.535 nan 8.310 nan 0.000 0.456 1072 F N 2.452 122.396 119.950 -0.010 0.000 2.051 1072 F HA -0.067 4.460 4.527 -0.000 0.000 0.296 1072 F C 2.384 178.164 175.800 -0.034 0.000 1.122 1072 F CA 1.501 59.499 58.000 -0.003 0.000 1.201 1072 F CB -0.783 38.245 39.000 0.047 0.000 0.978 1072 F HN 0.371 nan 8.300 nan 0.000 0.472 1073 W N 1.770 122.930 121.300 -0.233 0.000 2.290 1073 W HA -0.316 4.344 4.660 -0.000 0.000 0.318 1073 W C 1.828 178.083 176.519 -0.440 0.000 1.248 1073 W CA 1.584 58.719 57.345 -0.350 0.000 1.263 1073 W CB -0.334 29.017 29.460 -0.182 0.000 1.147 1073 W HN 0.005 nan 8.180 nan 0.000 0.494 1074 R N 0.902 120.904 120.500 -0.831 0.000 2.161 1074 R HA -0.036 4.304 4.340 -0.000 0.000 0.213 1074 R C 1.450 177.371 176.300 -0.631 0.000 1.055 1074 R CA 1.056 56.545 56.100 -1.018 0.000 0.996 1074 R CB -1.280 28.535 30.300 -0.809 0.000 0.901 1074 R HN 0.193 nan 8.270 nan 0.000 0.456 1075 S N 0.934 116.379 115.700 -0.425 0.000 2.552 1075 S HA -0.028 4.442 4.470 -0.000 0.000 0.289 1075 S C 0.180 174.669 174.600 -0.184 0.000 1.304 1075 S CA -0.651 57.427 58.200 -0.204 0.000 1.063 1075 S CB 0.053 63.189 63.200 -0.107 0.000 0.848 1075 S HN 0.200 nan 8.310 nan 0.000 0.499 1076 F N 3.662 123.522 119.950 -0.151 0.000 2.602 1076 F HA 0.245 4.772 4.527 -0.000 0.000 0.385 1076 F C 0.312 176.082 175.800 -0.050 0.000 1.063 1076 F CA 0.503 58.452 58.000 -0.086 0.000 1.233 1076 F CB 0.223 39.208 39.000 -0.026 0.000 1.067 1076 F HN 0.883 nan 8.300 nan 0.000 0.564 1077 H N 3.937 122.612 119.070 -0.658 0.000 2.689 1077 H HA 0.497 5.053 4.556 -0.000 0.000 0.346 1077 H C -1.016 174.053 175.328 -0.432 0.000 1.037 1077 H CA -0.414 55.369 56.048 -0.441 0.000 1.234 1077 H CB 1.446 30.908 29.762 -0.501 0.000 1.572 1077 H HN 0.668 nan 8.280 nan 0.000 0.524 1078 T N 2.938 117.091 114.554 -0.670 0.000 2.888 1078 T HA 0.161 4.511 4.350 -0.000 0.000 0.288 1078 T C 0.964 175.325 174.700 -0.564 0.000 1.063 1078 T CA -0.920 60.906 62.100 -0.456 0.000 1.010 1078 T CB 1.553 70.338 68.868 -0.138 0.000 1.214 1078 T HN 0.668 nan 8.240 nan 0.000 0.533 1079 E N 0.055 120.118 120.200 -0.229 0.000 2.333 1079 E HA -0.112 4.238 4.350 -0.000 0.000 0.198 1079 E C 1.663 178.236 176.600 -0.046 0.000 1.007 1079 E CA 0.964 57.313 56.400 -0.086 0.000 0.845 1079 E CB 0.123 29.841 29.700 0.029 0.000 0.766 1079 E HN 0.388 nan 8.360 nan 0.000 0.507 1080 R N -0.339 120.130 120.500 -0.052 0.000 2.257 1080 R HA 0.205 4.545 4.340 -0.000 0.000 0.195 1080 R C 0.772 177.075 176.300 0.005 0.000 0.921 1080 R CA 0.078 56.174 56.100 -0.007 0.000 1.069 1080 R CB 0.617 30.921 30.300 0.006 0.000 1.115 1080 R HN -0.185 nan 8.270 nan 0.000 0.571 1081 K N 1.238 121.640 120.400 0.003 0.000 2.203 1081 K HA 0.385 4.705 4.320 -0.000 0.000 0.251 1081 K C -1.061 175.603 176.600 0.107 0.000 0.944 1081 K CA -0.281 56.054 56.287 0.081 0.000 0.829 1081 