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 1zyr_1_D DATA FIRST_RESID 2 DATA SEQUENCE KKEVRKVRIA LASPEKIRSW SYGEVEKPET INYRTLKPER DGLFDERIFG DATA SEQUENCE PIKDYECACG KYKRQRFEGK VCERCGVEVT KSIVRRYRMG HIELATPAAH DATA SEQUENCE IWFVKDVPSK IGTLLDLSAT ELEQVLYFSK YIVLDPKGAI LNGVPVEKRQ DATA SEQUENCE LLTDEEYREL RYGKQETYPL PPGVDALVKD GEEVVKGQEL APGVVSRLDG DATA SEQUENCE VALYRFPRRV RVEYVKKERA GLRLPLAAWV EKEAYKPGEI LAELPEPYLF DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXGDKIVAAI DPEEEVIAEA EGVVHLHEPA SILVVKARVY DATA SEQUENCE PFEDDVEVST GDRVAPGDVL ADGGKVKSDV YGRVEVDLVR NVVRVVESYD DATA SEQUENCE IDARMGAEAI QQLLKELDLE ALEKELLEEM KHPSRARRAK ARKRLEVVRA DATA SEQUENCE FLDSGNRPEW MILEAVPVLP PDLRPMVQVD GGRFATSDLN DLYRRLINRN DATA SEQUENCE NRLKKLLAQG APEIIIRNEK RMLQEAVDAL LDNGRRGAPV TNPGSDRPLR DATA SEQUENCE SLTDILSGKQ GRFRQNLLGK RVDYSGRSVI VVGPQLKLHQ CGLPKRMALE DATA SEQUENCE LFKPFLLKKM EEKGIAPNVK AARRMLERQR DIKDEVWDAL EEVIHGKVVL DATA SEQUENCE LNRAPTLHRL GIQAFQPVLV EGQSIQLHPL VCEAFNADFD GDQMAVHVPL DATA SEQUENCE SSFAQAEARI QMLSAHNLLS PASGEPLAKP SRDIILGLYY ITQVRKEKKG DATA SEQUENCE AGLEFATPEE ALAAHERGEV ALNAPIKVAG RETSVGRLKY VFANPDEALL DATA SEQUENCE AVAHGIVDLQ DVVTVRYMGK RLETSPGRIL FARIVAEAVE DEKVAWELIQ DATA SEQUENCE LDVPQEKNSL KDLVYQAFLR LGMEKTARLL DALKYYGFTF STTSGITIGI DATA SEQUENCE DDAVIPEEKK QYLEEADRKL LQIEQAYEMG FLTDRERYDQ ILQLWTETTE DATA SEQUENCE KVTQAVFKNF EENYPFNPLY VMAQSGARGN PQQIRQLCGL RGLMQKPSGE DATA SEQUENCE TFEVPVRSSF REGLTVLEYF ISSHGARKGG ADTALRTADS GYLTRKLVDV DATA SEQUENCE THEIVVREAD CGTTNYISVP LFQPDEVTRS LRLRKRADIE AGLYGRVLAR DATA SEQUENCE EVEVLGVRLE EGRYLSMDDV HLLIKAAEAG EIQEVPVRSP LTcQTRYGVC DATA SEQUENCE QKcYGYDLSM ARPVSIGEAV GIVAAQSIGE PGTQLTMRTF HTGGVAGAAD DATA SEQUENCE ITQGLPRVIE LFEARRPKAK AVISEIDGVV RIEETEEKLS VFVESEGFSK DATA SEQUENCE EYKLPKEARL LVKDGDYVEA GQPLTRGAID PHQLLEAKGP EAVERYLVEE DATA SEQUENCE IQKVYRAQGV KLHDKHIEIV VRQMMKYVEV TDPGDSRLLE GQVLEKWDVE DATA SEQUENCE ALNERLIAEG KTPVAWKPLL MGVTKSALST KSWLSAASFQ NTTHVLTEAA DATA SEQUENCE IAGKKDELIG LKENVILGRL IPAGTGSDFV RFTQVVDQKT LKAIEEARKE DATA SEQUENCE AVEA 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.605 176.600 0.008 0.000 0.988 2 K CA 0.000 56.291 56.287 0.007 0.000 0.838 2 K CB 0.000 32.504 32.500 0.007 0.000 1.064 3 K N 2.559 122.964 120.400 0.009 0.000 2.383 3 K HA 0.106 4.382 4.320 -0.073 0.000 0.286 3 K C -0.513 176.095 176.600 0.013 0.000 1.051 3 K CA -0.047 56.246 56.287 0.010 0.000 0.974 3 K CB 0.913 33.420 32.500 0.011 0.000 0.968 3 K HN 0.278 nan 8.250 nan 0.000 0.475 4 E N 3.282 123.492 120.200 0.017 0.000 2.159 4 E HA 0.047 4.353 4.350 -0.073 0.000 0.272 4 E C -0.445 176.168 176.600 0.021 0.000 1.138 4 E CA -0.391 56.022 56.400 0.021 0.000 0.915 4 E CB 0.396 30.116 29.700 0.035 0.000 1.028 4 E HN 0.195 nan 8.360 nan 0.000 0.423 5 V N 5.564 125.487 119.914 0.016 0.000 2.814 5 V HA -0.100 3.976 4.120 -0.073 0.000 0.307 5 V C 1.478 177.583 176.094 0.018 0.000 1.089 5 V CA 0.682 62.991 62.300 0.016 0.000 1.212 5 V CB 0.679 32.508 31.823 0.010 0.000 0.912 5 V HN 0.827 nan 8.190 nan 0.000 0.497 6 R N 1.838 122.351 120.500 0.020 0.000 2.568 6 R HA 0.272 4.568 4.340 -0.073 0.000 0.254 6 R C -0.222 176.087 176.300 0.014 0.000 0.925 6 R CA -0.065 56.047 56.100 0.020 0.000 1.025 6 R CB 0.857 31.174 30.300 0.029 0.000 1.428 6 R HN 0.661 nan 8.270 nan 0.000 0.573 7 K N 1.079 121.492 120.400 0.022 0.000 2.535 7 K HA 0.406 4.682 4.320 -0.073 0.000 0.251 7 K C -0.885 175.746 176.600 0.051 0.000 0.942 7 K CA -0.523 55.781 56.287 0.027 0.000 0.798 7 K CB 3.354 35.880 32.500 0.043 0.000 1.267 7 K HN -0.239 nan 8.250 nan 0.000 0.434 8 V N 1.676 121.622 119.914 0.053 0.000 3.096 8 V HA 0.579 4.655 4.120 -0.073 0.000 0.319 8 V C -0.247 176.053 176.094 0.344 0.000 1.082 8 V CA -0.866 61.524 62.300 0.150 0.000 1.022 8 V CB 1.694 33.562 31.823 0.075 0.000 1.103 8 V HN 0.756 nan 8.190 nan 0.000 0.455 9 R N 1.260 122.045 120.500 0.476 0.000 2.522 9 R HA 0.533 4.829 4.340 -0.073 0.000 0.273 9 R C -1.859 174.492 176.300 0.085 0.000 1.133 9 R CA -0.489 55.834 56.100 0.373 0.000 0.969 9 R CB 1.420 31.836 30.300 0.192 0.000 1.235 9 R HN 0.715 nan 8.270 nan 0.000 0.433 10 I N 2.854 123.219 120.570 -0.342 0.000 2.664 10 I HA 0.753 4.879 4.170 -0.073 0.000 0.308 10 I C 0.054 176.060 176.117 -0.185 0.000 0.984 10 I CA -0.501 60.526 61.300 -0.454 0.000 1.213 10 I CB 1.873 39.303 38.000 -0.951 0.000 1.379 10 I HN 0.838 nan 8.210 nan 0.000 0.501 11 A N 4.608 127.379 122.820 -0.080 0.000 2.586 11 A HA 0.534 4.809 4.320 -0.073 0.000 0.291 11 A C -1.414 176.221 177.584 0.085 0.000 1.062 11 A CA -0.612 51.431 52.037 0.010 0.000 0.666 11 A CB 0.942 19.968 19.000 0.043 0.000 1.281 11 A HN 0.576 nan 8.150 nan 0.000 0.421 12 L N 1.050 122.365 121.223 0.152 0.000 2.397 12 L HA 0.494 4.790 4.340 -0.073 0.000 0.271 12 L C 0.889 177.800 176.870 0.070 0.000 1.148 12 L CA -0.260 54.722 54.840 0.237 0.000 0.825 12 L CB 1.444 43.757 42.059 0.423 0.000 1.117 12 L HN 0.935 nan 8.230 nan 0.000 0.456 13 A N 3.281 126.110 122.820 0.014 0.000 2.666 13 A HA 0.338 4.614 4.320 -0.073 0.000 0.312 13 A C 0.417 177.720 177.584 -0.469 0.000 1.471 13 A CA -0.480 51.407 52.037 -0.249 0.000 1.134 13 A CB -0.255 18.601 19.000 -0.241 0.000 1.129 13 A HN 0.734 nan 8.150 nan 0.000 0.539 14 S N 2.776 117.950 115.700 -0.877 0.000 2.560 14 S HA 0.212 4.638 4.470 -0.073 0.000 0.284 14 S C -1.794 172.349 174.600 -0.761 0.000 1.327 14 S CA -0.680 56.742 58.200 -1.298 0.000 1.055 14 S CB 0.573 62.470 63.200 -2.171 0.000 0.868 14 S HN 0.400 nan 8.310 nan 0.000 0.506 15 P HA -0.193 nan 4.420 nan 0.000 0.218 15 P C 1.404 178.447 177.300 -0.429 0.000 1.146 15 P CA 1.476 64.351 63.100 -0.376 0.000 0.820 15 P CB 0.102 31.677 31.700 -0.208 0.000 0.778 16 E N 0.149 120.074 120.200 -0.458 0.000 2.017 16 E HA -0.206 4.100 4.350 -0.073 0.000 0.193 16 E C 1.579 177.907 176.600 -0.454 0.000 0.997 16 E CA 1.241 57.413 56.400 -0.380 0.000 0.804 16 E CB -0.187 29.315 29.700 -0.330 0.000 0.757 16 E HN 0.152 nan 8.360 nan 0.000 0.448 17 K N 0.071 120.132 120.400 -0.565 0.000 2.515 17 K HA -0.038 4.238 4.320 -0.073 0.000 0.196 17 K C 1.977 177.829 176.600 -1.248 0.000 1.038 17 K CA 0.421 56.297 56.287 -0.684 0.000 0.967 17 K CB 0.118 32.296 32.500 -0.537 0.000 0.780 17 K HN 0.318 nan 8.250 nan 0.000 0.483 18 I N 0.364 120.325 120.570 -1.015 0.000 2.339 18 I HA -0.175 3.951 4.170 -0.073 0.000 0.245 18 I C 2.286 178.014 176.117 -0.649 0.000 1.096 18 I CA 0.738 61.385 61.300 -1.089 0.000 1.408 18 I CB -0.052 37.564 38.000 -0.641 0.000 1.092 18 I HN 0.100 nan 8.210 nan 0.000 0.423 19 R N 0.294 120.480 120.500 -0.523 0.000 2.066 19 R HA -0.143 4.153 4.340 -0.073 0.000 0.232 19 R C 2.460 178.594 176.300 -0.276 0.000 1.131 19 R CA 1.538 57.364 56.100 -0.457 0.000 0.955 19 R CB -0.721 29.305 30.300 -0.457 0.000 0.851 19 R HN 0.253 nan 8.270 nan 0.000 0.432 20 S N 0.611 116.143 115.700 -0.281 0.000 2.393 20 S HA -0.205 4.221 4.470 -0.073 0.000 0.235 20 S C 1.610 176.246 174.600 0.061 0.000 1.061 20 S CA 1.707 59.827 58.200 -0.133 0.000 1.129 20 S CB -0.334 62.781 63.200 -0.142 0.000 1.011 20 S HN 0.459 nan 8.310 nan 0.000 0.436 21 W N 1.880 123.154 121.300 -0.044 0.000 2.359 21 W HA 0.212 4.828 4.660 -0.073 0.000 0.275 21 W C 1.716 178.298 176.519 0.104 0.000 1.217 21 W CA 0.340 57.704 57.345 0.033 0.000 1.196 21 W CB -2.055 27.417 29.460 0.020 0.000 1.129 21 W HN 0.287 nan 8.180 nan 0.000 0.566 22 S N -0.171 115.686 115.700 0.262 0.000 2.564 22 S HA 0.082 4.508 4.470 -0.073 0.000 0.278 22 S C -0.343 174.359 174.600 0.170 0.000 1.333 22 S CA -0.239 58.108 58.200 0.245 0.000 1.048 22 S CB 0.616 63.984 63.200 0.281 0.000 0.900 22 S HN 0.098 nan 8.310 nan 0.000 0.505 23 Y N 2.968 123.244 120.300 -0.041 0.000 2.720 23 Y HA 0.469 4.975 4.550 -0.073 0.000 0.268 23 Y C 0.919 176.705 175.900 -0.190 0.000 1.142 23 Y CA 0.523 58.556 58.100 -0.111 0.000 1.193 23 Y CB 0.467 38.833 38.460 -0.156 0.000 1.176 23 Y HN 0.992 nan 8.280 nan 0.000 0.542 24 G N 0.219 109.010 108.800 -0.015 0.000 2.339 24 G HA2 0.044 3.960 3.960 -0.073 0.000 0.381 24 G HA3 0.044 3.960 3.960 -0.073 0.000 0.381 24 G C -1.815 172.946 174.900 -0.232 0.000 1.400 24 G CA -1.067 43.968 45.100 -0.108 0.000 1.002 24 G HN -0.099 nan 8.290 nan 0.000 0.633 25 E N 0.668 120.645 120.200 -0.370 0.000 2.141 25 E HA 0.461 4.767 4.350 -0.073 0.000 0.259 25 E C 0.096 176.473 176.600 -0.371 0.000 0.883 25 E CA -0.556 55.402 56.400 -0.736 0.000 0.744 25 E CB 1.516 30.715 29.700 -0.836 0.000 1.150 25 E HN 0.478 nan 8.360 nan 0.000 0.420 26 V N 5.771 125.512 119.914 -0.288 0.000 2.475 26 V HA -0.098 3.978 4.120 -0.073 0.000 0.292 26 V C 1.278 177.290 176.094 -0.137 0.000 1.003 26 V CA 0.934 63.145 62.300 -0.148 0.000 1.120 26 V CB 0.130 31.894 31.823 -0.098 0.000 0.937 26 V HN 0.671 nan 8.190 nan 0.000 0.476 27 E N 3.548 123.692 120.200 -0.095 0.000 2.624 27 E HA 0.364 4.670 4.350 -0.073 0.000 0.210 27 E C -0.174 176.404 176.600 -0.036 0.000 0.997 27 E CA -0.473 55.885 56.400 -0.069 0.000 0.999 27 E CB 0.587 30.248 29.700 -0.065 0.000 1.040 27 E HN 0.663 nan 8.360 nan 0.000 0.469 28 K N 0.546 120.930 120.400 -0.027 0.000 2.557 28 K HA 0.241 4.517 4.320 -0.073 0.000 0.261 28 K C -2.596 174.007 176.600 0.005 0.000 0.932 28 K CA -2.043 54.240 56.287 -0.006 0.000 0.829 28 K CB 2.299 34.800 32.500 0.001 0.000 1.358 28 K HN -0.290 nan 8.250 nan 0.000 0.430 29 P HA -0.110 nan 4.420 nan 0.000 0.234 29 P C -0.718 176.613 177.300 0.052 0.000 1.167 29 P CA 0.701 63.821 63.100 0.034 0.000 0.763 29 P CB 0.225 31.948 31.700 0.038 0.000 0.835 30 E N -0.320 119.910 120.200 0.050 0.000 2.415 30 E HA 0.027 4.333 4.350 -0.073 0.000 0.263 30 E C 0.673 177.343 176.600 0.116 0.000 0.995 30 E CA 0.691 57.131 56.400 0.066 0.000 0.915 30 E CB 0.504 30.234 29.700 0.049 0.000 0.951 30 E HN 0.121 nan 8.360 nan 0.000 0.449 31 T N 2.424 117.056 114.554 0.130 0.000 3.115 31 T HA 0.283 4.589 4.350 -0.073 0.000 0.235 31 T C 0.773 175.528 174.700 0.092 0.000 0.999 31 T CA 0.316 62.553 62.100 0.228 0.000 1.276 31 T CB 0.322 69.286 68.868 0.160 0.000 0.967 31 T HN 0.377 nan 8.240 nan 0.000 0.420 32 I N 1.679 122.222 120.570 -0.044 0.000 2.667 32 I HA 0.288 4.414 4.170 -0.073 0.000 0.288 32 I C -1.577 174.508 176.117 -0.052 0.000 1.267 32 I CA -0.879 60.352 61.300 -0.114 0.000 1.055 32 I CB 2.271 40.091 38.000 -0.299 0.000 1.294 32 I HN 0.068 nan 8.210 nan 0.000 0.429 33 N N 3.033 121.702 118.700 -0.053 0.000 2.503 33 N HA 0.161 4.857 4.740 -0.073 0.000 0.267 33 N C 0.698 176.175 175.510 -0.055 0.000 1.214 33 N CA -0.258 52.740 53.050 -0.086 0.000 0.959 33 N CB 0.617 38.995 38.487 -0.183 0.000 1.142 33 N HN 0.571 nan 8.380 nan 0.000 0.455 34 Y N 0.563 120.900 120.300 0.062 0.000 2.220 34 Y HA 0.075 4.581 4.550 -0.073 0.000 0.291 34 Y C 2.025 177.963 175.900 0.064 0.000 1.129 34 Y CA 0.853 59.010 58.100 0.094 0.000 1.161 34 Y CB -0.317 38.200 38.460 0.095 0.000 0.997 34 Y HN 0.457 nan 8.280 nan 0.000 0.522 35 R N 0.861 121.213 120.500 -0.246 0.000 2.276 35 R HA -0.073 4.223 4.340 -0.073 0.000 0.243 35 R C -0.555 175.757 176.300 0.019 0.000 1.161 35 R CA 1.560 57.646 56.100 -0.023 0.000 1.007 35 R CB -0.218 29.987 30.300 -0.158 0.000 0.867 35 R HN 0.442 nan 8.270 nan 0.000 0.472 36 T N -0.415 114.140 114.554 0.002 0.000 3.193 36 T HA 0.210 4.516 4.350 -0.073 0.000 0.332 36 T C 0.106 174.818 174.700 0.019 0.000 1.208 36 T CA -0.671 61.438 62.100 0.016 0.000 1.080 36 T CB 1.681 70.542 68.868 -0.012 0.000 1.180 36 T HN 0.018 nan 8.240 nan 0.000 0.469 37 L N 1.615 122.859 121.223 0.037 0.000 2.885 37 L HA 0.114 4.410 4.340 -0.073 0.000 0.258 37 L C 0.900 177.736 176.870 -0.057 0.000 1.146 37 L CA 0.715 55.559 54.840 0.006 0.000 0.922 37 L CB -0.863 41.215 42.059 0.031 0.000 1.138 37 L HN 0.308 nan 8.230 nan 0.000 0.431 38 K N 0.626 121.000 120.400 -0.045 0.000 2.110 38 K HA 0.391 4.667 4.320 -0.073 0.000 0.263 38 K C -2.285 174.280 176.600 -0.058 0.000 0.975 38 K CA -2.031 54.230 56.287 -0.045 0.000 0.895 38 K CB 0.968 33.458 32.500 -0.017 0.000 1.060 38 K HN -0.215 nan 8.250 nan 0.000 0.448 39 P HA -0.045 nan 4.420 nan 0.000 0.267 39 P C -0.265 177.060 177.300 0.041 0.000 1.200 39 P CA 0.120 63.235 63.100 0.024 0.000 0.772 39 P CB 0.602 32.380 31.700 0.130 0.000 0.855 40 E N 2.513 122.749 120.200 0.060 0.000 3.570 40 E HA 0.041 4.347 4.350 -0.073 0.000 0.298 40 E C 1.388 178.016 176.600 0.046 0.000 1.489 40 E CA 0.014 56.436 56.400 0.037 0.000 1.457 40 E CB 0.169 29.890 29.700 0.035 0.000 1.247 40 E HN 0.308 nan 8.360 nan 0.000 0.778 41 R N 0.113 120.631 120.500 0.029 0.000 1.214 41 R HA -0.034 4.262 4.340 -0.073 0.000 0.080 41 R C -0.186 176.132 176.300 0.031 0.000 0.469 41 R CA 1.157 57.271 56.100 0.023 0.000 2.004 41 R CB -0.976 29.331 30.300 0.010 0.000 0.475 41 R HN 0.337 nan 8.270 nan 0.000 0.771 42 D N 1.513 121.922 120.400 0.016 0.000 2.619 42 D HA 0.257 4.853 4.640 -0.073 0.000 0.224 42 D C -0.139 176.170 176.300 0.015 0.000 1.133 42 D CA 0.252 54.255 54.000 0.006 0.000 1.017 42 D CB 0.740 41.528 40.800 -0.020 0.000 1.077 42 D HN 0.534 nan 8.370 nan 0.000 0.503 43 G N -0.244 108.588 108.800 0.054 0.000 2.788 43 G HA2 0.341 4.257 3.960 -0.073 0.000 0.293 43 G HA3 0.341 4.257 3.960 -0.073 0.000 0.293 43 G C 1.158 176.086 174.900 0.047 0.000 1.305 43 G CA -0.754 44.379 45.100 0.055 0.000 1.005 43 G HN 0.259 nan 8.290 nan 0.000 0.496 44 L N -1.223 119.931 121.223 -0.114 0.000 2.171 44 L HA -0.141 4.155 4.340 -0.073 0.000 0.216 44 L C 0.337 176.736 176.870 -0.786 0.000 1.084 44 L CA 1.411 55.932 54.840 -0.531 0.000 0.771 44 L CB -0.568 40.972 42.059 -0.864 0.000 0.890 44 L HN 0.260 nan 8.230 nan 0.000 0.437 45 F N -1.286 118.643 119.950 -0.035 0.000 2.508 45 F HA 0.562 5.045 4.527 -0.073 0.000 0.325 45 F C -0.265 175.610 175.800 0.124 0.000 1.090 45 F CA -1.071 56.922 58.000 -0.011 0.000 0.945 45 F CB 1.762 40.715 39.000 -0.078 0.000 1.156 45 F HN -0.224 nan 8.300 nan 0.000 0.463 46 D N 0.097 120.714 120.400 0.362 0.000 2.751 46 D HA 0.152 4.748 4.640 -0.073 0.000 0.236 46 D C 0.112 176.517 176.300 0.175 0.000 1.196 46 D CA -0.354 53.780 54.000 0.222 0.000 0.741 46 D CB 1.290 42.185 40.800 0.159 0.000 1.474 46 D HN 0.401 nan 8.370 nan 0.000 0.452 47 E N 1.516 121.780 120.200 0.106 0.000 2.106 47 E HA -0.113 4.193 4.350 -0.073 0.000 0.192 47 E C 1.651 178.287 176.600 0.059 0.000 0.984 47 E CA 0.756 57.203 56.400 0.078 0.000 0.806 47 E CB -0.044 29.692 29.700 0.060 0.000 0.750 47 E HN 0.466 nan 8.360 nan 0.000 0.458 48 R N 0.647 121.172 120.500 0.041 0.000 2.056 48 R HA -0.021 4.275 4.340 -0.073 0.000 0.227 48 R C 2.478 178.773 176.300 -0.008 0.000 1.149 48 R CA 0.784 56.894 56.100 0.017 0.000 0.937 48 R CB -0.214 30.085 30.300 -0.001 0.000 0.835 48 R HN 0.043 nan 8.270 nan 0.000 0.430 49 I N 0.354 120.875 120.570 -0.082 0.000 2.071 49 I HA -0.314 3.812 4.170 -0.073 0.000 0.214 49 I C 1.932 177.853 176.117 -0.327 0.000 1.020 49 I CA 1.550 62.672 61.300 -0.296 0.000 1.334 49 I CB -0.567 37.086 38.000 -0.577 0.000 1.073 49 I HN 0.156 nan 8.210 nan 0.000 0.388 50 F N 1.155 121.097 119.950 -0.013 0.000 2.722 50 F HA 0.179 4.662 4.527 -0.073 0.000 0.298 50 F C 1.230 176.973 175.800 -0.095 0.000 1.175 50 F CA 0.707 58.660 58.000 -0.077 0.000 1.462 50 F CB -0.998 37.951 39.000 -0.085 0.000 1.111 50 F HN 0.421 nan 8.300 nan 0.000 0.592 51 G N -0.951 107.886 108.800 0.062 0.000 2.384 51 G HA2 -0.009 3.907 3.960 -0.073 0.000 0.668 51 G HA3 -0.009 3.907 3.960 -0.073 0.000 0.668 51 G C -3.092 171.835 174.900 0.045 0.000 1.280 51 G CA -1.508 43.609 45.100 0.029 0.000 0.992 51 G HN -0.143 nan 8.290 nan 0.000 0.512 52 P HA 0.460 nan 4.420 nan 0.000 0.274 52 P C 0.773 178.083 177.300 0.017 0.000 1.260 52 P CA -0.345 62.768 63.100 0.021 0.000 0.793 52 P CB 0.738 32.439 31.700 0.002 0.000 1.048 53 I N -1.395 119.187 120.570 0.020 0.000 4.032 53 I HA 0.246 4.372 4.170 -0.073 0.000 0.313 53 I C 0.026 176.142 176.117 -0.002 0.000 1.272 53 I CA 0.977 62.284 61.300 0.012 0.000 1.307 53 I CB 0.081 38.092 38.000 0.018 0.000 1.155 53 I HN 0.020 nan 8.210 nan 0.000 0.431 54 K N 1.542 121.946 120.400 0.006 0.000 2.463 54 K HA 0.263 4.539 4.320 -0.073 0.000 0.255 54 K C -0.478 176.125 176.600 0.007 0.000 0.942 54 K CA -0.430 55.860 56.287 0.006 0.000 0.814 54 K CB 1.182 33.695 32.500 0.021 0.000 1.122 54 K HN 0.050 nan 8.250 nan 0.000 0.425 55 D N 1.784 122.175 120.400 -0.015 0.000 3.662 55 D HA -0.338 4.258 4.640 -0.073 0.000 0.166 55 D C 1.202 177.481 176.300 -0.035 0.000 0.980 55 D CA 1.659 55.641 54.000 -0.030 0.000 0.817 55 D CB -0.490 40.336 40.800 0.044 0.000 0.430 55 D HN 0.685 nan 8.370 nan 0.000 0.381 56 Y N 0.750 121.056 120.300 0.010 0.000 2.509 56 Y HA -0.024 4.482 4.550 -0.073 0.000 0.293 56 Y C 1.118 177.046 175.900 0.048 0.000 1.133 56 Y CA 0.623 58.736 58.100 0.021 0.000 1.283 56 Y CB 0.116 38.582 38.460 0.010 0.000 1.001 56 Y HN 0.146 nan 8.280 nan 0.000 0.555 57 E N -0.465 119.848 120.200 0.189 0.000 2.437 57 E HA -0.060 4.246 4.350 -0.073 0.000 0.263 57 E C 0.083 176.764 176.600 0.136 0.000 1.030 57 E CA -0.068 56.422 56.400 0.150 0.000 0.934 57 E CB 0.363 30.125 29.700 0.102 0.000 0.943 57 E HN 0.197 nan 8.360 nan 0.000 0.444 58 C N 2.077 121.470 119.300 0.155 0.000 2.470 58 C HA 0.551 4.967 4.460 -0.073 0.000 0.350 58 C C 1.887 176.938 174.990 0.101 0.000 1.341 58 C CA 0.214 59.321 59.018 0.148 0.000 2.440 58 C CB 0.147 28.017 27.740 0.217 0.000 2.295 58 C HN 0.841 nan 8.230 nan 0.000 0.645 59 A N 0.414 123.288 122.820 0.091 0.000 1.898 59 A HA -0.087 4.189 4.320 -0.073 0.000 0.216 59 A C 1.762 179.381 177.584 0.058 0.000 1.181 59 A CA 2.115 54.192 52.037 0.066 0.000 0.620 59 A CB -0.911 18.125 19.000 0.060 0.000 0.819 59 A HN 1.495 nan 8.150 nan 0.000 0.442 60 C N -3.539 115.800 119.300 0.066 0.000 3.115 60 C HA 0.615 5.031 4.460 -0.073 0.000 0.277 60 C C 1.445 176.466 174.990 0.051 0.000 1.460 60 C CA -0.079 58.969 59.018 0.049 0.000 1.789 60 C CB -0.564 27.200 27.740 0.040 0.000 2.674 60 C HN 1.749 nan 8.230 nan 0.000 0.582 61 G N 2.197 111.042 108.800 0.074 0.000 2.198 61 G HA2 -0.275 3.641 3.960 -0.073 0.000 0.260 61 G HA3 -0.275 3.641 3.960 -0.073 0.000 0.260 61 G C 0.958 175.889 174.900 0.051 0.000 1.025 61 G CA 0.641 45.785 45.100 0.074 0.000 0.769 61 G HN 0.537 nan 8.290 nan 0.000 0.507 62 K N -1.106 119.338 120.400 0.073 0.000 2.288 62 K HA 0.072 4.348 4.320 -0.073 0.000 0.201 62 K C 0.063 176.491 176.600 -0.288 0.000 1.048 62 K CA 0.965 57.209 56.287 -0.072 0.000 0.956 62 K CB -0.036 32.489 32.500 0.042 0.000 0.746 62 K HN 0.562 nan 8.250 nan 0.000 0.461 63 Y N -0.911 119.448 120.300 0.098 0.000 2.562 63 Y HA 0.307 4.813 4.550 -0.073 0.000 0.345 63 Y C -0.174 175.837 175.900 0.185 0.000 1.045 63 Y CA -0.975 57.242 58.100 0.195 0.000 1.028 63 Y CB 2.024 40.623 38.460 0.231 0.000 1.297 63 Y HN -0.298 nan 8.280 nan 0.000 0.463 64 K N 1.573 122.181 120.400 0.346 0.000 3.461 64 K HA 0.400 4.676 4.320 -0.073 0.000 0.173 64 K C -0.833 175.803 176.600 0.059 0.000 1.017 64 K CA -0.293 56.104 56.287 0.182 0.000 0.848 64 K CB 0.949 33.518 32.500 0.115 0.000 0.733 64 K HN 0.527 nan 8.250 nan 0.000 0.475 65 R N -0.135 120.350 120.500 -0.025 0.000 2.756 65 R HA 0.182 4.478 4.340 -0.073 0.000 0.273 65 R C 0.217 176.158 176.300 -0.598 0.000 1.030 65 R CA -0.464 55.451 56.100 -0.310 0.000 0.887 65 R CB 0.600 30.657 30.300 -0.405 0.000 1.274 65 R HN -0.039 nan 8.270 nan 0.000 0.461 66 Q N 0.439 119.707 119.800 -0.888 0.000 2.123 66 Q HA -0.113 4.183 4.340 -0.073 0.000 0.199 66 Q C 1.376 177.074 176.000 -0.504 0.000 0.966 66 Q CA 1.208 56.367 55.803 -1.074 0.000 0.845 66 Q CB -0.161 28.099 28.738 -0.796 0.000 0.907 66 Q HN 0.364 nan 8.270 nan 0.000 0.439 67 R N 1.404 121.597 120.500 -0.511 0.000 2.133 67 R HA -0.136 4.160 4.340 -0.073 0.000 0.245 67 R C 0.959 177.154 176.300 -0.174 0.000 1.137 67 R CA 1.494 57.353 56.100 -0.403 0.000 0.947 67 R CB -0.626 29.296 30.300 -0.630 0.000 0.865 67 R HN 0.293 nan 8.270 nan 0.000 0.437 68 F N 0.889 120.825 119.950 -0.022 0.000 2.833 68 F HA 0.135 4.618 4.527 -0.073 0.000 0.327 68 F C 1.345 177.150 175.800 0.009 0.000 1.184 68 F CA -0.909 57.092 58.000 0.002 0.000 1.328 68 F CB -0.047 38.982 39.000 0.050 0.000 1.440 68 F HN 0.194 nan 8.300 nan 0.000 0.569 69 E N 2.111 122.396 120.200 0.142 0.000 1.957 69 E HA -0.110 4.196 4.350 -0.073 0.000 0.214 69 E C 2.084 178.772 176.600 0.148 0.000 0.922 69 E CA 1.286 57.795 56.400 0.181 0.000 0.977 69 E CB -0.485 29.297 29.700 0.136 0.000 0.841 69 E HN 0.329 nan 8.360 nan 0.000 0.583 70 G N 1.003 109.865 108.800 0.103 0.000 3.325 70 G HA2 0.055 3.971 3.960 -0.073 0.000 0.242 70 G HA3 0.055 3.971 3.960 -0.073 0.000 0.242 70 G C -0.453 174.468 174.900 0.034 0.000 1.120 70 G CA 0.131 45.271 45.100 0.066 0.000 1.778 70 G HN 0.041 nan 8.290 nan 0.000 0.610 71 K N -0.701 119.709 120.400 0.016 0.000 2.482 71 K HA 0.608 4.884 4.320 -0.073 0.000 0.257 71 K C -1.032 175.496 176.600 -0.120 0.000 0.969 71 K CA -0.840 55.418 56.287 -0.048 0.000 0.842 71 K CB 2.897 35.364 32.500 -0.054 0.000 1.359 71 K HN -0.038 nan 8.250 nan 0.000 0.441 72 V N 0.391 120.218 119.914 -0.145 0.000 2.994 72 V HA 0.359 4.435 4.120 -0.073 0.000 0.318 72 V C -0.147 175.806 176.094 -0.236 0.000 1.085 72 V CA -0.990 61.212 62.300 -0.164 0.000 0.998 72 V CB 1.881 33.659 31.823 -0.075 0.000 1.063 72 V HN 1.013 nan 8.190 nan 0.000 0.447 73 C N 1.340 120.541 119.300 -0.165 0.000 2.382 73 C HA 0.547 4.963 4.460 -0.073 0.000 0.363 73 C C 1.291 176.295 174.990 0.022 0.000 1.213 73 C CA -0.078 58.919 59.018 -0.036 0.000 2.363 73 C CB 0.865 28.657 27.740 0.086 0.000 2.397 73 C HN 1.033 nan 8.230 nan 0.000 0.573 74 E N 1.242 121.484 120.200 0.071 0.000 2.094 74 E HA 0.080 4.386 4.350 -0.073 0.000 0.193 74 E C 2.269 178.893 176.600 0.041 0.000 0.950 74 E CA 0.437 56.862 56.400 0.042 0.000 0.842 74 E CB -0.171 29.554 29.700 0.042 0.000 0.816 74 E HN 0.516 nan 8.360 nan 0.000 0.465 75 R N 0.359 120.893 120.500 0.055 0.000 2.103 75 R HA -0.089 4.207 4.340 -0.073 0.000 0.242 75 R C 1.993 178.315 176.300 0.037 0.000 1.142 75 R CA 1.450 57.574 56.100 0.040 0.000 0.960 75 R CB -0.877 29.448 30.300 0.041 0.000 0.858 75 R HN 0.328 nan 8.270 nan 0.000 0.439 76 C N -2.655 116.675 119.300 0.050 0.000 2.553 76 C HA 0.438 4.854 4.460 -0.073 0.000 0.447 76 C C 0.829 175.839 174.990 0.035 0.000 1.351 76 C CA 0.112 59.155 59.018 0.042 0.000 2.354 76 C CB 0.032 27.803 27.740 0.053 0.000 2.905 76 C HN 0.681 nan 8.230 nan 0.000 0.554 77 G N 0.891 109.714 108.800 0.038 0.000 3.292 77 G HA2 0.068 3.984 3.960 -0.073 0.000 0.636 77 G HA3 0.068 3.984 3.960 -0.073 0.000 0.636 77 G C -0.972 173.944 174.900 0.026 0.000 1.069 77 G CA -0.022 45.091 45.100 0.021 0.000 0.890 77 G HN 0.732 nan 8.290 nan 0.000 0.427 78 V N 3.387 123.313 119.914 0.020 0.000 2.934 78 V HA 0.228 4.304 4.120 -0.073 0.000 0.254 78 V C 0.541 176.646 176.094 0.018 0.000 0.984 78 V CA -0.174 62.144 62.300 0.031 0.000 0.938 78 V CB 1.201 33.053 31.823 0.049 0.000 1.046 78 V HN 1.088 nan 8.190 nan 0.000 0.505 79 E N 2.796 123.010 120.200 0.024 0.000 2.683 79 E HA 0.491 4.797 4.350 -0.073 0.000 0.266 79 E C -0.786 175.832 176.600 0.030 0.000 1.434 79 E CA 0.185 56.599 56.400 0.023 0.000 1.137 79 E CB 1.478 31.209 29.700 0.051 0.000 0.992 79 E HN 0.525 nan 8.360 nan 0.000 0.607 80 V N -0.053 119.879 119.914 0.029 0.000 2.946 80 V HA 0.319 4.395 4.120 -0.073 0.000 0.258 80 V C -1.601 174.423 176.094 -0.117 0.000 1.726 80 V CA -0.195 62.097 62.300 -0.014 0.000 0.940 80 V CB 1.921 33.764 31.823 0.034 0.000 1.309 80 V HN 0.824 nan 8.190 nan 0.000 0.458 81 T N 5.111 119.495 114.554 -0.283 0.000 2.885 81 T HA 0.423 4.729 4.350 -0.073 0.000 0.322 81 T C -0.746 173.706 174.700 -0.415 0.000 1.387 81 T CA -0.729 61.033 62.100 -0.564 0.000 1.041 81 T CB 2.022 70.701 68.868 -0.313 0.000 1.287 81 T HN 0.904 nan 8.240 nan 0.000 0.491 82 K N 0.781 120.907 120.400 -0.457 0.000 2.414 82 K HA -0.028 4.248 4.320 -0.073 0.000 0.266 82 K C 1.555 178.045 176.600 -0.183 0.000 0.976 82 K CA 0.385 56.521 56.287 -0.251 0.000 0.884 82 K CB 0.057 32.444 32.500 -0.189 0.000 0.959 82 K HN 0.595 nan 8.250 nan 0.000 0.531 83 S N 0.977 116.599 115.700 -0.130 0.000 2.399 83 S HA -0.282 4.144 4.470 -0.073 0.000 0.235 83 S C 1.945 176.445 174.600 -0.166 0.000 1.063 83 S CA 2.151 60.282 58.200 -0.114 0.000 1.070 83 S CB -0.971 62.178 63.200 -0.085 0.000 0.904 83 S HN 0.724 nan 8.310 nan 0.000 0.456 84 I N 1.301 121.743 120.570 -0.212 0.000 2.231 84 I HA -0.292 3.834 4.170 -0.073 0.000 0.251 84 I C 2.170 178.012 176.117 -0.458 0.000 1.076 84 I CA 2.003 63.097 61.300 -0.343 0.000 1.347 84 I CB -1.370 36.430 38.000 -0.334 0.000 1.038 84 I HN 0.342 nan 8.210 nan 0.000 0.429 85 V N 0.174 119.911 119.914 -0.294 0.000 2.427 85 V HA -0.219 3.857 4.120 -0.073 0.000 0.248 85 V C 2.818 178.809 176.094 -0.171 0.000 1.051 85 V CA 1.966 64.128 62.300 -0.230 0.000 1.048 85 V CB -1.317 30.416 31.823 -0.150 0.000 0.666 85 V HN 0.564 nan 8.190 nan 0.000 0.456 86 R N 1.934 122.357 120.500 -0.128 0.000 2.371 86 R HA -0.182 4.114 4.340 -0.073 0.000 0.226 86 R C 2.282 178.560 176.300 -0.036 0.000 1.132 86 R CA 1.870 57.945 