K CB 2.287 34.891 32.500 0.173 0.000 1.125 1081 K HN -0.138 nan 8.250 nan 0.000 0.430 1082 T N 2.408 117.064 114.554 0.169 0.000 3.050 1082 T HA 0.272 4.622 4.350 -0.000 0.000 0.310 1082 T C -1.186 173.624 174.700 0.184 0.000 0.978 1082 T CA -0.743 61.491 62.100 0.223 0.000 1.013 1082 T CB 1.128 70.152 68.868 0.260 0.000 1.000 1082 T HN 0.488 nan 8.240 nan 0.000 0.447 1083 E N 3.064 123.393 120.200 0.216 0.000 2.288 1083 E HA 0.355 4.705 4.350 -0.000 0.000 0.268 1083 E C -1.736 174.938 176.600 0.123 0.000 0.885 1083 E CA -2.650 53.827 56.400 0.128 0.000 0.767 1083 E CB 2.423 32.150 29.700 0.043 0.000 1.220 1083 E HN 0.186 nan 8.360 nan 0.000 0.427 1084 P HA -0.273 nan 4.420 nan 0.000 0.218 1084 P C -0.302 177.063 177.300 0.108 0.000 1.154 1084 P CA 1.821 64.978 63.100 0.095 0.000 0.872 1084 P CB 0.015 31.774 31.700 0.099 0.000 0.790 1085 A N -1.326 121.579 122.820 0.141 0.000 2.433 1085 A HA 0.178 4.498 4.320 -0.000 0.000 0.685 1085 A C 0.228 177.972 177.584 0.267 0.000 0.140 1085 A CA 0.071 52.235 52.037 0.212 0.000 0.034 1085 A CB -2.146 16.973 19.000 0.198 0.000 3.970 1085 A HN 0.446 nan 8.150 nan 0.000 0.547 1086 T N 0.183 114.916 114.554 0.300 0.000 2.906 1086 T HA 0.934 5.284 4.350 -0.000 0.000 0.295 1086 T C 1.461 176.400 174.700 0.397 0.000 1.075 1086 T CA 0.538 62.834 62.100 0.327 0.000 1.005 1086 T CB 1.550 70.551 68.868 0.221 0.000 1.136 1086 T HN 2.684 nan 8.240 nan 0.000 0.498 1087 G N 0.225 109.260 108.800 0.393 0.000 2.199 1087 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.254 1087 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.254 1087 G C -0.227 174.701 174.900 0.047 0.000 0.982 1087 G CA -0.067 45.097 45.100 0.107 0.000 0.632 1087 G HN 0.740 nan 8.290 nan 0.000 0.529 1088 F N -0.042 120.054 119.950 0.244 0.000 2.579 1088 F HA 0.831 5.358 4.527 -0.000 0.000 0.324 1088 F C 0.470 176.291 175.800 0.034 0.000 1.058 1088 F CA -1.070 56.929 58.000 -0.001 0.000 0.944 1088 F CB 1.813 40.571 39.000 -0.403 0.000 1.245 1088 F HN -0.036 nan 8.300 nan 0.000 0.477 1089 I N 1.818 122.448 120.570 0.100 0.000 2.569 1089 I HA 0.217 4.387 4.170 -0.000 0.000 0.290 1089 I C -1.569 174.456 176.117 -0.154 0.000 1.088 1089 I CA -0.962 60.377 61.300 0.065 0.000 1.047 1089 I CB 2.173 40.295 38.000 0.202 0.000 1.237 1089 I HN 0.477 nan 8.210 nan 0.000 0.421 1090 D N 5.037 125.415 120.400 -0.037 0.000 2.317 1090 D HA 0.180 4.820 4.640 -0.000 0.000 0.234 1090 D C 1.105 177.326 176.300 -0.132 0.000 1.112 1090 D CA -0.644 53.311 54.000 -0.076 0.000 0.840 1090 D CB 1.835 42.806 40.800 0.285 0.000 1.078 1090 D HN 0.665 nan 8.370 nan 0.000 0.486 1091 G N 2.750 111.276 108.800 -0.457 0.000 2.462 1091 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.220 1091 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.220 1091 G C 0.945 175.873 174.900 0.048 0.000 1.121 1091 G CA 0.459 45.424 45.100 -0.225 0.000 0.758 1091 G HN 0.460 nan 8.290 nan 0.000 0.559 1092 D N -0.164 120.268 120.400 0.055 0.000 2.221 1092 D HA -0.066 4.574 4.640 -0.000 0.000 0.204 1092 D C 2.258 178.663 176.300 0.175 0.000 0.982 1092 D CA 0.289 54.372 54.000 0.139 0.000 0.857 1092 D CB -0.039 40.871 40.800 0.183 0.000 0.934 1092 D HN 0.312 nan 8.370 nan 0.000 0.475 1093 L N -0.301 121.018 121.223 0.160 0.000 2.127 1093 L HA -0.052 4.288 4.340 -0.000 0.000 0.203 1093 L C 1.783 178.727 176.870 0.122 0.000 1.080 1093 L CA 0.466 55.375 54.840 0.116 0.000 0.768 1093 L CB 0.045 42.085 42.059 -0.032 0.000 0.924 1093 L HN -0.020 nan 8.230 nan 0.000 0.444 1094 I N 0.403 121.051 120.570 0.130 0.000 2.226 1094 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 1094 I C 2.406 178.645 176.117 0.203 0.000 1.100 1094 I CA 1.533 62.926 61.300 0.156 0.000 1.374 1094 I CB -0.344 37.788 38.000 0.221 0.000 1.057 1094 I HN 0.242 nan 8.210 nan 0.000 0.413 1095 E N -0.267 120.052 120.200 0.198 0.000 2.152 1095 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 1095 E C 2.043 178.748 176.600 0.175 0.000 0.983 1095 E CA 1.239 57.755 56.400 0.194 0.000 0.818 1095 E CB -0.191 29.618 29.700 0.182 0.000 0.758 1095 E HN 0.533 nan 8.360 nan 0.000 0.467 1096 S N 0.436 116.232 115.700 0.159 0.000 2.595 1096 S HA -0.111 4.359 4.470 -0.000 0.000 0.235 1096 S C 1.532 176.211 174.600 0.132 0.000 0.974 1096 S CA 0.074 58.346 58.200 0.119 0.000 0.942 1096 S CB -0.445 62.819 63.200 0.107 0.000 0.766 1096 S HN 0.287 nan 8.310 nan 0.000 0.536 1097 F N 2.329 122.300 119.950 0.035 0.000 2.186 1097 F HA 0.230 4.757 4.527 -0.000 0.000 0.299 1097 F C 1.496 177.302 175.800 0.010 0.000 1.090 1097 F CA 0.924 58.937 58.000 0.020 0.000 1.307 1097 F CB -0.213 38.800 39.000 0.022 0.000 1.019 1097 F HN 0.179 nan 8.300 nan 0.000 0.489 1098 L N 0.298 121.511 121.223 -0.016 0.000 2.650 1098 L HA -0.011 4.329 4.340 -0.000 0.000 0.235 1098 L C -0.037 176.751 176.870 -0.137 0.000 1.149 1098 L CA 0.484 55.251 54.840 -0.123 0.000 0.887 1098 L CB -0.631 41.439 42.059 0.018 0.000 1.021 1098 L HN 0.091 nan 8.230 nan 0.000 0.441 1099 D N 0.729 121.051 120.400 -0.129 0.000 2.804 1099 D HA 0.322 4.962 4.640 -0.000 0.000 0.308 1099 D C 0.180 176.413 176.300 -0.111 0.000 1.371 1099 D CA 0.108 54.050 54.000 -0.097 0.000 0.823 1099 D CB 0.689 41.461 40.800 -0.047 0.000 1.126 1099 D HN 0.280 nan 8.370 nan 0.000 0.467 1100 I N -2.754 117.716 120.570 -0.168 0.000 3.145 1100 I HA 0.550 4.720 4.170 -0.000 0.000 0.313 1100 I C 0.317 176.347 176.117 -0.145 0.000 1.122 1100 I CA -1.192 60.024 61.300 -0.140 0.000 0.987 1100 I CB 1.823 39.744 38.000 -0.132 0.000 1.236 1100 I HN -0.195 nan 8.210 nan 0.000 0.453 1101 S N 1.436 117.073 115.700 -0.104 0.000 2.585 1101 S HA 0.332 4.802 4.470 -0.000 0.000 0.273 1101 S C 0.827 175.369 174.600 -0.097 0.000 