56.100 -0.042 0.000 1.027 86 R CB -0.138 30.150 30.300 -0.019 0.000 0.848 86 R HN 0.804 nan 8.270 nan 0.000 0.479 87 R N -2.263 118.184 120.500 -0.089 0.000 2.250 87 R HA 0.056 4.352 4.340 -0.073 0.000 0.194 87 R C 1.352 177.759 176.300 0.178 0.000 0.927 87 R CA 0.311 56.409 56.100 -0.004 0.000 1.052 87 R CB -0.412 29.865 30.300 -0.038 0.000 1.055 87 R HN 0.285 nan 8.270 nan 0.000 0.537 88 Y N 1.154 121.410 120.300 -0.072 0.000 2.519 88 Y HA 0.209 4.715 4.550 -0.073 0.000 0.287 88 Y C 0.568 176.397 175.900 -0.119 0.000 1.128 88 Y CA -0.676 57.370 58.100 -0.090 0.000 1.282 88 Y CB 0.349 38.754 38.460 -0.092 0.000 1.027 88 Y HN -0.107 nan 8.280 nan 0.000 0.551 89 R N 0.796 121.306 120.500 0.017 0.000 2.539 89 R HA 0.295 4.591 4.340 -0.073 0.000 0.275 89 R C -0.328 176.028 176.300 0.092 0.000 1.077 89 R CA 0.439 56.460 56.100 -0.132 0.000 1.097 89 R CB 0.694 30.773 30.300 -0.370 0.000 1.018 89 R HN 0.056 nan 8.270 nan 0.000 0.483 90 M N -0.004 119.651 119.600 0.092 0.000 2.761 90 M HA 0.646 5.082 4.480 -0.073 0.000 0.305 90 M C -0.032 176.386 176.300 0.198 0.000 1.235 90 M CA -0.825 54.614 55.300 0.232 0.000 0.850 90 M CB 2.661 35.373 32.600 0.186 0.000 1.744 90 M HN 0.765 nan 8.290 nan 0.000 0.480 91 G N -0.561 108.386 108.800 0.246 0.000 2.684 91 G HA2 0.646 4.561 3.960 -0.073 0.000 0.290 91 G HA3 0.646 4.561 3.960 -0.073 0.000 0.290 91 G C -1.650 173.361 174.900 0.186 0.000 1.425 91 G CA -0.515 44.649 45.100 0.107 0.000 0.822 91 G HN 0.849 nan 8.290 nan 0.000 0.482 92 H N -1.535 117.536 119.070 0.003 0.000 3.117 92 H HA 0.785 5.297 4.556 -0.073 0.000 0.288 92 H C -1.112 174.202 175.328 -0.024 0.000 1.604 92 H CA -1.394 54.653 56.048 -0.002 0.000 1.488 92 H CB 1.715 31.463 29.762 -0.024 0.000 1.813 92 H HN 0.421 nan 8.280 nan 0.000 0.817 93 I N 0.950 121.540 120.570 0.034 0.000 2.588 93 I HA 0.037 4.163 4.170 -0.073 0.000 0.278 93 I C -0.849 175.310 176.117 0.070 0.000 1.144 93 I CA -0.515 60.762 61.300 -0.037 0.000 1.074 93 I CB 1.850 39.848 38.000 -0.004 0.000 1.235 93 I HN 0.460 nan 8.210 nan 0.000 0.472 94 E N 5.089 125.352 120.200 0.106 0.000 2.341 94 E HA 0.207 4.513 4.350 -0.073 0.000 0.256 94 E C -0.779 175.842 176.600 0.034 0.000 1.125 94 E CA -0.040 56.423 56.400 0.106 0.000 0.939 94 E CB 0.369 30.129 29.700 0.100 0.000 0.991 94 E HN 0.295 nan 8.360 nan 0.000 0.458 95 L N 3.283 124.519 121.223 0.021 0.000 2.436 95 L HA 0.275 4.571 4.340 -0.073 0.000 0.265 95 L C 1.323 178.189 176.870 -0.006 0.000 1.168 95 L CA 0.411 55.253 54.840 0.003 0.000 0.815 95 L CB 0.821 42.877 42.059 -0.005 0.000 1.109 95 L HN 0.650 nan 8.230 nan 0.000 0.462 96 A N 1.418 124.231 122.820 -0.011 0.000 1.819 96 A HA 0.033 4.309 4.320 -0.073 0.000 0.215 96 A C 0.887 178.456 177.584 -0.024 0.000 1.226 96 A CA 1.153 53.180 52.037 -0.016 0.000 0.608 96 A CB -0.481 18.509 19.000 -0.017 0.000 0.877 96 A HN 0.653 nan 8.150 nan 0.000 0.452 97 T N 1.564 116.098 114.554 -0.033 0.000 2.794 97 T HA 0.538 4.844 4.350 -0.073 0.000 0.280 97 T C -2.527 172.140 174.700 -0.055 0.000 0.987 97 T CA -0.934 61.138 62.100 -0.047 0.000 0.993 97 T CB 1.493 70.327 68.868 -0.057 0.000 0.939 97 T HN 0.115 nan 8.240 nan 0.000 0.449 98 P HA 0.444 nan 4.420 nan 0.000 0.272 98 P C -1.336 175.908 177.300 -0.092 0.000 1.248 98 P CA -0.342 62.722 63.100 -0.060 0.000 0.799 98 P CB 0.431 32.100 31.700 -0.051 0.000 0.997 99 A N -0.210 122.567 122.820 -0.072 0.000 2.555 99 A HA 0.659 4.935 4.320 -0.073 0.000 0.297 99 A C -1.102 176.487 177.584 0.007 0.000 1.060 99 A CA -0.363 51.625 52.037 -0.082 0.000 0.710 99 A CB 0.954 19.906 19.000 -0.079 0.000 1.282 99 A HN 0.515 nan 8.150 nan 0.000 0.399 100 A N 0.764 123.644 122.820 0.100 0.000 2.279 100 A HA 0.638 4.914 4.320 -0.073 0.000 0.303 100 A C 0.062 177.793 177.584 0.245 0.000 1.108 100 A CA -0.377 51.793 52.037 0.223 0.000 0.830 100 A CB 0.107 19.335 19.000 0.380 0.000 1.106 100 A HN 1.049 nan 8.150 nan 0.000 0.493 101 H N 1.275 120.402 119.070 0.095 0.000 3.191 101 H HA 0.046 4.558 4.556 -0.073 0.000 0.261 101 H C 1.203 176.556 175.328 0.041 0.000 1.013 101 H CA -0.201 55.804 56.048 -0.071 0.000 1.457 101 H CB 0.093 29.614 29.762 -0.402 0.000 1.535 101 H HN 0.653 nan 8.280 nan 0.000 0.518 102 I N 5.368 126.112 120.570 0.290 0.000 2.229 102 I HA -0.380 3.746 4.170 -0.073 0.000 0.250 102 I C 1.299 177.557 176.117 0.235 0.000 1.096 102 I CA 1.421 62.884 61.300 0.273 0.000 1.358 102 I CB -0.129 38.040 38.000 0.282 0.000 1.047 102 I HN 0.742 nan 8.210 nan 0.000 0.422 103 W N 0.326 121.489 121.300 -0.228 0.000 2.290 103 W HA -0.274 4.342 4.660 -0.073 0.000 0.311 103 W C 2.436 178.936 176.519 -0.031 0.000 1.238 103 W CA 1.716 58.873 57.345 -0.313 0.000 1.255 103 W CB -1.163 27.796 29.460 -0.834 0.000 1.145 103 W HN 0.169 nan 8.180 nan 0.000 0.506 104 F N -1.816 118.253 119.950 0.199 0.000 2.710 104 F HA -0.046 4.437 4.527 -0.073 0.000 0.298 104 F C 1.691 177.555 175.800 0.107 0.000 1.137 104 F CA 0.080 58.174 58.000 0.156 0.000 1.444 104 F CB -0.152 38.970 39.000 0.203 0.000 1.111 104 F HN -0.336 nan 8.300 nan 0.000 0.580 105 V N -1.358 118.714 119.914 0.263 0.000 3.263 105 V HA 0.023 4.099 4.120 -0.073 0.000 0.248 105 V C 1.229 177.349 176.094 0.044 0.000 1.145 105 V CA 0.817 63.185 62.300 0.113 0.000 1.107 105 V CB 0.035 31.894 31.823 0.060 0.000 0.797 105 V HN 0.036 nan 8.190 nan 0.000 0.467 106 K N 0.960 121.395 120.400 0.058 0.000 2.699 106 K HA 0.343 4.619 4.320 -0.073 0.000 0.210 106 K C -0.830 175.750 176.600 -0.034 0.000 1.076 106 K CA 0.010 56.296 56.287 -0.002 0.000 1.109 106 K CB 0.628 33.127 32.500 -0.003 0.000 0.862 106 K HN 0.343 nan 8.250 nan 0.000 0.470 107 D N -0.474 119.911 120.400 -0.024 0.000 2.256 107 D HA 0.135 4.731 4.640 -0.073 0.000 0.246 107 D C 1.513 177.753 176.300 -0.100 0.000 1.042 107 D CA -0.421 53.527 54.000 -0.086 0.000 0.841 107 D CB 1.819 42.581 40.800 -0.065 0.000 1.223 107 D HN -0.260 nan 8.370 nan 0.000 0.470 108 V N 3.428 123.254 119.914 -0.147 0.000 2.240 108 V HA -0.224 3.852 4.120 -0.073 0.000 0.257 108 V C -1.306 174.730 176.094 -0.097 0.000 1.067 108 V CA 1.539 63.763 62.300 -0.127 0.000 1.067 108 V CB -1.631 30.095 31.823 -0.162 0.000 0.683 108 V HN 0.716 nan 8.190 nan 0.000 0.461 109 P HA 0.204 nan 4.420 nan 0.000 0.247 109 P C -0.219 177.069 177.300 -0.021 0.000 1.756 109 P CA 0.264 63.330 63.100 -0.055 0.000 1.117 109 P CB 0.359 32.030 31.700 -0.048 0.000 1.869 110 S N 3.724 119.417 115.700 -0.011 0.000 2.870 110 S HA -0.063 4.363 4.470 -0.073 0.000 0.334 110 S C 1.589 176.211 174.600 0.037 0.000 1.115 110 S CA -0.084 58.127 58.200 0.020 0.000 1.570 110 S CB -0.373 62.828 63.200 0.001 0.000 1.405 110 S HN 0.113 nan 8.310 nan 0.000 0.605 111 K N 3.265 123.695 120.400 0.051 0.000 2.163 111 K HA -0.215 4.061 4.320 -0.073 0.000 0.210 111 K C 1.601 178.226 176.600 0.042 0.000 1.048 111 K CA 1.985 58.294 56.287 0.036 0.000 0.928 111 K CB -0.627 31.840 32.500 -0.056 0.000 0.716 111 K HN 0.922 nan 8.250 nan 0.000 0.459 112 I N -3.383 117.233 120.570 0.077 0.000 3.728 112 I HA 0.165 4.291 4.170 -0.073 0.000 0.307 112 I C 1.524 177.674 176.117 0.055 0.000 1.276 112 I CA 0.913 62.261 61.300 0.080 0.000 1.285 112 I CB 0.282 38.388 38.000 0.176 0.000 1.038 112 I HN -0.060 nan 8.210 nan 0.000 0.445 113 G N -0.198 108.622 108.800 0.033 0.000 3.020 113 G HA2 0.086 4.002 3.960 -0.073 0.000 0.217 113 G HA3 0.086 4.002 3.960 -0.073 0.000 0.217 113 G C 1.102 176.006 174.900 0.006 0.000 1.144 113 G CA 0.660 45.770 45.100 0.016 0.000 0.760 113 G HN 0.362 nan 8.290 nan 0.000 0.548 114 T N 0.660 115.217 114.554 0.004 0.000 3.031 114 T HA 0.108 4.414 4.350 -0.073 0.000 0.236 114 T C 2.205 176.893 174.700 -0.020 0.000 1.005 114 T CA 0.058 62.157 62.100 -0.002 0.000 1.230 114 T CB -0.348 68.526 68.868 0.010 0.000 0.913 114 T HN 0.033 nan 8.240 nan 0.000 0.419 115 L N 0.452 121.651 121.223 -0.041 0.000 2.197 115 L HA 0.022 4.318 4.340 -0.073 0.000 0.215 115 L C 0.083 176.901 176.870 -0.088 0.000 1.095 115 L CA 1.068 55.846 54.840 -0.104 0.000 0.764 115 L CB -0.081 41.852 42.059 -0.209 0.000 0.897 115 L HN 0.207 nan 8.230 nan 0.000 0.436 116 L N -0.167 121.028 121.223 -0.046 0.000 2.333 116 L HA 0.235 4.531 4.340 -0.073 0.000 0.280 116 L C -0.765 176.098 176.870 -0.011 0.000 1.004 116 L CA -0.678 54.146 54.840 -0.027 0.000 0.820 116 L CB 1.592 43.651 42.059 0.001 0.000 1.247 116 L HN -0.176 nan 8.230 nan 0.000 0.416 117 D N 3.943 124.336 120.400 -0.012 0.000 2.508 117 D HA 0.430 5.026 4.640 -0.073 0.000 0.224 117 D C -0.637 175.667 176.300 0.006 0.000 1.171 117 D CA 0.174 54.172 54.000 -0.005 0.000 1.006 117 D CB 0.269 41.063 40.800 -0.008 0.000 1.073 117 D HN 0.067 nan 8.370 nan 0.000 0.513 118 L N 0.077 121.307 121.223 0.013 0.000 2.277 118 L HA 0.404 4.700 4.340 -0.073 0.000 0.254 118 L C 0.409 177.288 176.870 0.016 0.000 1.044 118 L CA -0.943 53.911 54.840 0.023 0.000 0.842 118 L CB 1.218 43.304 42.059 0.044 0.000 1.422 118 L HN -0.097 nan 8.230 nan 0.000 0.422 119 S N 1.250 116.960 115.700 0.017 0.000 2.643 119 S HA 0.078 4.504 4.470 -0.073 0.000 0.329 119 S C 1.474 176.073 174.600 -0.002 0.000 1.193 119 S CA 0.225 58.428 58.200 0.006 0.000 1.293 119 S CB -0.050 63.153 63.200 0.006 0.000 1.205 119 S HN 0.733 nan 8.310 nan 0.000 0.550 120 A N 3.596 126.412 122.820 -0.006 0.000 2.195 120 A HA -0.231 4.045 4.320 -0.073 0.000 0.225 120 A C 1.679 179.248 177.584 -0.025 0.000 1.176 120 A CA 2.292 54.322 52.037 -0.012 0.000 0.681 120 A CB -0.534 18.458 19.000 -0.013 0.000 0.817 120 A HN 0.756 nan 8.150 nan 0.000 0.487 121 T N -4.089 110.448 114.554 -0.030 0.000 3.524 121 T HA 0.120 4.426 4.350 -0.073 0.000 0.300 121 T C 0.899 175.572 174.700 -0.045 0.000 0.872 121 T CA 0.273 62.345 62.100 -0.047 0.000 0.888 121 T CB 0.078 68.917 68.868 -0.048 0.000 1.216 121 T HN 0.265 nan 8.240 nan 0.000 0.724 122 E N 0.699 120.883 120.200 -0.026 0.000 2.465 122 E HA 0.379 4.685 4.350 -0.073 0.000 0.209 122 E C 1.506 178.108 176.600 0.003 0.000 0.951 122 E CA 0.056 56.444 56.400 -0.020 0.000 0.997 122 E CB 0.432 30.120 29.700 -0.020 0.000 1.025 122 E HN 0.386 nan 8.360 nan 0.000 0.500 123 L N 0.801 122.034 121.223 0.016 0.000 2.049 123 L HA -0.054 4.242 4.340 -0.073 0.000 0.203 123 L C 2.013 178.940 176.870 0.095 0.000 1.074 123 L CA 1.254 56.124 54.840 0.050 0.000 0.749 123 L CB 0.010 42.099 42.059 0.050 0.000 0.907 123 L HN 0.001 nan 8.230 nan 0.000 0.439 124 E N -0.574 119.670 120.200 0.073 0.000 2.021 124 E HA -0.358 3.948 4.350 -0.073 0.000 0.200 124 E C 2.085 178.789 176.600 0.174 0.000 1.015 124 E CA 1.660 58.126 56.400 0.110 0.000 0.824 124 E CB -0.230 29.317 29.700 -0.255 0.000 0.762 124 E HN 0.320 nan 8.360 nan 0.000 0.454 125 Q N 0.237 120.068 119.800 0.051 0.000 2.366 125 Q HA -0.191 4.105 4.340 -0.073 0.000 0.214 125 Q C 1.827 177.922 176.000 0.158 0.000 0.994 125 Q CA 1.197 57.041 55.803 0.068 0.000 0.909 125 Q CB -0.063 28.653 28.738 -0.037 0.000 0.918 125 Q HN 0.174 nan 8.270 nan 0.000 0.436 126 V N -0.828 119.183 119.914 0.162 0.000 2.575 126 V HA -0.122 3.954 4.120 -0.073 0.000 0.242 126 V C 1.792 178.079 176.094 0.321 0.000 1.045 126 V CA 1.271 63.679 62.300 0.180 0.000 1.065 126 V CB -0.391 31.487 31.823 0.091 0.000 0.717 126 V HN 0.488 nan 8.190 nan 0.000 0.467 127 L N -2.087 119.319 121.223 0.305 0.000 2.145 127 L HA 0.156 4.452 4.340 -0.073 0.000 0.201 127 L C 2.308 179.350 176.870 0.287 0.000 1.075 127 L CA 1.416 56.418 54.840 0.270 0.000 0.773 127 L CB -1.401 40.782 42.059 0.205 0.000 0.936 127 L HN 0.170 nan 8.230 nan 0.000 0.451 128 Y N 0.860 121.263 120.300 0.172 0.000 2.016 128 Y HA -0.213 4.293 4.550 -0.073 0.000 0.224 128 Y C 2.091 178.054 175.900 0.105 0.000 1.030 128 Y CA 2.113 60.293 58.100 0.133 0.000 1.010 128 Y CB -1.303 37.330 38.460 0.288 0.000 0.939 128 Y HN 0.108 nan 8.280 nan 0.000 0.514 129 F N 0.009 120.135 119.950 0.293 0.000 2.729 129 F HA 0.101 4.584 4.527 -0.073 0.000 0.299 129 F C 1.038 176.927 175.800 0.148 0.000 1.292 129 F CA 0.817 58.924 58.000 0.178 0.000 1.450 129 F CB -0.883 38.209 39.000 0.154 0.000 1.109 129 F HN -0.095 nan 8.300 nan 0.000 0.561 130 S N -0.796 115.073 115.700 0.282 0.000 2.973 130 S HA 0.440 4.866 4.470 -0.073 0.000 0.317 130 S C 0.280 174.904 174.600 0.039 0.000 1.196 130 S CA -0.735 57.597 58.200 0.220 0.000 0.894 130 S CB 1.277 64.740 63.200 0.438 0.000 1.292 130 S HN 0.095 nan 8.310 nan 0.000 0.614 131 K N 0.472 120.759 120.400 -0.188 0.000 2.514 131 K HA 0.250 4.526 4.320 -0.073 0.000 0.207 131 K C -1.209 175.023 176.600 -0.613 0.000 1.035 131 K CA 0.019 56.091 56.287 -0.359 0.000 1.113 131 K CB 0.219 32.517 32.500 -0.337 0.000 0.846 131 K HN 0.452 nan 8.250 nan 0.000 0.491 132 Y N 1.084 121.406 120.300 0.035 0.000 2.636 132 Y HA 0.129 4.635 4.550 -0.073 0.000 0.341 132 Y C 0.433 176.320 175.900 -0.023 0.000 1.169 132 Y CA -1.034 57.077 58.100 0.019 0.000 1.498 132 Y CB -0.464 38.023 38.460 0.045 0.000 1.362 132 Y HN -0.047 nan 8.280 nan 0.000 0.494 133 I N 2.184 122.688 120.570 -0.109 0.000 3.207 133 I HA -0.217 3.909 4.170 -0.073 0.000 0.318 133 I C 0.119 176.196 176.117 -0.068 0.000 1.200 133 I CA 0.833 62.028 61.300 -0.176 0.000 1.451 133 I CB 0.075 37.821 38.000 -0.423 0.000 1.299 133 I HN 0.214 nan 8.210 nan 0.000 0.564 134 V N 7.190 127.056 119.914 -0.080 0.000 2.385 134 V HA 0.208 4.284 4.120 -0.073 0.000 0.277 134 V C -0.081 175.981 176.094 -0.053 0.000 1.012 134 V CA -0.815 61.466 62.300 -0.032 0.000 0.832 134 V CB 1.161 32.980 31.823 -0.007 0.000 1.028 134 V HN 0.575 nan 8.190 nan 0.000 0.436 135 L N 4.000 125.197 121.223 -0.044 0.000 2.852 135 L HA -0.026 4.270 4.340 -0.073 0.000 0.281 135 L C 0.910 177.766 176.870 -0.023 0.000 1.110 135 L CA 0.731 55.550 54.840 -0.035 0.000 1.030 135 L CB 0.052 42.107 42.059 -0.006 0.000 1.405 135 L HN 0.621 nan 8.230 nan 0.000 0.464 136 D N 6.037 126.418 120.400 -0.031 0.000 2.025 136 D HA 0.119 4.715 4.640 -0.073 0.000 0.270 136 D C -1.615 174.678 176.300 -0.011 0.000 1.135 136 D CA -0.582 53.404 54.000 -0.024 0.000 0.978 136 D CB -0.237 40.545 40.800 -0.030 0.000 1.178 136 D HN 0.351 nan 8.370 nan 0.000 0.487 137 P HA 0.027 nan 4.420 nan 0.000 0.335 137 P C -0.644 176.663 177.300 0.012 0.000 1.416 137 P CA -0.068 63.032 63.100 -0.000 0.000 0.828 137 P CB 0.146 31.844 31.700 -0.003 0.000 1.966 138 K N -0.755 119.657 120.400 0.020 0.000 2.558 138 K HA 0.103 4.379 4.320 -0.073 0.000 0.269 138 K C 0.618 177.248 176.600 0.050 0.000 0.999 138 K CA 1.809 58.120 56.287 0.039 0.000 1.103 138 K CB -0.925 31.606 32.500 0.052 0.000 0.800 138 K HN 0.671 nan 8.250 nan 0.000 0.475 139 G N 1.837 110.675 108.800 0.063 0.000 4.379 139 G HA2 0.468 4.384 3.960 -0.073 0.000 0.243 139 G HA3 0.468 4.384 3.960 -0.073 0.000 0.243 139 G C 0.568 175.519 174.900 0.085 0.000 1.009 139 G CA 0.034 45.179 45.100 0.076 0.000 0.646 139 G HN 0.709 nan 8.290 nan 0.000 0.475 140 A N 1.649 124.535 122.820 0.109 0.000 2.573 140 A HA -0.025 4.250 4.320 -0.073 0.000 0.211 140 A C 1.453 179.081 177.584 0.074 0.000 1.231 140 A CA 1.363 53.456 52.037 0.093 0.000 0.977 140 A CB -0.985 18.088 19.000 0.121 0.000 0.761 140 A HN 0.934 nan 8.150 nan 0.000 0.549 141 I N -0.592 120.029 120.570 0.086 0.000 3.347 141 I HA 0.022 4.148 4.170 -0.073 0.000 0.311 141 I C 0.245 176.402 176.117 0.067 0.000 1.205 141 I CA 0.523 61.869 61.300 0.076 0.000 1.417 141 I CB -0.645 37.412 38.000 0.095 0.000 1.297 141 I HN 0.499 nan 8.210 nan 0.000 0.569 142 L N 2.149 123.408 121.223 0.060 0.000 2.322 142 L HA 0.592 4.888 4.340 -0.073 0.000 0.269 142 L C 0.248 177.154 176.870 0.060 0.000 1.012 142 L CA -0.573 54.299 54.840 0.054 0.000 0.815 142 L CB 0.720 42.805 42.059 0.043 0.000 1.295 142 L HN 0.625 nan 8.230 nan 0.000 0.438 143 N N -0.436 118.298 118.700 0.058 0.000 2.416 143 N HA 0.334 5.030 4.740 -0.073 0.000 0.267 143 N C 0.693 176.235 175.510 0.053 0.000 1.294 143 N CA 0.391 53.478 53.050 0.062 0.000 0.891 143 N CB 1.503 40.031 38.487 0.068 0.000 1.238 143 N HN 1.085 nan 8.380 nan 0.000 0.508 144 G N -0.572 108.255 108.800 0.045 0.000 2.541 144 G HA2 -0.210 3.706 3.960 -0.073 0.000 0.201 144 G HA3 -0.210 3.706 3.960 -0.073 0.000 0.201 144 G C -0.464 174.455 174.900 0.032 0.000 1.026 144 G CA 0.146 45.269 45.100 0.037 0.000 0.687 144 G HN 0.305 nan 8.290 nan 0.000 0.492 145 V N 2.595 122.530 119.914 0.034 0.000 3.164 145 V HA 0.821 4.897 4.120 -0.073 0.000 0.313 145 V C -1.674 174.440 176.094 0.033 0.000 1.188 145 V CA -1.437 60.881 62.300 0.030 0.000 1.058 145 V CB 2.307 34.147 31.823 0.028 0.000 1.110 145 V HN 0.162 nan 8.190 nan 0.000 0.453 146 P HA 0.160 nan 4.420 nan 0.000 0.342 146 P C -0.328 176.995 177.300 0.037 0.000 1.369 146 P CA 0.110 63.230 63.100 0.033 0.000 0.800 146 P CB 0.169 31.885 31.700 0.026 0.000 1.884 147 V N 0.378 120.314 119.914 0.037 0.000 2.763 147 V HA -0.028 4.048 4.120 -0.073 0.000 0.306 147 V C 1.123 177.236 176.094 0.031 0.000 1.059 147 V CA 0.714 63.037 62.300 0.038 0.000 1.138 147 V CB -0.804 31.041 31.823 0.036 0.000 0.940 147 V HN 0.375 nan 8.190 nan 0.000 0.489 148 E N 4.420 124.639 120.200 0.031 0.000 2.698 148 E HA 0.092 4.398 4.350 -0.073 0.000 0.242 148 E C 0.842 177.453 176.600 0.018 0.000 1.243 148 E CA -0.468 55.947 56.400 0.025 0.000 1.483 148 E CB 0.358 30.075 29.700 0.029 0.000 1.495 148 E HN 0.734 nan 8.360 nan 0.000 0.440 149 K N 0.980 121.389 120.400 0.015 0.000 2.298 149 K HA -0.355 3.921 4.320 -0.073 0.000 0.206 149 K C 1.307 177.910 176.600 0.005 0.000 0.807 149 K CA 1.844 58.136 56.287 0.009 0.000 1.023 149 K CB -0.506 31.997 32.500 0.006 0.000 1.086 149 K HN 0.283 nan 8.250 nan 0.000 0.566 150 R N 2.185 122.689 120.500 0.005 0.000 2.690 150 R HA 0.136 4.432 4.340 -0.073 0.000 0.419 150 R C 0.003 176.310 176.300 0.012 0.000 1.090 150 R CA -0.187 55.916 56.100 0.005 0.000 1.064 150 R CB 0.519 30.820 30.300 0.001 0.000 1.391 150 R HN 0.494 nan 8.270 nan 0.000 0.586 151 Q N 0.379 120.188 119.800 0.014 0.000 2.293 151 Q HA 0.520 4.816 4.340 -0.073 0.000 0.216 151 Q C -0.229 175.785 176.000 0.024 0.000 1.003 151 Q CA -0.936 54.880 55.803 0.021 0.000 0.995 151 Q CB 1.413 30.165 28.738 0.023 0.000 1.172 151 Q HN 0.161 nan 8.270 nan 0.000 0.518 152 L N -0.914 120.329 121.223 0.034 0.000 2.283 152 L HA 0.785 5.081 4.340 -0.073 0.000 0.259 152 L C -0.655 176.247 176.870 0.055 0.000 1.027 152 L CA -1.188 53.677 54.840 0.042 0.000 0.828 152 L CB 1.048 43.144 42.059 0.063 0.000 1.380 152 L HN 0.592 nan 8.230 nan 0.000 0.425 153 L N -2.282 118.982 121.223 0.068 0.000 2.389 153 L HA 0.894 5.190 4.340 -0.073 0.000 0.249 153 L C -0.649 176.321 176.870 0.168 0.000 1.083 153 L CA -0.645 54.254 54.840 0.099 0.000 0.876 153 L CB 2.002 44.116 42.059 0.091 0.000 1.489 153 L HN 0.536 nan 8.230 nan 0.000 0.412 154 T N -1.699 112.977 114.554 0.204 0.000 2.924 154 T HA 0.218 4.524 4.350 -0.073 0.000 0.291 154 T C -0.006 174.854 174.700 0.266 0.000 1.045 154 T CA -0.281 62.006 62.100 0.312 0.000 1.015 154 T CB 1.863 70.894 68.868 0.272 0.000 1.103 154 T HN 0.731 nan 8.240 nan 0.000 0.496 155 D N 0.806 121.359 120.400 0.256 0.000 2.191 155 D HA -0.173 4.423 4.640 -0.073 0.000 0.195 155 D C 1.824 178.219 176.300 0.160 0.000 1.003 155 D CA 1.417 55.525 54.000 0.180 0.000 0.867 155 D CB 0.271 41.137 40.800 0.110 0.000 0.926 155 D HN 0.433 nan 8.370 nan 0.000 0.450 156 E N 0.459 120.754 120.200 0.158 0.000 2.072 156 E HA -0.123 4.183 4.350 -0.073 0.000 0.190 156 E C 2.020 178.684 176.600 0.106 0.000 0.982 156 E CA 0.839 57.305 56.400 0.110 0.000 0.803 156 E CB -0.300 29.462 29.700 0.104 0.000 0.755 156 E HN 0.538 nan 8.360 nan 0.000 0.453 157 E N -0.039 120.245 120.200 0.139 0.000 2.076 157 E HA -0.134 4.172 4.350 -0.073 0.000 0.190 157 E C 2.043 178.748 176.600 0.175 0.000 0.979 157 E CA 0.509 56.991 56.400 0.136 0.000 0.807 157 E CB -0.316 29.465 29.700 0.135 0.000 0.761 157 E HN 0.169 nan 8.360 nan 0.000 0.454 158 Y N 2.444 122.780 120.300 0.059 0.000 2.165 158 Y HA -0.211 4.295 4.550 -0.073 0.000 0.286 158 Y C 2.218 178.149 175.900 0.051 0.000 1.155 158 Y CA 1.733 59.861 58.100 0.048 0.000 1.164 158 Y CB -0.173 38.305 38.460 0.029 0.000 0.978 158 Y HN -0.187 nan 8.280 nan 0.000 0.513 159 R N 0.419 120.871 120.500 -0.081 0.000 2.236 159 R HA -0.073 4.223 4.340 -0.073 0.000 0.208 159 R C 1.956 178.240 176.300 -0.027 0.000 1.036 159 R CA 1.162 57.169 56.100 -0.155 0.000 1.001 159 R CB -0.224 30.025 30.300 -0.085 0.000 0.896 159 R HN 0.490 nan 8.270 nan 0.000 0.464 160 E N -0.239 119.970 120.200 0.016 0.000 2.479 160 E HA -0.060 4.246 4.350 -0.073 0.000 0.193 160 E C 1.012 177.630 176.600 0.030 0.000 1.049 160 E CA 0.004 56.417 56.400 0.021 0.000 0.870 160 E CB 0.374 30.095 29.700 0.034 0.000 0.944 160 E HN 0.252 nan 8.360 nan 0.000 0.492 161 L N 0.337 121.582 121.223 0.037 0.000 2.546 161 L HA 0.150 4.446 4.340 -0.073 0.000 0.182 161 L C 2.241 179.134 176.870 0.038 0.000 1.167 161 L CA 1.004 55.880 54.840 0.060 0.000 0.845 161 L CB -0.539 41.594 42.059 0.123 0.000 1.134 161 L HN -0.045 nan 8.230 nan 0.000 0.500 162 R N -0.366 120.136 120.500 0.003 0.000 2.113 162 R HA -0.286 4.010 4.340 -0.073 0.000 0.231 162 R C 1.282 177.606 176.300 0.040 0.000 1.129 162 R CA 2.069 58.171 56.100 0.004 0.000 0.915 162 R CB -1.788 28.442 30.300 -0.116 0.000 0.837 162 R HN 0.348 nan 8.270 nan 0.000 0.430 163 Y N 3.190 123.424 120.300 -0.109 0.000 3.267 163 Y HA 0.176 4.682 4.550 -0.073 0.000 0.381 163 Y C 0.878 176.750 175.900 -0.045 0.000 1.023 163 Y CA 0.347 58.402 58.100 -0.076 0.000 2.048 163 Y CB -0.796 37.603 38.460 -0.101 0.000 2.239 163 Y HN 0.648 nan 8.280 nan 0.000 0.410 164 G N 1.760 110.463 108.800 -0.162 0.000 2.566 164 G HA2 -0.347 3.569 3.960 -0.073 0.000 0.280 164 G HA3 -0.347 3.569 3.960 -0.073 0.000 0.280 164 G C 0.842 175.669 174.900 -0.121 0.000 1.225 164 G CA 0.490 45.483 45.100 -0.179 0.000 0.966 164 G HN 0.385 nan 8.290 nan 0.000 0.560 165 K N -0.525 119.799 120.400 -0.127 0.000 2.758 165 K HA 0.299 4.575 4.320 -0.073 0.000 0.247 165 K C 1.071 177.594 176.600 -0.129 0.000 1.155 165 K CA 0.625 56.872 56.287 -0.065 0.000 1.011 165 K CB -0.482 32.030 32.500 0.020 0.000 1.633 165 K HN 0.537 nan 8.250 nan 0.000 0.438 166 Q N 1.365 121.076 119.800 -0.149 0.000 2.256 166 Q HA 0.172 4.468 4.340 -0.073 0.000 0.257 166 Q C -1.465 174.442 176.000 -0.156 0.000 0.936 166 Q CA 0.047 55.682 55.803 -0.280 0.000 0.903 166 Q CB 1.502 29.907 28.738 -0.555 0.000 1.263 166 Q HN 0.175 nan 8.270 nan 0.000 0.440 167 E N 2.615 122.749 120.200 -0.109 0.000 2.518 167 E HA 0.324 4.630 4.350 -0.073 0.000 0.240 167 E C -1.142 175.473 176.600 0.024 0.000 0.996 167 E CA -0.305 56.100 56.400 0.009 0.000 0.768 167 E CB 0.768 30.560 29.700 0.153 0.000 1.329 167 E HN 0.723 nan 8.360 nan 0.000 0.408 168 T N 2.267 116.854 114.554 0.055 0.000 2.902 168 T HA 0.197 4.503 4.350 -0.073 0.000 0.280 168 T C -0.390 174.447 174.700 0.228 0.000 0.992 168 T CA -0.314 61.860 62.100 0.123 0.000 1.015 168 T CB 0.834 69.804 68.868 0.170 0.000 1.044 168 T HN 0.484 nan 8.240 nan 0.000 0.520 169 Y N 1.167 121.505 120.300 0.062 0.000 2.555 169 Y HA 0.309 4.815 4.550 -0.073 0.000 0.317 169 Y C -2.560 173.368 175.900 0.048 0.000 0.928 169 Y CA -2.403 55.726 58.100 0.047 0.000 1.116 169 Y CB 0.605 39.074 38.460 0.014 0.000 1.169 169 Y HN 0.428 nan 8.280 nan 0.000 0.627 170 P HA 0.049 nan 4.420 nan 0.000 0.268 170 P C -0.946 176.250 177.300 -0.173 0.000 1.282 170 P CA 0.048 63.085 63.100 -0.104 0.000 0.880 170 P CB 0.366 32.045 31.700 -0.035 0.000 0.971 171 L N 5.051 126.029 121.223 -0.409 0.000 2.272 171 L HA 0.679 4.975 4.340 -0.073 0.000 0.289 171 L C -2.576 174.187 176.870 -0.178 0.000 1.032 171 L CA -2.341 52.303 54.840 -0.328 0.000 0.810 171 L CB 0.270 41.983 42.059 -0.577 0.000 1.205 171 L HN 0.108 nan 8.230 nan 0.000 0.422 172 P HA 0.304 nan 4.420 nan 0.000 0.270 172 P C -2.542 174.756 177.300 -0.002 0.000 1.227 172 P CA -0.405 62.678 63.100 -0.028 0.000 0.788 172 P CB -0.174 31.535 31.700 0.014 0.000 0.926 173 P HA 0.352 nan 4.420 nan 0.000 0.289 173 P C 0.102 177.419 177.300 0.028 0.000 1.300 173 P CA -0.257 62.849 63.100 0.010 0.000 0.828 173 P CB 0.526 32.224 31.700 -0.003 0.000 1.235 174 G N -1.090 107.728 108.800 0.030 0.000 2.625 174 G HA2 -0.210 3.705 3.960 -0.073 0.000 0.311 174 G HA3 -0.210 3.705 3.960 -0.073 0.000 0.311 174 G C 0.520 175.455 174.900 0.057 0.000 1.324 174 G CA 0.258 45.382 45.100 0.040 0.000 0.918 174 G HN 0.396 nan 8.290 nan 0.000 0.556 175 V N -0.745 119.208 119.914 0.064 0.000 3.371 175 V HA 0.177 4.253 4.120 -0.073 0.000 0.246 175 V C 1.306 177.441 176.094 0.068 0.000 1.303 175 V CA 1.595 63.944 62.300 0.081 0.000 1.156 175 V CB 0.572 32.459 31.823 0.107 0.000 0.929 175 V HN 0.674 nan 8.190 nan 0.000 0.459 176 D N 0.448 120.879 120.400 0.052 0.000 2.402 176 D HA 0.405 5.001 4.640 -0.073 0.000 0.216 176 D C 1.143 177.464 176.300 0.035 0.000 1.128 176 D CA 0.753 54.778 54.000 0.043 0.000 0.833 176 D CB 1.179 42.000 40.800 0.035 0.000 0.971 176 D HN 0.415 nan 8.370 nan 0.000 0.503 177 A N 0.889 123.730 122.820 0.035 0.000 3.951 177 A HA 0.136 4.412 4.320 -0.073 0.000 0.167 177 A C 1.915 179.516 177.584 0.028 0.000 1.664 177 A CA -0.105 