1.339 1101 S CA -0.497 57.650 58.200 -0.088 0.000 1.028 1101 S CB 1.205 64.369 63.200 -0.060 0.000 0.906 1101 S HN 0.771 nan 8.310 nan 0.000 0.528 1102 R N 1.231 121.682 120.500 -0.082 0.000 2.152 1102 R HA -0.028 4.312 4.340 -0.000 0.000 0.232 1102 R C -0.915 175.358 176.300 -0.044 0.000 1.117 1102 R CA 1.288 57.346 56.100 -0.071 0.000 0.981 1102 R CB -1.511 28.757 30.300 -0.053 0.000 0.870 1102 R HN 0.600 nan 8.270 nan 0.000 0.451 1103 P HA -0.120 nan 4.420 nan 0.000 0.214 1103 P C 0.722 178.014 177.300 -0.014 0.000 1.162 1103 P CA 1.291 64.380 63.100 -0.019 0.000 0.874 1103 P CB -0.006 31.683 31.700 -0.018 0.000 0.784 1104 K N -1.089 119.297 120.400 -0.024 0.000 2.147 1104 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 1104 K C 2.244 178.842 176.600 -0.004 0.000 1.049 1104 K CA 1.310 57.589 56.287 -0.014 0.000 0.936 1104 K CB -0.492 31.992 32.500 -0.026 0.000 0.722 1104 K HN 0.125 nan 8.250 nan 0.000 0.446 1105 M N 0.870 120.443 119.600 -0.045 0.000 2.086 1105 M HA -0.252 4.228 4.480 -0.000 0.000 0.261 1105 M C 2.095 178.434 176.300 0.066 0.000 1.067 1105 M CA 1.746 57.021 55.300 -0.041 0.000 1.116 1105 M CB 0.058 32.554 32.600 -0.174 0.000 1.348 1105 M HN 0.090 nan 8.290 nan 0.000 0.407 1106 Q N -0.514 119.305 119.800 0.031 0.000 2.224 1106 Q HA -0.212 4.128 4.340 -0.000 0.000 0.203 1106 Q C 1.800 177.826 176.000 0.043 0.000 0.970 1106 Q CA 1.471 57.299 55.803 0.041 0.000 0.865 1106 Q CB -0.051 28.699 28.738 0.021 0.000 0.922 1106 Q HN 0.536 nan 8.270 nan 0.000 0.445 1107 E N -0.319 119.904 120.200 0.039 0.000 2.077 1107 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 1107 E C 1.708 178.337 176.600 0.049 0.000 0.989 1107 E CA 1.170 57.592 56.400 0.036 0.000 0.800 1107 E CB 0.222 29.939 29.700 0.029 0.000 0.746 1107 E HN 0.173 nan 8.360 nan 0.000 0.452 1108 V N 0.517 120.478 119.914 0.079 0.000 2.515 1108 V HA -0.174 3.946 4.120 -0.000 0.000 0.250 1108 V C 2.160 178.289 176.094 0.058 0.000 1.058 1108 V CA 1.170 63.524 62.300 0.090 0.000 1.064 1108 V CB 0.195 32.123 31.823 0.175 0.000 0.675 1108 V HN 0.206 nan 8.190 nan 0.000 0.461 1109 V N 0.012 119.966 119.914 0.068 0.000 3.235 1109 V HA 0.244 4.364 4.120 -0.000 0.000 0.259 1109 V C 1.398 177.503 176.094 0.018 0.000 1.133 1109 V CA 0.388 62.705 62.300 0.027 0.000 1.128 1109 V CB -0.796 31.052 31.823 0.042 0.000 0.757 1109 V HN 0.429 nan 8.190 nan 0.000 0.469 1110 A N 1.629 124.464 122.820 0.026 0.000 2.567 1110 A HA 0.163 4.483 4.320 -0.000 0.000 0.240 1110 A C 1.207 178.800 177.584 0.014 0.000 1.053 1110 A CA 0.580 52.629 52.037 0.020 0.000 0.755 1110 A CB -0.376 18.636 19.000 0.021 0.000 0.978 1110 A HN 0.666 nan 8.150 nan 0.000 0.507 1111 N N -1.529 117.179 118.700 0.014 0.000 2.936 1111 N HA -0.173 4.567 4.740 -0.000 0.000 0.236 1111 N C -0.300 175.215 175.510 0.009 0.000 0.930 1111 N CA 1.310 54.366 53.050 