51.947 52.037 0.026 0.000 1.093 177 A CB -0.826 18.186 19.000 0.020 0.000 1.149 177 A HN 0.097 nan 8.150 nan 0.000 0.424 178 L N 0.525 121.763 121.223 0.025 0.000 2.302 178 L HA -0.231 4.065 4.340 -0.073 0.000 0.218 178 L C 2.111 179.008 176.870 0.046 0.000 1.100 178 L CA 1.415 56.273 54.840 0.029 0.000 0.774 178 L CB -1.052 41.019 42.059 0.021 0.000 0.896 178 L HN 0.532 nan 8.230 nan 0.000 0.439 179 V N -2.951 116.993 119.914 0.050 0.000 3.467 179 V HA -0.182 3.894 4.120 -0.073 0.000 0.275 179 V C 1.325 177.448 176.094 0.047 0.000 1.230 179 V CA 1.371 63.705 62.300 0.057 0.000 1.196 179 V CB -1.165 30.694 31.823 0.061 0.000 0.884 179 V HN 0.518 nan 8.190 nan 0.000 0.548 180 K N -1.059 119.366 120.400 0.042 0.000 2.582 180 K HA 0.189 4.465 4.320 -0.073 0.000 0.204 180 K C 0.774 177.395 176.600 0.035 0.000 1.221 180 K CA 0.127 56.434 56.287 0.035 0.000 1.048 180 K CB 0.546 33.062 32.500 0.027 0.000 1.011 180 K HN 0.237 nan 8.250 nan 0.000 0.597 181 D N -0.150 120.276 120.400 0.044 0.000 2.380 181 D HA 0.072 4.668 4.640 -0.073 0.000 0.212 181 D C 1.361 177.703 176.300 0.070 0.000 1.021 181 D CA 0.848 54.876 54.000 0.047 0.000 0.884 181 D CB 0.995 41.819 40.800 0.039 0.000 1.001 181 D HN 0.291 nan 8.370 nan 0.000 0.506 182 G N 0.054 108.905 108.800 0.086 0.000 2.834 182 G HA2 -0.031 3.885 3.960 -0.073 0.000 0.198 182 G HA3 -0.031 3.885 3.960 -0.073 0.000 0.198 182 G C 1.364 176.301 174.900 0.062 0.000 1.070 182 G CA -0.052 45.110 45.100 0.103 0.000 0.771 182 G HN 0.112 nan 8.290 nan 0.000 0.601 183 E N 0.599 120.832 120.200 0.056 0.000 2.197 183 E HA -0.275 4.031 4.350 -0.073 0.000 0.205 183 E C 2.184 178.798 176.600 0.024 0.000 1.029 183 E CA 1.724 58.146 56.400 0.037 0.000 0.828 183 E CB 0.015 29.737 29.700 0.037 0.000 0.737 183 E HN 0.505 nan 8.360 nan 0.000 0.464 184 E N -0.746 119.469 120.200 0.026 0.000 2.216 184 E HA -0.071 4.235 4.350 -0.073 0.000 0.192 184 E C 1.190 177.799 176.600 0.015 0.000 0.988 184 E CA 0.591 57.002 56.400 0.018 0.000 0.834 184 E CB 0.512 30.223 29.700 0.019 0.000 0.772 184 E HN 0.052 nan 8.360 nan 0.000 0.479 185 V N 0.333 120.260 119.914 0.022 0.000 3.177 185 V HA 0.133 4.209 4.120 -0.073 0.000 0.342 185 V C 0.822 176.915 176.094 -0.001 0.000 1.379 185 V CA -0.016 62.294 62.300 0.017 0.000 1.191 185 V CB 0.394 32.237 31.823 0.034 0.000 1.167 185 V HN 0.082 nan 8.190 nan 0.000 0.471 186 V N -0.633 119.277 119.914 -0.006 0.000 3.149 186 V HA 0.306 4.382 4.120 -0.073 0.000 0.217 186 V C 0.814 176.890 176.094 -0.030 0.000 1.152 186 V CA 0.081 62.363 62.300 -0.030 0.000 1.286 186 V CB 0.364 32.174 31.823 -0.021 0.000 1.179 186 V HN 0.336 nan 8.190 nan 0.000 0.509 187 K N 1.930 122.319 120.400 -0.019 0.000 2.196 187 K HA 0.001 4.277 4.320 -0.073 0.000 0.254 187 K C 0.991 177.583 176.600 -0.014 0.000 1.303 187 K CA 1.082 57.359 56.287 -0.017 0.000 1.306 187 K CB -1.024 31.469 32.500 -0.012 0.000 0.803 187 K HN 1.095 nan 8.250 nan 0.000 0.469 188 G N 1.914 110.704 108.800 -0.017 0.000 2.184 188 G HA2 -0.273 3.643 3.960 -0.073 0.000 0.264 188 G HA3 -0.273 3.643 3.960 -0.073 0.000 0.264 188 G C 0.132 175.022 174.900 -0.017 0.000 0.975 188 G CA -0.081 45.012 45.100 -0.012 0.000 0.642 188 G HN 0.516 nan 8.290 nan 0.000 0.536 189 Q N 1.573 121.360 119.800 -0.022 0.000 2.406 189 Q HA 0.397 4.693 4.340 -0.073 0.000 0.242 189 Q C 0.361 176.343 176.000 -0.030 0.000 1.036 189 Q CA -0.072 55.719 55.803 -0.021 0.000 0.904 189 Q CB 0.390 29.120 28.738 -0.014 0.000 1.244 189 Q HN 0.655 nan 8.270 nan 0.000 0.478 190 E N 2.059 122.242 120.200 -0.028 0.000 2.481 190 E HA 0.040 4.346 4.350 -0.073 0.000 0.263 190 E C -0.489 176.094 176.600 -0.028 0.000 0.992 190 E CA 0.570 56.951 56.400 -0.032 0.000 0.938 190 E CB 0.478 30.162 29.700 -0.027 0.000 0.933 190 E HN 0.410 nan 8.360 nan 0.000 0.453 191 L N 2.107 123.310 121.223 -0.034 0.000 2.404 191 L HA 0.490 4.786 4.340 -0.073 0.000 0.272 191 L C -0.036 176.834 176.870 0.000 0.000 0.980 191 L CA -1.046 53.785 54.840 -0.015 0.000 0.836 191 L CB 1.629 43.667 42.059 -0.035 0.000 1.238 191 L HN 0.665 nan 8.230 nan 0.000 0.408 192 A N 5.316 128.143 122.820 0.011 0.000 2.455 192 A HA 0.432 4.708 4.320 -0.073 0.000 0.244 192 A C -2.404 175.194 177.584 0.023 0.000 1.099 192 A CA -0.664 51.377 52.037 0.007 0.000 0.786 192 A CB -0.490 18.512 19.000 0.003 0.000 1.051 192 A HN 0.435 nan 8.150 nan 0.000 0.508 193 P HA 0.360 nan 4.420 nan 0.000 0.276 193 P C 0.743 178.044 177.300 0.003 0.000 1.230 193 P CA 1.518 64.611 63.100 -0.013 0.000 0.776 193 P CB 0.905 32.550 31.700 -0.091 0.000 0.888 194 G N 1.523 110.344 108.800 0.036 0.000 2.148 194 G HA2 -0.231 3.685 3.960 -0.073 0.000 0.254 194 G HA3 -0.231 3.685 3.960 -0.073 0.000 0.254 194 G C 0.242 175.168 174.900 0.043 0.000 0.981 194 G CA -0.209 44.908 45.100 0.028 0.000 0.670 194 G HN 0.506 nan 8.290 nan 0.000 0.528 195 V N 0.422 120.387 119.914 0.085 0.000 2.788 195 V HA 0.243 4.319 4.120 -0.073 0.000 0.307 195 V C 1.390 177.526 176.094 0.069 0.000 1.069 195 V CA 0.179 62.532 62.300 0.088 0.000 1.173 195 V CB 1.458 33.362 31.823 0.135 0.000 0.925 195 V HN 0.321 nan 8.190 nan 0.000 0.492 196 V N 4.038 123.973 119.914 0.036 0.000 2.607 196 V HA 0.321 4.397 4.120 -0.073 0.000 0.289 196 V C 0.480 176.574 176.094 -0.000 0.000 1.053 196 V CA -0.008 62.290 62.300 -0.002 0.000 0.996 196 V CB 1.631 33.451 31.823 -0.005 0.000 0.995 196 V HN 0.889 nan 8.190 nan 0.000 0.476 197 S N 3.325 118.991 115.700 -0.056 0.000 2.406 197 S HA 0.348 4.774 4.470 -0.073 0.000 0.224 197 S C 1.147 175.719 174.600 -0.046 0.000 1.426 197 S CA -0.777 57.394 58.200 -0.048 0.000 1.179 197 S CB 0.105 63.221 63.200 -0.140 0.000 1.042 197 S HN 0.728 nan 8.310 nan 0.000 0.479 198 R N 2.313 122.802 120.500 -0.018 0.000 2.103 198 R HA -0.119 4.177 4.340 -0.073 0.000 0.242 198 R C 1.888 178.179 176.300 -0.016 0.000 1.142 198 R CA 1.640 57.731 56.100 -0.016 0.000 0.960 198 R CB -0.604 29.694 30.300 -0.004 0.000 0.858 198 R HN 0.524 nan 8.270 nan 0.000 0.439 199 L N 0.728 121.945 121.223 -0.009 0.000 1.925 199 L HA -0.213 4.083 4.340 -0.073 0.000 0.232 199 L C -0.052 176.811 176.870 -0.012 0.000 1.089 199 L CA 1.523 56.359 54.840 -0.006 0.000 0.806 199 L CB -0.158 41.903 42.059 0.003 0.000 0.899 199 L HN 0.192 nan 8.230 nan 0.000 0.435 200 D N -0.480 119.910 120.400 -0.016 0.000 2.349 200 D HA 0.464 5.060 4.640 -0.073 0.000 0.232 200 D C -0.334 175.946 176.300 -0.034 0.000 1.071 200 D CA 0.697 54.686 54.000 -0.019 0.000 0.832 200 D CB 1.187 41.980 40.800 -0.011 0.000 1.086 200 D HN 0.571 nan 8.370 nan 0.000 0.504 201 G N 1.376 110.157 108.800 -0.033 0.000 3.284 201 G HA2 -0.200 3.716 3.960 -0.073 0.000 0.665 201 G HA3 -0.200 3.716 3.960 -0.073 0.000 0.665 201 G C 0.192 175.057 174.900 -0.058 0.000 0.894 201 G CA -0.822 44.252 45.100 -0.043 0.000 0.838 201 G HN 0.504 nan 8.290 nan 0.000 0.501 202 V N 3.175 123.056 119.914 -0.055 0.000 2.248 202 V HA 0.264 4.340 4.120 -0.073 0.000 0.230 202 V C 1.733 177.762 176.094 -0.108 0.000 1.383 202 V CA 0.749 63.009 62.300 -0.067 0.000 1.442 202 V CB -1.088 30.705 31.823 -0.049 0.000 1.472 202 V HN 1.852 nan 8.190 nan 0.000 0.490 203 A N 6.120 128.850 122.820 -0.150 0.000 2.561 203 A HA 0.333 4.609 4.320 -0.073 0.000 0.251 203 A C -0.002 177.384 177.584 -0.330 0.000 1.062 203 A CA 0.315 52.194 52.037 -0.263 0.000 0.761 203 A CB -0.221 18.584 19.000 -0.325 0.000 0.986 203 A HN 0.746 nan 8.150 nan 0.000 0.510 204 L N 4.061 125.106 121.223 -0.295 0.000 2.353 204 L HA 0.272 4.568 4.340 -0.073 0.000 0.270 204 L C -1.251 175.538 176.870 -0.135 0.000 1.003 204 L CA -0.573 54.148 54.840 -0.197 0.000 0.862 204 L CB 0.953 42.966 42.059 -0.075 0.000 1.221 204 L HN 0.677 nan 8.230 nan 0.000 0.430 205 Y N 2.938 123.266 120.300 0.047 0.000 2.585 205 Y HA 0.178 4.684 4.550 -0.073 0.000 0.354 205 Y C 1.296 177.253 175.900 0.095 0.000 1.024 205 Y CA -0.431 57.716 58.100 0.079 0.000 1.321 205 Y CB 0.202 38.700 38.460 0.063 0.000 1.151 205 Y HN 0.402 nan 8.280 nan 0.000 0.525 206 R N 2.592 123.268 120.500 0.292 0.000 2.363 206 R HA 0.164 4.460 4.340 -0.073 0.000 0.236 206 R C -1.250 175.067 176.300 0.029 0.000 0.966 206 R CA -0.033 56.170 56.100 0.171 0.000 1.100 206 R CB -0.384 30.014 30.300 0.163 0.000 1.125 206 R HN 0.416 nan 8.270 nan 0.000 0.514 207 F N -0.475 119.520 119.950 0.075 0.000 2.561 207 F HA 0.362 4.845 4.527 -0.073 0.000 0.313 207 F C -1.584 174.225 175.800 0.015 0.000 1.126 207 F CA -2.546 55.477 58.000 0.038 0.000 0.918 207 F CB 1.636 40.655 39.000 0.032 0.000 1.199 207 F HN -0.128 nan 8.300 nan 0.000 0.444 208 P HA -0.215 nan 4.420 nan 0.000 0.297 208 P C 1.025 178.334 177.300 0.014 0.000 1.939 208 P CA 0.481 63.601 63.100 0.034 0.000 1.725 208 P CB 0.317 32.033 31.700 0.028 0.000 0.377 209 R N -1.361 119.133 120.500 -0.011 0.000 3.318 209 R HA -0.245 4.051 4.340 -0.073 0.000 0.632 209 R C 0.795 177.069 176.300 -0.043 0.000 0.252 209 R CA 1.900 57.980 56.100 -0.033 0.000 1.372 209 R CB -1.625 28.646 30.300 -0.048 0.000 0.671 209 R HN 0.550 nan 8.270 nan 0.000 0.488 210 R N 0.113 120.580 120.500 -0.055 0.000 2.782 210 R HA 0.587 4.883 4.340 -0.073 0.000 0.258 210 R C 0.116 176.358 176.300 -0.098 0.000 1.055 210 R CA -0.640 55.420 56.100 -0.067 0.000 1.065 210 R CB 1.140 31.405 30.300 -0.058 0.000 1.172 210 R HN 0.222 nan 8.270 nan 0.000 0.510 211 V N 0.042 119.889 119.914 -0.110 0.000 3.229 211 V HA 0.652 4.728 4.120 -0.073 0.000 0.310 211 V C -0.139 175.894 176.094 -0.102 0.000 1.206 211 V CA -1.092 61.111 62.300 -0.160 0.000 1.051 211 V CB 1.867 33.566 31.823 -0.208 0.000 1.183 211 V HN 0.724 nan 8.190 nan 0.000 0.466 212 R N 0.188 120.629 120.500 -0.098 0.000 3.325 212 R HA 0.408 4.704 4.340 -0.073 0.000 0.296 212 R C -2.110 174.177 176.300 -0.021 0.000 1.157 212 R CA -0.190 55.882 56.100 -0.046 0.000 1.156 212 R CB 1.595 31.877 30.300 -0.029 0.000 1.293 212 R HN 0.659 nan 8.270 nan 0.000 0.405 213 V N 3.598 123.508 119.914 -0.006 0.000 2.904 213 V HA 0.402 4.478 4.120 -0.073 0.000 0.305 213 V C 0.211 176.325 176.094 0.033 0.000 1.067 213 V CA 0.346 62.664 62.300 0.031 0.000 1.044 213 V CB 1.750 33.594 31.823 0.036 0.000 1.050 213 V HN 0.915 nan 8.190 nan 0.000 0.475 214 E N 2.440 122.685 120.200 0.075 0.000 3.700 214 E HA 0.272 4.578 4.350 -0.073 0.000 0.357 214 E C -1.048 175.582 176.600 0.051 0.000 0.577 214 E CA -0.467 55.978 56.400 0.075 0.000 1.888 214 E CB 0.172 29.994 29.700 0.204 0.000 2.230 214 E HN 0.659 nan 8.360 nan 0.000 0.479 215 Y N 1.714 122.070 120.300 0.095 0.000 2.569 215 Y HA 0.065 4.571 4.550 -0.073 0.000 0.332 215 Y C 0.246 176.208 175.900 0.103 0.000 1.120 215 Y CA -0.327 57.835 58.100 0.104 0.000 1.416 215 Y CB 0.165 38.706 38.460 0.134 0.000 1.210 215 Y HN -0.011 nan 8.280 nan 0.000 0.528 216 V N 3.898 123.911 119.914 0.165 0.000 3.295 216 V HA 0.334 4.410 4.120 -0.073 0.000 0.308 216 V C 0.343 176.525 176.094 0.147 0.000 1.068 216 V CA -0.692 61.685 62.300 0.129 0.000 1.062 216 V CB 1.652 33.516 31.823 0.069 0.000 1.162 216 V HN 0.626 nan 8.190 nan 0.000 0.456 217 K N 0.235 120.704 120.400 0.116 0.000 3.332 217 K HA 0.505 4.781 4.320 -0.073 0.000 0.254 217 K C -0.411 176.240 176.600 0.084 0.000 1.304 217 K CA -0.214 56.141 56.287 0.113 0.000 1.215 217 K CB 0.120 32.688 32.500 0.114 0.000 2.064 217 K HN 0.538 nan 8.250 nan 0.000 0.423 218 K N 0.659 121.100 120.400 0.068 0.000 2.664 218 K HA 0.139 4.415 4.320 -0.073 0.000 0.298 218 K C -1.446 175.177 176.600 0.039 0.000 1.152 218 K CA 0.248 56.565 56.287 0.049 0.000 1.038 218 K CB 0.356 32.883 32.500 0.045 0.000 1.342 218 K HN 0.345 nan 8.250 nan 0.000 0.496 219 E N 2.393 122.613 120.200 0.033 0.000 2.640 219 E HA 0.356 4.662 4.350 -0.073 0.000 0.197 219 E C 0.574 177.185 176.600 0.018 0.000 0.925 219 E CA -0.469 55.947 56.400 0.025 0.000 1.604 219 E CB 0.586 30.303 29.700 0.028 0.000 1.769 219 E HN 0.375 nan 8.360 nan 0.000 0.965 220 R N -0.694 119.817 120.500 0.018 0.000 4.515 220 R HA 0.659 4.955 4.340 -0.073 0.000 0.248 220 R C -1.493 174.812 176.300 0.009 0.000 0.909 220 R CA 0.006 56.112 56.100 0.010 0.000 0.654 220 R CB 0.115 30.419 30.300 0.007 0.000 2.007 220 R HN 0.302 nan 8.270 nan 0.000 0.372 221 A N 0.641 123.462 122.820 0.001 0.000 2.249 221 A HA 0.334 4.610 4.320 -0.073 0.000 0.238 221 A C -0.617 176.959 177.584 -0.014 0.000 1.638 221 A CA 0.102 52.136 52.037 -0.005 0.000 1.716 221 A CB 0.058 19.054 19.000 -0.008 0.000 0.959 221 A HN 0.702 nan 8.150 nan 0.000 0.901 222 G N 0.626 109.421 108.800 -0.010 0.000 2.370 222 G HA2 0.557 4.473 3.960 -0.073 0.000 0.272 222 G HA3 0.557 4.473 3.960 -0.073 0.000 0.272 222 G C 0.548 175.439 174.900 -0.016 0.000 1.208 222 G CA -0.477 44.615 45.100 -0.013 0.000 0.856 222 G HN 1.176 nan 8.290 nan 0.000 0.500 223 L N 1.610 122.820 121.223 -0.022 0.000 3.941 223 L HA -0.176 4.120 4.340 -0.073 0.000 0.455 223 L C 1.362 178.216 176.870 -0.026 0.000 1.179 223 L CA 1.083 55.908 54.840 -0.024 0.000 0.782 223 L CB -2.435 39.616 42.059 -0.014 0.000 1.679 223 L HN 0.923 nan 8.230 nan 0.000 0.871 224 R N -0.328 120.152 120.500 -0.034 0.000 2.730 224 R HA 0.616 4.912 4.340 -0.073 0.000 0.228 224 R C 0.345 176.615 176.300 -0.049 0.000 1.312 224 R CA -0.819 55.259 56.100 -0.036 0.000 1.093 224 R CB 0.579 30.861 30.300 -0.030 0.000 1.583 224 R HN 0.018 nan 8.270 nan 0.000 0.535 225 L N 0.099 121.289 121.223 -0.054 0.000 2.474 225 L HA 0.246 4.542 4.340 -0.073 0.000 0.259 225 L C -1.394 175.440 176.870 -0.060 0.000 1.232 225 L CA -1.836 52.969 54.840 -0.059 0.000 0.821 225 L CB -0.642 41.371 42.059 -0.076 0.000 1.108 225 L HN 0.523 nan 8.230 nan 0.000 0.495 226 P HA 0.036 nan 4.420 nan 0.000 0.253 226 P C 1.390 178.703 177.300 0.021 0.000 1.281 226 P CA 0.068 63.134 63.100 -0.056 0.000 0.792 226 P CB 0.382 32.061 31.700 -0.034 0.000 1.193 227 L N -0.015 121.226 121.223 0.030 0.000 1.988 227 L HA -0.059 4.237 4.340 -0.073 0.000 0.207 227 L C 1.707 178.657 176.870 0.134 0.000 1.071 227 L CA 1.865 56.759 54.840 0.091 0.000 0.744 227 L CB -1.989 40.095 42.059 0.043 0.000 0.893 227 L HN -0.016 nan 8.230 nan 0.000 0.433 228 A N -0.926 121.939 122.820 0.075 0.000 2.734 228 A HA 0.459 4.735 4.320 -0.073 0.000 0.279 228 A C 1.668 179.279 177.584 0.045 0.000 1.386 228 A CA 0.539 52.629 52.037 0.088 0.000 0.987 228 A CB -0.536 18.499 19.000 0.058 0.000 1.041 228 A HN 0.305 nan 8.150 nan 0.000 0.569 229 A N -1.545 121.282 122.820 0.012 0.000 2.218 229 A HA 0.182 4.458 4.320 -0.073 0.000 0.209 229 A C 1.395 178.902 177.584 -0.128 0.000 1.168 229 A CA 0.342 52.274 52.037 -0.175 0.000 0.804 229 A CB -0.399 18.336 19.000 -0.443 0.000 0.834 229 A HN 0.795 nan 8.150 nan 0.000 0.482 230 W N -0.818 120.590 121.300 0.181 0.000 2.792 230 W HA 0.054 4.670 4.660 -0.073 0.000 0.262 230 W C 2.078 178.647 176.519 0.084 0.000 1.212 230 W CA 0.646 58.084 57.345 0.156 0.000 1.433 230 W CB -0.005 29.522 29.460 0.113 0.000 1.004 230 W HN 0.117 nan 8.180 nan 0.000 0.608 231 V N 0.952 121.030 119.914 0.273 0.000 2.613 231 V HA -0.229 3.847 4.120 -0.073 0.000 0.259 231 V C 0.344 176.514 176.094 0.127 0.000 1.099 231 V CA 2.099 64.499 62.300 0.167 0.000 1.115 231 V CB -1.227 30.665 31.823 0.115 0.000 0.686 231 V HN 0.412 nan 8.190 nan 0.000 0.481 232 E N -1.393 118.876 120.200 0.115 0.000 2.768 232 E HA 0.332 4.638 4.350 -0.073 0.000 0.290 232 E C 0.392 177.034 176.600 0.069 0.000 1.100 232 E CA -0.836 55.609 56.400 0.076 0.000 0.768 232 E CB 1.166 30.886 29.700 0.034 0.000 1.501 232 E HN 0.034 nan 8.360 nan 0.000 0.384 233 K N 1.678 122.149 120.400 0.118 0.000 2.227 233 K HA -0.296 3.980 4.320 -0.073 0.000 0.208 233 K C 0.902 177.522 176.600 0.034 0.000 1.045 233 K CA 1.952 58.306 56.287 0.111 0.000 0.931 233 K CB -0.210 32.381 32.500 0.151 0.000 0.721 233 K HN 0.491 nan 8.250 nan 0.000 0.469 234 E N 0.146 120.358 120.200 0.019 0.000 2.301 234 E HA -0.231 4.075 4.350 -0.073 0.000 0.224 234 E C 1.279 177.857 176.600 -0.035 0.000 1.092 234 E CA 2.127 58.523 56.400 -0.008 0.000 0.913 234 E CB -0.276 29.412 29.700 -0.020 0.000 0.776 234 E HN 0.497 nan 8.360 nan 0.000 0.465 235 A N -1.727 121.051 122.820 -0.071 0.000 2.713 235 A HA 0.297 4.573 4.320 -0.073 0.000 0.296 235 A C 0.465 177.945 177.584 -0.173 0.000 1.255 235 A CA -0.366 51.597 52.037 -0.123 0.000 0.955 235 A CB -0.027 18.875 19.000 -0.164 0.000 1.149 235 A HN 0.408 nan 8.150 nan 0.000 0.538 236 Y N -2.099 118.052 120.300 -0.249 0.000 2.648 236 Y HA 0.229 4.735 4.550 -0.073 0.000 0.270 236 Y C 1.646 177.413 175.900 -0.222 0.000 1.043 236 Y CA 0.081 57.956 58.100 -0.375 0.000 1.238 236 Y CB 0.954 38.904 38.460 -0.850 0.000 1.385 236 Y HN 0.319 nan 8.280 nan 0.000 0.569 237 K N -0.611 119.820 120.400 0.052 0.000 2.703 237 K HA 0.241 4.517 4.320 -0.073 0.000 0.196 237 K C -2.043 174.578 176.600 0.034 0.000 1.457 237 K CA 0.320 56.638 56.287 0.051 0.000 1.115 237 K CB -0.111 32.430 32.500 0.068 0.000 1.661 237 K HN 0.103 nan 8.250 nan 0.000 0.552 238 P HA 0.447 nan 4.420 nan 0.000 0.311 238 P C -0.774 176.522 177.300 -0.007 0.000 1.351 238 P CA -0.377 62.728 63.100 0.010 0.000 0.841 238 P CB 0.685 32.391 31.700 0.010 0.000 2.109 239 G N -0.389 108.401 108.800 -0.016 0.000 4.809 239 G HA2 0.105 4.021 3.960 -0.073 0.000 0.225 239 G HA3 0.105 4.021 3.960 -0.073 0.000 0.225 239 G C -0.008 174.869 174.900 -0.038 0.000 1.929 239 G CA -0.219 44.862 45.100 -0.031 0.000 0.616 239 G HN 0.168 nan 8.290 nan 0.000 0.286 240 E N 0.340 120.512 120.200 -0.047 0.000 2.474 240 E HA 0.131 4.437 4.350 -0.073 0.000 0.195 240 E C 2.027 178.572 176.600 -0.093 0.000 1.039 240 E CA -0.443 55.921 56.400 -0.060 0.000 0.881 240 E CB 0.882 30.558 29.700 -0.042 0.000 0.970 240 E HN 0.655 nan 8.360 nan 0.000 0.486 241 I N 0.733 121.247 120.570 -0.094 0.000 2.454 241 I HA -0.234 3.892 4.170 -0.073 0.000 0.254 241 I C 1.928 177.961 176.117 -0.141 0.000 1.156 241 I CA 0.667 61.903 61.300 -0.107 0.000 1.433 241 I CB 0.188 38.127 38.000 -0.102 0.000 1.082 241 I HN 0.059 nan 8.210 nan 0.000 0.432 242 L N 0.915 122.048 121.223 -0.150 0.000 2.291 242 L HA 0.050 4.346 4.340 -0.073 0.000 0.214 242 L C 2.002 178.575 176.870 -0.495 0.000 1.120 242 L CA 1.833 56.547 54.840 -0.209 0.000 0.799 242 L CB -0.418 41.583 42.059 -0.096 0.000 0.925 242 L HN 0.260 nan 8.230 nan 0.000 0.446 243 A N -1.952 120.633 122.820 -0.391 0.000 2.469 243 A HA 0.108 4.384 4.320 -0.073 0.000 0.245 243 A C 1.959 179.382 177.584 -0.268 0.000 1.221 243 A CA 0.155 51.909 52.037 -0.472 0.000 0.946 243 A CB -0.378 18.481 19.000 -0.235 0.000 1.049 243 A HN 0.369 nan 8.150 nan 0.000 0.529 244 E N 1.217 121.296 120.200 -0.201 0.000 2.204 244 E HA -0.121 4.185 4.350 -0.073 0.000 0.195 244 E C 0.567 177.104 176.600 -0.105 0.000 0.990 244 E CA 0.525 56.852 56.400 -0.122 0.000 0.821 244 E CB -0.407 29.234 29.700 -0.098 0.000 0.750 244 E HN 0.564 nan 8.360 nan 0.000 0.477 245 L N 1.118 122.260 121.223 -0.135 0.000 2.543 245 L HA 0.042 4.338 4.340 -0.073 0.000 0.285 245 L C -1.176 175.663 176.870 -0.051 0.000 1.236 245 L CA -0.459 54.333 54.840 -0.081 0.000 0.871 245 L CB -1.518 40.497 42.059 -0.074 0.000 1.121 245 L HN -0.110 nan 8.230 nan 0.000 0.501 246 P HA -0.199 nan 4.420 nan 0.000 0.216 246 P C 0.807 178.114 177.300 0.012 0.000 1.153 246 P CA 1.790 64.887 63.100 -0.005 0.000 0.858 246 P CB 0.514 32.213 31.700 -0.001 0.000 0.789 247 E N -2.816 117.400 120.200 0.027 0.000 2.566 247 E HA 0.095 4.401 4.350 -0.073 0.000 0.193 247 E C -2.056 174.602 176.600 0.098 0.000 0.945 247 E CA -0.161 56.273 56.400 0.058 0.000 1.449 247 E CB -0.798 28.928 29.700 0.043 0.000 1.654 247 E HN 0.188 nan 8.360 nan 0.000 0.844 248 P HA 0.152 nan 4.420 nan 0.000 0.226 248 P C -0.769 176.693 177.300 0.269 0.000 1.783 248 P CA 0.062 63.246 63.100 0.139 0.000 0.980 248 P CB -0.367 31.390 31.700 0.094 0.000 1.967 249 Y N 0.047 120.376 120.300 0.049 0.000 2.728 249 Y HA 0.177 4.683 4.550 -0.073 0.000 0.256 249 Y C 1.238 177.168 175.900 0.050 0.000 1.112 249 Y CA -0.133 57.993 58.100 0.043 0.000 1.240 249 Y CB 0.651 39.128 38.460 0.027 0.000 1.337 249 Y HN -0.038 nan 8.280 nan 0.000 0.559 250 L N -1.550 119.746 121.223 0.121 0.000 2.614 250 L HA 0.180 4.476 4.340 -0.073 0.000 0.185 250 L C 0.785 177.701 176.870 0.076 0.000 1.098 250 L CA 0.561 55.439 54.840 0.064 0.000 0.852 250 L CB -1.036 41.078 42.059 0.092 0.000 1.213 250 L HN 0.028 nan 8.230 nan 0.000 0.491 365 D N 1.095 121.466 120.400 -0.048 0.000 2.481 365 D HA 0.752 5.348 4.640 -0.073 0.000 0.244 365 D C 0.080 176.356 176.300 -0.040 0.000 1.057 365 D CA -0.568 53.399 54.000 -0.054 0.000 0.848 365 D CB 2.264 43.032 40.800 -0.054 0.000 1.388 365 D HN 0.687 nan 8.370 nan 0.000 0.475 366 K N 0.262 120.636 120.400 -0.044 0.000 2.658 366 K HA 0.732 5.008 4.320 -0.073 0.000 0.293 366 K C -1.771 174.808 176.600 -0.034 0.000 1.026 366 K CA -0.927 55.340 56.287 -0.033 0.000 0.871 366 K CB 1.487 33.966 32.500 -0.034 0.000 1.524 366 K HN 0.341 nan 8.250 nan 0.000 0.400 367 I N 0.734 121.290 120.570 -0.024 0.000 3.099 367 I HA 0.215 4.341 4.170 -0.073 0.000 0.308 367 I C -0.421 175.688 176.117 -0.013 0.000 1.405 367 I CA -0.894 60.394 61.300 -0.020 0.000 0.953 367 I CB 2.429 40.423 38.000 -0.011 0.000 1.324 367 I HN 0.649 nan 8.210 nan 0.000 0.495 368 V N 2.865 122.773 119.914 -0.010 0.000 3.625 368 V HA 0.090 4.166 4.120 -0.073 0.000 0.302 368 V C 1.737 177.831 176.094 0.001 0.000 1.112 368 V CA 0.826 63.123 62.300 -0.005 0.000 1.173 368 V CB 0.346 32.168 31.823 -0.002 0.000 1.096 368 V HN 0.986 nan 8.190 nan 0.000 0.486 369 A N 0.956 123.778 122.820 0.003 0.000 1.892 369 A HA 0.253 4.529 4.320 -0.073 0.000 0.218 369 A C 1.150 178.740 177.584 0.010 0.000 1.188 369 A CA 2.026 54.067 52.037 0.006 0.000 0.631 369 A CB -0.420 18.583 19.000 0.005 0.000 0.822 369 A HN 1.982 nan 8.150 nan 0.000 0.447 370 A N -1.300 121.526 122.820 0.011 0.000 2.411 370 A HA 0.485 4.761 4.320 -0.073 0.000 0.303 370 A C -0.371 177.222 177.584 0.015 0.000 1.038 370 A CA 0.032 52.078 52.037 0.015 0.000 1.011 370 A CB -0.348 18.662 19.000 0.016 0.000 1.505 370 A HN 1.265 nan 8.150 nan 0.000 0.380 371 I N -0.735 119.845 120.570 0.017 0.000 3.813 371 I HA 0.474 4.600 4.170 -0.073 0.000 0.323 371 I C -0.323 175.809 176.117 0.025 0.000 1.536 371 I CA -0.161 61.150 61.300 0.018 0.000 1.083 371 I CB 0.478 38.488 38.000 0.016 0.000 1.265 371 I HN 0.427 nan 8.210 nan 0.000 0.507 372 D N -0.417 120.001 120.400 0.029 0.000 2.639 372 D HA 0.350 4.946 4.640 -0.073 0.000 0.271 372 D C -2.992 173.334 176.300 0.043 0.000 1.254 372 D CA -1.081 52.942 54.000 0.039 0.000 0.810 372 D CB 2.337 43.166 40.800 0.048 0.000 1.351 372 D HN -0.092 nan 8.370 nan 0.000 0.427 373 P HA 0.191 nan 4.420 nan 0.000 0.197 373 P C -0.026 177.335 177.300 0.101 0.000 1.188 373 P CA 0.914 64.052 63.100 0.062 0.000 0.873 373 P CB 1.173 32.901 31.700 0.047 0.000 0.712 374 E N -0.686 119.586 120.200 0.119 0.000 4.381 374 E HA 0.348 4.654 4.350 -0.073 0.000 0.212 374 E C -0.517 176.187 176.600 0.172 0.000 1.112 374 E CA -0.319 56.176 56.400 0.159 0.000 0.938 374 E CB -0.533 29.271 29.700 0.175 0.000 2.387 374 E HN 0.120 nan 8.360 nan 0.000 0.486 375 E N 1.245 121.576 120.200 0.218 0.000 2.171 375 E HA 0.459 4.765 4.350 -0.073 0.000 0.271 375 E C -0.967 175.735 176.600 0.168 0.000 0.916 375 E CA -0.483 56.061 56.400 0.240 0.000 0.774 375 E CB 0.793 30.779 29.700 0.477 0.000 1.128 375 E HN 0.405 nan 8.360 nan 0.000 0.403 376 E N 1.998 122.283 120.200 0.142 0.000 2.373 376 E HA 0.109 4.415 4.350 -0.073 0.000 0.272 376 E C -1.539 175.116 176.600 0.091 0.000 1.231 376 E CA -0.700 55.762 56.400 0.103 0.000 0.906 376 E CB 0.024 29.772 29.700 0.080 0.000 1.397 376 E HN 0.438 nan 8.360 nan 0.000 0.410 377 V N 2.098 122.044 119.914 0.054 0.000 2.333 377 V HA 0.374 4.450 4.120 -0.073 0.000 0.274 377 V C 0.494 176.599 176.094 0.017 0.000 1.028 377 V CA -0.763 61.549 62.300 0.021 0.000 0.851 377 V CB 0.289 32.101 31.823 -0.019 0.000 1.000 377 V HN 0.584 nan 8.190 nan 0.000 0.456 378 I N 5.208 125.800 120.570 0.036 0.000 3.595 378 I HA 0.423 4.549 4.170 -0.073 0.000 0.336 378 I C 1.151 177.277 176.117 0.014 0.000 1.402 378 I CA 0.434 61.757 61.300 0.038 0.000 1.223 378 I CB -0.609 37.435 38.000 0.074 0.000 1.455 378 I HN 0.575 nan 8.210 nan 0.000 0.456 379 A N 1.971 124.777 122.820 -0.024 0.000 2.014 379 A HA 0.088 4.364 4.320 -0.073 0.000 0.218 379 A C 0.687 178.264 177.584 -0.012 0.000 1.163 379 A CA 1.147 53.163 52.037 -0.037 0.000 0.652 379 A CB 0.012 18.973 19.000 -0.065 0.000 0.808 379 A HN 0.671 nan 8.150 nan 0.000 0.449 380 E N -3.964 116.233 120.200 -0.005 0.000 2.331 380 E HA 0.519 4.825 4.350 -0.073 0.000 0.263 380 E C -0.974 175.629 176.600 0.006 0.000 1.224 380 E CA -0.127 56.275 56.400 0.002 0.000 0.898 380 E CB 0.699 30.397 29.700 -0.004 0.000 1.591 380 E HN 0.184 nan 8.360 nan 0.000 0.463 381 A N 1.850 124.676 122.820 0.009 0.000 2.990 381 A HA 0.172 4.448 4.320 -0.073 0.000 0.282 381 A C 0.129 177.718 177.584 0.009 0.000 1.688 381 A CA 0.012 52.057 52.037 0.014 0.000 1.391 381 A CB -0.736 18.273 19.000 0.015 0.000 1.112 381 A HN 0.433 nan 8.150 nan 0.000 0.588 382 E N 1.624 121.827 120.200 0.005 0.000 2.499 382 E HA 0.318 4.624 4.350 -0.073 0.000 0.207 382 E C 0.414 177.018 176.600 0.005 0.000 1.034 382 E CA 0.292 56.692 56.400 -0.001 0.000 1.098 382 E CB 0.080 29.772 29.700 -0.014 0.000 1.148 382 E HN 0.537 nan 8.360 nan 0.000 0.447 383 G N 0.861 109.671 108.800 0.018 0.000 5.515 383 G HA2 0.148 4.064 3.960 -0.073 0.000 0.198 383 G HA3 0.148 4.064 3.960 -0.073 0.000 0.198 383 G C -0.076 174.848 174.900 0.040 0.000 0.858 383 G CA -0.490 44.627 45.100 0.027 0.000 0.634 383 G HN 0.091 nan 8.290 nan 0.000 0.290 384 V N 0.171 120.104 119.914 0.032 0.000 2.999 384 V HA 0.467 4.543 4.120 -0.073 0.000 0.307 384 V C 0.828 176.941 176.094 0.031 0.000 1.084 384 V CA 0.022 62.346 62.300 0.040 0.000 1.155 384 V CB 1.715 33.559 31.823 0.035 0.000 0.975 384 V HN 0.579 nan 8.190 nan 0.000 0.490 385 V N 3.358 123.298 119.914 0.043 0.000 4.390 385 V HA 0.206 4.282 4.120 -0.073 0.000 0.446 385 V C -0.398 175.706 176.094 0.016 0.000 1.402 385 V CA -0.510 61.786 62.300 -0.006 0.000 2.190 385 V CB 0.143 31.933 31.823 -0.054 0.000 0.650 385 V HN 1.143 nan 8.190 nan 0.000 0.509 386 H N 3.254 122.300 119.070 -0.041 0.000 3.026 386 H HA 0.658 5.170 4.556 -0.073 0.000 0.289 386 H C -0.511 174.767 175.328 -0.083 0.000 1.022 386 H CA 1.313 57.341 56.048 -0.035 0.000 1.477 386 H CB 0.818 30.566 29.762 -0.022 0.000 1.510 386 H HN 0.623 nan 8.280 nan 0.000 0.535 387 L N 3.206 124.236 121.223 -0.323 0.000 2.690 387 L HA 0.247 4.543 4.340 -0.073 0.000 0.252 387 L C -0.308 176.445 176.870 -0.195 0.000 0.939 387 L CA -0.984 53.577 54.840 -0.464 0.000 1.151 387 L CB 0.634 42.331 42.059 -0.604 0.000 1.606 387 L HN 0.819 nan 8.230 nan 0.000 0.370 388 H N -0.187 118.849 119.070 -0.057 0.000 2.417 388 H HA 0.524 5.036 4.556 -0.073 0.000 0.325 388 H C -0.926 174.449 175.328 0.079 0.000 1.549 388 H CA -0.641 55.413 56.048 0.010 0.000 1.476 388 H CB 0.055 29.823 29.762 0.011 0.000 1.732 388 H HN 0.328 nan 8.280 nan 0.000 0.695 389 E N -1.025 119.339 120.200 0.274 0.000 3.352 389 E HA 0.281 4.587 4.350 -0.073 0.000 0.254 389 E C -3.054 173.612 176.600 0.111 0.000 1.229 389 E CA -2.001 54.521 56.400 0.203 0.000 0.949 389 E CB 0.620 30.414 29.700 0.156 0.000 1.373 389 E HN 0.363 nan 8.360 nan 0.000 0.392 390 P HA 0.099 nan 4.420 nan 0.000 0.265 390 P C -0.604 176.778 177.300 0.136 0.000 1.222 390 P CA 0.289 63.425 63.100 0.060 0.000 0.767 390 P CB 0.743 32.524 31.700 0.134 0.000 0.801 391 A N 3.319 126.229 122.820 0.151 0.000 2.582 391 A HA 0.451 4.727 4.320 -0.073 0.000 0.336 391 A C 0.359 178.062 177.584 0.198 0.000 1.445 391 A CA -0.266 51.873 52.037 0.170 0.000 0.997 391 A CB -0.205 18.947 19.000 0.254 0.000 1.148 391 A HN 0.467 nan 8.150 nan 0.000 0.514 392 S N 2.727 118.500 115.700 0.123 0.000 2.457 392 S HA 0.631 5.057 4.470 -0.073 0.000 0.289 392 S C -0.104 174.482 174.600 -0.024 0.000 1.163 392 S CA -0.652 57.617 58.200 0.116 0.000 1.078 392 S CB 0.439 63.722 63.200 0.139 0.000 0.987 392 S HN 0.787 nan 8.310 nan 0.000 0.482 393 I N 1.781 122.315 120.570 -0.061 0.000 2.304 393 I HA 0.492 4.618 4.170 -0.073 0.000 0.291 393 I C -0.732 175.360 176.117 -0.042 0.000 1.018 393 I CA -0.778 60.439 61.300 -0.138 0.000 1.260 393 I CB 0.508 38.379 38.000 -0.216 0.000 1.390 393 I HN 0.521 nan 8.210 nan 0.000 0.475 394 L N 7.064 128.253 121.223 -0.057 0.000 2.276 394 L HA 0.368 4.664 4.340 -0.073 0.000 0.286 394 L C -0.111 176.716 176.870 -0.072 0.000 1.024 394 L CA -0.936 53.865 54.840 -0.064 0.000 0.826 394 L CB 1.859 43.877 42.059 -0.069 0.000 1.211 394 L HN 0.509 nan 8.230 nan 0.000 0.422 395 V N 5.986 125.865 119.914 -0.059 0.000 2.356 395 V HA 0.075 4.151 4.120 -0.073 0.000 0.244 395 V C 0.170 176.212 176.094 -0.087 0.000 1.120 395 V CA 0.307 62.586 62.300 -0.035 0.000 1.181 395 V CB -0.196 31.647 31.823 0.033 0.000 1.244 395 V HN 0.447 nan 8.190 nan 0.000 0.487 396 V N 4.365 124.224 119.914 -0.092 0.000 3.178 396 V HA 0.409 4.485 4.120 -0.073 0.000 0.302 396 V C -0.336 175.694 176.094 -0.107 0.000 1.262 396 V CA -1.517 60.715 62.300 -0.114 0.000 1.030 396 V CB 2.781 34.531 31.823 -0.123 0.000 1.074 396 V HN 0.794 nan 8.190 nan 0.000 0.438 397 K N 2.042 122.359 120.400 -0.138 0.000 2.234 397 K HA 0.820 5.096 4.320 -0.073 0.000 0.282 397 K C -0.365 176.188 176.600 -0.079 0.000 1.039 397 K CA -0.234 55.977 56.287 -0.127 0.000 0.928 397 K CB 1.767 34.146 32.500 -0.202 0.000 1.039 397 K HN 0.792 nan 8.250 nan 0.000 0.470 398 A N 5.171 127.961 122.820 -0.050 0.000 2.341 398 A HA 0.294 4.570 4.320 -0.073 0.000 0.326 398 A C -0.480 177.108 177.584 0.006 0.000 1.402 398 A CA -0.954 51.071 52.037 -0.020 0.000 0.957 398 A CB 0.231 19.220 19.000 -0.018 0.000 1.151 398 A HN 0.827 nan 8.150 nan 0.000 0.533 399 R N 1.475 121.989 120.500 0.025 0.000 2.573 399 R HA 0.582 4.878 4.340 -0.073 0.000 0.272 399 R C 0.039 176.388 176.300 0.082 0.000 1.009 399 R CA -0.613 55.523 56.100 0.060 0.000 1.059 399 R CB 1.454 31.798 30.300 0.073 0.000 1.112 399 R HN 0.417 nan 8.270 nan 0.000 0.517 400 V N 0.213 120.213 119.914 0.143 0.000 3.229 400 V HA 0.054 4.130 4.120 -0.073 0.000 0.239 400 V C -0.226 175.987 176.094 0.198 0.000 1.390 400 V CA 0.264 62.669 62.300 0.175 0.000 1.231 400 V CB 0.205 32.185 31.823 0.263 0.000 1.025 400 V HN 0.645 nan 8.190 nan 0.000 0.461 401 Y N 1.006 121.356 120.300 0.083 0.000 2.722 401 Y HA 0.499 5.005 4.550 -0.073 0.000 0.314 401 Y C -2.310 173.744 175.900 0.257 0.000 1.008 401 Y CA -3.254 54.934 58.100 0.147 0.000 1.294 401 Y CB -0.604 37.972 38.460 0.193 0.000 1.231 401 Y HN 0.307 nan 8.280 nan 0.000 0.558 402 P HA -0.008 nan 4.420 nan 0.000 0.271 402 P C -0.269 177.251 177.300 0.367 0.000 1.233 402 P CA 0.576 63.845 63.100 0.281 0.000 0.795 402 P CB 0.871 32.658 31.700 0.145 0.000 0.936 403 F N -1.065 118.916 119.950 0.051 0.000 3.043 403 F HA 0.354 4.837 4.527 -0.073 0.000 0.357 403 F C 0.152 175.969 175.800 0.027 0.000 1.302 403 F CA -0.453 57.571 58.000 0.040 0.000 1.069 403 F CB 0.359 39.386 39.000 0.044 0.000 1.539 403 F HN 0.272 nan 8.300 nan 0.000 0.505 404 E N 0.579 120.932 120.200 0.255 0.000 2.145 404 E HA 0.385 4.691 4.350 -0.073 0.000 0.270 404 E C -1.903 174.766 176.600 0.115 0.000 0.906 404 E CA -0.667 55.809 56.400 0.127 0.000 0.761 404 E CB 1.372 31.115 29.700 0.072 0.000 1.116 404 E HN 0.298 nan 8.360 nan 0.000 0.408 405 D N 4.562 125.009 120.400 0.078 0.000 2.412 405 D HA 0.010 4.606 4.640 -0.073 0.000 0.276 405 D C -0.665 175.657 176.300 0.035 0.000 1.196 405 D CA -0.317 53.715 54.000 0.054 0.000 0.905 405 D CB 0.854 41.682 40.800 0.048 0.000 1.081 405 D HN 0.609 nan 8.370 nan 0.000 0.502 406 D N 0.772 121.191 120.400 0.032 0.000 2.977 406 D HA -0.033 4.563 4.640 -0.073 0.000 0.241 406 D C 1.040 177.349 176.300 0.015 0.000 1.206 406 D CA -0.230 53.783 54.000 0.021 0.000 0.902 406 D CB 0.510 41.322 40.800 0.020 0.000 1.131 406 D HN 0.034 nan 8.370 nan 0.000 0.447 407 V N 0.196 120.117 119.914 0.012 0.000 2.341 407 V HA -0.026 4.050 4.120 -0.073 0.000 0.240 407 V C 1.175 177.271 176.094 0.004 0.000 1.035 407 V CA 1.090 63.394 62.300 0.007 0.000 1.033 407 V CB -0.260 31.565 31.823 0.004 0.000 0.678 407 V HN 0.188 nan 8.190 nan 0.000 0.464 408 E N -0.628 119.573 120.200 0.003 0.000 2.504 408 E HA 0.413 4.719 4.350 -0.073 0.000 0.253 408 E C -0.512 176.092 176.600 0.006 0.000 1.151 408 E CA -0.640 55.761 56.400 0.002 0.000 0.972 408 E CB 0.754 30.452 29.700 -0.004 0.000 1.247 408 E HN 0.042 nan 8.360 nan 0.000 0.519 409 V N 1.323 121.241 119.914 0.008 0.000 2.901 409 V HA -0.053 4.022 4.120 -0.073 0.000 0.307 409 V C 0.096 176.197 176.094 0.011 0.000 1.084 409 V CA -0.003 62.302 62.300 0.009 0.000 1.184 409 V CB 0.853 32.682 31.823 0.011 0.000 0.941 409 V HN 0.581 nan 8.190 nan 0.000 0.493 410 S N 3.082 118.789 115.700 0.011 0.000 2.737 410 S HA 0.065 4.491 4.470 -0.073 0.000 0.315 410 S C 0.322 174.931 174.600 0.016 0.000 1.236 410 S CA 0.093 58.301 58.200 0.013 0.000 1.093 410 S CB -0.228 62.976 63.200 0.008 0.000 0.832 410 S HN 0.872 nan 8.310 nan 0.000 0.507 411 T N 3.160 117.727 114.554 0.021 0.000 2.855 411 T HA 0.725 5.031 4.350 -0.073 0.000 0.281 411 T C 0.851 175.575 174.700 0.039 0.000 1.007 411 T CA 0.290 62.405 62.100 0.025 0.000 1.009 411 T CB 1.568 70.444 68.868 0.012 0.000 0.983 411 T HN 0.968 nan 8.240 nan 0.000 0.455 412 G N 3.669 112.497 108.800 0.046 0.000 2.503 412 G HA2 -0.074 3.842 3.960 -0.073 0.000 0.235 412 G HA3 -0.074 3.842 3.960 -0.073 0.000 0.235 412 G C -1.332 173.587 174.900 0.032 0.000 1.179 412 G CA 0.074 45.208 45.100 0.056 0.000 0.944 412 G HN 0.763 nan 8.290 nan 0.000 0.580 413 D N -0.996 119.419 120.400 0.025 0.000 2.759 413 D HA 0.727 5.323 4.640 -0.073 0.000 0.321 413 D C 0.226 176.495 176.300 -0.052 0.000 1.267 413 D CA -0.892 53.099 54.000 -0.015 0.000 0.933 413 D CB 0.782 41.569 40.800 -0.023 0.000 1.431 413 D HN 0.462 nan 8.370 nan 0.000 0.504 414 R N -0.216 120.214 120.500 -0.118 0.000 2.867 414 R HA 0.476 4.772 4.340 -0.073 0.000 0.227 414 R C 0.851 177.001 176.300 -0.251 0.000 1.372 414 R CA -0.740 55.216 56.100 -0.241 0.000 1.083 414 R CB -0.264 29.885 30.300 -0.252 0.000 1.596 414 R HN 0.232 nan 8.270 nan 0.000 0.522 415 V N 0.318 120.018 119.914 -0.356 0.000 2.913 415 V HA -0.092 3.984 4.120 -0.073 0.000 0.260 415 V C 1.331 177.232 176.094 -0.323 0.000 1.098 415 V CA 2.285 64.357 62.300 -0.380 0.000 1.121 415 V CB -0.504 31.108 31.823 -0.352 0.000 0.714 415 V HN 0.866 nan 8.190 nan 0.000 0.487 416 A N -2.535 120.150 122.820 -0.225 0.000 1.475 416 A HA 0.231 4.507 4.320 -0.073 0.000 0.201 416 A C -1.201 176.312 177.584 -0.118 0.000 1.981 416 A CA 0.277 52.218 52.037 -0.161 0.000 1.612 416 A CB -0.999 17.913 19.000 -0.147 0.000 1.532 416 A HN 0.448 nan 8.150 nan 0.000 0.294 417 P HA 0.077 nan 4.420 nan 0.000 0.215 417 P C 0.996 178.251 177.300 -0.075 0.000 1.165 417 P CA 1.339 64.384 63.100 -0.091 0.000 0.840 417 P CB -0.335 31.303 31.700 -0.103 0.000 0.556 418 G N 0.820 109.578 108.800 -0.070 0.000 2.404 418 G HA2 0.042 3.958 3.960 -0.073 0.000 0.289 418 G HA3 0.042 3.958 3.960 -0.073 0.000 0.289 418 G C -0.362 174.508 174.900 -0.050 0.000 1.074 418 G CA -0.097 44.972 45.100 -0.051 0.000 1.210 418 G HN 0.238 nan 8.290 nan 0.000 0.434 419 D N 2.922 123.298 120.400 -0.040 0.000 2.994 419 D HA 0.013 4.609 4.640 -0.073 0.000 0.240 419 D C 0.998 177.289 176.300 -0.016 0.000 1.195 419 D CA -0.157 53.824 54.000 -0.031 0.000 0.957 419 D CB 0.998 41.781 40.800 -0.029 0.000 1.105 419 D HN 0.145 nan 8.370 nan 0.000 0.477 420 V N 2.366 122.272 119.914 -0.014 0.000 2.359 420 V HA -0.067 4.009 4.120 -0.073 0.000 0.228 420 V C 0.596 176.693 176.094 0.005 0.000 1.331 420 V CA 0.622 62.919 62.300 -0.005 0.000 1.419 420 V CB -1.790 30.031 31.823 -0.004 0.000 1.427 420 V HN 0.301 nan 8.190 nan 0.000 0.488 421 L N 0.782 122.009 121.223 0.007 0.000 2.653 421 L HA 0.952 5.248 4.340 -0.073 0.000 0.257 421 L C -0.299 176.579 176.870 0.014 0.000 0.969 421 L CA -0.980 53.869 54.840 0.015 0.000 0.869 421 L CB 1.726 43.799 42.059 0.023 0.000 1.439 421 L HN 0.169 nan 8.230 nan 0.000 0.414 422 A N 1.336 124.166 122.820 0.018 0.000 2.445 422 A HA 0.551 4.827 4.320 -0.073 0.000 0.242 422 A C -0.610 176.986 177.584 0.020 0.000 1.075 422 A CA -0.137 51.909 52.037 0.015 0.000 0.777 422 A CB -0.018 18.991 19.000 0.014 0.000 1.013 422 A HN 0.825 nan 8.150 nan 0.000 0.493 423 D N 0.506 120.916 120.400 0.016 0.000 2.384 423 D HA 0.440 5.036 4.640 -0.073 0.000 0.250 423 D C 0.981 177.295 176.300 0.023 0.000 1.029 423 D CA 0.382 54.394 54.000 0.019 0.000 0.990 423 D CB 0.758 41.566 40.800 0.013 0.000 1.175 423 D HN 0.911 nan 8.370 nan 0.000 0.532 424 G N -0.298 108.518 108.800 0.028 0.000 2.458 424 G HA2 0.056 3.972 3.960 -0.073 0.000 0.300 424 G HA3 0.056 3.972 3.960 -0.073 0.000 0.300 424 G C 0.654 175.577 174.900 0.039 0.000 0.870 424 G CA 1.059 46.179 45.100 0.034 0.000 0.987 424 G HN 0.855 nan 8.290 nan 0.000 0.503 425 G N -1.505 107.321 108.800 0.042 0.000 2.356 425 G HA2 0.479 4.395 3.960 -0.073 0.000 0.281 425 G HA3 0.479 4.395 3.960 -0.073 0.000 0.281 425 G C -0.227 174.697 174.900 0.039 0.000 1.246 425 G CA -0.124 45.001 45.100 0.042 0.000 0.889 425 G HN 0.724 nan 8.290 nan 0.000 0.486 426 K N 0.129 120.544 120.400 0.025 0.000 2.397 426 K HA 0.199 4.475 4.320 -0.073 0.000 0.263 426 K C -0.912 175.699 176.600 0.017 0.000 1.143 426 K CA 0.522 56.817 56.287 0.013 0.000 1.207 426 K CB -0.496 32.002 32.500 -0.004 0.000 0.804 426 K HN 0.509 nan 8.250 nan 0.000 0.494 427 V N 5.846 125.778 119.914 0.030 0.000 2.697 427 V HA 0.157 4.233 4.120 -0.073 0.000 0.300 427 V C -0.993 175.146 176.094 0.075 0.000 1.115 427 V CA -1.076 61.252 62.300 0.046 0.000 0.912 427 V CB 1.904 33.764 31.823 0.062 0.000 1.024 427 V HN 0.662 nan 8.190 nan 0.000 0.431 428 K N 3.015 123.457 120.400 0.071 0.000 2.266 428 K HA 0.612 4.888 4.320 -0.073 0.000 0.274 428 K C -0.040 176.682 176.600 0.202 0.000 1.090 428 K CA -0.121 56.268 56.287 0.170 0.000 0.925 428 K CB 1.466 34.010 32.500 0.072 0.000 1.225 428 K HN 0.584 nan 8.250 nan 0.000 0.458 429 S N 1.358 117.182 115.700 0.206 0.000 2.561 429 S HA 0.161 4.587 4.470 -0.073 0.000 0.282 429 S C 0.979 175.449 174.600 -0.217 0.000 1.123 429 S CA -0.706 57.489 58.200 -0.010 0.000 1.011 429 S CB 0.544 63.727 63.200 -0.028 0.000 1.244 429 S HN 0.523 nan 8.310 nan 0.000 0.503 430 D N 0.390 120.520 120.400 -0.449 0.000 2.104 430 D HA -0.072 4.524 4.640 -0.073 0.000 0.194 430 D C 0.940 176.838 176.300 -0.669 0.000 0.994 430 D CA 1.465 55.157 54.000 -0.513 0.000 0.830 430 D CB 0.082 40.557 40.800 -0.541 0.000 0.959 430 D HN 0.198 nan 8.370 nan 0.000 0.452 431 V N -0.335 119.014 119.914 -0.942 0.000 4.703 431 V HA 0.031 4.107 4.120 -0.073 0.000 0.696 431 V C -1.650 174.240 176.094 -0.339 0.000 2.133 431 V CA -0.445 61.416 62.300 -0.732 0.000 3.034 431 V CB -0.249 31.323 31.823 -0.419 0.000 0.998 431 V HN -0.075 nan 8.190 nan 0.000 0.583 432 Y N -0.359 119.888 120.300 -0.088 0.000 2.420 432 Y HA 0.817 5.323 4.550 -0.073 0.000 0.334 432 Y C 1.362 177.355 175.900 0.156 0.000 1.094 432 Y CA -0.746 57.369 58.100 0.025 0.000 1.126 432 Y CB 1.135 39.603 38.460 0.014 0.000 1.217 432 Y HN 0.031 nan 8.280 nan 0.000 0.462 433 G N 2.314 111.292 108.800 0.296 0.000 2.733 433 G HA2 -0.016 3.900 3.960 -0.073 0.000 0.213 433 G HA3 -0.016 3.900 3.960 -0.073 0.000 0.213 433 G C 0.560 175.561 174.900 0.169 0.000 1.351 433 G CA 0.102 45.345 45.100 0.239 0.000 0.853 433 G HN 0.317 nan 8.290 nan 0.000 0.590 434 R N -0.837 119.731 120.500 0.113 0.000 2.553 434 R HA 0.619 4.915 4.340 -0.073 0.000 0.263 434 R C -1.007 175.343 176.300 0.083 0.000 1.066 434 R CA -0.517 55.637 56.100 0.091 0.000 1.135 434 R CB 1.435 31.791 30.300 0.095 0.000 1.148 434 R HN 0.131 nan 8.270 nan 0.000 0.558 435 V N 1.626 121.584 119.914 0.074 0.000 2.524 435 V HA 0.264 4.340 4.120 -0.073 0.000 0.297 435 V C -0.319 175.806 176.094 0.051 0.000 1.035 435 V CA -0.768 61.570 62.300 0.063 0.000 0.867 435 V CB 1.942 33.807 31.823 0.070 0.000 1.004 435 V HN 0.647 nan 8.190 nan 0.000 0.426 436 E N 2.813 123.037 120.200 0.040 0.000 2.250 436 E HA 0.812 5.118 4.350 -0.073 0.000 0.265 436 E C -1.264 175.352 176.600 0.026 0.000 1.033 436 E CA -0.795 55.628 56.400 0.038 0.000 0.888 436 E CB 2.567 32.289 29.700 0.037 0.000 1.151 436 E HN 0.408 nan 8.360 nan 0.000 0.412 437 V N 1.288 121.215 119.914 0.022 0.000 2.668 437 V HA 0.222 4.298 4.120 -0.073 0.000 0.304 437 V C -1.351 174.748 176.094 0.008 0.000 1.071 437 V CA -0.859 61.449 62.300 0.014 0.000 0.894 437 V CB 2.026 33.857 31.823 0.012 0.000 1.008 437 V HN 0.739 nan 8.190 nan 0.000 0.425 438 D N 3.393 123.794 120.400 0.002 0.000 2.505 438 D HA 0.521 5.117 4.640 -0.073 0.000 0.249 438 D C 0.392 176.686 176.300 -0.009 0.000 1.082 438 D CA -0.489 53.508 54.000 -0.003 0.000 0.839 438 D CB 1.951 42.747 40.800 -0.007 0.000 1.317 438 D HN 0.379 nan 8.370 nan 0.000 0.497 439 L N 3.077 124.294 121.223 -0.010 0.000 2.592 439 L HA 0.118 4.414 4.340 -0.073 0.000 0.227 439 L C 1.696 178.553 176.870 -0.022 0.000 1.127 439 L CA -0.207 54.623 54.840 -0.015 0.000 0.884 439 L CB 0.030 42.084 42.059 -0.008 0.000 1.065 439 L HN 0.385 nan 8.230 nan 0.000 0.457 440 V N 0.291 120.192 119.914 -0.021 0.000 2.232 440 V HA -0.218 3.858 4.120 -0.073 0.000 0.237 440 V C 1.437 177.514 176.094 -0.029 0.000 1.035 440 V CA 1.481 63.764 62.300 -0.029 0.000 0.988 440 V CB -0.296 31.509 31.823 -0.030 0.000 0.636 440 V HN 0.451 nan 8.190 nan 0.000 0.456 441 R N 0.759 121.248 120.500 -0.019 0.000 2.536 441 R HA 0.183 4.479 4.340 -0.073 0.000 0.279 441 R C 0.244 176.534 176.300 -0.017 0.000 1.001 441 R CA -0.435 55.659 56.100 -0.010 0.000 1.027 441 R CB 0.354 30.662 30.300 0.013 0.000 1.096 441 R HN 0.335 nan 8.270 nan 0.000 0.502 442 N N 2.439 121.119 118.700 -0.033 0.000 3.117 442 N HA 0.024 4.720 4.740 -0.073 0.000 0.323 442 N C -1.054 174.453 175.510 -0.005 0.000 1.245 442 N CA 0.296 53.315 53.050 -0.052 0.000 1.191 442 N CB 0.043 38.443 38.487 -0.145 0.000 1.451 442 N HN 0.225 nan 8.380 nan 0.000 0.555 443 V N 1.215 121.131 119.914 0.004 0.000 2.348 443 V HA 0.140 4.216 4.120 -0.073 0.000 0.270 443 V C 0.541 176.641 176.094 0.010 0.000 1.037 443 V CA -0.640 61.669 62.300 0.015 0.000 0.872 443 V CB 1.734 33.563 31.823 0.009 0.000 1.002 443 V HN -0.010 nan 8.190 nan 0.000 0.464 444 V N 7.297 127.222 119.914 0.018 0.000 2.225 444 V HA 0.493 4.569 4.120 -0.073 0.000 0.264 444 V C 0.413 176.518 176.094 0.019 0.000 1.067 444 V CA -0.668 61.643 62.300 0.020 0.000 0.903 444 V CB 0.495 32.334 31.823 0.027 0.000 1.136 444 V HN 0.920 nan 8.190 nan 0.000 0.456 445 R N 3.255 123.759 120.500 0.006 0.000 2.734 445 R HA 0.458 4.754 4.340 -0.073 0.000 0.266 445 R C -0.497 175.803 176.300 -0.000 0.000 1.044 445 R CA 0.174 56.268 56.100 -0.010 0.000 1.128 445 R CB 0.633 30.919 30.300 -0.023 0.000 1.010 445 R HN 0.416 nan 8.270 nan 0.000 0.461 446 V N 2.942 122.843 119.914 -0.021 0.000 2.568 446 V HA 0.145 4.221 4.120 -0.073 0.000 0.276 446 V C -0.328 175.744 176.094 -0.036 0.000 1.002 446 V CA -0.957 61.350 62.300 0.011 0.000 0.879 446 V CB 1.253 33.130 31.823 0.090 0.000 1.040 446 V HN 0.688 nan 8.190 nan 0.000 0.457 447 V N 2.445 122.331 119.914 -0.047 0.000 3.139 447 V HA 0.336 4.412 4.120 -0.073 0.000 0.307 447 V C 0.562 176.663 176.094 0.013 0.000 1.095 447 V CA 0.370 62.620 62.300 -0.084 0.000 1.160 447 V CB 0.942 32.663 31.823 -0.169 0.000 1.003 447 V HN 0.935 nan 8.190 nan 0.000 0.489 448 E N 2.572 122.781 120.200 0.014 0.000 2.947 448 E HA 0.301 4.607 4.350 -0.073 0.000 0.229 448 E C -0.402 176.288 176.600 0.149 0.000 1.158 448 E CA 0.030 56.511 56.400 0.135 0.000 1.441 448 E CB 0.859 30.620 29.700 0.102 0.000 1.414 448 E HN 0.640 nan 8.360 nan 0.000 0.432 449 S N 1.090 116.876 115.700 0.142 0.000 2.667 449 S HA 0.206 4.632 4.470 -0.073 0.000 0.304 449 S C -0.477 174.256 174.600 0.221 0.000 1.135 449 S CA -0.604 57.688 58.200 0.153 0.000 1.125 449 S CB 0.140 63.401 63.200 0.102 0.000 0.996 449 S HN 0.260 nan 8.310 nan 0.000 0.474 450 Y N 2.802 123.139 120.300 0.062 0.000 2.130 450 Y HA 0.037 4.543 4.550 -0.073 0.000 0.383 450 Y C 0.991 176.922 175.900 0.051 0.000 1.258 450 Y CA 0.079 58.206 58.100 0.045 0.000 1.776 450 Y CB 0.303 38.779 38.460 0.027 0.000 1.501 450 Y HN 0.531 nan 8.280 nan 0.000 0.719 451 D N 2.262 122.561 120.400 -0.169 0.000 2.422 451 D HA -0.000 4.596 4.640 -0.073 0.000 0.263 451 D C -0.358 175.951 176.300 0.016 0.000 1.334 451 D CA 0.404 54.330 54.000 -0.124 0.000 1.105 451 D CB -0.632 40.014 40.800 -0.257 0.000 1.107 451 D HN 0.253 nan 8.370 nan 0.000 0.522 452 I N 2.165 122.785 120.570 0.082 0.000 2.243 452 I HA -0.004 4.122 4.170 -0.073 0.000 0.297 452 I C -0.110 176.060 176.117 0.088 0.000 1.161 452 I CA -0.676 60.689 61.300 0.108 0.000 1.298 452 I CB 0.010 38.107 38.000 0.161 0.000 1.475 452 I HN -0.028 nan 8.210 nan 0.000 0.561 453 D N 6.722 127.145 120.400 0.039 0.000 2.419 453 D HA 0.233 4.829 4.640 -0.073 0.000 0.281 453 D C -0.283 176.000 176.300 -0.028 0.000 1.398 453 D CA 0.699 54.703 54.000 0.007 0.000 1.047 453 D CB 0.164 40.960 40.800 -0.007 0.000 1.115 453 D HN 0.596 nan 8.370 nan 0.000 0.540 454 A N 4.397 127.179 122.820 -0.064 0.000 2.311 454 A HA 0.726 5.002 4.320 -0.073 0.000 0.306 454 A C 0.043 177.478 177.584 -0.247 0.000 1.189 454 A CA -0.746 51.143 52.037 -0.247 0.000 0.791 454 A CB 1.026 19.666 19.000 -0.599 0.000 1.172 454 A HN 0.518 nan 8.150 nan 0.000 0.481 455 R N 1.636 122.018 120.500 -0.197 0.000 2.947 455 R HA 0.815 5.111 4.340 -0.073 0.000 0.253 455 R C -0.393 175.823 176.300 -0.140 0.000 1.208 455 R CA -0.836 55.176 56.100 -0.146 0.000 1.012 455 R CB 1.589 31.834 30.300 -0.093 0.000 1.267 455 R HN 0.847 nan 8.270 nan 0.000 0.473 456 M N -1.552 117.978 119.600 -0.116 0.000 3.815 456 M HA 0.561 4.997 4.480 -0.073 0.000 0.347 456 M C -0.033 176.182 176.300 -0.142 0.000 1.626 456 M CA -0.305 54.932 55.300 -0.105 0.000 0.844 456 M CB 0.223 32.770 32.600 -0.088 0.000 2.202 456 M HN 0.684 nan 8.290 nan 0.000 0.467 457 G N 0.155 108.851 108.800 -0.174 0.000 2.907 457 G HA2 0.000 3.916 3.960 -0.073 0.000 0.242 457 G HA3 0.000 3.916 3.960 -0.073 0.000 0.242 457 G C 0.595 175.248 174.900 -0.412 0.000 1.448 457 G CA 0.897 45.821 45.100 -0.294 0.000 0.911 457 G HN 1.757 nan 8.290 nan 0.000 0.553 458 A N -0.601 121.912 122.820 -0.511 0.000 2.234 458 A HA 0.006 4.282 4.320 -0.073 0.000 0.216 458 A C 2.089 179.545 177.584 -0.213 0.000 1.167 458 A CA 2.322 54.103 52.037 -0.427 0.000 0.698 458 A CB -0.404 18.416 19.000 -0.302 0.000 0.779 458 A HN 1.043 nan 8.150 nan 0.000 0.475 459 E N 0.140 120.235 120.200 -0.176 0.000 2.077 459 E HA -0.134 4.172 4.350 -0.073 0.000 0.193 459 E C 2.090 178.634 176.600 -0.094 0.000 0.989 459 E CA 1.072 57.407 56.400 -0.109 0.000 0.800 459 E CB -0.265 29.378 29.700 -0.094 0.000 0.746 459 E HN 0.565 nan 8.360 nan 0.000 0.452 460 A N 1.391 124.146 122.820 -0.109 0.000 1.855 460 A HA -0.139 4.137 4.320 -0.073 0.000 0.215 460 A C 2.096 179.646 177.584 -0.057 0.000 1.191 460 A CA 1.392 53.383 52.037 -0.077 0.000 0.613 460 A CB -0.487 18.470 19.000 -0.073 0.000 0.829 460 A HN 0.347 nan 8.150 nan 0.000 0.442 461 I N 0.178 120.706 120.570 -0.070 0.000 2.454 461 I HA -0.230 3.896 4.170 -0.073 0.000 0.254 461 I C 2.476 178.583 176.117 -0.017 0.000 1.156 461 I CA 1.630 62.920 61.300 -0.018 0.000 1.433 461 I CB -1.694 36.316 38.000 0.017 0.000 1.082 461 I HN 0.561 nan 8.210 nan 0.000 0.432 462 Q N 0.782 120.560 119.800 -0.037 0.000 1.993 462 Q HA -0.221 4.075 4.340 -0.073 0.000 0.202 462 Q C 2.297 178.279 176.000 -0.030 0.000 0.984 462 Q CA 1.747 57.537 55.803 -0.022 0.000 0.837 462 Q CB 0.103 28.826 28.738 -0.024 0.000 0.902 462 Q HN 0.433 nan 8.270 nan 0.000 0.423 463 Q N 0.525 120.304 119.800 -0.035 0.000 2.012 463 Q HA -0.238 4.057 4.340 -0.073 0.000 0.211 463 Q C 2.314 178.290 176.000 -0.041 0.000 1.009 463 Q CA 1.754 57.535 55.803 -0.036 0.000 0.866 463 Q CB -0.972 27.745 28.738 -0.035 0.000 0.945 463 Q HN 0.476 nan 8.270 nan 0.000 0.414 464 L N 0.130 121.331 121.223 -0.036 0.000 2.089 464 L HA -0.213 4.083 4.340 -0.073 0.000 0.213 464 L C 2.579 179.415 176.870 -0.057 0.000 1.079 464 L CA 0.987 55.805 54.840 -0.038 0.000 0.758 464 L CB -0.533 41.513 42.059 -0.022 0.000 0.891 464 L HN 0.192 nan 8.230 nan 0.000 0.433 465 L N -0.610 120.578 121.223 -0.058 0.000 2.156 465 L HA -0.153 4.143 4.340 -0.073 0.000 0.208 465 L C 2.387 179.181 176.870 -0.126 0.000 1.095 465 L CA 1.063 55.845 54.840 -0.095 0.000 0.770 465 L CB -0.156 41.859 42.059 -0.072 0.000 0.914 465 L HN 0.211 nan 8.230 nan 0.000 0.439 466 K N -0.339 120.003 120.400 -0.097 0.000 2.459 466 K HA -0.053 4.223 4.320 -0.073 0.000 0.193 466 K C 1.027 177.573 176.600 -0.090 0.000 1.030 466 K CA 0.544 56.770 56.287 -0.103 0.000 1.026 466 K CB 0.290 32.749 32.500 -0.067 0.000 0.809 466 K HN 0.369 nan 8.250 nan 0.000 0.504 467 E N 0.112 120.264 120.200 -0.081 0.000 2.511 467 E HA 0.122 4.428 4.350 -0.073 0.000 0.209 467 E C -0.388 176.167 176.600 -0.075 0.000 0.986 467 E CA -0.160 56.200 56.400 -0.068 0.000 0.974 467 E CB 0.603 30.273 29.700 -0.050 0.000 1.030 467 E HN 0.109 nan 8.360 nan 0.000 0.490 468 L N 2.680 123.844 121.223 -0.098 0.000 2.407 468 L HA 0.116 4.412 4.340 -0.073 0.000 0.282 468 L C 0.206 177.011 176.870 -0.108 0.000 1.110 468 L CA -0.138 54.640 54.840 -0.104 0.000 0.863 468 L CB 0.160 42.138 42.059 -0.135 0.000 1.207 468 L HN -0.034 nan 8.230 nan 0.000 0.454 469 D N 4.410 124.762 120.400 -0.081 0.000 2.374 469 D HA 0.100 4.696 4.640 -0.073 0.000 0.240 469 D C 1.226 177.482 176.300 -0.074 0.000 1.229 469 D CA -0.094 53.863 54.000 -0.072 0.000 0.895 469 D CB 0.979 41.748 40.800 -0.051 0.000 1.046 469 D HN 0.445 nan 8.370 nan 0.000 0.498 470 L N 3.015 124.184 121.223 -0.090 0.000 1.965 470 L HA -0.258 4.038 4.340 -0.073 0.000 0.226 470 L C 2.315 179.156 176.870 -0.048 0.000 1.083 470 L CA 1.389 56.178 54.840 -0.084 0.000 0.790 470 L CB -0.500 41.509 42.059 -0.083 0.000 0.898 470 L HN 0.471 nan 8.230 nan 0.000 0.439 471 E N -0.212 119.968 120.200 -0.033 0.000 2.197 471 E HA -0.336 3.970 4.350 -0.073 0.000 0.205 471 E C 2.089 178.676 