0.011 0.000 0.966 1111 N CB -1.540 36.953 38.487 0.010 0.000 1.090 1111 N HN 0.691 nan 8.380 nan 0.000 0.592 1112 L N 2.687 123.915 121.223 0.009 0.000 2.315 1112 L HA 0.191 4.531 4.340 -0.000 0.000 0.283 1112 L C 0.149 177.036 176.870 0.029 0.000 1.089 1112 L CA 0.130 54.974 54.840 0.006 0.000 0.833 1112 L CB 0.732 42.781 42.059 -0.017 0.000 1.170 1112 L HN -0.043 nan 8.230 nan 0.000 0.442 1113 Q N 5.006 124.821 119.800 0.025 0.000 2.323 1113 Q HA 0.158 4.498 4.340 -0.000 0.000 0.257 1113 Q C -1.244 174.797 176.000 0.069 0.000 1.022 1113 Q CA 0.076 55.899 55.803 0.033 0.000 0.919 1113 Q CB 0.865 29.604 28.738 0.002 0.000 1.220 1113 Q HN 0.588 nan 8.270 nan 0.000 0.427 1114 Y N 2.096 122.351 120.300 -0.074 0.000 2.393 1114 Y HA 0.288 4.838 4.550 -0.000 0.000 0.341 1114 Y C -0.774 175.061 175.900 -0.108 0.000 0.988 1114 Y CA -1.444 56.594 58.100 -0.104 0.000 1.078 1114 Y CB 1.434 39.843 38.460 -0.086 0.000 1.203 1114 Y HN 0.437 nan 8.280 nan 0.000 0.453 1115 D N 4.909 124.961 120.400 -0.580 0.000 2.373 1115 D HA 0.095 4.735 4.640 -0.000 0.000 0.227 1115 D C -0.374 175.266 176.300 -1.100 0.000 1.091 1115 D CA -0.174 53.438 54.000 -0.647 0.000 0.840 1115 D CB 0.925 41.492 40.800 -0.388 0.000 1.060 1115 D HN 0.785 nan 8.370 nan 0.000 0.502 1116 D N 2.581 122.427 120.400 -0.924 0.000 2.370 1116 D HA 0.134 4.774 4.640 -0.000 0.000 0.230 1116 D C 1.300 177.435 176.300 -0.275 0.000 1.143 1116 D CA -0.002 53.598 54.000 -0.667 0.000 0.834 1116 D CB 0.058 40.647 40.800 -0.352 0.000 0.944 1116 D HN 0.669 nan 8.370 nan 0.000 0.504 1117 G N 0.210 108.850 108.800 -0.267 0.000 2.241 1117 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.244 1117 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.244 1117 G C 1.082 175.917 174.900 -0.107 0.000 0.998 1117 G CA 0.477 45.496 45.100 -0.136 0.000 0.621 1117 G HN 0.480 nan 8.290 nan 0.000 0.519 1118 S N 0.374 115.999 115.700 -0.125 0.000 2.515 1118 S HA 0.319 4.789 4.470 -0.000 0.000 0.231 1118 S C 2.495 177.043 174.600 -0.088 0.000 0.987 1118 S CA 1.976 60.123 58.200 -0.087 0.000 0.936 1118 S CB -0.547 62.605 63.200 -0.080 0.000 0.766 1118 S HN 2.368 nan 8.310 nan 0.000 0.528 1119 G N 0.833 109.563 108.800 -0.117 0.000 2.435 1119 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.245 1119 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.245 1119 G C 0.242 175.086 174.900 -0.093 0.000 1.073 1119 G CA 0.570 45.609 45.100 -0.101 0.000 0.638 1119 G HN 0.535 nan 8.290 nan 0.000 0.521 1120 M N 1.372 120.922 119.600 -0.084 0.000 2.156 1120 M HA 0.364 4.844 4.480 -0.000 0.000 0.345 1120 M C 0.563 176.812 176.300 -0.085 0.000 1.398 1120 M CA -0.269 54.989 55.300 -0.069 0.000 1.148 1120 M CB 1.129 33.699 32.600 -0.050 0.000 1.663 1120 M HN 0.175 nan 8.290 nan 0.000 0.464 1121 K N 3.246 123.600 120.400 -0.078 0.000 2.380 1121 K HA 0.278 