176.600 -0.021 0.000 1.029 471 E CA 1.510 57.899 56.400 -0.018 0.000 0.828 471 E CB -0.174 29.518 29.700 -0.013 0.000 0.737 471 E HN 0.580 nan 8.360 nan 0.000 0.464 472 A N 1.190 123.992 122.820 -0.030 0.000 1.825 472 A HA -0.178 4.098 4.320 -0.073 0.000 0.214 472 A C 2.186 179.751 177.584 -0.032 0.000 1.206 472 A CA 1.288 53.306 52.037 -0.030 0.000 0.609 472 A CB -0.848 18.131 19.000 -0.035 0.000 0.851 472 A HN 0.248 nan 8.150 nan 0.000 0.445 473 L N 0.252 121.450 121.223 -0.041 0.000 2.089 473 L HA -0.242 4.054 4.340 -0.073 0.000 0.213 473 L C 2.341 179.194 176.870 -0.028 0.000 1.079 473 L CA 2.767 57.582 54.840 -0.041 0.000 0.758 473 L CB -0.528 41.496 42.059 -0.059 0.000 0.891 473 L HN 0.664 nan 8.230 nan 0.000 0.433 474 E N -0.415 119.772 120.200 -0.021 0.000 2.015 474 E HA -0.271 4.035 4.350 -0.073 0.000 0.191 474 E C 2.112 178.710 176.600 -0.004 0.000 0.991 474 E CA 1.385 57.782 56.400 -0.005 0.000 0.802 474 E CB -0.147 29.556 29.700 0.005 0.000 0.759 474 E HN 0.485 nan 8.360 nan 0.000 0.447 475 K N 0.161 120.556 120.400 -0.008 0.000 2.442 475 K HA -0.167 4.109 4.320 -0.073 0.000 0.198 475 K C 1.907 178.492 176.600 -0.025 0.000 1.044 475 K CA 0.974 57.255 56.287 -0.011 0.000 0.948 475 K CB 0.044 32.537 32.500 -0.010 0.000 0.762 475 K HN 0.067 nan 8.250 nan 0.000 0.472 476 E N 0.844 121.028 120.200 -0.027 0.000 2.076 476 E HA -0.080 4.226 4.350 -0.073 0.000 0.190 476 E C 1.422 178.000 176.600 -0.036 0.000 0.979 476 E CA 1.069 57.448 56.400 -0.035 0.000 0.807 476 E CB 0.100 29.781 29.700 -0.032 0.000 0.761 476 E HN 0.207 nan 8.360 nan 0.000 0.454 477 L N 0.056 121.267 121.223 -0.021 0.000 2.477 477 L HA 0.125 4.421 4.340 -0.073 0.000 0.220 477 L C 2.099 178.971 176.870 0.003 0.000 1.106 477 L CA 0.019 54.854 54.840 -0.010 0.000 0.851 477 L CB -0.151 41.909 42.059 0.000 0.000 0.994 477 L HN 0.165 nan 8.230 nan 0.000 0.462 478 L N -0.220 121.006 121.223 0.004 0.000 2.017 478 L HA -0.186 4.110 4.340 -0.073 0.000 0.208 478 L C 2.545 179.431 176.870 0.027 0.000 1.073 478 L CA 1.313 56.170 54.840 0.029 0.000 0.745 478 L CB -0.442 41.633 42.059 0.027 0.000 0.894 478 L HN 0.274 nan 8.230 nan 0.000 0.432 479 E N -0.194 119.969 120.200 -0.060 0.000 2.285 479 E HA -0.204 4.102 4.350 -0.073 0.000 0.194 479 E C 1.922 178.396 176.600 -0.210 0.000 0.997 479 E CA 0.727 56.973 56.400 -0.256 0.000 0.845 479 E CB 0.102 29.641 29.700 -0.268 0.000 0.782 479 E HN 0.387 nan 8.360 nan 0.000 0.491 480 E N 0.651 120.807 120.200 -0.074 0.000 2.371 480 E HA -0.046 4.260 4.350 -0.073 0.000 0.194 480 E C 1.831 178.448 176.600 0.028 0.000 1.012 480 E CA 0.392 56.774 56.400 -0.029 0.000 0.860 480 E CB 0.045 29.732 29.700 -0.021 0.000 0.811 480 E HN 0.196 nan 8.360 nan 0.000 0.502 481 M N -0.266 119.369 119.600 0.059 0.000 2.206 481 M HA 0.037 4.473 4.480 -0.073 0.000 0.249 481 M C 1.792 178.173 176.300 0.134 0.000 1.125 481 M CA 1.165 56.514 55.300 0.082 0.000 1.166 481 M CB -0.038 32.602 32.600 0.067 0.000 1.266 481 M HN -0.145 nan 8.290 nan 0.000 0.445 482 K N -0.806 119.719 120.400 0.209 0.000 2.633 482 K HA -0.155 4.121 4.320 -0.073 0.000 0.193 482 K C 0.521 177.155 176.600 0.057 0.000 1.033 482 K CA 0.900 57.280 56.287 0.155 0.000 0.980 482 K CB -0.042 32.525 32.500 0.110 0.000 0.800 482 K HN 0.558 nan 8.250 nan 0.000 0.493 483 H N -2.102 116.969 119.070 0.002 0.000 2.258 483 H HA 0.195 4.707 4.556 -0.073 0.000 0.250 483 H C -1.731 173.597 175.328 -0.000 0.000 0.908 483 H CA -0.415 55.633 56.048 0.001 0.000 1.096 483 H CB -1.215 28.547 29.762 0.001 0.000 1.422 483 H HN 0.062 nan 8.280 nan 0.000 0.469 484 P HA 0.087 nan 4.420 nan 0.000 0.272 484 P C 0.085 177.410 177.300 0.042 0.000 1.254 484 P CA -0.047 63.094 63.100 0.069 0.000 0.795 484 P CB 0.556 32.287 31.700 0.050 0.000 1.022 485 S N 0.245 115.960 115.700 0.026 0.000 2.598 485 S HA 0.101 4.527 4.470 -0.073 0.000 0.256 485 S C 1.065 175.673 174.600 0.014 0.000 1.350 485 S CA -0.484 57.725 58.200 0.014 0.000 0.984 485 S CB 0.255 63.461 63.200 0.009 0.000 0.930 485 S HN 0.239 nan 8.310 nan 0.000 0.577 486 R N 0.341 120.845 120.500 0.007 0.000 2.397 486 R HA -0.050 4.246 4.340 -0.073 0.000 0.213 486 R C 1.735 178.040 176.300 0.007 0.000 1.102 486 R CA 0.864 56.968 56.100 0.006 0.000 1.040 486 R CB -1.569 28.731 30.300 0.001 0.000 0.844 486 R HN 0.753 nan 8.270 nan 0.000 0.478 487 A N 1.261 124.086 122.820 0.008 0.000 1.908 487 A HA -0.029 4.247 4.320 -0.073 0.000 0.217 487 A C 1.792 179.382 177.584 0.009 0.000 1.378 487 A CA 0.202 52.243 52.037 0.007 0.000 0.613 487 A CB -0.214 18.789 19.000 0.006 0.000 1.053 487 A HN 0.183 nan 8.150 nan 0.000 0.484 488 R N 0.466 120.972 120.500 0.011 0.000 2.357 488 R HA -0.047 4.249 4.340 -0.073 0.000 0.202 488 R C 1.705 178.014 176.300 0.015 0.000 1.047 488 R CA 1.052 57.158 56.100 0.011 0.000 1.034 488 R CB -0.258 30.048 30.300 0.010 0.000 0.875 488 R HN 0.691 nan 8.270 nan 0.000 0.473 489 R N -0.547 119.965 120.500 0.019 0.000 2.290 489 R HA 0.239 4.535 4.340 -0.073 0.000 0.197 489 R C 1.637 177.950 176.300 0.022 0.000 0.913 489 R CA 0.713 56.829 56.100 0.026 0.000 1.040 489 R CB 0.172 30.492 30.300 0.034 0.000 0.992 489 R HN 0.031 nan 8.270 nan 0.000 0.500 490 A N 2.109 124.939 122.820 0.016 0.000 2.021 490 A HA -0.026 4.250 4.320 -0.073 0.000 0.216 490 A C 2.066 179.658 177.584 0.014 0.000 1.163 490 A CA 0.675 52.721 52.037 0.015 0.000 0.676 490 A CB -0.155 18.850 19.000 0.010 0.000 0.818 490 A HN 0.234 nan 8.150 nan 0.000 0.453 491 K N 0.499 120.906 120.400 0.012 0.000 2.076 491 K HA 0.046 4.322 4.320 -0.073 0.000 0.204 491 K C 1.973 178.580 176.600 0.012 0.000 1.051 491 K CA 1.331 57.624 56.287 0.010 0.000 0.949 491 K CB -0.425 32.079 32.500 0.006 0.000 0.726 491 K HN 0.251 nan 8.250 nan 0.000 0.443 492 A N 1.982 124.811 122.820 0.014 0.000 1.969 492 A HA -0.143 4.133 4.320 -0.073 0.000 0.218 492 A C 2.293 179.891 177.584 0.023 0.000 1.169 492 A CA 1.409 53.455 52.037 0.016 0.000 0.635 492 A CB -0.496 18.514 19.000 0.017 0.000 0.810 492 A HN 0.458 nan 8.150 nan 0.000 0.445 493 R N -0.049 120.468 120.500 0.027 0.000 2.055 493 R HA -0.065 4.231 4.340 -0.073 0.000 0.228 493 R C 1.965 178.287 176.300 0.036 0.000 1.143 493 R CA 1.582 57.703 56.100 0.035 0.000 0.945 493 R CB -0.287 30.034 30.300 0.035 0.000 0.841 493 R HN 0.402 nan 8.270 nan 0.000 0.429 494 K N 0.022 120.440 120.400 0.030 0.000 2.281 494 K HA -0.184 4.092 4.320 -0.073 0.000 0.203 494 K C 2.088 178.708 176.600 0.033 0.000 1.046 494 K CA 1.156 57.462 56.287 0.031 0.000 0.938 494 K CB -0.075 32.438 32.500 0.022 0.000 0.737 494 K HN 0.189 nan 8.250 nan 0.000 0.458 495 R N 0.559 121.076 120.500 0.027 0.000 2.280 495 R HA 0.039 4.335 4.340 -0.073 0.000 0.195 495 R C 1.947 178.265 176.300 0.030 0.000 0.935 495 R CA 0.124 56.238 56.100 0.023 0.000 1.033 495 R CB 0.229 30.535 30.300 0.010 0.000 0.964 495 R HN 0.086 nan 8.270 nan 0.000 0.489 496 L N 0.731 121.977 121.223 0.037 0.000 2.145 496 L HA 0.100 4.396 4.340 -0.073 0.000 0.201 496 L C 1.542 178.451 176.870 0.065 0.000 1.075 496 L CA 1.389 56.255 54.840 0.044 0.000 0.773 496 L CB 0.048 42.132 42.059 0.042 0.000 0.936 496 L HN 0.047 nan 8.230 nan 0.000 0.451 497 E N -0.727 119.514 120.200 0.068 0.000 2.147 497 E HA -0.295 4.011 4.350 -0.073 0.000 0.199 497 E C 2.232 178.888 176.600 0.093 0.000 1.005 497 E CA 1.770 58.216 56.400 0.077 0.000 0.810 497 E CB -0.447 29.296 29.700 0.071 0.000 0.736 497 E HN 0.478 nan 8.360 nan 0.000 0.460 498 V N 0.226 120.206 119.914 0.109 0.000 2.358 498 V HA -0.197 3.879 4.120 -0.073 0.000 0.246 498 V C 2.050 178.332 176.094 0.313 0.000 1.047 498 V CA 1.480 63.887 62.300 0.178 0.000 1.035 498 V CB -0.014 31.907 31.823 0.163 0.000 0.658 498 V HN 0.131 nan 8.190 nan 0.000 0.452 499 V N 0.728 120.753 119.914 0.185 0.000 2.295 499 V HA -0.168 3.908 4.120 -0.073 0.000 0.246 499 V C 2.841 179.054 176.094 0.199 0.000 1.049 499 V CA 2.234 64.621 62.300 0.145 0.000 1.024 499 V CB -1.025 30.811 31.823 0.021 0.000 0.648 499 V HN 0.455 nan 8.190 nan 0.000 0.447 500 R N 0.205 120.784 120.500 0.132 0.000 2.170 500 R HA -0.137 4.159 4.340 -0.073 0.000 0.242 500 R C 2.316 178.683 176.300 0.113 0.000 1.145 500 R CA 1.475 57.637 56.100 0.104 0.000 0.984 500 R CB -1.082 29.266 30.300 0.080 0.000 0.869 500 R HN 0.575 nan 8.270 nan 0.000 0.455 501 A N 0.772 123.670 122.820 0.130 0.000 1.851 501 A HA -0.164 4.112 4.320 -0.073 0.000 0.216 501 A C 2.009 179.585 177.584 -0.014 0.000 1.195 501 A CA 1.391 53.437 52.037 0.016 0.000 0.622 501 A CB -0.754 18.192 19.000 -0.090 0.000 0.831 501 A HN 0.181 nan 8.150 nan 0.000 0.444 502 F N -0.006 119.930 119.950 -0.023 0.000 2.051 502 F HA -0.116 4.367 4.527 -0.073 0.000 0.296 502 F C 2.223 178.012 175.800 -0.019 0.000 1.122 502 F CA 1.283 59.264 58.000 -0.032 0.000 1.201 502 F CB -1.073 37.885 39.000 -0.070 0.000 0.978 502 F HN 0.069 nan 8.300 nan 0.000 0.472 503 L N -0.416 120.940 121.223 0.221 0.000 2.103 503 L HA -0.273 4.023 4.340 -0.073 0.000 0.215 503 L C 1.948 178.863 176.870 0.076 0.000 1.080 503 L CA 1.249 56.154 54.840 0.109 0.000 0.764 503 L CB -0.615 41.493 42.059 0.081 0.000 0.890 503 L HN 0.256 nan 8.230 nan 0.000 0.435 504 D N -0.828 119.613 120.400 0.068 0.000 1.802 504 D HA -0.154 4.442 4.640 -0.073 0.000 0.271 504 D C 1.346 177.672 176.300 0.045 0.000 1.069 504 D CA 0.880 54.908 54.000 0.047 0.000 0.950 504 D CB 0.412 41.234 40.800 0.036 0.000 1.260 504 D HN -0.051 nan 8.370 nan 0.000 0.448 505 S N -0.993 114.729 115.700 0.036 0.000 2.701 505 S HA 0.200 4.626 4.470 -0.073 0.000 0.220 505 S C 0.839 175.464 174.600 0.042 0.000 0.954 505 S CA 0.373 58.597 58.200 0.040 0.000 0.936 505 S CB -0.826 62.396 63.200 0.036 0.000 0.777 505 S HN 0.428 nan 8.310 nan 0.000 0.518 506 G N 1.178 109.999 108.800 0.035 0.000 2.525 506 G HA2 0.251 4.167 3.960 -0.073 0.000 0.276 506 G HA3 0.251 4.167 3.960 -0.073 0.000 0.276 506 G C -0.539 174.407 174.900 0.076 0.000 1.388 506 G CA -0.685 44.427 45.100 0.021 0.000 1.050 506 G HN 0.597 nan 8.290 nan 0.000 0.520 507 N N -0.214 118.545 118.700 0.099 0.000 2.399 507 N HA 0.282 4.978 4.740 -0.073 0.000 0.280 507 N C -0.571 175.034 175.510 0.157 0.000 1.008 507 N CA -0.660 52.518 53.050 0.214 0.000 0.894 507 N CB 1.926 40.636 38.487 0.371 0.000 1.273 507 N HN 0.357 nan 8.380 nan 0.000 0.486 508 R N 2.047 122.556 120.500 0.014 0.000 2.538 508 R HA -0.029 4.267 4.340 -0.073 0.000 0.273 508 R C -1.586 174.440 176.300 -0.456 0.000 0.967 508 R CA -0.528 55.463 56.100 -0.181 0.000 1.101 508 R CB -0.023 30.094 30.300 -0.304 0.000 0.908 508 R HN 0.460 nan 8.270 nan 0.000 0.411 509 P HA -0.111 nan 4.420 nan 0.000 0.278 509 P C -0.314 176.823 177.300 -0.271 0.000 1.366 509 P CA 0.889 63.852 63.100 -0.228 0.000 0.750 509 P CB 0.286 31.564 31.700 -0.702 0.000 1.271 510 E N -0.430 119.450 120.200 -0.533 0.000 2.060 510 E HA -0.079 4.227 4.350 -0.073 0.000 0.189 510 E C 1.864 178.534 176.600 0.117 0.000 0.974 510 E CA 1.071 57.289 56.400 -0.304 0.000 0.808 510 E CB -0.964 28.405 29.700 -0.552 0.000 0.768 510 E HN 0.436 nan 8.360 nan 0.000 0.453 511 W N 0.876 122.230 121.300 0.090 0.000 2.303 511 W HA -0.264 4.352 4.660 -0.073 0.000 0.287 511 W C 1.927 178.560 176.519 0.190 0.000 1.213 511 W CA 0.073 57.481 57.345 0.105 0.000 1.203 511 W CB -0.510 29.015 29.460 0.109 0.000 1.136 511 W HN 0.091 nan 8.180 nan 0.000 0.547 512 M N -0.207 119.659 119.600 0.443 0.000 2.435 512 M HA -0.086 4.350 4.480 -0.073 0.000 0.262 512 M C 0.647 177.204 176.300 0.428 0.000 1.065 512 M CA 1.144 56.758 55.300 0.523 0.000 1.076 512 M CB -0.503 32.320 32.600 0.371 0.000 1.403 512 M HN -0.082 nan 8.290 nan 0.000 0.454 513 I N -0.527 120.216 120.570 0.288 0.000 2.918 513 I HA 0.324 4.450 4.170 -0.073 0.000 0.316 513 I C -0.410 175.784 176.117 0.128 0.000 1.001 513 I CA -0.696 60.716 61.300 0.187 0.000 1.142 513 I CB 1.124 39.198 38.000 0.123 0.000 1.356 513 I HN -0.064 nan 8.210 nan 0.000 0.524 514 L N 2.371 123.628 121.223 0.057 0.000 2.406 514 L HA 0.366 4.662 4.340 -0.073 0.000 0.272 514 L C 0.177 177.039 176.870 -0.012 0.000 0.980 514 L CA -0.133 54.708 54.840 0.001 0.000 0.831 514 L CB 1.699 43.733 42.059 -0.042 0.000 1.253 514 L HN 0.788 nan 8.230 nan 0.000 0.406 515 E N 2.075 122.262 120.200 -0.021 0.000 2.601 515 E HA 0.410 4.716 4.350 -0.073 0.000 0.219 515 E C -0.020 176.564 176.600 -0.027 0.000 0.964 515 E CA -0.215 56.172 56.400 -0.022 0.000 1.050 515 E CB 1.389 31.079 29.700 -0.017 0.000 1.068 515 E HN 0.439 nan 8.360 nan 0.000 0.496 516 A N 1.328 124.122 122.820 -0.044 0.000 2.684 516 A HA 0.415 4.691 4.320 -0.073 0.000 0.289 516 A C -0.739 176.828 177.584 -0.029 0.000 1.139 516 A CA -0.587 51.430 52.037 -0.032 0.000 0.793 516 A CB 1.100 20.029 19.000 -0.118 0.000 1.334 516 A HN 0.062 nan 8.150 nan 0.000 0.408 517 V N 3.946 123.871 119.914 0.019 0.000 2.415 517 V HA 0.195 4.271 4.120 -0.073 0.000 0.267 517 V C -1.973 174.177 176.094 0.094 0.000 1.042 517 V CA -1.023 61.292 62.300 0.026 0.000 1.000 517 V CB 0.488 32.339 31.823 0.048 0.000 1.015 517 V HN 0.693 nan 8.190 nan 0.000 0.478 518 P HA 0.073 nan 4.420 nan 0.000 0.269 518 P C -0.695 176.725 177.300 0.199 0.000 1.211 518 P CA 0.128 63.352 63.100 0.206 0.000 0.781 518 P CB 0.467 32.355 31.700 0.313 0.000 0.877 519 V N 3.184 123.204 119.914 0.176 0.000 2.409 519 V HA 0.150 4.226 4.120 -0.073 0.000 0.290 519 V C 0.067 176.206 176.094 0.076 0.000 1.017 519 V CA -0.947 61.378 62.300 0.042 0.000 0.841 519 V CB 1.274 33.005 31.823 -0.153 0.000 1.003 519 V HN 0.418 nan 8.190 nan 0.000 0.426 520 L N 8.672 129.984 121.223 0.148 0.000 2.605 520 L HA 0.178 4.474 4.340 -0.073 0.000 0.296 520 L C -2.109 174.717 176.870 -0.074 0.000 1.255 520 L CA -0.047 54.843 54.840 0.083 0.000 0.879 520 L CB 0.017 42.176 42.059 0.165 0.000 1.124 520 L HN 0.400 nan 8.230 nan 0.000 0.507 521 P HA 0.059 nan 4.420 nan 0.000 0.270 521 P C -2.237 174.861 177.300 -0.337 0.000 1.227 521 P CA -0.610 62.408 63.100 -0.138 0.000 0.788 521 P CB 0.101 31.800 31.700 -0.001 0.000 0.926 522 P HA -0.115 nan 4.420 nan 0.000 0.208 522 P C 0.927 178.171 177.300 -0.092 0.000 1.203 522 P CA 1.323 64.186 63.100 -0.395 0.000 0.920 522 P CB -0.189 31.308 31.700 -0.337 0.000 0.769 523 D N -0.797 119.577 120.400 -0.043 0.000 2.362 523 D HA -0.126 4.470 4.640 -0.073 0.000 0.215 523 D C 1.704 178.006 176.300 0.003 0.000 0.978 523 D CA 0.880 54.876 54.000 -0.008 0.000 0.921 523 D CB -0.220 40.563 40.800 -0.029 0.000 0.895 523 D HN 0.192 nan 8.370 nan 0.000 0.494 524 L N -0.160 121.062 121.223 -0.002 0.000 2.307 524 L HA 0.020 4.316 4.340 -0.073 0.000 0.211 524 L C 1.672 178.554 176.870 0.020 0.000 1.099 524 L CA 0.424 55.275 54.840 0.018 0.000 0.816 524 L CB 0.116 42.188 42.059 0.021 0.000 0.952 524 L HN -0.019 nan 8.230 nan 0.000 0.455 525 R N -0.930 119.578 120.500 0.014 0.000 2.748 525 R HA 0.336 4.632 4.340 -0.073 0.000 0.395 525 R C -2.495 173.858 176.300 0.088 0.000 1.128 525 R CA -1.502 54.623 56.100 0.042 0.000 1.042 525 R CB -0.568 29.754 30.300 0.036 0.000 1.392 525 R HN -0.042 nan 8.270 nan 0.000 0.582 526 P HA -0.224 nan 4.420 nan 0.000 0.278 526 P C -0.579 176.748 177.300 0.044 0.000 1.259 526 P CA 0.639 63.779 63.100 0.068 0.000 0.843 526 P CB 0.336 32.047 31.700 0.018 0.000 0.821 527 M N 1.743 121.287 119.600 -0.092 0.000 1.980 527 M HA 0.292 4.728 4.480 -0.073 0.000 0.282 527 M C -1.461 174.683 176.300 -0.260 0.000 0.878 527 M CA -0.831 54.305 55.300 -0.273 0.000 0.900 527 M CB 0.179 32.376 32.600 -0.672 0.000 1.577 527 M HN 0.018 nan 8.290 nan 0.000 0.396 528 V N 1.187 121.024 119.914 -0.129 0.000 2.973 528 V HA 0.637 4.712 4.120 -0.073 0.000 0.314 528 V C -0.178 176.002 176.094 0.143 0.000 1.066 528 V CA -0.842 61.443 62.300 -0.026 0.000 1.021 528 V CB 1.563 33.401 31.823 0.026 0.000 1.076 528 V HN 0.762 nan 8.190 nan 0.000 0.462 529 Q N 0.556 120.486 119.800 0.218 0.000 2.282 529 Q HA 0.672 4.968 4.340 -0.073 0.000 0.260 529 Q C -1.017 175.075 176.000 0.155 0.000 0.964 529 Q CA -0.456 55.564 55.803 0.361 0.000 0.880 529 Q CB 1.982 30.897 28.738 0.295 0.000 1.286 529 Q HN 0.764 nan 8.270 nan 0.000 0.445 530 V N 1.074 121.046 119.914 0.096 0.000 6.149 530 V HA 0.232 4.308 4.120 -0.073 0.000 0.279 530 V C -0.329 175.756 176.094 -0.014 0.000 1.601 530 V CA -0.722 61.599 62.300 0.035 0.000 0.658 530 V CB 0.561 32.407 31.823 0.040 0.000 1.462 530 V HN 0.721 nan 8.190 nan 0.000 0.397 531 D N 1.686 122.072 120.400 -0.024 0.000 2.429 531 D HA 0.390 4.986 4.640 -0.073 0.000 0.253 531 D C 0.792 177.049 176.300 -0.071 0.000 1.294 531 D CA 1.503 55.480 54.000 -0.038 0.000 1.063 531 D CB -0.114 40.669 40.800 -0.028 0.000 1.096 531 D HN 0.889 nan 8.370 nan 0.000 0.516 532 G N 2.750 111.499 108.800 -0.084 0.000 2.550 532 G HA2 -0.347 3.569 3.960 -0.073 0.000 0.277 532 G HA3 -0.347 3.569 3.960 -0.073 0.000 0.277 532 G C 1.202 175.975 174.900 -0.212 0.000 1.190 532 G CA 0.025 45.053 45.100 -0.119 0.000 0.971 532 G HN 0.536 nan 8.290 nan 0.000 0.559 533 G N 0.495 109.155 108.800 -0.233 0.000 2.537 533 G HA2 0.006 3.922 3.960 -0.073 0.000 0.220 533 G HA3 0.006 3.922 3.960 -0.073 0.000 0.220 533 G C 0.965 175.610 174.900 -0.425 0.000 1.111 533 G CA 1.255 46.136 45.100 -0.366 0.000 0.748 533 G HN 0.779 nan 8.290 nan 0.000 0.564 534 R N -0.226 120.130 120.500 -0.240 0.000 2.484 534 R HA 0.256 4.552 4.340 -0.073 0.000 0.293 534 R C -0.859 175.394 176.300 -0.080 0.000 1.023 534 R CA 0.250 56.277 56.100 -0.123 0.000 1.037 534 R CB 0.215 30.486 30.300 -0.048 0.000 0.951 534 R HN 0.227 nan 8.270 nan 0.000 0.418 535 F N 0.701 120.645 119.950 -0.010 0.000 2.532 535 F HA 0.548 5.031 4.527 -0.073 0.000 0.321 535 F C 0.149 175.945 175.800 -0.007 0.000 1.089 535 F CA -1.144 56.847 58.000 -0.014 0.000 0.926 535 F CB 2.117 41.108 39.000 -0.015 0.000 1.168 535 F HN 0.482 nan 8.300 nan 0.000 0.459 536 A N 2.140 125.075 122.820 0.193 0.000 2.350 536 A HA 0.769 5.045 4.320 -0.073 0.000 0.324 536 A C -0.772 176.833 177.584 0.034 0.000 1.118 536 A CA -0.613 51.479 52.037 0.091 0.000 0.783 536 A CB 1.895 20.938 19.000 0.071 0.000 1.236 536 A HN 0.611 nan 8.150 nan 0.000 0.457 537 T N 0.778 115.356 114.554 0.040 0.000 3.579 537 T HA 0.374 4.680 4.350 -0.073 0.000 0.360 537 T C -0.472 174.260 174.700 0.054 0.000 1.285 537 T CA -0.320 61.803 62.100 0.039 0.000 1.127 537 T CB 0.572 69.460 68.868 0.033 0.000 1.244 537 T HN 0.797 nan 8.240 nan 0.000 0.476 538 S N 3.869 119.603 115.700 0.056 0.000 2.593 538 S HA -0.025 4.401 4.470 -0.073 0.000 0.300 538 S C 1.011 175.641 174.600 0.051 0.000 1.267 538 S CA -0.006 58.224 58.200 0.050 0.000 1.065 538 S CB 0.329 63.558 63.200 0.048 0.000 0.807 538 S HN 0.762 nan 8.310 nan 0.000 0.499 539 D N 2.498 122.920 120.400 0.036 0.000 2.172 539 D HA -0.167 4.429 4.640 -0.073 0.000 0.196 539 D C 1.775 178.085 176.300 0.017 0.000 0.999 539 D CA 0.802 54.819 54.000 0.029 0.000 0.856 539 D CB -0.234 40.578 40.800 0.019 0.000 0.934 539 D HN 0.476 nan 8.370 nan 0.000 0.453 540 L N 0.655 121.876 121.223 -0.003 0.000 2.064 540 L HA -0.282 4.014 4.340 -0.073 0.000 0.216 540 L C 2.047 178.915 176.870 -0.002 0.000 1.077 540 L CA 1.299 56.099 54.840 -0.068 0.000 0.766 540 L CB -0.279 41.751 42.059 -0.049 0.000 0.890 540 L HN 0.149 nan 8.230 nan 0.000 0.435 541 N N -0.440 118.332 118.700 0.121 0.000 2.166 541 N HA -0.216 4.480 4.740 -0.073 0.000 0.186 541 N C 1.406 177.010 175.510 0.157 0.000 1.019 541 N CA 1.598 54.768 53.050 0.200 0.000 0.856 541 N CB -0.228 38.367 38.487 0.180 0.000 0.993 541 N HN 0.381 nan 8.380 nan 0.000 0.426 542 D N 0.819 121.274 120.400 0.091 0.000 2.183 542 D HA 0.034 4.630 4.640 -0.073 0.000 0.203 542 D C 2.156 178.487 176.300 0.053 0.000 0.969 542 D CA 0.257 54.301 54.000 0.073 0.000 0.842 542 D CB 0.012 40.845 40.800 0.054 0.000 0.957 542 D HN 0.166 nan 8.370 nan 0.000 0.484 543 L N -0.461 120.762 121.223 0.001 0.000 2.093 543 L HA -0.184 4.112 4.340 -0.073 0.000 0.208 543 L C 2.097 178.960 176.870 -0.011 0.000 1.085 543 L CA 0.741 55.554 54.840 -0.045 0.000 0.755 543 L CB -0.299 41.673 42.059 -0.144 0.000 0.904 543 L HN 0.104 nan 8.230 nan 0.000 0.435 544 Y N 0.379 120.678 120.300 -0.002 0.000 2.089 544 Y HA -0.221 4.285 4.550 -0.073 0.000 0.282 544 Y C 2.797 178.694 175.900 -0.006 0.000 1.139 544 Y CA 1.221 59.313 58.100 -0.015 0.000 1.123 544 Y CB -0.567 37.868 38.460 -0.043 0.000 0.980 544 Y HN 0.019 nan 8.280 nan 0.000 0.493 545 R N -0.035 120.579 120.500 0.189 0.000 2.133 545 R HA -0.248 4.048 4.340 -0.073 0.000 0.245 545 R C 2.259 178.609 176.300 0.084 0.000 1.137 545 R CA 1.770 57.934 56.100 0.107 0.000 0.947 545 R CB -0.557 29.798 30.300 0.092 0.000 0.865 545 R HN 0.326 nan 8.270 nan 0.000 0.437 546 R N 0.782 121.328 120.500 0.077 0.000 2.154 546 R HA -0.226 4.070 4.340 -0.073 0.000 0.236 546 R C 2.408 178.743 176.300 0.057 0.000 1.121 546 R CA 1.744 57.878 56.100 0.057 0.000 0.915 546 R CB -1.274 29.053 30.300 0.046 0.000 0.856 546 R HN 0.214 nan 8.270 nan 0.000 0.431 547 L N 1.418 122.682 121.223 0.068 0.000 2.021 547 L HA -0.219 4.077 4.340 -0.073 0.000 0.215 547 L C 2.303 179.208 176.870 0.058 0.000 1.074 547 L CA 1.803 56.683 54.840 0.066 0.000 0.760 547 L CB -0.594 41.522 42.059 0.095 0.000 0.889 547 L HN 0.163 nan 8.230 nan 0.000 0.433 548 I N -0.245 120.364 120.570 0.066 0.000 2.113 548 I HA -0.332 3.794 4.170 -0.073 0.000 0.238 548 I C 2.396 178.530 176.117 0.028 0.000 1.070 548 I CA 1.884 63.207 61.300 0.038 0.000 1.332 548 I CB -1.649 36.369 38.000 0.030 0.000 1.044 548 I HN 0.455 nan 8.210 nan 0.000 0.402 549 N N 0.102 118.822 118.700 0.033 0.000 2.137 549 N HA -0.198 4.498 4.740 -0.073 0.000 0.190 549 N C 1.924 177.447 175.510 0.023 0.000 1.017 549 N CA 0.890 53.956 53.050 0.027 0.000 0.859 549 N CB 0.148 38.654 38.487 0.032 0.000 1.002 549 N HN 0.267 nan 8.380 nan 0.000 0.428 550 R N 0.849 121.364 120.500 0.025 0.000 2.061 550 R HA -0.067 4.229 4.340 -0.073 0.000 0.230 550 R C 1.859 178.166 176.300 0.012 0.000 1.140 550 R CA 1.033 57.145 56.100 0.020 0.000 0.940 550 R CB -1.525 28.788 30.300 0.023 0.000 0.839 550 R HN 0.305 nan 8.270 nan 0.000 0.429 551 N N 1.264 119.972 118.700 0.012 0.000 2.137 551 N HA -0.184 4.512 4.740 -0.073 0.000 0.190 551 N C 1.253 176.764 175.510 0.002 0.000 1.017 551 N CA 1.761 54.814 53.050 0.005 0.000 0.859 551 N CB -0.257 38.234 38.487 0.008 0.000 1.002 551 N HN 0.189 nan 8.380 nan 0.000 0.428 552 N N -0.242 118.461 118.700 0.005 0.000 2.216 552 N HA -0.035 4.661 4.740 -0.073 0.000 0.183 552 N C 1.553 177.065 175.510 0.002 0.000 1.017 552 N CA 0.575 53.626 53.050 0.002 0.000 0.861 552 N CB -0.215 38.275 38.487 0.004 0.000 0.986 552 N HN 0.247 nan 8.380 nan 0.000 0.428 553 R N 0.545 121.049 120.500 0.006 0.000 2.148 553 R HA -0.052 4.244 4.340 -0.073 0.000 0.227 553 R C 1.650 177.951 176.300 0.001 0.000 1.103 553 R CA 0.444 56.547 56.100 0.005 0.000 0.983 553 R CB -0.276 30.029 30.300 0.009 0.000 0.874 553 R HN 0.168 nan 8.270 nan 0.000 0.451 554 L N 1.869 123.091 121.223 -0.000 0.000 1.925 554 L HA -0.258 4.038 4.340 -0.073 0.000 0.232 554 L C 1.596 178.462 176.870 -0.007 0.000 1.089 554 L CA 2.123 56.960 54.840 -0.005 0.000 0.806 554 L CB -1.227 40.827 42.059 -0.008 0.000 0.899 554 L HN 0.063 nan 8.230 nan 0.000 0.435 555 K N 0.131 120.526 120.400 -0.008 0.000 2.030 555 K HA -0.269 4.007 4.320 -0.073 0.000 0.222 555 K C 1.916 178.512 176.600 -0.007 0.000 1.056 555 K CA 2.568 58.850 56.287 -0.008 0.000 0.957 555 K CB -0.442 32.053 32.500 -0.008 0.000 0.727 555 K HN 0.351 nan 8.250 nan 0.000 0.452 556 K N 0.621 121.018 120.400 -0.005 0.000 2.218 556 K HA -0.156 4.120 4.320 -0.073 0.000 0.205 556 K C 2.123 178.721 176.600 -0.004 0.000 1.046 556 K CA 1.178 57.462 56.287 -0.004 0.000 0.933 556 K CB -0.184 32.315 32.500 -0.002 0.000 0.728 556 K HN 0.144 nan 8.250 nan 0.000 0.454 557 L N 0.526 121.746 121.223 -0.004 0.000 2.049 557 L HA -0.131 4.165 4.340 -0.073 0.000 0.203 557 L C 2.176 179.042 176.870 -0.008 0.000 1.074 557 L CA 0.854 55.691 54.840 -0.005 0.000 0.749 557 L CB -0.275 41.782 42.059 -0.004 0.000 0.907 557 L HN 0.168 nan 8.230 nan 0.000 0.439 558 L N -0.362 120.856 121.223 -0.009 0.000 1.997 558 L HA -0.296 4.000 4.340 -0.073 0.000 0.216 558 L C 2.864 179.727 176.870 -0.010 0.000 1.074 558 L CA 1.476 56.310 54.840 -0.011 0.000 0.763 558 L CB -1.248 40.804 42.059 -0.012 0.000 0.890 558 L HN 0.302 nan 8.230 nan 0.000 0.434 559 A N -0.037 122.778 122.820 -0.009 0.000 1.863 559 A HA -0.327 3.949 4.320 -0.073 0.000 0.218 559 A C 1.902 179.480 177.584 -0.009 0.000 1.233 559 A CA 1.845 53.877 52.037 -0.009 0.000 0.655 559 A CB -0.925 18.071 19.000 -0.008 0.000 0.839 559 A HN 0.516 nan 8.150 nan 0.000 0.454 560 Q N 0.074 119.869 119.800 -0.008 0.000 2.871 560 Q HA 0.361 4.657 4.340 -0.073 0.000 0.218 560 Q C 0.699 176.694 176.000 -0.009 0.000 1.204 560 Q CA 0.382 56.181 55.803 -0.008 0.000 0.922 560 Q CB -1.386 27.349 28.738 -0.006 0.000 1.751 560 Q HN 1.048 nan 8.270 nan 0.000 0.476 561 G N 0.363 109.157 108.800 -0.011 0.000 2.698 561 G HA2 -0.070 3.846 3.960 -0.073 0.000 0.233 561 G HA3 -0.070 3.846 3.960 -0.073 0.000 0.233 561 G C -0.634 174.258 174.900 -0.014 0.000 1.352 561 G CA -0.546 44.546 45.100 -0.013 0.000 0.879 561 G HN 1.067 nan 8.290 nan 0.000 0.567 562 A N 0.106 122.915 122.820 -0.017 0.000 2.599 562 A HA 0.687 4.963 4.320 -0.073 0.000 0.300 562 A C -2.480 175.090 177.584 -0.022 0.000 1.151 562 A CA 0.216 52.242 52.037 -0.018 0.000 0.883 562 A CB 1.343 20.333 19.000 -0.017 0.000 1.480 562 A HN 1.108 nan 8.150 nan 0.000 0.401 563 P HA 0.298 nan 4.420 nan 0.000 0.287 563 P C 0.469 177.755 177.300 -0.024 0.000 1.281 563 P CA 0.003 63.086 63.100 -0.028 0.000 0.781 563 P CB 1.509 33.193 31.700 -0.025 0.000 0.903 564 E N 2.351 122.534 120.200 -0.028 0.000 2.048 564 E HA -0.204 4.102 4.350 -0.073 0.000 0.202 564 E C 1.848 178.438 176.600 -0.016 0.000 1.021 564 E CA 1.539 57.927 56.400 -0.021 0.000 0.825 564 E CB -0.859 28.828 29.700 -0.022 0.000 0.756 564 E HN 0.489 nan 8.360 nan 0.000 0.454 565 I N 1.141 121.700 120.570 -0.017 0.000 2.121 565 I HA -0.321 3.805 4.170 -0.073 0.000 0.243 565 I C 2.523 178.637 176.117 -0.005 0.000 1.047 565 I CA 1.513 62.806 61.300 -0.010 0.000 1.308 565 I CB -0.862 37.133 38.000 -0.007 0.000 1.015 565 I HN 0.079 nan 8.210 nan 0.000 0.410 566 I N 0.070 120.637 120.570 -0.006 0.000 2.202 566 I HA -0.253 3.873 4.170 -0.073 0.000 0.242 566 I C 2.547 178.661 176.117 -0.004 0.000 1.091 566 I CA 1.577 62.875 61.300 -0.002 0.000 1.368 566 I CB -0.524 37.473 38.000 -0.004 0.000 1.058 566 I HN 0.174 nan 8.210 nan 0.000 0.410 567 I N 0.642 121.206 120.570 -0.009 0.000 2.194 567 I HA -0.317 3.809 4.170 -0.073 0.000 0.246 567 I C 2.776 178.885 176.117 -0.014 0.000 1.093 567 I CA 1.407 62.700 61.300 -0.012 0.000 1.355 567 I CB -0.459 37.533 38.000 -0.015 0.000 1.046 567 I HN 0.197 nan 8.210 nan 0.000 0.413 568 R N 1.464 121.955 120.500 -0.014 0.000 2.055 568 R HA -0.135 4.161 4.340 -0.073 0.000 0.228 568 R C 1.993 178.293 176.300 -0.001 0.000 1.143 568 R CA 2.032 58.123 56.100 -0.016 0.000 0.945 568 R CB -0.885 29.401 30.300 -0.022 0.000 0.841 568 R HN 0.374 nan 8.270 nan 0.000 0.429 569 N N -0.509 118.196 118.700 0.009 0.000 2.073 569 N HA -0.323 4.373 4.740 -0.073 0.000 0.199 569 N C 1.601 177.122 175.510 0.020 0.000 1.023 569 N CA 1.954 55.017 53.050 0.022 0.000 0.880 569 N CB -0.192 38.307 38.487 0.021 0.000 1.052 569 N HN 0.281 nan 8.380 nan 0.000 0.449 570 E N 0.902 121.108 120.200 0.010 0.000 2.072 570 E HA -0.131 4.175 4.350 -0.073 0.000 0.191 570 E C 1.828 178.428 176.600 0.000 0.000 0.985 570 E CA 1.327 57.731 56.400 0.008 0.000 0.801 570 E CB -0.087 29.615 29.700 0.003 0.000 0.750 570 E HN 0.269 nan 8.360 nan 0.000 0.452 571 K N -0.077 120.316 120.400 -0.012 0.000 2.147 571 K HA -0.133 4.143 4.320 -0.073 0.000 0.205 571 K C 2.298 178.877 176.600 -0.035 0.000 1.049 571 K CA 1.058 57.327 56.287 -0.031 0.000 0.936 571 K CB -0.055 32.418 32.500 -0.045 0.000 0.722 571 K HN 0.010 nan 8.250 nan 0.000 0.446 572 R N 0.512 121.009 120.500 -0.006 0.000 2.064 572 R HA -0.124 4.172 4.340 -0.073 0.000 0.228 572 R C 2.229 178.554 176.300 0.040 0.000 1.144 572 R CA 1.858 57.973 56.100 0.025 0.000 0.932 572 R CB -0.260 30.081 30.300 0.068 0.000 0.833 572 R HN 0.124 nan 8.270 nan 0.000 0.429 573 M N 0.641 120.269 119.600 0.047 0.000 2.113 573 M HA -0.267 4.169 4.480 -0.073 0.000 0.255 573 M C 2.331 178.654 176.300 0.040 0.000 1.073 573 M CA 1.669 57.001 55.300 0.053 0.000 1.091 573 M CB -0.539 32.086 32.600 0.041 0.000 1.309 573 M HN 0.241 nan 8.290 nan 0.000 0.407 574 L N 0.506 121.738 121.223 0.014 0.000 1.971 574 L HA -0.268 4.028 4.340 -0.073 0.000 0.215 574 L C 2.487 179.349 176.870 -0.013 0.000 1.072 574 L CA 2.207 57.048 54.840 0.001 0.000 0.758 574 L CB -0.982 41.068 42.059 -0.015 0.000 0.889 574 L HN 0.316 nan 8.230 nan 0.000 0.433 575 Q N -0.333 119.431 119.800 -0.060 0.000 2.173 575 Q HA -0.277 4.019 4.340 -0.073 0.000 0.208 575 Q C 2.184 178.160 176.000 -0.039 0.000 0.989 575 Q CA 2.184 57.900 55.803 -0.145 0.000 0.872 575 Q CB -0.472 28.054 28.738 -0.353 0.000 0.909 575 Q HN 0.636 nan 8.270 nan 0.000 0.420 576 E N -0.495 119.749 120.200 0.072 0.000 2.028 576 E HA -0.138 4.168 4.350 -0.073 0.000 0.191 576 E C 1.814 178.479 176.600 0.108 0.000 0.988 576 E CA 1.296 57.799 56.400 0.171 0.000 0.799 576 E CB -0.456 29.345 29.700 0.169 0.000 0.755 576 E HN 0.392 nan 8.360 nan 0.000 0.447 577 A N 1.037 123.897 122.820 0.067 0.000 1.927 577 A HA -0.199 4.077 4.320 -0.073 0.000 0.220 577 A C 2.607 180.213 177.584 0.037 0.000 1.185 577 A CA 2.085 54.150 52.037 0.047 0.000 0.639 577 A CB -0.995 18.027 19.000 0.038 0.000 0.820 577 A HN 0.211 nan 8.150 nan 0.000 0.451 578 V N 1.311 121.244 119.914 0.031 0.000 2.453 578 V HA -0.303 3.773 4.120 -0.073 0.000 0.252 578 V C 2.011 178.124 176.094 0.033 0.000 1.068 578 V CA 2.296 64.608 62.300 0.020 0.000 1.070 578 V CB -0.898 30.926 31.823 0.002 0.000 0.664 578 V HN 0.721 nan 8.190 nan 0.000 0.461 579 D N 0.361 120.807 120.400 0.077 0.000 2.216 579 D HA 0.023 4.619 4.640 -0.073 0.000 0.208 579 D C 2.187 178.532 176.300 0.075 0.000 0.960 579 D CA 1.131 55.199 54.000 0.113 0.000 0.861 579 D CB -0.353 40.562 40.800 0.191 0.000 0.985 579 D HN 0.409 nan 8.370 nan 0.000 0.493 580 A N 2.715 125.570 122.820 0.057 0.000 1.891 580 A HA -0.297 3.979 4.320 -0.073 0.000 0.221 580 A C 2.413 179.984 177.584 -0.021 0.000 1.394 580 A CA 3.090 55.141 52.037 0.024 0.000 0.730 580 A CB -1.393 17.613 19.000 0.009 0.000 0.845 580 A HN 0.366 nan 8.150 nan 0.000 0.471 581 L N -1.552 119.616 121.223 -0.091 0.000 2.079 581 L HA -0.122 4.174 4.340 -0.073 0.000 0.210 581 L C 2.334 179.137 176.870 -0.112 0.000 1.081 581 L CA 2.063 56.788 54.840 -0.192 0.000 0.752 581 L CB -0.900 40.901 42.059 -0.430 0.000 0.896 581 L HN 0.412 nan 8.230 nan 0.000 0.433 582 L N -0.760 120.430 121.223 -0.055 0.000 1.971 582 L HA -0.079 4.217 4.340 -0.073 0.000 0.215 582 L C 0.278 177.189 176.870 0.068 0.000 1.072 582 L CA 1.512 56.342 54.840 -0.017 0.000 0.758 582 L CB -0.349 41.733 42.059 0.037 0.000 0.889 582 L HN 0.444 nan 8.230 nan 0.000 0.433 583 D N -1.788 118.686 120.400 0.123 0.000 2.521 583 D HA 0.137 4.733 4.640 -0.073 0.000 0.195 583 D C -1.227 175.150 176.300 0.128 0.000 1.286 583 D CA -0.322 53.782 54.000 0.174 0.000 0.854 583 D CB 1.067 42.074 40.800 0.345 0.000 1.723 583 D HN -0.094 nan 8.370 nan 0.000 0.550 584 N N -0.415 118.337 118.700 0.087 0.000 2.347 584 N HA 0.429 5.125 4.740 -0.073 0.000 0.253 584 N C 1.533 177.079 175.510 0.061 0.000 1.274 584 N CA 1.458 54.548 53.050 0.066 0.000 0.941 584 N CB 0.756 39.270 38.487 0.045 0.000 1.200 584 N HN 0.665 nan 8.380 nan 0.000 0.514 585 G N 0.056 108.883 108.800 0.046 0.000 2.270 585 G HA2 -0.363 3.553 3.960 -0.073 0.000 0.268 585 G HA3 -0.363 3.553 3.960 -0.073 0.000 0.268 585 G C 0.851 175.765 174.900 0.024 0.000 0.982 585 G CA 0.710 45.829 45.100 0.032 0.000 0.628 585 G HN 0.623 nan 8.290 nan 0.000 0.544 586 R N -0.297 120.225 120.500 0.037 0.000 2.319 586 R HA 0.313 4.609 4.340 -0.073 0.000 0.204 586 R C 2.010 178.312 176.300 0.002 0.000 0.954 586 R CA 0.979 57.091 56.100 0.021 0.000 1.066 586 R CB 0.131 30.458 30.300 0.046 0.000 0.991 586 R HN 0.494 nan 8.270 nan 0.000 0.486 587 R N -1.092 119.411 120.500 0.004 0.000 2.390 587 R HA 0.085 4.381 4.340 -0.073 0.000 0.201 587 R C -0.411 175.883 176.300 -0.010 0.000 0.908 587 R CA 0.483 56.563 56.100 -0.032 0.000 1.480 587 R CB 1.304 31.576 30.300 -0.048 0.000 1.681 587 R HN 0.235 nan 8.270 nan 0.000 0.464 588 G N -0.120 108.690 108.800 0.017 0.000 2.338 588 G HA2 0.501 4.417 3.960 -0.073 0.000 0.295 588 G HA3 0.501 4.417 3.960 -0.073 0.000 0.295 588 G C -2.006 172.913 174.900 0.032 0.000 1.461 588 G CA -0.183 44.931 45.100 0.023 0.000 0.817 588 G HN 0.197 nan 8.290 nan 0.000 0.556 589 A N 0.829 123.667 122.820 0.029 0.000 2.332 589 A HA 0.884 5.160 4.320 -0.073 0.000 0.300 589 A C -2.703 174.899 177.584 0.030 0.000 1.153 589 A CA -1.254 50.800 52.037 0.030 0.000 0.764 589 A CB 1.328 20.343 19.000 0.025 0.000 1.174 589 A HN 0.479 nan 8.150 nan 0.000 0.467 590 P HA 0.615 nan 4.420 nan 0.000 0.286 590 P C -0.852 176.464 177.300 0.027 0.000 1.261 590 P CA -0.473 62.646 63.100 0.031 0.000 0.821 590 P CB 1.599 33.318 31.700 0.032 0.000 1.013 591 V N -1.404 118.526 119.914 0.027 0.000 2.789 591 V HA 0.512 4.588 4.120 -0.073 0.000 0.311 591 V C 0.004 176.114 176.094 0.027 0.000 1.073 591 V CA -0.861 61.454 62.300 0.026 0.000 0.921 591 V CB 1.262 33.099 31.823 0.024 0.000 1.009 591 V HN 0.542 nan 8.190 nan 0.000 0.426 592 T N 2.811 117.382 114.554 0.028 0.000 2.906 592 T HA 0.084 4.390 4.350 -0.073 0.000 0.320 592 T C 0.459 175.177 174.700 0.029 0.000 1.088 592 T CA -0.227 61.892 62.100 0.031 0.000 1.120 592 T CB -0.187 68.700 68.868 0.032 0.000 1.000 592 T HN 0.782 nan 8.240 nan 0.000 0.550 593 N N 2.812 121.530 118.700 0.030 0.000 2.225 593 N HA 0.010 4.706 4.740 -0.073 0.000 0.257 593 N C -2.273 173.252 175.510 0.025 0.000 1.252 593 N CA -0.638 52.429 53.050 0.028 0.000 0.833 593 N CB -0.387 38.117 38.487 0.029 0.000 1.068 593 N HN 0.433 nan 8.380 nan 0.000 0.468 594 P HA -0.168 nan 4.420 nan 0.000 0.268 594 P C 0.831 178.142 177.300 0.019 0.000 1.140 594 P CA 1.096 64.208 63.100 0.020 0.000 0.751 594 P CB 0.213 31.924 31.700 0.018 0.000 0.740 595 G N 0.545 109.356 108.800 0.018 0.000 4.332 595 G HA2 -0.010 3.906 3.960 -0.073 0.000 0.198 595 G HA3 -0.010 3.906 3.960 -0.073 0.000 0.198 595 G C -0.430 174.480 174.900 0.017 0.000 1.460 595 G CA 0.268 45.379 45.100 0.017 0.000 0.900 595 G HN 0.878 nan 8.290 nan 0.000 0.325 596 S N 1.194 116.905 115.700 0.019 0.000 2.594 596 S HA 0.553 4.979 4.470 -0.073 0.000 0.296 596 S C -0.724 173.888 174.600 0.020 0.000 1.124 596 S CA -0.246 57.966 58.200 0.019 0.000 1.011 596 S CB 2.092 65.304 63.200 0.020 0.000 1.016 596 S HN 0.168 nan 8.310 nan 0.000 0.485 597 D N 1.304 121.715 120.400 0.019 0.000 2.346 597 D HA 0.036 4.632 4.640 -0.073 0.000 0.248 597 D C 0.677 176.990 176.300 0.021 0.000 1.173 597 D CA 0.009 54.021 54.000 0.020 0.000 0.878 597 D CB -0.208 40.602 40.800 0.018 0.000 0.919 597 D HN 0.480 nan 8.370 nan 0.000 0.513 598 R N 1.989 122.502 120.500 0.021 0.000 2.698 598 R HA 0.093 4.389 4.340 -0.073 0.000 0.266 598 R C -2.522 173.792 176.300 0.023 0.000 1.026 598 R CA -0.781 55.333 56.100 0.022 0.000 1.102 598 R CB 0.063 30.377 30.300 0.023 0.000 0.978 598 R HN -0.125 nan 8.270 nan 0.000 0.436 599 P HA 0.130 nan 4.420 nan 0.000 0.284 599 P C -0.760 176.554 177.300 0.023 0.000 1.343 599 P CA -0.144 62.971 63.100 0.025 0.000 0.826 599 P CB 0.557 32.273 31.700 0.027 0.000 0.956 600 L N 3.681 124.916 121.223 0.020 0.000 2.698 600 L HA 0.019 4.315 4.340 -0.073 0.000 0.272 600 L C 1.373 178.250 176.870 0.011 0.000 1.154 600 L CA -0.088 54.761 54.840 0.014 0.000 0.964 600 L CB -0.275 41.789 42.059 0.008 0.000 1.272 600 L HN 0.408 nan 8.230 nan 0.000 0.483 601 R N 3.742 124.252 120.500 0.016 0.000 3.110 601 R HA -0.046 4.250 4.340 -0.073 0.000 0.347 601 R C 0.704 177.009 176.300 0.008 0.000 0.931 601 R CA 0.044 56.156 56.100 0.020 0.000 1.003 601 R CB 0.044 30.359 30.300 0.026 0.000 0.955 601 R HN 0.765 nan 8.270 nan 0.000 0.405 602 S N 3.692 119.400 115.700 0.013 0.000 2.629 602 S HA -0.023 4.403 4.470 -0.073 0.000 0.250 602 S C 1.466 176.075 174.600 0.016 0.000 1.318 602 S CA -0.544 57.656 58.200 -0.001 0.000 0.970 602 S CB 0.260 63.476 63.200 0.026 0.000 0.996 602 S HN 0.544 nan 8.310 nan 0.000 0.563 603 L N 0.218 121.453 121.223 0.021 0.000 1.938 603 L HA -0.070 4.226 4.340 -0.073 0.000 0.212 603 L C 3.182 180.119 176.870 0.112 0.000 1.085 603 L CA 1.759 56.623 54.840 0.040 0.000 0.760 603 L CB -1.340 40.718 42.059 -0.002 0.000 0.888 603 L HN 0.784 nan 8.230 nan 0.000 0.433 604 T N -0.333 114.351 114.554 0.216 0.000 2.751 604 T HA -0.253 4.053 4.350 -0.073 0.000 0.268 604 T C 1.233 176.030 174.700 0.162 0.000 1.045 604 T CA 2.064 64.337 62.100 0.287 0.000 1.142 604 T CB -0.493 68.632 68.868 0.429 0.000 0.851 604 T HN 0.400 nan 8.240 nan 0.000 0.474 605 D N 0.714 121.188 120.400 0.124 0.000 2.190 605 D HA -0.100 4.496 4.640 -0.073 0.000 0.200 605 D C 1.796 178.147 176.300 0.085 0.000 0.992 605 D CA 1.148 55.201 54.000 0.089 0.000 0.854 605 D CB -0.351 40.491 40.800 0.070 0.000 0.936 605 D HN 0.547 nan 8.370 nan 0.000 0.462 606 I N -0.618 120.003 120.570 0.084 0.000 2.585 606 I HA -0.058 4.068 4.170 -0.073 0.000 0.254 606 I C 2.112 178.285 176.117 0.094 0.000 1.129 606 I CA 0.289 61.636 61.300 0.078 0.000 1.455 606 I CB -0.194 37.843 38.000 0.061 0.000 1.111 606 I HN -0.039 nan 8.210 nan 0.000 0.433 607 L N 0.974 122.260 121.223 0.105 0.000 1.950 607 L HA -0.182 4.114 4.340 -0.073 0.000 0.210 607 L C 2.988 179.910 176.870 0.086 0.000 1.079 607 L CA 2.030 56.935 54.840 0.109 0.000 0.754 607 L CB -0.709 41.442 42.059 0.154 0.000 0.889 607 L HN 0.345 nan 8.230 nan 0.000 0.433 608 S N -0.082 115.662 115.700 0.074 0.000 2.402 608 S HA -0.139 4.287 4.470 -0.073 0.000 0.233 608 S C 1.497 176.142 174.600 0.075 0.000 1.030 608 S CA 0.862 59.068 58.200 0.010 0.000 1.003 608 S CB -0.807 62.402 63.200 0.015 0.000 0.813 608 S HN 0.731 nan 8.310 nan 0.000 0.477 609 G N 1.360 110.237 108.800 0.129 0.000 2.204 609 G HA2 -0.266 3.650 3.960 -0.073 0.000 0.244 609 G HA3 -0.266 3.650 3.960 -0.073 0.000 0.244 609 G C 0.048 175.029 174.900 0.135 0.000 1.062 609 G CA 0.189 45.394 45.100 0.175 0.000 0.798 609 G HN 0.629 nan 8.290 nan 0.000 0.496 610 K N 0.068 120.525 120.400 0.096 0.000 3.387 610 K HA 0.200 4.476 4.320 -0.073 0.000 0.300 610 K C 0.930 177.569 176.600 0.065 0.000 0.980 610 K CA 0.651 56.983 56.287 0.074 0.000 1.098 610 K CB -0.236 32.299 32.500 0.059 0.000 1.227 610 K HN 0.543 nan 8.250 nan 0.000 0.367 611 Q N -1.273 118.569 119.800 0.069 0.000 2.160 611 Q HA 0.051 4.347 4.340 -0.073 0.000 0.192 611 Q C 0.128 176.156 176.000 0.047 0.000 0.637 611 Q CA 0.339 56.173 55.803 0.052 0.000 1.004 611 Q CB 0.305 29.071 28.738 0.045 0.000 1.375 611 Q HN 0.562 nan 8.270 nan 0.000 0.339 612 G N 1.076 109.909 108.800 0.056 0.000 2.189 612 G HA2 -0.421 3.495 3.960 -0.073 0.000 0.267 612 G HA3 -0.421 3.495 3.960 -0.073 0.000 0.267 612 G C 0.738 175.653 174.900 0.024 0.000 0.975 612 G CA 0.863 45.981 45.100 0.029 0.000 0.644 612 G HN 0.420 nan 8.290 nan 0.000 0.537 613 R N -0.493 120.045 120.500 0.062 0.000 2.103 613 R HA -0.092 4.204 4.340 -0.073 0.000 0.242 613 R C 2.294 178.646 176.300 0.086 0.000 1.142 613 R CA 2.311 58.451 56.100 0.066 0.000 0.960 613 R CB -0.410 29.941 30.300 0.086 0.000 0.858 613 R HN 0.655 nan 8.270 nan 0.000 0.439 614 F N 1.369 121.316 119.950 -0.004 0.000 2.206 614 F HA -0.054 4.429 4.527 -0.073 0.000 0.298 614 F C 2.105 177.882 175.800 -0.037 0.000 1.090 614 F CA 1.062 59.053 58.000 -0.016 0.000 1.323 614 F CB -0.190 38.804 39.000 -0.011 0.000 1.028 614 F HN -0.103 nan 8.300 nan 0.000 0.492 615 R N 0.507 120.782 120.500 -0.374 0.000 2.080 615 R HA -0.207 4.089 4.340 -0.073 0.000 0.236 615 R C 2.326 178.413 176.300 -0.355 0.000 1.137 615 R CA 1.694 57.513 56.100 -0.468 0.000 0.943 615 R CB -1.325 28.850 30.300 -0.209 0.000 0.846 615 R HN 0.433 nan 8.270 nan 0.000 0.431 616 Q N 0.621 120.305 119.800 -0.193 0.000 2.224 616 Q HA -0.125 4.171 4.340 -0.073 0.000 0.203 616 Q C 1.699 177.620 176.000 -0.132 0.000 0.970 616 Q CA 1.061 56.786 55.803 -0.130 0.000 0.865 616 Q CB -0.136 28.563 28.738 -0.065 0.000 0.922 616 Q HN 0.255 nan 8.270 nan 0.000 0.445 617 N N 0.614 119.229 118.700 -0.142 0.000 2.062 617 N HA -0.117 4.579 4.740 -0.073 0.000 0.191 617 N C 1.380 176.800 175.510 -0.150 0.000 1.042 617 N CA 0.875 53.876 53.050 -0.082 0.000 0.845 617 N CB -0.201 38.312 38.487 0.045 0.000 1.024 617 N HN 0.268 nan 8.380 nan 0.000 0.424 618 L N 1.452 122.464 121.223 -0.351 0.000 2.672 618 L HA 0.142 4.438 4.340 -0.073 0.000 0.236 618 L C 1.132 177.823 176.870 -0.298 0.000 1.186 618 L CA -0.061 54.582 54.840 -0.329 0.000 0.977 618 L CB 0.075 41.858 42.059 -0.459 0.000 1.203 618 L HN 0.186 nan 8.230 nan 0.000 0.448 619 L N -0.442 120.636 121.223 -0.242 0.000 2.872 619 L HA 0.471 4.767 4.340 -0.073 0.000 0.245 619 L C 0.765 177.566 176.870 -0.114 0.000 1.211 619 L CA -0.074 54.660 54.840 -0.176 0.000 1.013 619 L CB -0.156 41.805 42.059 -0.164 0.000 1.326 619 L HN 0.156 nan 8.230 nan 0.000 0.525 620 G N 1.062 109.797 108.800 -0.108 0.000 2.880 620 G HA2 -0.307 3.609 3.960 -0.073 0.000 0.617 620 G HA3 -0.307 3.609 3.960 -0.073 0.000 0.617 620 G C -0.190 174.681 174.900 -0.048 0.000 1.493 620 G CA 0.160 45.218 45.100 -0.071 0.000 0.916 620 G HN 0.508 nan 8.290 nan 0.000 0.553 621 K N 0.485 120.867 120.400 -0.030 0.000 3.736 621 K HA 0.722 4.998 4.320 -0.073 0.000 0.223 621 K C 1.048 177.646 176.600 -0.002 0.000 1.121 621 K CA -0.220 56.060 56.287 -0.013 0.000 1.731 621 K CB 0.475 32.973 32.500 -0.003 0.000 2.462 621 K HN 0.600 nan 8.250 nan 0.000 0.657 622 R N 0.068 120.575 120.500 0.012 0.000 2.771 622 R HA 0.494 4.790 4.340 -0.073 0.000 0.274 622 R C -1.511 174.818 176.300 0.049 0.000 0.987 622 R CA -0.809 55.308 56.100 0.027 0.000 0.908 622 R CB 2.207 32.519 30.300 0.019 0.000 1.213 622 R HN 0.112 nan 8.270 nan 0.000 0.468 623 V N 1.963 121.927 119.914 0.084 0.000 2.435 623 V HA 0.069 4.145 4.120 -0.073 0.000 0.290 623 V C 0.594 176.764 176.094 0.126 0.000 1.030 623 V CA -0.371 62.003 62.300 0.123 0.000 0.881 623 V CB 1.652 33.587 31.823 0.187 0.000 0.983 623 V HN 0.748 nan 8.190 nan 0.000 0.445 624 D N 2.547 123.044 120.400 0.162 0.000 2.123 624 D HA -0.144 4.452 4.640 -0.073 0.000 0.196 624 D C 0.353 176.634 176.300 -0.033 0.000 0.992 624 D CA 2.047 56.101 54.000 0.090 0.000 0.833 624 D CB 0.125 41.051 40.800 0.210 0.000 0.954 624 D HN 0.655 nan 8.370 nan 0.000 0.455 625 Y N 0.181 120.494 120.300 0.021 0.000 2.696 625 Y HA 0.270 4.776 4.550 -0.074 0.000 0.378 625 Y C 0.522 176.393 175.900 -0.049 0.000 1.012 625 Y CA -0.889 57.196 58.100 -0.025 0.000 1.396 625 Y CB -0.010 38.422 38.460 -0.048 0.000 1.415 625 Y HN -0.212 nan 8.280 nan 0.000 0.569 626 S N -0.645 115.083 115.700 0.047 0.000 2.745 626 S HA 0.978 5.404 4.470 -0.073 0.000 0.292 626 S C 0.133 174.659 174.600 -0.123 0.000 1.133 626 S CA -0.480 57.675 58.200 -0.076 0.000 0.998 626 S CB 2.325 65.503 63.200 -0.038 0.000 1.087 626 S HN 0.534 nan 8.310 nan 0.000 0.551 627 G N -0.021 108.667 108.800 -0.187 0.000 2.691 627 G HA2 0.537 4.453 3.960 -0.073 0.000 0.298 627 G HA3 0.537 4.453 3.960 -0.073 0.000 0.298 627 G C -1.756 173.056 174.900 -0.147 0.000 1.471 627 G CA -0.915 44.104 45.100 -0.135 0.000 0.912 627 G HN 0.787 nan 8.290 nan 0.000 0.553 628 R N 0.782 121.221 120.500 -0.102 0.000 2.575 628 R HA 0.787 5.083 4.340 -0.073 0.000 0.293 628 R C -1.030 175.227 176.300 -0.072 0.000 0.983 628 R CA -0.397 55.649 56.100 -0.091 0.000 0.887 628 R CB 2.069 32.325 30.300 -0.073 0.000 1.184 628 R HN 0.751 nan 8.270 nan 0.000 0.445 629 S N 2.480 118.136 115.700 -0.073 0.000 2.840 629 S HA 0.572 4.998 4.470 -0.073 0.000 0.307 629 S C -1.182 173.381 174.600 -0.061 0.000 1.180 629 S CA -0.554 57.608 58.200 -0.063 0.000 0.846 629 S CB 1.651 64.813 63.200 -0.064 0.000 1.233 629 S HN 0.272 nan 8.310 nan 0.000 0.548 630 V N 2.664 122.547 119.914 -0.051 0.000 2.617 630 V HA 0.515 4.591 4.120 -0.073 0.000 0.298 630 V C 0.254 176.325 176.094 -0.038 0.000 1.048 630 V CA -0.631 61.644 62.300 -0.043 0.000 0.964 630 V CB 1.000 32.806 31.823 -0.029 0.000 1.004 630 V HN 0.765 nan 8.190 nan 0.000 0.466 631 I N 1.783 122.338 120.570 -0.024 0.000 2.676 631 I HA 0.908 5.034 4.170 -0.073 0.000 0.309 631 I C -0.839 175.387 176.117 0.181 0.000 0.990 631 I CA -0.621 60.691 61.300 0.020 0.000 1.168 631 I CB 2.003 39.970 38.000 -0.055 0.000 1.343 631 I HN 0.324 nan 8.210 nan 0.000 0.482 632 V N 4.600 124.636 119.914 0.204 0.000 2.969 632 V HA 0.218 4.294 4.120 -0.073 0.000 0.304 632 V C -0.291 175.680 176.094 -0.205 0.000 1.192 632 V CA -0.844 61.501 62.300 0.074 0.000 0.962 632 V CB 2.159 33.944 31.823 -0.063 0.000 1.045 632 V HN 0.692 nan 8.190 nan 0.000 0.428 633 V N 3.280 122.638 119.914 -0.926 0.000 2.694 633 V HA 0.426 4.502 4.120 -0.073 0.000 0.306 633 V C 1.041 176.872 176.094 -0.439 0.000 1.054 633 V CA 1.376 63.128 62.300 -0.915 0.000 1.161 633 V CB 1.270 32.425 31.823 -1.113 0.000 0.916 633 V HN 1.134 nan 8.190 nan 0.000 0.490 634 G N 7.010 115.622 108.800 -0.313 0.000 4.873 634 G HA2 0.399 4.315 3.960 -0.073 0.000 0.314 634 G HA3 0.399 4.315 3.960 -0.073 0.000 0.314 634 G C -1.515 173.230 174.900 -0.259 0.000 1.426 634 G CA -0.675 44.278 45.100 -0.245 0.000 1.136 634 G HN 0.713 nan 8.290 nan 0.000 0.589 635 P HA -0.291 nan 4.420 nan 0.000 0.214 635 P C 1.660 178.889 177.300 -0.118 0.000 1.099 635 P CA 1.452 64.408 63.100 -0.241 0.000 0.976 635 P CB 0.296 31.794 31.700 -0.337 0.000 0.774 636 Q N -1.193 118.525 119.800 -0.137 0.000 2.482 636 Q HA 0.095 4.391 4.340 -0.073 0.000 0.209 636 Q C 1.171 177.118 176.000 -0.089 0.000 0.961 636 Q CA 0.080 55.813 55.803 -0.116 0.000 0.945 636 Q CB -0.824 27.823 28.738 -0.152 0.000 1.012 636 Q HN 0.350 nan 8.270 nan 0.000 0.515 637 L N 0.956 122.113 121.223 -0.109 0.000 2.444 637 L HA -0.023 4.273 4.340 -0.073 0.000 0.251 637 L C 0.215 177.121 176.870 0.059 0.000 1.247 637 L CA 0.554 55.365 54.840 -0.048 0.000 0.825 637 L CB 0.494 42.504 42.059 -0.081 0.000 1.129 637 L HN -0.122 nan 8.230 nan 0.000 0.527 638 K N 1.611 122.127 120.400 0.192 0.000 2.427 638 K HA 0.241 4.517 4.320 -0.073 0.000 0.252 638 K C 0.733 177.555 176.600 0.371 0.000 0.931 638 K CA -0.689 55.775 56.287 0.296 0.000 0.793 638 K CB 1.923 34.532 32.500 0.182 0.000 1.211 638 K HN 0.588 nan 8.250 nan 0.000 0.426 639 L N 1.122 122.469 121.223 0.207 0.000 2.058 639 L HA -0.360 3.936 4.340 -0.073 0.000 0.226 639 L C 2.232 179.221 176.870 0.200 0.000 1.089 639 L CA 1.809 56.596 54.840 -0.088 0.000 0.799 639 L CB -0.664 41.302 42.059 -0.155 0.000 0.900 639 L HN 0.749 nan 8.230 nan 0.000 0.442 640 H N 0.139 119.250 119.070 0.068 0.000 2.394 640 H HA -0.149 4.363 4.556 -0.074 0.000 0.297 640 H C 1.076 176.492 175.328 0.146 0.000 1.113 640 H CA 1.467 57.548 56.048 0.055 0.000 1.277 640 H CB -0.071 29.706 29.762 0.025 0.000 1.370 640 H HN 0.522 nan 8.280 nan 0.000 0.506 641 Q N -1.359 118.529 119.800 0.147 0.000 2.427 641 Q HA 0.522 4.818 4.340 -0.073 0.000 0.232 641 Q C -0.508 175.548 176.000 0.093 0.000 1.018 641 Q CA -0.535 55.315 55.803 0.077 0.000 0.965 641 Q CB 2.161 30.911 28.738 0.020 0.000 1.232 641 Q HN 0.338 nan 8.270 nan 0.000 0.510 642 C N -1.893 117.388 119.300 -0.032 0.000 3.312 642 C HA 0.899 5.315 4.460 -0.073 0.000 0.332 642 C C -0.954 173.959 174.990 -0.128 0.000 1.340 642 C CA -0.262 58.618 59.018 -0.229 0.000 1.265 642 C CB 1.262 28.724 27.740 -0.463 0.000 1.563 642 C HN 0.975 nan 8.230 nan 0.000 0.471 643 G N 2.528 111.237 108.800 -0.151 0.000 2.675 643 G HA2 0.695 4.611 3.960 -0.073 0.000 0.297 643 G HA3 0.695 4.611 3.960 -0.073 0.000 0.297 643 G C -1.296 173.543 174.900 -0.103 0.000 1.399 643 G CA -0.368 44.667 45.100 -0.109 0.000 0.981 643 G HN 1.386 nan 8.290 nan 0.000 0.519 644 L N 1.331 122.508 121.223 -0.076 0.000 2.330 644 L HA 0.816 5.112 4.340 -0.073 0.000 0.271 644 L C -2.808 174.014 176.870 -0.081 0.000 1.013 644 L CA -3.390 51.409 54.840 -0.068 0.000 0.816 644 L CB 1.076 43.115 42.059 -0.033 0.000 1.287 644 L HN 0.091 nan 8.230 nan 0.000 0.435 645 P HA 0.189 nan 4.420 nan 0.000 0.271 645 P C 0.069 177.290 177.300 -0.131 0.000 1.216 645 P CA -0.479 62.552 63.100 -0.115 0.000 0.776 645 P CB 0.654 32.298 31.700 -0.093 0.000 0.881 646 K N 3.707 123.961 120.400 -0.242 0.000 1.978 646 K HA -0.255 4.021 4.320 -0.073 0.000 0.214 646 K C 1.817 178.303 176.600 -0.190 0.000 1.049 646 K CA 1.222 57.301 56.287 -0.347 0.000 0.939 646 K CB -0.686 31.301 32.500 -0.855 0.000 0.721 646 K HN 0.002 nan 8.250 nan 0.000 0.441 647 R N 0.995 121.392 120.500 -0.172 0.000 2.228 647 R HA -0.178 4.118 4.340 -0.073 0.000 0.264 647 R C 2.201 178.519 176.300 0.030 0.000 1.179 647 R CA 2.147 58.250 56.100 0.005 0.000 0.998 647 R CB -0.462 29.839 30.300 0.001 0.000 0.885 647 R HN 0.634 nan 8.270 nan 0.000 0.466 648 M N -1.744 117.853 119.600 -0.006 0.000 2.155 648 M HA 0.024 4.460 4.480 -0.073 0.000 0.258 648 M C 2.024 178.361 176.300 0.061 0.000 1.092 648 M CA 1.689 56.995 55.300 0.010 0.000 1.153 648 M CB -0.275 32.314 32.600 -0.019 0.000 1.316 648 M HN 0.179 nan 8.290 nan 0.000 0.431 649 A N 1.113 123.986 122.820 0.088 0.000 1.940 649 A HA -0.273 4.003 4.320 -0.073 0.000 0.221 649 A C 2.034 179.797 177.584 0.300 0.000 1.190 649 A CA 2.147 54.328 52.037 0.239 0.000 0.647 649 A CB -1.417 17.691 19.000 0.180 0.000 0.821 649 A HN 0.634 nan 8.150 nan 0.000 0.457 650 L N -0.446 120.913 121.223 0.228 0.000 1.997 650 L HA -0.220 4.076 4.340 -0.073 0.000 0.216 650 L C 2.380 179.384 176.870 0.224 0.000 1.074 650 L CA 2.611 57.621 54.840 0.282 0.000 0.763 650 L CB -0.606 41.658 42.059 0.341 0.000 0.890 650 L HN 0.423 nan 8.230 nan 0.000 0.434 651 E N -0.692 119.599 120.200 0.151 0.000 2.015 651 E HA -0.159 4.147 4.350 -0.073 0.000 0.191 651 E C 2.085 178.741 176.600 0.093 0.000 0.991 651 E CA 1.004 57.459 56.400 0.092 0.000 0.802 651 E CB -0.478 29.243 29.700 0.035 0.000 0.759 651 E HN 0.250 nan 8.360 nan 0.000 0.447 