4.598 4.320 -0.000 0.000 0.267 1121 K C -0.487 176.084 176.600 -0.048 0.000 0.990 1121 K CA 0.539 56.779 56.287 -0.078 0.000 0.946 1121 K CB 0.676 33.141 32.500 -0.058 0.000 0.937 1121 K HN 0.618 nan 8.250 nan 0.000 0.491 1122 R N 1.323 121.805 120.500 -0.031 0.000 2.734 1122 R HA 0.179 4.519 4.340 -0.000 0.000 0.271 1122 R C -1.141 175.183 176.300 0.040 0.000 1.021 1122 R CA -0.784 55.318 56.100 0.004 0.000 0.893 1122 R CB 1.146 31.450 30.300 0.007 0.000 1.244 1122 R HN 0.632 nan 8.270 nan 0.000 0.464 1123 E N 0.960 121.186 120.200 0.043 0.000 2.366 1123 E HA 0.218 4.568 4.350 -0.000 0.000 0.266 1123 E C -0.578 176.072 176.600 0.083 0.000 1.015 1123 E CA 0.190 56.622 56.400 0.052 0.000 0.906 1123 E CB 1.199 30.921 29.700 0.035 0.000 0.979 1123 E HN 0.523 nan 8.360 nan 0.000 0.443 1124 A N 3.390 126.267 122.820 0.094 0.000 2.388 1124 A HA 0.426 4.746 4.320 -0.000 0.000 0.257 1124 A C 0.351 177.956 177.584 0.035 0.000 1.095 1124 A CA -0.365 51.724 52.037 0.087 0.000 0.791 1124 A CB 0.267 19.267 19.000 -0.000 0.000 1.029 1124 A HN 0.640 nan 8.150 nan 0.000 0.489 1125 T N -1.416 113.156 114.554 0.029 0.000 2.952 1125 T HA 0.594 4.944 4.350 -0.000 0.000 0.286 1125 T C 1.178 175.894 174.700 0.027 0.000 1.024 1125 T CA -0.075 62.043 62.100 0.031 0.000 1.029 1125 T CB 1.487 70.381 68.868 0.043 0.000 1.094 1125 T HN 1.279 nan 8.240 nan 0.000 0.515 1126 A N 0.931 123.783 122.820 0.054 0.000 1.986 1126 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 1126 A C 1.861 179.510 177.584 0.109 0.000 1.171 1126 A CA 1.989 54.088 52.037 0.103 0.000 0.640 1126 A CB -1.102 17.937 19.000 0.064 0.000 0.811 1126 A HN 0.885 nan 8.150 nan 0.000 0.451 1127 D N 0.023 120.459 120.400 0.060 0.000 2.183 1127 D HA -0.078 4.562 4.640 -0.000 0.000 0.203 1127 D C 1.337 177.665 176.300 0.047 0.000 0.969 1127 D CA 1.063 55.095 54.000 0.052 0.000 0.842 1127 D CB -0.328 40.493 40.800 0.035 0.000 0.957 1127 D HN 0.405 nan 8.370 nan 0.000 0.484 1128 D N 0.065 120.475 120.400 0.017 0.000 2.144 1128 D HA -0.113 4.527 4.640 -0.000 0.000 0.199 1128 D C 1.987 178.210 176.300 -0.130 0.000 0.984 1128 D CA 0.451 54.432 54.000 -0.032 0.000 0.834 1128 D CB 0.073 40.820 40.800 -0.088 0.000 0.955 1128 D HN 0.164 nan 8.370 nan 0.000 0.465 1129 L N 0.571 121.715 121.223 -0.133 0.000 2.209 1129 L HA 0.049 4.389 4.340 -0.000 0.000 0.207 1129 L C 2.440 179.359 176.870 0.082 0.000 1.094 1129 L CA 0.599 55.334 54.840 -0.175 0.000 0.790 1129 L CB -0.760 41.071 42.059 -0.380 0.000 0.932 1129 L HN 0.051 nan 8.230 nan 0.000 0.447 1130 I N 0.697 121.431 120.570 0.273 0.000 2.226 1130 I HA -0.338 3.832 4.170 -0.000 0.000 0.245 1130 I C 2.293 178.488 176.117 0.131 0.000 1.100 1130 I CA 1.470 62.932 61.300 0.270 0.000 1.374 1130 I CB -0.148 37.939 38.000 0.145 0.000 1.057 1130 I HN 0.279 nan 8.210 nan 0.000 0.413 1131 K N 0.276 120.723 120.400 0.079 0.000 2.432 1131 K HA 0.013 4.333 4.320 -0.000 0.000 0.196 1131 K C 1.474 178.113 176.600 0.064 0.000 1.038 1131 K CA 0.759 57.080 56.287 0.056 0.000 0.986 1131 K CB -0.380 32.145 32.500 0.042 0.000 0.782 1131 K HN 0.076 nan 8.250 nan 0.000 0.485 1132 V N 0.356 120.308 119.914 0.064 0.000 2.379 1132 V HA -0.120 4.000 4.120 -0.000 0.000 0.243 1132 V C 2.126 178.237 176.094 0.027 0.000 1.035 1132 V CA 1.000 63.346 62.300 0.076 0.000 1.035 1132 V CB 0.153 32.038 31.823 0.103 0.000 0.673 1132 V HN 0.200 nan 8.190 nan 0.000 0.457 1133 V N -0.059 119.880 119.914 0.042 0.000 2.358 1133 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 1133 V C 2.471 178.609 176.094 0.073 0.000 1.047 1133 V CA 2.088 64.432 62.300 0.073 0.000 1.035 1133 V CB -0.612 31.323 31.823 0.187 0.000 0.658 1133 V HN 0.596 nan 8.190 nan 0.000 0.452 1134 E N 0.620 120.866 120.200 0.078 0.000 2.086 1134 E HA -0.293 4.057 4.350 -0.000 0.000 0.205 1134 E C 2.276 178.886 176.600 0.017 0.000 1.027 1134 E CA 2.015 58.443 56.400 0.047 0.000 0.830 1134 E CB -0.340 29.386 29.700 0.043 0.000 0.751 1134 E HN 0.553 nan 8.360 nan 0.000 0.456 1135 E N 0.197 120.399 120.200 0.003 0.000 2.051 1135 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 1135 E C 2.236 178.800 176.600 -0.061 0.000 0.991 1135 E CA 1.260 57.642 56.400 -0.031 0.000 0.799 1135 E CB -0.361 29.316 29.700 -0.039 0.000 0.748 1135 E HN 0.407 nan 8.360 nan 0.000 0.449 1136 L N 0.885 122.065 121.223 -0.071 0.000 2.265 1136 L HA -0.148 4.192 4.340 -0.000 0.000 0.215 1136 L C 2.676 179.552 176.870 0.010 0.000 1.117 1136 L CA 1.578 56.367 54.840 -0.085 0.000 0.782 1136 L CB -0.576 41.412 42.059 -0.118 0.000 0.914 1136 L HN 0.260 nan 8.230 nan 0.000 0.441 1137 T N -3.104 111.453 114.554 0.005 0.000 2.995 1137 T HA -0.160 4.190 4.350 -0.000 0.000 0.269 1137 T C 1.685 176.250 174.700 -0.226 0.000 1.091 1137 T CA 0.544 62.607 62.100 -0.062 0.000 1.128 1137 T CB -0.215 68.635 68.868 -0.029 0.000 0.891 1137 T HN 0.275 nan 8.240 nan 0.000 0.492 1138 R N 1.099 121.526 120.500 -0.121 0.000 2.547 1138 R HA 0.362 4.702 4.340 -0.000 0.000 0.258 1138 R C 1.368 177.608 176.300 -0.100 0.000 1.115 1138 R CA 0.147 56.179 56.100 -0.113 0.000 1.152 1138 R CB -0.416 29.853 30.300 -0.053 0.000 1.221 1138 R HN 0.708 nan 8.270 nan 0.000 0.539 1139 I N -2.794 117.717 120.570 -0.098 0.000 4.082 1139 I HA 0.183 4.353 4.170 -0.000 0.000 0.337 1139 I C 0.261 176.428 176.117 0.084 0.000 1.352 1139 I CA -0.485 60.811 61.300 -0.006 0.000 1.097 1139 I CB 0.218 38.227 38.000 0.015 0.000 1.048 1139 I HN -0.018 nan 8.210 nan 0.000 0.393 1140 H N 0.000 119.078 119.070 0.013 0.000 2.539 1140 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 1140 H CA 0.000 56.049 56.048 0.002 0.000 1.023 1140 H CB 0.000 29.760 29.762 -0.003 0.000 1.292 1140 H HN 0.000 nan 8.280 nan 0.000 0.496