652 L N 0.567 121.825 121.223 0.058 0.000 2.056 652 L HA -0.252 4.044 4.340 -0.073 0.000 0.245 652 L C 1.895 178.804 176.870 0.065 0.000 1.099 652 L CA 1.784 56.588 54.840 -0.060 0.000 0.840 652 L CB -1.607 40.274 42.059 -0.298 0.000 0.929 652 L HN 0.156 nan 8.230 nan 0.000 0.440 653 F N 0.255 120.302 119.950 0.162 0.000 2.743 653 F HA 0.074 4.557 4.527 -0.074 0.000 0.298 653 F C 1.747 177.735 175.800 0.313 0.000 1.287 653 F CA -0.052 58.082 58.000 0.223 0.000 1.436 653 F CB -1.540 37.455 39.000 -0.009 0.000 1.099 653 F HN 0.178 nan 8.300 nan 0.000 0.516 654 K N 1.780 122.418 120.400 0.395 0.000 1.990 654 K HA -0.226 4.050 4.320 -0.073 0.000 0.225 654 K C -0.622 176.152 176.600 0.290 0.000 1.053 654 K CA 2.171 58.627 56.287 0.281 0.000 0.982 654 K CB -1.143 31.457 32.500 0.167 0.000 0.734 654 K HN 0.123 nan 8.250 nan 0.000 0.448 655 P HA -0.162 nan 4.420 nan 0.000 0.216 655 P C 0.796 178.204 177.300 0.180 0.000 1.150 655 P CA 1.443 64.653 63.100 0.183 0.000 0.843 655 P CB -0.067 31.715 31.700 0.137 0.000 0.787 656 F N -1.943 118.117 119.950 0.182 0.000 2.408 656 F HA -0.106 4.378 4.527 -0.073 0.000 0.300 656 F C 2.041 177.908 175.800 0.112 0.000 1.090 656 F CA 0.830 58.920 58.000 0.149 0.000 1.427 656 F CB -0.817 38.302 39.000 0.198 0.000 1.070 656 F HN -0.088 nan 8.300 nan 0.000 0.549 657 L N -0.656 120.752 121.223 0.309 0.000 2.145 657 L HA 0.027 4.323 4.340 -0.073 0.000 0.201 657 L C 2.074 179.019 176.870 0.126 0.000 1.075 657 L CA 1.323 56.281 54.840 0.196 0.000 0.773 657 L CB -0.798 41.381 42.059 0.199 0.000 0.936 657 L HN 0.030 nan 8.230 nan 0.000 0.451 658 L N -0.069 121.224 121.223 0.115 0.000 1.991 658 L HA -0.322 3.974 4.340 -0.073 0.000 0.221 658 L C 2.732 179.632 176.870 0.050 0.000 1.079 658 L CA 1.855 56.735 54.840 0.067 0.000 0.778 658 L CB -0.783 41.309 42.059 0.056 0.000 0.893 658 L HN 0.286 nan 8.230 nan 0.000 0.437 659 K N 0.561 120.990 120.400 0.048 0.000 2.044 659 K HA -0.261 4.015 4.320 -0.073 0.000 0.210 659 K C 2.162 178.787 176.600 0.041 0.000 1.049 659 K CA 1.837 58.142 56.287 0.029 0.000 0.927 659 K CB -0.129 32.376 32.500 0.009 0.000 0.713 659 K HN 0.028 nan 8.250 nan 0.000 0.443 660 K N 0.485 120.924 120.400 0.065 0.000 2.097 660 K HA 0.022 4.298 4.320 -0.073 0.000 0.205 660 K C 2.198 178.821 176.600 0.038 0.000 1.050 660 K CA 1.152 57.473 56.287 0.056 0.000 0.938 660 K CB -0.114 32.429 32.500 0.072 0.000 0.718 660 K HN 0.136 nan 8.250 nan 0.000 0.442 661 M N 0.752 120.376 119.600 0.039 0.000 2.082 661 M HA -0.208 4.228 4.480 -0.073 0.000 0.258 661 M C 2.065 178.372 176.300 0.011 0.000 1.069 661 M CA 1.829 57.141 55.300 0.020 0.000 1.102 661 M CB -0.705 31.906 32.600 0.017 0.000 1.336 661 M HN 0.285 nan 8.290 nan 0.000 0.404 662 E N 1.021 121.229 120.200 0.013 0.000 2.204 662 E HA -0.183 4.123 4.350 -0.073 0.000 0.194 662 E C 1.431 178.035 176.600 0.007 0.000 0.989 662 E CA 1.250 57.654 56.400 0.007 0.000 0.824 662 E CB -0.110 29.594 29.700 0.007 0.000 0.756 662 E HN 0.592 nan 8.360 nan 0.000 0.477 663 E N 0.457 120.665 120.200 0.013 0.000 2.107 663 E HA -0.049 4.257 4.350 -0.073 0.000 0.191 663 E C 0.588 177.193 176.600 0.008 0.000 0.982 663 E CA 0.669 57.076 56.400 0.012 0.000 0.809 663 E CB 0.191 29.903 29.700 0.019 0.000 0.756 663 E HN 0.183 nan 8.360 nan 0.000 0.459 664 K N -0.308 120.097 120.400 0.008 0.000 2.098 664 K HA 0.225 4.500 4.320 -0.073 0.000 0.244 664 K C 0.929 177.528 176.600 -0.002 0.000 1.014 664 K CA -0.013 56.276 56.287 0.003 0.000 0.917 664 K CB 0.892 33.393 32.500 0.002 0.000 1.072 664 K HN 0.015 nan 8.250 nan 0.000 0.477 665 G N 0.671 109.468 108.800 -0.006 0.000 3.124 665 G HA2 0.021 3.937 3.960 -0.073 0.000 0.212 665 G HA3 0.021 3.937 3.960 -0.073 0.000 0.212 665 G C 0.886 175.777 174.900 -0.014 0.000 1.181 665 G CA -0.062 45.033 45.100 -0.009 0.000 0.803 665 G HN 0.473 nan 8.290 nan 0.000 0.529 666 I N 0.454 121.013 120.570 -0.017 0.000 3.444 666 I HA 0.299 4.425 4.170 -0.073 0.000 0.287 666 I C 1.028 177.129 176.117 -0.026 0.000 1.302 666 I CA 0.257 61.540 61.300 -0.028 0.000 1.368 666 I CB -0.137 37.840 38.000 -0.037 0.000 1.048 666 I HN 0.187 nan 8.210 nan 0.000 0.487 667 A N 0.124 122.934 122.820 -0.017 0.000 2.573 667 A HA 0.482 4.757 4.320 -0.073 0.000 0.299 667 A C -2.485 175.093 177.584 -0.009 0.000 1.060 667 A CA -0.751 51.278 52.037 -0.015 0.000 0.736 667 A CB 0.655 19.647 19.000 -0.013 0.000 1.280 667 A HN -0.162 nan 8.150 nan 0.000 0.401 668 P HA 0.047 nan 4.420 nan 0.000 0.215 668 P C 0.069 177.366 177.300 -0.004 0.000 1.160 668 P CA 1.177 64.273 63.100 -0.006 0.000 0.869 668 P CB 0.200 31.896 31.700 -0.007 0.000 0.782 669 N N -2.262 116.435 118.700 -0.004 0.000 2.405 669 N HA 0.132 4.828 4.740 -0.073 0.000 0.285 669 N C 0.710 176.219 175.510 -0.001 0.000 1.262 669 N CA -0.586 52.463 53.050 -0.003 0.000 0.773 669 N CB 1.305 39.790 38.487 -0.003 0.000 1.490 669 N HN -0.319 nan 8.380 nan 0.000 0.486 670 V N 1.194 121.108 119.914 0.001 0.000 2.271 670 V HA -0.319 3.757 4.120 -0.073 0.000 0.237 670 V C 2.560 178.655 176.094 0.003 0.000 1.007 670 V CA 2.165 64.467 62.300 0.003 0.000 1.007 670 V CB -0.813 31.012 31.823 0.003 0.000 0.656 670 V HN 0.827 nan 8.190 nan 0.000 0.482 671 K N -0.010 120.391 120.400 0.002 0.000 2.169 671 K HA -0.354 3.922 4.320 -0.073 0.000 0.213 671 K C 2.103 178.702 176.600 -0.001 0.000 1.050 671 K CA 2.374 58.661 56.287 0.001 0.000 0.935 671 K CB -0.798 31.702 32.500 -0.001 0.000 0.722 671 K HN 0.571 nan 8.250 nan 0.000 0.468 672 A N 0.508 123.326 122.820 -0.003 0.000 1.835 672 A HA -0.121 4.155 4.320 -0.073 0.000 0.215 672 A C 2.404 179.983 177.584 -0.008 0.000 1.199 672 A CA 2.753 54.786 52.037 -0.006 0.000 0.615 672 A CB -1.076 17.920 19.000 -0.007 0.000 0.838 672 A HN 0.453 nan 8.150 nan 0.000 0.444 673 A N -0.178 122.639 122.820 -0.005 0.000 1.927 673 A HA -0.274 4.002 4.320 -0.073 0.000 0.220 673 A C 2.202 179.785 177.584 -0.003 0.000 1.185 673 A CA 1.966 54.000 52.037 -0.005 0.000 0.639 673 A CB -0.633 18.368 19.000 0.003 0.000 0.820 673 A HN 0.611 nan 8.150 nan 0.000 0.451 674 R N -1.007 119.495 120.500 0.003 0.000 2.094 674 R HA -0.188 4.108 4.340 -0.073 0.000 0.239 674 R C 2.501 178.801 176.300 -0.001 0.000 1.137 674 R CA 1.811 57.914 56.100 0.006 0.000 0.943 674 R CB -0.411 29.892 30.300 0.007 0.000 0.850 674 R HN 0.517 nan 8.270 nan 0.000 0.433 675 R N 0.066 120.562 120.500 -0.006 0.000 2.083 675 R HA -0.126 4.170 4.340 -0.073 0.000 0.237 675 R C 2.452 178.742 176.300 -0.018 0.000 1.137 675 R CA 1.411 57.505 56.100 -0.010 0.000 0.951 675 R CB -0.297 29.997 30.300 -0.011 0.000 0.851 675 R HN 0.203 nan 8.270 nan 0.000 0.434 676 M N 0.979 120.565 119.600 -0.023 0.000 2.151 676 M HA -0.202 4.234 4.480 -0.073 0.000 0.256 676 M C 1.223 177.497 176.300 -0.044 0.000 1.072 676 M CA 1.764 57.041 55.300 -0.039 0.000 1.090 676 M CB -0.495 32.077 32.600 -0.046 0.000 1.294 676 M HN 0.126 nan 8.290 nan 0.000 0.415 677 L N 0.876 122.080 121.223 -0.031 0.000 2.939 677 L HA 0.029 4.325 4.340 -0.073 0.000 0.239 677 L C 1.426 178.294 176.870 -0.003 0.000 1.325 677 L CA -0.084 54.744 54.840 -0.021 0.000 1.170 677 L CB -0.872 41.188 42.059 0.003 0.000 1.538 677 L HN 0.431 nan 8.230 nan 0.000 0.452 678 E N -0.208 119.987 120.200 -0.009 0.000 2.453 678 E HA 0.133 4.439 4.350 -0.073 0.000 0.211 678 E C 0.441 177.040 176.600 -0.002 0.000 0.897 678 E CA -0.387 56.012 56.400 -0.002 0.000 1.063 678 E CB 0.604 30.301 29.700 -0.005 0.000 1.080 678 E HN 0.394 nan 8.360 nan 0.000 0.512 679 R N 1.118 121.612 120.500 -0.009 0.000 2.561 679 R HA 0.297 4.593 4.340 -0.073 0.000 0.297 679 R C 0.568 176.863 176.300 -0.009 0.000 0.969 679 R CA -0.393 55.703 56.100 -0.006 0.000 0.879 679 R CB 1.645 31.938 30.300 -0.011 0.000 1.178 679 R HN 0.034 nan 8.270 nan 0.000 0.445 680 Q N 1.861 121.665 119.800 0.006 0.000 2.170 680 Q HA -0.214 4.082 4.340 -0.073 0.000 0.203 680 Q C 1.695 177.691 176.000 -0.006 0.000 0.976 680 Q CA 1.727 57.538 55.803 0.015 0.000 0.858 680 Q CB 0.014 28.777 28.738 0.041 0.000 0.907 680 Q HN 0.501 nan 8.270 nan 0.000 0.433 681 R N 0.492 120.986 120.500 -0.009 0.000 2.189 681 R HA -0.058 4.238 4.340 -0.073 0.000 0.223 681 R C 0.600 176.878 176.300 -0.036 0.000 1.092 681 R CA 1.328 57.418 56.100 -0.016 0.000 0.989 681 R CB 0.040 30.334 30.300 -0.011 0.000 0.876 681 R HN 0.070 nan 8.270 nan 0.000 0.457 682 D N 1.120 121.493 120.400 -0.046 0.000 2.342 682 D HA 0.154 4.750 4.640 -0.073 0.000 0.221 682 D C -0.034 176.209 176.300 -0.096 0.000 1.101 682 D CA 0.138 54.102 54.000 -0.059 0.000 0.837 682 D CB 0.324 41.096 40.800 -0.046 0.000 0.938 682 D HN 0.306 nan 8.370 nan 0.000 0.508 683 I N 1.836 122.326 120.570 -0.133 0.000 2.269 683 I HA 0.063 4.189 4.170 -0.073 0.000 0.293 683 I C 0.618 176.570 176.117 -0.276 0.000 1.106 683 I CA -0.430 60.728 61.300 -0.236 0.000 1.248 683 I CB 0.295 38.089 38.000 -0.343 0.000 1.444 683 I HN -0.449 nan 8.210 nan 0.000 0.497 684 K N 4.575 124.843 120.400 -0.219 0.000 2.518 684 K HA -0.037 4.239 4.320 -0.073 0.000 0.276 684 K C 0.244 176.675 176.600 -0.281 0.000 0.974 684 K CA 0.007 56.181 56.287 -0.188 0.000 0.986 684 K CB 0.631 33.052 32.500 -0.133 0.000 0.901 684 K HN 0.455 nan 8.250 nan 0.000 0.497 685 D N 3.076 123.356 120.400 -0.199 0.000 2.494 685 D HA -0.036 4.560 4.640 -0.073 0.000 0.249 685 D C 0.345 176.572 176.300 -0.121 0.000 1.223 685 D CA 0.717 54.599 54.000 -0.198 0.000 0.865 685 D CB 0.174 40.953 40.800 -0.036 0.000 0.974 685 D HN 0.499 nan 8.370 nan 0.000 0.491 686 E N -0.807 119.302 120.200 -0.152 0.000 2.372 686 E HA -0.006 4.300 4.350 -0.073 0.000 0.201 686 E C 2.128 178.682 176.600 -0.076 0.000 0.938 686 E CA -0.006 56.349 56.400 -0.075 0.000 0.944 686 E CB 0.559 30.220 29.700 -0.064 0.000 0.937 686 E HN 0.018 nan 8.360 nan 0.000 0.495 687 V N 0.800 120.599 119.914 -0.192 0.000 2.295 687 V HA -0.259 3.817 4.120 -0.073 0.000 0.246 687 V C 1.884 178.000 176.094 0.038 0.000 1.049 687 V CA 1.849 64.052 62.300 -0.161 0.000 1.024 687 V CB -0.868 30.733 31.823 -0.371 0.000 0.648 687 V HN 0.412 nan 8.190 nan 0.000 0.447 688 W N 0.368 121.668 121.300 0.000 0.000 2.305 688 W HA -0.233 4.383 4.660 -0.073 0.000 0.308 688 W C 2.441 178.953 176.519 -0.012 0.000 1.226 688 W CA 0.774 58.116 57.345 -0.004 0.000 1.253 688 W CB -0.417 29.039 29.460 -0.007 0.000 1.146 688 W HN 0.283 nan 8.180 nan 0.000 0.507 689 D N 0.036 120.571 120.400 0.225 0.000 2.144 689 D HA -0.149 4.447 4.640 -0.073 0.000 0.199 689 D C 2.170 178.521 176.300 0.085 0.000 0.984 689 D CA 1.703 55.773 54.000 0.117 0.000 0.834 689 D CB -0.683 40.157 40.800 0.066 0.000 0.955 689 D HN 0.144 nan 8.370 nan 0.000 0.465 690 A N 1.075 123.946 122.820 0.084 0.000 1.858 690 A HA -0.148 4.128 4.320 -0.073 0.000 0.216 690 A C 2.173 179.805 177.584 0.080 0.000 1.190 690 A CA 0.922 52.997 52.037 0.064 0.000 0.617 690 A CB -0.821 18.208 19.000 0.050 0.000 0.827 690 A HN 0.217 nan 8.150 nan 0.000 0.443 691 L N 0.252 121.560 121.223 0.140 0.000 2.081 691 L HA -0.205 4.091 4.340 -0.073 0.000 0.212 691 L C 2.249 179.135 176.870 0.026 0.000 1.080 691 L CA 2.253 57.167 54.840 0.125 0.000 0.754 691 L CB -0.648 41.573 42.059 0.270 0.000 0.893 691 L HN 0.451 nan 8.230 nan 0.000 0.433 692 E N -0.375 119.854 120.200 0.047 0.000 2.077 692 E HA -0.227 4.079 4.350 -0.073 0.000 0.193 692 E C 1.954 178.552 176.600 -0.002 0.000 0.989 692 E CA 1.429 57.832 56.400 0.006 0.000 0.800 692 E CB -0.058 29.653 29.700 0.019 0.000 0.746 692 E HN 0.676 nan 8.360 nan 0.000 0.452 693 E N 0.467 120.672 120.200 0.008 0.000 1.997 693 E HA -0.173 4.133 4.350 -0.073 0.000 0.201 693 E C 2.277 178.884 176.600 0.010 0.000 1.011 693 E CA 1.470 57.879 56.400 0.014 0.000 0.847 693 E CB -0.254 29.457 29.700 0.018 0.000 0.787 693 E HN -0.037 nan 8.360 nan 0.000 0.472 694 V N 1.398 121.306 119.914 -0.010 0.000 2.255 694 V HA -0.380 3.696 4.120 -0.073 0.000 0.258 694 V C 2.326 178.318 176.094 -0.171 0.000 1.069 694 V CA 2.277 64.543 62.300 -0.058 0.000 1.082 694 V CB -0.759 31.007 31.823 -0.095 0.000 0.707 694 V HN 0.284 nan 8.190 nan 0.000 0.466 695 I N -0.544 119.846 120.570 -0.300 0.000 2.087 695 I HA -0.210 3.916 4.170 -0.073 0.000 0.240 695 I C 1.526 177.549 176.117 -0.157 0.000 1.054 695 I CA 1.221 62.302 61.300 -0.365 0.000 1.311 695 I CB -1.131 36.662 38.000 -0.345 0.000 1.024 695 I HN 0.576 nan 8.210 nan 0.000 0.402 696 H N 0.633 119.622 119.070 -0.134 0.000 3.219 696 H HA 0.187 4.699 4.556 -0.074 0.000 0.283 696 H C 1.292 176.581 175.328 -0.065 0.000 0.894 696 H CA 0.893 56.894 56.048 -0.078 0.000 1.406 696 H CB -0.215 29.520 29.762 -0.046 0.000 1.349 696 H HN 0.474 nan 8.280 nan 0.000 0.550 697 G N 3.713 112.202 108.800 -0.519 0.000 2.729 697 G HA2 -0.291 3.625 3.960 -0.073 0.000 0.216 697 G HA3 -0.291 3.625 3.960 -0.073 0.000 0.216 697 G C 0.479 175.266 174.900 -0.188 0.000 1.252 697 G CA 0.176 45.063 45.100 -0.355 0.000 0.751 697 G HN 0.740 nan 8.290 nan 0.000 0.527 698 K N 0.769 121.077 120.400 -0.154 0.000 2.285 698 K HA 0.463 4.739 4.320 -0.073 0.000 0.255 698 K C 0.507 177.058 176.600 -0.080 0.000 1.000 698 K CA 0.726 56.948 56.287 -0.108 0.000 0.887 698 K CB 1.235 33.648 32.500 -0.145 0.000 0.997 698 K HN 1.213 nan 8.250 nan 0.000 0.510 699 V N -2.652 117.253 119.914 -0.016 0.000 3.206 699 V HA 0.728 4.804 4.120 -0.073 0.000 0.305 699 V C -0.688 175.454 176.094 0.080 0.000 1.257 699 V CA -1.012 61.297 62.300 0.014 0.000 1.057 699 V CB 1.630 33.425 31.823 -0.047 0.000 1.075 699 V HN 0.651 nan 8.190 nan 0.000 0.443 700 V N -0.252 119.724 119.914 0.102 0.000 3.156 700 V HA 0.909 4.985 4.120 -0.073 0.000 0.310 700 V C -1.411 174.753 176.094 0.116 0.000 1.234 700 V CA -1.012 61.350 62.300 0.104 0.000 1.065 700 V CB 1.879 33.775 31.823 0.122 0.000 1.088 700 V HN 1.046 nan 8.190 nan 0.000 0.451 701 L N 1.437 122.740 121.223 0.133 0.000 2.362 701 L HA 0.778 5.074 4.340 -0.073 0.000 0.271 701 L C -0.779 176.228 176.870 0.228 0.000 1.002 701 L CA -0.503 54.441 54.840 0.174 0.000 0.818 701 L CB 1.352 43.495 42.059 0.141 0.000 1.298 701 L HN 0.504 nan 8.230 nan 0.000 0.420 702 L N 2.345 123.764 121.223 0.327 0.000 2.334 702 L HA 0.553 4.849 4.340 -0.073 0.000 0.276 702 L C -0.184 176.879 176.870 0.322 0.000 1.014 702 L CA -0.214 54.763 54.840 0.228 0.000 0.815 702 L CB 1.520 43.653 42.059 0.122 0.000 1.268 702 L HN 0.693 nan 8.230 nan 0.000 0.428 703 N N 0.638 119.463 118.700 0.207 0.000 2.240 703 N HA 0.633 5.329 4.740 -0.073 0.000 0.302 703 N C -0.837 174.781 175.510 0.179 0.000 1.106 703 N CA -0.750 52.458 53.050 0.263 0.000 0.778 703 N CB 2.055 40.667 38.487 0.209 0.000 1.431 703 N HN 0.534 nan 8.380 nan 0.000 0.479 704 R N 2.011 122.667 120.500 0.261 0.000 2.608 704 R HA 0.635 4.931 4.340 -0.073 0.000 0.255 704 R C 0.523 176.861 176.300 0.064 0.000 1.086 704 R CA 0.257 56.452 56.100 0.158 0.000 1.125 704 R CB 0.352 30.814 30.300 0.270 0.000 1.193 704 R HN 0.635 nan 8.270 nan 0.000 0.553 705 A N 1.410 124.243 122.820 0.022 0.000 1.904 705 A HA 0.096 4.372 4.320 -0.073 0.000 0.207 705 A C -1.280 176.302 177.584 -0.004 0.000 1.231 705 A CA 0.966 53.003 52.037 0.000 0.000 0.655 705 A CB -1.772 17.221 19.000 -0.013 0.000 0.875 705 A HN 0.711 nan 8.150 nan 0.000 0.478 706 P HA 0.278 nan 4.420 nan 0.000 0.277 706 P C -1.070 176.200 177.300 -0.051 0.000 1.354 706 P CA 0.079 63.162 63.100 -0.028 0.000 0.891 706 P CB 0.514 32.199 31.700 -0.025 0.000 1.058 707 T N 4.748 119.272 114.554 -0.050 0.000 2.771 707 T HA 0.068 4.374 4.350 -0.073 0.000 0.277 707 T C 1.423 176.055 174.700 -0.112 0.000 0.919 707 T CA 0.288 62.336 62.100 -0.088 0.000 1.163 707 T CB -0.096 68.738 68.868 -0.056 0.000 0.876 707 T HN 0.260 nan 8.240 nan 0.000 0.545 708 L N 2.887 123.995 121.223 -0.191 0.000 2.408 708 L HA 0.230 4.526 4.340 -0.073 0.000 0.215 708 L C 1.390 178.236 176.870 -0.040 0.000 1.081 708 L CA 0.365 55.140 54.840 -0.109 0.000 0.840 708 L CB -0.155 41.867 42.059 -0.061 0.000 1.002 708 L HN 0.747 nan 8.230 nan 0.000 0.468 709 H N -1.864 117.170 119.070 -0.060 0.000 2.943 709 H HA 0.292 4.804 4.556 -0.074 0.000 0.323 709 H C 0.467 175.742 175.328 -0.089 0.000 1.296 709 H CA -0.813 55.193 56.048 -0.070 0.000 1.155 709 H CB 1.056 30.779 29.762 -0.065 0.000 1.882 709 H HN -0.134 nan 8.280 nan 0.000 0.553 710 R N -0.179 120.392 120.500 0.118 0.000 2.105 710 R HA -0.075 4.221 4.340 -0.073 0.000 0.239 710 R C 1.359 177.653 176.300 -0.011 0.000 1.135 710 R CA 1.266 57.379 56.100 0.022 0.000 0.967 710 R CB -0.242 30.063 30.300 0.008 0.000 0.861 710 R HN 0.312 nan 8.270 nan 0.000 0.442 711 L N 1.482 122.757 121.223 0.087 0.000 2.265 711 L HA -0.005 4.290 4.340 -0.073 0.000 0.215 711 L C 2.408 179.066 176.870 -0.353 0.000 1.117 711 L CA 1.919 56.729 54.840 -0.051 0.000 0.782 711 L CB -1.562 40.557 42.059 0.100 0.000 0.914 711 L HN 0.598 nan 8.230 nan 0.000 0.441 712 G N -0.215 108.386 108.800 -0.333 0.000 2.517 712 G HA2 -0.231 3.685 3.960 -0.073 0.000 0.222 712 G HA3 -0.231 3.685 3.960 -0.073 0.000 0.222 712 G C 0.962 175.710 174.900 -0.253 0.000 1.109 712 G CA 0.404 45.260 45.100 -0.406 0.000 0.746 712 G HN 0.356 nan 8.290 nan 0.000 0.576 713 I N -0.237 120.244 120.570 -0.148 0.000 2.499 713 I HA 0.342 4.468 4.170 -0.073 0.000 0.288 713 I C -0.841 175.284 176.117 0.014 0.000 1.048 713 I CA -0.497 60.833 61.300 0.051 0.000 1.062 713 I CB 2.139 40.163 38.000 0.040 0.000 1.238 713 I HN 0.062 nan 8.210 nan 0.000 0.426 714 Q N 4.278 124.188 119.800 0.184 0.000 2.423 714 Q HA 0.793 5.089 4.340 -0.073 0.000 0.278 714 Q C -1.111 174.702 176.000 -0.311 0.000 1.097 714 Q CA -0.925 54.856 55.803 -0.036 0.000 0.809 714 Q CB 3.141 31.948 28.738 0.116 0.000 1.391 714 Q HN 0.713 nan 8.270 nan 0.000 0.428 715 A N 1.869 124.294 122.820 -0.658 0.000 2.318 715 A HA 0.840 5.116 4.320 -0.073 0.000 0.324 715 A C -1.361 175.655 177.584 -0.948 0.000 1.170 715 A CA -0.338 51.326 52.037 -0.622 0.000 0.810 715 A CB 0.339 19.181 19.000 -0.263 0.000 1.198 715 A HN 0.525 nan 8.150 nan 0.000 0.484 716 F N -0.457 119.473 119.950 -0.034 0.000 2.603 716 F HA 0.515 4.998 4.527 -0.074 0.000 0.317 716 F C 0.087 175.818 175.800 -0.115 0.000 1.066 716 F CA -0.942 57.002 58.000 -0.092 0.000 0.941 716 F CB 1.880 40.846 39.000 -0.057 0.000 1.291 716 F HN 0.596 nan 8.300 nan 0.000 0.472 717 Q N 1.196 120.978 119.800 -0.031 0.000 2.406 717 Q HA 0.435 4.731 4.340 -0.073 0.000 0.242 717 Q C -2.796 173.185 176.000 -0.032 0.000 1.036 717 Q CA -2.049 53.701 55.803 -0.088 0.000 0.904 717 Q CB 0.540 29.136 28.738 -0.238 0.000 1.244 717 Q HN 0.192 nan 8.270 nan 0.000 0.478 718 P HA -0.081 nan 4.420 nan 0.000 0.264 718 P C -0.796 176.483 177.300 -0.035 0.000 1.193 718 P CA 0.049 63.151 63.100 0.002 0.000 0.763 718 P CB 0.637 32.365 31.700 0.045 0.000 0.810 719 V N 6.295 126.182 119.914 -0.044 0.000 2.277 719 V HA 0.117 4.193 4.120 -0.073 0.000 0.269 719 V C 0.566 176.618 176.094 -0.071 0.000 1.036 719 V CA -0.521 61.749 62.300 -0.050 0.000 0.821 719 V CB 0.002 31.798 31.823 -0.046 0.000 1.052 719 V HN 0.468 nan 8.190 nan 0.000 0.462 720 L N 5.686 126.861 121.223 -0.080 0.000 2.769 720 L HA -0.055 4.241 4.340 -0.073 0.000 0.293 720 L C 0.548 177.337 176.870 -0.135 0.000 1.224 720 L CA 0.675 55.444 54.840 -0.118 0.000 0.906 720 L CB 0.056 42.027 42.059 -0.147 0.000 1.193 720 L HN 0.643 nan 8.230 nan 0.000 0.488 721 V N 0.438 120.263 119.914 -0.148 0.000 3.417 721 V HA 0.669 4.745 4.120 -0.073 0.000 0.297 721 V C -0.086 175.901 176.094 -0.178 0.000 1.271 721 V CA -0.874 61.340 62.300 -0.144 0.000 1.012 721 V CB 1.797 33.547 31.823 -0.121 0.000 1.241 721 V HN 0.588 nan 8.190 nan 0.000 0.477 722 E N -0.670 119.442 120.200 -0.147 0.000 2.281 722 E HA 0.680 4.986 4.350 -0.073 0.000 0.257 722 E C 0.404 176.935 176.600 -0.115 0.000 0.971 722 E CA 0.510 56.824 56.400 -0.143 0.000 0.839 722 E CB 1.327 30.960 29.700 -0.112 0.000 1.238 722 E HN 1.461 nan 8.360 nan 0.000 0.412 723 G N 1.213 109.956 108.800 -0.096 0.000 2.527 723 G HA2 -0.310 3.606 3.960 -0.073 0.000 0.262 723 G HA3 -0.310 3.606 3.960 -0.073 0.000 0.262 723 G C 0.262 175.123 174.900 -0.065 0.000 1.153 723 G CA 0.624 45.680 45.100 -0.073 0.000 0.954 723 G HN 0.505 nan 8.290 nan 0.000 0.552 724 Q N -0.376 119.388 119.800 -0.061 0.000 1.930 724 Q HA 0.409 4.705 4.340 -0.073 0.000 0.190 724 Q C -0.145 175.823 176.000 -0.054 0.000 0.766 724 Q CA 0.819 56.591 55.803 -0.052 0.000 0.931 724 Q CB 0.424 29.139 28.738 -0.040 0.000 1.227 724 Q HN 0.692 nan 8.270 nan 0.000 0.417 725 S N 0.740 116.403 115.700 -0.062 0.000 2.578 725 S HA 0.604 5.030 4.470 -0.073 0.000 0.301 725 S C -0.143 174.414 174.600 -0.071 0.000 1.091 725 S CA -0.675 57.489 58.200 -0.060 0.000 1.032 725 S CB 1.427 64.593 63.200 -0.056 0.000 1.064 725 S HN 0.296 nan 8.310 nan 0.000 0.508 726 I N 2.038 122.567 120.570 -0.068 0.000 2.307 726 I HA 0.234 4.360 4.170 -0.073 0.000 0.289 726 I C -0.011 176.056 176.117 -0.083 0.000 1.021 726 I CA -0.404 60.844 61.300 -0.086 0.000 1.224 726 I CB 0.553 38.493 38.000 -0.100 0.000 1.376 726 I HN 0.475 nan 8.210 nan 0.000 0.470 727 Q N 5.656 125.392 119.800 -0.105 0.000 2.348 727 Q HA 0.275 4.571 4.340 -0.073 0.000 0.251 727 Q C -0.654 175.264 176.000 -0.137 0.000 1.113 727 Q CA -0.491 55.243 55.803 -0.116 0.000 0.902 727 Q CB 1.227 29.887 28.738 -0.131 0.000 1.333 727 Q HN 0.466 nan 8.270 nan 0.000 0.457 728 L N 2.504 123.682 121.223 -0.075 0.000 2.343 728 L HA 0.251 4.547 4.340 -0.073 0.000 0.275 728 L C -0.258 176.609 176.870 -0.005 0.000 1.056 728 L CA -0.506 54.276 54.840 -0.096 0.000 0.804 728 L CB 0.965 42.994 42.059 -0.050 0.000 1.203 728 L HN 0.529 nan 8.230 nan 0.000 0.440 729 H N 6.048 125.057 119.070 -0.102 0.000 2.803 729 H HA 0.179 4.691 4.556 -0.074 0.000 0.330 729 H C -1.946 173.462 175.328 0.133 0.000 1.057 729 H CA -1.513 54.543 56.048 0.014 0.000 1.458 729 H CB 1.353 31.133 29.762 0.030 0.000 1.470 729 H HN 0.535 nan 8.280 nan 0.000 0.560 730 P HA -0.219 nan 4.420 nan 0.000 0.214 730 P C 1.896 179.462 177.300 0.444 0.000 1.163 730 P CA 1.123 64.407 63.100 0.307 0.000 0.889 730 P CB 0.404 32.271 31.700 0.278 0.000 0.790 731 L N -0.126 121.464 121.223 0.611 0.000 2.021 731 L HA -0.160 4.136 4.340 -0.073 0.000 0.215 731 L C 2.721 179.770 176.870 0.298 0.000 1.074 731 L CA 2.280 57.346 54.840 0.377 0.000 0.760 731 L CB -1.440 40.774 42.059 0.259 0.000 0.889 731 L HN -0.029 nan 8.230 nan 0.000 0.433 732 V N -4.233 115.883 119.914 0.337 0.000 3.305 732 V HA -0.135 3.941 4.120 -0.073 0.000 0.269 732 V C 2.212 178.559 176.094 0.421 0.000 1.157 732 V CA 1.012 63.534 62.300 0.371 0.000 1.157 732 V CB -1.073 31.059 31.823 0.514 0.000 0.772 732 V HN 0.473 nan 8.190 nan 0.000 0.498 733 C N 0.361 119.858 119.300 0.327 0.000 2.419 733 C HA -0.043 4.373 4.460 -0.073 0.000 0.283 733 C C 2.533 177.651 174.990 0.214 0.000 1.373 733 C CA 1.261 60.423 59.018 0.241 0.000 1.781 733 C CB -1.116 26.756 27.740 0.222 0.000 1.886 733 C HN 0.795 nan 8.230 nan 0.000 0.520 734 E N 1.782 122.111 120.200 0.214 0.000 2.046 734 E HA -0.029 4.277 4.350 -0.073 0.000 0.190 734 E C 2.145 178.848 176.600 0.171 0.000 0.982 734 E CA 1.427 57.927 56.400 0.168 0.000 0.800 734 E CB -0.352 29.440 29.700 0.152 0.000 0.756 734 E HN 0.473 nan 8.360 nan 0.000 0.449 735 A N 0.436 123.367 122.820 0.185 0.000 1.836 735 A HA -0.127 4.149 4.320 -0.073 0.000 0.215 735 A C 0.541 178.142 177.584 0.028 0.000 1.214 735 A CA 1.405 53.507 52.037 0.108 0.000 0.636 735 A CB -1.206 17.800 19.000 0.009 0.000 0.847 735 A HN 0.292 nan 8.150 nan 0.000 0.451 736 F N 0.851 120.830 119.950 0.049 0.000 2.502 736 F HA 0.233 4.715 4.527 -0.074 0.000 0.371 736 F C 0.656 176.439 175.800 -0.028 0.000 1.083 736 F CA -0.621 57.365 58.000 -0.024 0.000 1.174 736 F CB -0.508 38.476 39.000 -0.026 0.000 1.096 736 F HN 0.288 nan 8.300 nan 0.000 0.545 737 N N 3.171 121.931 118.700 0.100 0.000 2.416 737 N HA 0.401 5.097 4.740 -0.073 0.000 0.271 737 N C -1.042 174.489 175.510 0.036 0.000 1.245 737 N CA 0.157 53.246 53.050 0.065 0.000 0.940 737 N CB 0.222 38.730 38.487 0.035 0.000 1.175 737 N HN 0.731 nan 8.380 nan 0.000 0.483 738 A N 3.214 126.028 122.820 -0.011 0.000 2.491 738 A HA 0.371 4.647 4.320 -0.073 0.000 0.293 738 A C -1.167 176.242 177.584 -0.290 0.000 1.047 738 A CA -0.957 50.987 52.037 -0.155 0.000 0.735 738 A CB 0.816 19.693 19.000 -0.205 0.000 1.281 738 A HN 0.756 nan 8.150 nan 0.000 0.398 739 D N 0.219 120.434 120.400 -0.308 0.000 2.592 739 D HA 0.617 5.213 4.640 -0.073 0.000 0.259 739 D C -0.824 175.173 176.300 -0.505 0.000 1.144 739 D CA -0.713 53.121 54.000 -0.276 0.000 1.080 739 D CB 0.824 41.583 40.800 -0.068 0.000 1.225 739 D HN 0.242 nan 8.370 nan 0.000 0.619 740 F N -0.279 119.653 119.950 -0.029 0.000 2.798 740 F HA 0.206 4.689 4.527 -0.073 0.000 0.333 740 F C 0.350 176.124 175.800 -0.044 0.000 1.324 740 F CA -0.636 57.336 58.000 -0.047 0.000 1.183 740 F CB 0.242 39.205 39.000 -0.061 0.000 1.132 740 F HN 0.276 nan 8.300 nan 0.000 0.521 741 D N -1.586 118.847 120.400 0.055 0.000 2.431 741 D HA 0.354 4.950 4.640 -0.073 0.000 0.213 741 D C 1.440 177.744 176.300 0.006 0.000 1.130 741 D CA 0.203 54.221 54.000 0.031 0.000 0.834 741 D CB 0.717 41.525 40.800 0.013 0.000 0.985 741 D HN 0.306 nan 8.370 nan 0.000 0.504 742 G N -0.149 108.647 108.800 -0.007 0.000 2.456 742 G HA2 -0.132 3.784 3.960 -0.073 0.000 0.208 742 G HA3 -0.132 3.784 3.960 -0.073 0.000 0.208 742 G C -0.566 174.307 174.900 -0.046 0.000 1.004 742 G CA -0.564 44.523 45.100 -0.021 0.000 0.791 742 G HN 0.206 nan 8.290 nan 0.000 0.537 743 D N 0.861 121.213 120.400 -0.079 0.000 2.357 743 D HA 0.375 4.971 4.640 -0.073 0.000 0.242 743 D C 0.297 176.540 176.300 -0.095 0.000 1.153 743 D CA 0.545 54.485 54.000 -0.099 0.000 0.918 743 D CB 0.922 41.629 40.800 -0.155 0.000 1.181 743 D HN 0.289 nan 8.370 nan 0.000 0.435 744 Q N 0.743 120.492 119.800 -0.085 0.000 2.375 744 Q HA 0.475 4.771 4.340 -0.073 0.000 0.271 744 Q C -0.652 175.292 176.000 -0.093 0.000 1.074 744 Q CA -0.678 55.076 55.803 -0.081 0.000 0.808 744 Q CB 2.896 31.598 28.738 -0.060 0.000 1.327 744 Q HN 0.344 nan 8.270 nan 0.000 0.441 745 M N 0.997 120.530 119.600 -0.110 0.000 2.753 745 M HA 0.731 5.167 4.480 -0.073 0.000 0.299 745 M C -1.442 174.802 176.300 -0.093 0.000 1.219 745 M CA -0.363 54.868 55.300 -0.115 0.000 0.900 745 M CB 1.992 34.478 32.600 -0.190 0.000 1.628 745 M HN 0.707 nan 8.290 nan 0.000 0.502 746 A N 1.087 123.860 122.820 -0.079 0.000 2.386 746 A HA 0.755 5.031 4.320 -0.073 0.000 0.311 746 A C -1.643 175.837 177.584 -0.174 0.000 1.068 746 A CA -0.742 51.214 52.037 -0.134 0.000 0.743 746 A CB 1.555 20.475 19.000 -0.132 0.000 1.258 746 A HN 0.717 nan 8.150 nan 0.000 0.429 747 V N 3.221 122.982 119.914 -0.255 0.000 2.547 747 V HA 0.611 4.687 4.120 -0.073 0.000 0.299 747 V C -1.052 174.808 176.094 -0.389 0.000 1.040 747 V CA -0.487 61.690 62.300 -0.205 0.000 0.913 747 V CB 1.471 33.227 31.823 -0.111 0.000 0.992 747 V HN 0.918 nan 8.190 nan 0.000 0.449 748 H N 4.453 123.518 119.070 -0.009 0.000 2.538 748 H HA 0.513 5.025 4.556 -0.073 0.000 0.353 748 H C -0.902 174.382 175.328 -0.074 0.000 1.109 748 H CA -0.350 55.681 56.048 -0.029 0.000 1.192 748 H CB 2.091 31.849 29.762 -0.006 0.000 1.555 748 H HN 0.551 nan 8.280 nan 0.000 0.518 749 V N 4.787 124.705 119.914 0.006 0.000 2.383 749 V HA 0.231 4.307 4.120 -0.073 0.000 0.275 749 V C -1.958 174.080 176.094 -0.094 0.000 1.036 749 V CA -1.615 60.594 62.300 -0.152 0.000 0.889 749 V CB 1.309 32.916 31.823 -0.361 0.000 0.985 749 V HN 0.609 nan 8.190 nan 0.000 0.459 750 P HA 0.357 nan 4.420 nan 0.000 0.262 750 P C 0.742 178.011 177.300 -0.051 0.000 1.620 750 P CA -0.332 62.739 63.100 -0.047 0.000 1.089 750 P CB 1.337 33.022 31.700 -0.025 0.000 1.601 751 L N 1.601 122.782 121.223 -0.070 0.000 1.955 751 L HA -0.129 4.167 4.340 -0.073 0.000 0.213 751 L C 1.571 178.516 176.870 0.125 0.000 1.072 751 L CA 1.361 56.215 54.840 0.024 0.000 0.755 751 L CB -0.808 41.207 42.059 -0.074 0.000 0.888 751 L HN 0.361 nan 8.230 nan 0.000 0.432 752 S N -0.598 115.150 115.700 0.080 0.000 2.593 752 S HA -0.142 4.284 4.470 -0.073 0.000 0.300 752 S C 1.412 176.092 174.600 0.133 0.000 1.267 752 S CA 0.466 58.734 58.200 0.114 0.000 1.065 752 S CB 0.905 64.179 63.200 0.123 0.000 0.807 752 S HN 0.289 nan 8.310 nan 0.000 0.499 753 S N 3.726 119.517 115.700 0.150 0.000 2.419 753 S HA -0.089 4.337 4.470 -0.073 0.000 0.233 753 S C 1.315 176.009 174.600 0.157 0.000 1.016 753 S CA 1.237 59.520 58.200 0.139 0.000 0.974 753 S CB -0.504 62.776 63.200 0.132 0.000 0.786 753 S HN 0.780 nan 8.310 nan 0.000 0.492 754 F N 2.063 122.020 119.950 0.012 0.000 2.074 754 F HA 0.149 4.632 4.527 -0.073 0.000 0.293 754 F C 2.348 178.143 175.800 -0.008 0.000 1.116 754 F CA 0.935 58.933 58.000 -0.003 0.000 1.212 754 F CB -1.209 37.785 39.000 -0.011 0.000 0.998 754 F HN 0.223 nan 8.300 nan 0.000 0.471 755 A N 0.030 122.918 122.820 0.113 0.000 1.842 755 A HA -0.353 3.923 4.320 -0.073 0.000 0.217 755 A C 2.111 179.663 177.584 -0.054 0.000 1.206 755 A CA 2.282 54.319 52.037 -0.000 0.000 0.630 755 A CB -1.439 17.582 19.000 0.034 0.000 0.839 755 A HN 0.507 nan 8.150 nan 0.000 0.447 756 Q N -0.217 119.574 119.800 -0.014 0.000 2.156 756 Q HA -0.213 4.083 4.340 -0.073 0.000 0.211 756 Q C 1.978 177.943 176.000 -0.058 0.000 0.995 756 Q CA 2.911 58.699 55.803 -0.025 0.000 0.877 756 Q CB -0.702 28.038 28.738 0.003 0.000 0.920 756 Q HN 0.632 nan 8.270 nan 0.000 0.416 757 A N 0.809 123.582 122.820 -0.080 0.000 1.865 757 A HA -0.302 3.974 4.320 -0.073 0.000 0.217 757 A C 1.994 179.471 177.584 -0.180 0.000 1.191 757 A CA 2.135 54.095 52.037 -0.128 0.000 0.623 757 A CB -1.033 17.867 19.000 -0.166 0.000 0.826 757 A HN 0.769 nan 8.150 nan 0.000 0.444 758 E N -0.054 119.985 120.200 -0.268 0.000 2.028 758 E HA -0.066 4.240 4.350 -0.073 0.000 0.191 758 E C 2.136 178.660 176.600 -0.127 0.000 0.988 758 E CA 1.202 57.463 56.400 -0.232 0.000 0.799 758 E CB -0.689 28.841 29.700 -0.283 0.000 0.755 758 E HN 0.447 nan 8.360 nan 0.000 0.447 759 A N 2.583 125.338 122.820 -0.109 0.000 1.909 759 A HA -0.282 3.994 4.320 -0.073 0.000 0.221 759 A C 2.296 179.833 177.584 -0.077 0.000 1.223 759 A CA 2.557 54.544 52.037 -0.083 0.000 0.658 759 A CB -0.958 18.000 19.000 -0.069 0.000 0.831 759 A HN 0.501 nan 8.150 nan 0.000 0.462 760 R N -1.092 119.371 120.500 -0.062 0.000 2.547 760 R HA 0.532 4.828 4.340 -0.073 0.000 0.258 760 R C 0.693 177.014 176.300 0.035 0.000 1.115 760 R CA 0.587 56.664 56.100 -0.038 0.000 1.152 760 R CB -0.274 30.008 30.300 -0.031 0.000 1.221 760 R HN 0.547 nan 8.270 nan 0.000 0.539 761 I N -0.403 120.192 120.570 0.041 0.000 3.814 761 I HA -0.076 4.050 4.170 -0.073 0.000 0.264 761 I C 1.509 177.711 176.117 0.142 0.000 1.145 761 I CA -0.057 61.298 61.300 0.090 0.000 1.375 761 I CB 0.546 38.532 38.000 -0.023 0.000 1.638 761 I HN 0.186 nan 8.210 nan 0.000 0.432 762 Q N 0.379 120.201 119.800 0.038 0.000 2.319 762 Q HA 0.221 4.517 4.340 -0.073 0.000 0.209 762 Q C 1.520 177.531 176.000 0.019 0.000 0.884 762 Q CA 0.319 56.137 55.803 0.025 0.000 0.938 762 Q CB 0.750 29.469 28.738 -0.033 0.000 1.098 762 Q HN 0.441 nan 8.270 nan 0.000 0.517 763 M N 0.659 120.251 119.600 -0.013 0.000 2.300 763 M HA 0.334 4.770 4.480 -0.073 0.000 0.313 763 M C -0.708 175.500 176.300 -0.153 0.000 0.988 763 M CA -0.484 54.775 55.300 -0.068 0.000 1.012 763 M CB 1.120 33.674 32.600 -0.077 0.000 1.586 763 M HN 0.279 nan 8.290 nan 0.000 0.562 764 L N 1.909 123.018 121.223 -0.189 0.000 2.433 764 L HA 0.246 4.542 4.340 -0.073 0.000 0.284 764 L C 1.291 177.906 176.870 -0.424 0.000 1.120 764 L CA 0.439 55.049 54.840 -0.383 0.000 0.879 764 L CB 0.453 42.232 42.059 -0.467 0.000 1.232 764 L HN 0.541 nan 8.230 nan 0.000 0.454 765 S N 4.384 119.825 115.700 -0.432 0.000 2.331 765 S HA -0.463 3.963 4.470 -0.073 0.000 0.358 765 S C 1.747 176.249 174.600 -0.162 0.000 1.150 765 S CA 1.935 59.991 58.200 -0.241 0.000 1.766 765 S CB -1.466 61.644 63.200 -0.150 0.000 1.490 765 S HN 1.236 nan 8.310 nan 0.000 0.490 766 A N 1.024 123.729 122.820 -0.191 0.000 2.340 766 A HA -0.160 4.116 4.320 -0.073 0.000 0.213 766 A C 1.527 179.106 177.584 -0.009 0.000 1.227 766 A CA 1.897 53.852 52.037 -0.136 0.000 0.707 766 A CB -0.968 17.949 19.000 -0.138 0.000 0.768 766 A HN 0.880 nan 8.150 nan 0.000 0.508 767 H N -1.565 117.461 119.070 -0.073 0.000 3.170 767 H HA 0.181 4.693 4.556 -0.074 0.000 0.264 767 H C 0.162 175.464 175.328 -0.043 0.000 1.113 767 H CA -0.150 55.855 56.048 -0.072 0.000 1.194 767 H CB 0.290 30.014 29.762 -0.063 0.000 1.553 767 H HN 0.513 nan 8.280 nan 0.000 0.538 768 N N 1.519 120.261 118.700 0.070 0.000 2.610 768 N HA 0.134 4.830 4.740 -0.073 0.000 0.309 768 N C 0.791 176.334 175.510 0.055 0.000 1.536 768 N CA 0.068 53.152 53.050 0.057 0.000 0.954 768 N CB 1.094 39.594 38.487 0.022 0.000 1.310 768 N HN 0.186 nan 8.380 nan 0.000 0.502 769 L N -0.381 120.877 121.223 0.058 0.000 2.275 769 L HA 0.050 4.346 4.340 -0.073 0.000 0.215 769 L C 0.788 177.732 176.870 0.123 0.000 1.119 769 L CA 1.076 55.956 54.840 0.066 0.000 0.790 769 L CB -0.137 41.921 42.059 -0.001 0.000 0.919 769 L HN 0.174 nan 8.230 nan 0.000 0.443 770 L N -1.490 119.832 121.223 0.166 0.000 2.332 770 L HA 0.330 4.626 4.340 -0.073 0.000 0.269 770 L C 0.443 177.343 176.870 0.049 0.000 1.016 770 L CA -0.500 54.411 54.840 0.118 0.000 0.809 770 L CB 1.713 43.853 42.059 0.135 0.000 1.280 770 L HN -0.198 nan 8.230 nan 0.000 0.447 771 S N 0.740 116.447 115.700 0.012 0.000 2.481 771 S HA 0.226 4.652 4.470 -0.073 0.000 0.276 771 S C -1.819 172.784 174.600 0.005 0.000 1.247 771 S CA -1.124 57.065 58.200 -0.019 0.000 1.053 771 S CB 0.818 64.004 63.200 -0.022 0.000 0.925 771 S HN 0.332 nan 8.310 nan 0.000 0.491 772 P HA 0.136 nan 4.420 nan 0.000 0.237 772 P C 0.648 178.051 177.300 0.171 0.000 1.178 772 P CA 0.398 63.532 63.100 0.056 0.000 0.766 772 P CB 0.177 31.887 31.700 0.016 0.000 0.876 773 A N -1.117 121.759 122.820 0.093 0.000 2.044 773 A HA 0.253 4.529 4.320 -0.073 0.000 0.213 773 A C 0.869 178.615 177.584 0.271 0.000 1.169 773 A CA 0.948 53.092 52.037 0.179 0.000 0.724 773 A CB -0.140 18.863 19.000 0.005 0.000 0.840 773 A HN 0.285 nan 8.150 nan 0.000 0.463 774 S N -4.100 111.688 115.700 0.148 0.000 2.567 774 S HA 0.493 4.919 4.470 -0.073 0.000 0.270 774 S C 0.981 175.640 174.600 0.099 0.000 1.152 774 S CA 0.020 58.304 58.200 0.140 0.000 0.835 774 S CB 0.739 64.011 63.200 0.121 0.000 1.115 774 S HN 0.903 nan 8.310 nan 0.000 0.459 775 G N 1.452 110.366 108.800 0.191 0.000 2.649 775 G HA2 -0.176 3.740 3.960 -0.073 0.000 0.220 775 G HA3 -0.176 3.740 3.960 -0.073 0.000 0.220 775 G C 0.338 175.202 174.900 -0.060 0.000 1.189 775 G CA 1.175 46.420 45.100 0.241 0.000 0.777 775 G HN 0.963 nan 8.290 nan 0.000 0.602 776 E N 1.779 121.957 120.200 -0.035 0.000 2.975 776 E HA -0.041 4.265 4.350 -0.073 0.000 0.269 776 E C -2.302 174.278 176.600 -0.033 0.000 0.905 776 E CA -0.370 56.003 56.400 -0.045 0.000 0.967 776 E CB -0.294 29.419 29.700 0.022 0.000 0.925 776 E HN 0.226 nan 8.360 nan 0.000 0.507 777 P HA 0.044 nan 4.420 nan 0.000 0.275 777 P C 0.419 177.760 177.300 0.068 0.000 1.228 777 P CA -0.416 62.722 63.100 0.063 0.000 0.786 777 P CB 0.593 32.370 31.700 0.130 0.000 0.927 778 L N 2.564 123.829 121.223 0.070 0.000 2.200 778 L HA 0.236 4.532 4.340 -0.073 0.000 0.200 778 L C 1.038 177.963 176.870 0.092 0.000 1.072 778 L CA 1.089 55.970 54.840 0.068 0.000 0.787 778 L CB -1.259 40.830 42.059 0.049 0.000 0.957 778 L HN 0.319 nan 8.230 nan 0.000 0.459 779 A N 1.300 124.176 122.820 0.093 0.000 2.376 779 A HA 0.462 4.738 4.320 -0.073 0.000 0.298 779 A C 0.022 177.669 177.584 0.105 0.000 1.271 779 A CA -0.177 51.921 52.037 0.102 0.000 0.926 779 A CB -0.575 18.470 19.000 0.075 0.000 1.141 779 A HN 0.332 nan 8.150 nan 0.000 0.539 780 K N 2.343 122.813 120.400 0.117 0.000 2.536 780 K HA 0.646 4.922 4.320 -0.073 0.000 0.269 780 K C -3.307 173.363 176.600 0.116 0.000 0.965 780 K CA -2.064 54.291 56.287 0.114 0.000 0.860 780 K CB 1.338 33.905 32.500 0.112 0.000 1.423 780 K HN 0.171 nan 8.250 nan 0.000 0.438 781 P HA 0.021 nan 4.420 nan 0.000 0.260 781 P C -0.926 176.436 177.300 0.103 0.000 1.185 781 P CA 0.427 63.583 63.100 0.092 0.000 0.763 781 P CB 0.785 32.544 31.700 0.098 0.000 0.776 782 S N 2.470 118.238 115.700 0.113 0.000 2.748 782 S HA 0.366 4.792 4.470 -0.073 0.000 0.299 782 S C 1.226 175.904 174.600 0.130 0.000 1.119 782 S CA -0.816 57.459 58.200 0.126 0.000 0.997 782 S CB 0.781 64.074 63.200 0.155 0.000 1.223 782 S HN 0.395 nan 8.310 nan 0.000 0.541 783 R N 1.118 121.693 120.500 0.126 0.000 2.572 783 R HA -0.291 4.005 4.340 -0.073 0.000 0.187 783 R C 1.216 177.593 176.300 0.130 0.000 0.912 783 R CA 2.411 58.580 56.100 0.115 0.000 0.473 783 R CB -1.714 28.659 30.300 0.122 0.000 0.727 783 R HN 0.583 nan 8.270 nan 0.000 0.296 784 D N 0.447 120.955 120.400 0.179 0.000 2.106 784 D HA -0.104 4.492 4.640 -0.073 0.000 0.191 784 D C 2.048 178.475 176.300 0.211 0.000 0.997 784 D CA 1.397 55.520 54.000 0.205 0.000 0.834 784 D CB -0.439 40.526 40.800 0.276 0.000 0.956 784 D HN 0.317 nan 8.370 nan 0.000 0.448 785 I N 0.649 121.338 120.570 0.198 0.000 2.113 785 I HA -0.346 3.780 4.170 -0.073 0.000 0.242 785 I C 2.360 178.546 176.117 0.114 0.000 1.057 785 I CA 1.132 62.454 61.300 0.036 0.000 1.314 785 I CB -0.287 37.647 38.000 -0.110 0.000 1.022 785 I HN 0.043 nan 8.210 nan 0.000 0.408 786 I N -0.226 120.420 120.570 0.126 0.000 2.091 786 I HA -0.364 3.762 4.170 -0.073 0.000 0.239 786 I C 2.528 178.767 176.117 0.202 0.000 1.061 786 I CA 1.288 62.679 61.300 0.153 0.000 1.317 786 I CB -0.475 37.583 38.000 0.097 0.000 1.031 786 I HN 0.244 nan 8.210 nan 0.000 0.401 787 L N 1.234 122.552 121.223 0.158 0.000 2.082 787 L HA -0.259 4.037 4.340 -0.073 0.000 0.223 787 L C 2.228 179.273 176.870 0.292 0.000 1.086 787 L CA 2.506 57.454 54.840 0.179 0.000 0.793 787 L CB -1.381 40.754 42.059 0.126 0.000 0.896 787 L HN 0.321 nan 8.230 nan 0.000 0.441 788 G N -1.227 107.745 108.800 0.287 0.000 2.454 788 G HA2 -0.195 3.721 3.960 -0.073 0.000 0.214 788 G HA3 -0.195 3.721 3.960 -0.073 0.000 0.214 788 G C 1.564 176.738 174.900 0.456 0.000 1.217 788 G CA 0.722 46.049 45.100 0.378 0.000 0.799 788 G HN 0.429 nan 8.290 nan 0.000 0.538 789 L N -0.710 120.764 121.223 0.418 0.000 2.189 789 L HA -0.137 4.159 4.340 -0.073 0.000 0.214 789 L C 2.565 179.650 176.870 0.359 0.000 1.097 789 L CA 1.172 56.282 54.840 0.449 0.000 0.764 789 L CB -0.385 41.948 42.059 0.458 0.000 0.900 789 L HN 0.353 nan 8.230 nan 0.000 0.436 790 Y N -0.856 119.571 120.300 0.212 0.000 2.206 790 Y HA -0.297 4.220 4.550 -0.054 0.000 0.292 790 Y C 2.664 178.660 175.900 0.160 0.000 1.123 790 Y CA 1.367 59.554 58.100 0.146 0.000 1.142 790 Y CB -0.334 38.202 38.460 0.127 0.000 1.006 790 Y HN 0.028 nan 8.280 nan 0.000 0.518 791 Y N 1.024 121.482 120.300 0.263 0.000 2.114 791 Y HA -0.344 4.194 4.550 -0.020 0.000 0.282 791 Y C 2.523 178.412 175.900 -0.018 0.000 1.165 791 Y CA 2.148 60.325 58.100 0.128 0.000 1.148 791 Y CB -0.746 37.784 38.460 0.117 0.000 0.972 791 Y HN 0.372 nan 8.280 nan 0.000 0.504 792 I N -0.421 120.136 120.570 -0.021 0.000 2.179 792 I HA -0.147 3.979 4.170 -0.073 0.000 0.242 792 I C 0.658 176.660 176.117 -0.191 0.000 1.088 792 I CA 1.838 63.002 61.300 -0.226 0.000 1.357 792 I CB -0.642 37.152 38.000 -0.344 0.000 1.051 792 I HN 0.361 nan 8.210 nan 0.000 0.409 793 T N 1.183 115.675 114.554 -0.103 0.000 3.005 793 T HA 0.485 4.791 4.350 -0.073 0.000 0.323 793 T C -0.250 174.307 174.700 -0.239 0.000 1.131 793 T CA -0.555 61.460 62.100 -0.141 0.000 0.977 793 T CB 1.059 69.850 68.868 -0.128 0.000 1.055 793 T HN 0.476 nan 8.240 nan 0.000 0.562 794 Q N 1.761 121.438 119.800 -0.206 0.000 2.804 794 Q HA 0.528 4.824 4.340 -0.073 0.000 0.302 794 Q C -1.636 174.326 176.000 -0.065 0.000 0.885 794 Q CA -0.625 55.067 55.803 -0.185 0.000 0.759 794 Q CB 2.386 31.010 28.738 -0.189 0.000 1.465 794 Q HN 0.554 nan 8.270 nan 0.000 0.432 795 V N 0.508 120.413 119.914 -0.016 0.000 3.156 795 V HA 0.719 4.795 4.120 -0.073 0.000 0.311 795 V C -0.295 175.855 176.094 0.094 0.000 1.208 795 V CA -0.848 61.471 62.300 0.032 0.000 1.063 795 V CB 2.283 34.093 31.823 -0.021 0.000 1.098 795 V HN 0.849 nan 8.190 nan 0.000 0.452 796 R N 0.674 121.236 120.500 0.104 0.000 2.950 796 R HA 0.873 5.169 4.340 -0.073 0.000 0.253 796 R C -1.776 174.549 176.300 0.041 0.000 1.168 796 R CA -1.100 55.072 56.100 0.119 0.000 1.014 796 R CB 1.941 32.425 30.300 0.308 0.000 1.228 796 R HN 0.646 nan 8.270 nan 0.000 0.487 797 K N -0.162 120.263 120.400 0.041 0.000 2.561 797 K HA 0.301 4.577 4.320 -0.073 0.000 0.254 797 K C -1.475 175.154 176.600 0.049 0.000 0.942 797 K CA -0.600 55.705 56.287 0.029 0.000 0.818 797 K CB 2.839 35.337 32.500 -0.003 0.000 1.306 797 K HN 0.678 nan 8.250 nan 0.000 0.435 798 E N 1.392 121.621 120.200 0.048 0.000 2.450 798 E HA 0.249 4.555 4.350 -0.073 0.000 0.272 798 E C -1.162 175.460 176.600 0.037 0.000 0.967 798 E CA -1.048 55.384 56.400 0.053 0.000 0.818 798 E CB 1.545 31.282 29.700 0.062 0.000 1.401 798 E HN 0.466 nan 8.360 nan 0.000 0.450 799 K N 2.070 122.492 120.400 0.036 0.000 2.490 799 K HA -0.195 4.081 4.320 -0.073 0.000 0.264 799 K C -0.846 175.764 176.600 0.017 0.000 1.027 799 K CA 1.043 57.345 56.287 0.025 0.000 1.139 799 K CB 0.278 32.792 32.500 0.023 0.000 0.792 799 K HN 0.327 nan 8.250 nan 0.000 0.479 800 K N 4.001 124.410 120.400 0.014 0.000 2.404 800 K HA 0.192 4.468 4.320 -0.073 0.000 0.257 800 K C 0.257 176.861 176.600 0.008 0.000 1.026 800 K CA -0.378 55.917 56.287 0.014 0.000 0.951 800 K CB 1.146 33.656 32.500 0.017 0.000 1.203 800 K HN 0.818 nan 8.250 nan 0.000 0.446 801 G N 2.446 111.246 108.800 -0.001 0.000 2.992 801 G HA2 0.245 4.161 3.960 -0.073 0.000 0.195 801 G HA3 0.245 4.161 3.960 -0.073 0.000 0.195 801 G C -0.186 174.712 174.900 -0.003 0.000 2.032 801 G CA -0.054 45.042 45.100 -0.007 0.000 0.831 801 G HN 0.670 nan 8.290 nan 0.000 0.647 802 A N -0.013 122.796 122.820 -0.018 0.000 2.520 802 A HA 0.497 4.773 4.320 -0.073 0.000 0.235 802 A C 1.035 178.644 177.584 0.042 0.000 1.065 802 A CA 0.445 52.482 52.037 -0.000 0.000 0.764 802 A CB -0.353 18.625 19.000 -0.036 0.000 1.002 802 A HN 1.240 nan 8.150 nan 0.000 0.502 803 G N 0.694 109.532 108.800 0.064 0.000 2.298 803 G HA2 0.464 4.380 3.960 -0.073 0.000 0.263 803 G HA3 0.464 4.380 3.960 -0.073 0.000 0.263 803 G C -0.042 174.951 174.900 0.154 0.000 1.229 803 G CA 0.078 45.228 45.100 0.084 0.000 0.976 803 G HN 1.459 nan 8.290 nan 0.000 0.459 804 L N 0.380 121.695 121.223 0.153 0.000 2.366 804 L HA 0.633 4.929 4.340 -0.073 0.000 0.266 804 L C -0.374 176.571 176.870 0.126 0.000 1.010 804 L CA -0.795 54.169 54.840 0.207 0.000 0.879 804 L CB 1.641 43.858 42.059 0.263 0.000 1.228 804 L HN 0.183 nan 8.230 nan 0.000 0.439 805 E N 3.025 123.281 120.200 0.093 0.000 3.588 805 E HA 0.088 4.394 4.350 -0.073 0.000 0.213 805 E C 0.252 176.880 176.600 0.046 0.000 1.168 805 E CA -0.290 56.145 56.400 0.058 0.000 1.254 805 E CB 0.675 30.390 29.700 0.026 0.000 1.302 805 E HN 0.746 nan 8.360 nan 0.000 0.429 806 F N 2.539 122.447 119.950 -0.070 0.000 2.171 806 F HA -0.171 4.312 4.527 -0.074 0.000 0.300 806 F C 2.057 177.815 175.800 -0.070 0.000 1.090 806 F CA 1.426 59.364 58.000 -0.104 0.000 1.293 806 F CB -0.049 38.879 39.000 -0.121 0.000 1.013 806 F HN 0.339 nan 8.300 nan 0.000 0.486 807 A N -0.155 122.478 122.820 -0.311 0.000 2.054 807 A HA -0.388 3.888 4.320 -0.073 0.000 0.225 807 A C 2.090 179.376 177.584 -0.497 0.000 1.209 807 A CA 2.998 54.812 52.037 -0.371 0.000 0.678 807 A CB -1.631 17.277 19.000 -0.154 0.000 0.823 807 A HN 0.568 nan 8.150 nan 0.000 0.484 808 T N -1.889 112.400 114.554 -0.442 0.000 3.207 808 T HA 0.249 4.555 4.350 -0.073 0.000 0.229 808 T C -0.995 173.472 174.700 -0.388 0.000 0.999 808 T CA 0.153 62.053 62.100 -0.333 0.000 1.386 808 T CB -1.805 66.954 68.868 -0.181 0.000 1.130 808 T HN 0.326 nan 8.240 nan 0.000 0.435 809 P HA 0.133 nan 4.420 nan 0.000 0.271 809 P C 0.368 177.641 177.300 -0.045 0.000 1.228 809 P CA 0.182 63.205 63.100 -0.129 0.000 0.797 809 P CB 0.566 32.258 31.700 -0.013 0.000 0.914 810 E N 0.087 120.341 120.200 0.089 0.000 2.228 810 E HA -0.030 4.276 4.350 -0.073 0.000 0.197 810 E C 1.157 177.870 176.600 0.187 0.000 0.909 810 E CA 0.308 56.814 56.400 0.176 0.000 0.911 810 E CB -0.072 29.673 29.700 0.075 0.000 0.887 810 E HN 0.543 nan 8.360 nan 0.000 0.481 811 E N 1.076 121.340 120.200 0.106 0.000 2.516 811 E HA -0.001 4.305 4.350 -0.073 0.000 0.199 811 E C 1.101 177.734 176.600 0.056 0.000 1.069 811 E CA 0.280 56.720 56.400 0.066 0.000 0.876 811 E CB 0.151 29.878 29.700 0.046 0.000 0.843 811 E HN 0.124 nan 8.360 nan 0.000 0.530 812 A N 0.701 123.591 122.820 0.117 0.000 2.370 812 A HA 0.131 4.407 4.320 -0.073 0.000 0.238 812 A C 1.605 178.981 177.584 -0.347 0.000 1.289 812 A CA 0.050 52.069 52.037 -0.030 0.000 0.885 812 A CB -0.153 18.964 19.000 0.195 0.000 0.961 812 A HN 0.246 nan 8.150 nan 0.000 0.499 813 L N -4.069 116.985 121.223 -0.282 0.000 2.614 813 L HA 0.630 4.926 4.340 -0.073 0.000 0.185 813 L C 2.099 178.830 176.870 -0.232 0.000 1.098 813 L CA 1.315 55.809 54.840 -0.577 0.000 0.852 813 L CB -0.935 40.893 42.059 -0.385 0.000 1.213 813 L HN -0.026 nan 8.230 nan 0.000 0.491 814 A N 0.853 123.615 122.820 -0.096 0.000 1.877 814 A HA 0.024 4.300 4.320 -0.073 0.000 0.216 814 A C 2.464 180.039 177.584 -0.015 0.000 1.186 814 A CA 2.472 54.482 52.037 -0.045 0.000 0.620 814 A CB -1.341 17.651 19.000 -0.013 0.000 0.822 814 A HN 0.686 nan 8.150 nan 0.000 0.443 815 A N -1.394 121.442 122.820 0.026 0.000 1.933 815 A HA -0.146 4.130 4.320 -0.073 0.000 0.218 815 A C 1.964 179.616 177.584 0.113 0.000 1.175 815 A CA 1.916 54.000 52.037 0.078 0.000 0.628 815 A CB -0.757 18.320 19.000 0.128 0.000 0.814 815 A HN 0.626 nan 8.150 nan 0.000 0.444 816 H N -0.532 118.479 119.070 -0.098 0.000 2.548 816 H HA 0.142 4.653 4.556 -0.075 0.000 0.268 816 H C 1.801 177.054 175.328 -0.126 0.000 0.975 816 H CA 1.051 57.033 56.048 -0.111 0.000 1.195 816 H CB 0.127 29.797 29.762 -0.154 0.000 1.397 816 H HN 0.657 nan 8.280 nan 0.000 0.572 817 E N 0.066 120.250 120.200 -0.026 0.000 2.170 817 E HA -0.030 4.276 4.350 -0.073 0.000 0.191 817 E C 1.845 178.412 176.600 -0.055 0.000 0.981 817 E CA 0.304 56.661 56.400 -0.071 0.000 0.830 817 E CB 0.274 29.918 29.700 -0.094 0.000 0.775 817 E HN 0.438 nan 8.360 nan 0.000 0.470 818 R N 0.125 120.602 120.500 -0.038 0.000 2.075 818 R HA 0.014 4.310 4.340 -0.073 0.000 0.226 818 R C 2.466 178.741 176.300 -0.042 0.000 1.114 818 R CA 1.061 57.141 56.100 -0.033 0.000 0.972 818 R CB -0.406 29.881 30.300 -0.021 0.000 0.869 818 R HN 0.098 nan 8.270 nan 0.000 0.437 819 G N 1.350 110.115 108.800 -0.059 0.000 2.470 819 G HA2 -0.259 3.657 3.960 -0.073 0.000 0.220 819 G HA3 -0.259 3.657 3.960 -0.073 0.000 0.220 819 G C 1.338 176.190 174.900 -0.081 0.000 1.121 819 G CA 0.253 45.300 45.100 -0.088 0.000 0.766 819 G HN 0.228 nan 8.290 nan 0.000 0.553 820 E N 0.588 120.747 120.200 -0.069 0.000 2.112 820 E HA -0.053 4.253 4.350 -0.073 0.000 0.190 820 E C 2.346 178.925 176.600 -0.035 0.000 0.979 820 E CA 0.602 56.970 56.400 -0.053 0.000 0.814 820 E CB -0.028 29.638 29.700 -0.056 0.000 0.762 820 E HN 0.285 nan 8.360 nan 0.000 0.460 821 V N 0.968 120.862 119.914 -0.035 0.000 3.510 821 V HA 0.068 4.144 4.120 -0.073 0.000 0.270 821 V C 1.211 177.294 176.094 -0.018 0.000 1.201 821 V CA 0.694 62.982 62.300 -0.021 0.000 1.166 821 V CB -0.623 31.188 31.823 -0.020 0.000 0.825 821 V HN 0.214 nan 8.190 nan 0.000 0.484 822 A N -0.018 122.786 122.820 -0.028 0.000 3.687 822 A HA 0.763 5.039 4.320 -0.073 0.000 0.164 822 A C 0.243 177.813 177.584 -0.023 0.000 1.564 822 A CA -0.423 51.597 52.037 -0.027 0.000 0.896 822 A CB 0.611 19.587 19.000 -0.039 0.000 1.731 822 A HN 0.235 nan 8.150 nan 0.000 0.607 823 L N 0.393 121.600 121.223 -0.026 0.000 3.168 823 L HA 0.330 4.626 4.340 -0.073 0.000 0.277 823 L C 0.171 177.026 176.870 -0.026 0.000 1.308 823 L CA -0.049 54.780 54.840 -0.019 0.000 0.976 823 L CB -0.150 41.902 42.059 -0.011 0.000 1.383 823 L HN 0.620 nan 8.230 nan 0.000 0.572 824 N N 0.279 118.954 118.700 -0.042 0.000 2.441 824 N HA 0.173 4.869 4.740 -0.073 0.000 0.257 824 N C 0.596 176.071 175.510 -0.058 0.000 1.058 824 N CA 0.117 53.135 53.050 -0.053 0.000 0.853 824 N CB 0.848 39.287 38.487 -0.079 0.000 1.694 824 N HN 0.125 nan 8.380 nan 0.000 0.542 825 A N 3.440 126.211 122.820 -0.082 0.000 2.478 825 A HA 0.538 4.814 4.320 -0.073 0.000 0.327 825 A C -2.195 175.371 177.584 -0.030 0.000 1.431 825 A CA -1.146 50.850 52.037 -0.069 0.000 1.014 825 A CB 0.369 19.296 19.000 -0.122 0.000 1.143 825 A HN 0.004 nan 8.150 nan 0.000 0.532 826 P HA 0.131 nan 4.420 nan 0.000 0.313 826 P C 0.783 178.093 177.300 0.016 0.000 1.332 826 P CA -0.006 63.102 63.100 0.013 0.000 0.777 826 P CB 0.422 32.138 31.700 0.027 0.000 1.599 827 I N -1.828 118.764 120.570 0.037 0.000 4.312 827 I HA 0.078 4.204 4.170 -0.073 0.000 0.324 827 I C 0.957 177.102 176.117 0.047 0.000 1.298 827 I CA 0.253 61.580 61.300 0.045 0.000 1.231 827 I CB -0.062 37.992 38.000 0.089 0.000 1.152 827 I HN 0.114 nan 8.210 nan 0.000 0.421 828 K N 2.433 122.863 120.400 0.050 0.000 2.965 828 K HA 0.380 4.656 4.320 -0.073 0.000 0.216 828 K C -0.296 176.329 176.600 0.041 0.000 1.164 828 K CA -0.093 56.224 56.287 0.049 0.000 1.153 828 K CB -0.116 32.423 32.500 0.066 0.000 1.045 828 K HN 0.030 nan 8.250 nan 0.000 0.460 829 V N 0.165 120.101 119.914 0.036 0.000 2.785 829 V HA 0.421 4.497 4.120 -0.073 0.000 0.300 829 V C 0.731 176.848 176.094 0.038 0.000 1.062 829 V CA -1.204 61.117 62.300 0.035 0.000 1.029 829 V CB 1.180 33.023 31.823 0.033 0.000 1.024 829 V HN 0.398 nan 8.190 nan 0.000 0.477 830 A N 2.526 125.369 122.820 0.038 0.000 2.618 830 A HA 0.493 4.769 4.320 -0.073 0.000 0.293 830 A C 0.788 178.405 177.584 0.055 0.000 1.413 830 A CA 0.547 52.608 52.037 0.039 0.000 1.074 830 A CB -1.121 17.899 19.000 0.034 0.000 1.087 830 A HN 1.327 nan 8.150 nan 0.000 0.553 831 G N 2.173 111.006 108.800 0.055 0.000 2.866 831 G HA2 0.404 4.320 3.960 -0.073 0.000 0.318 831 G HA3 0.404 4.320 3.960 -0.073 0.000 0.318 831 G C 0.657 175.593 174.900 0.059 0.000 1.336 831 G CA -0.534 44.611 45.100 0.075 0.000 1.067 831 G HN 0.648 nan 8.290 nan 0.000 0.515 832 R N 1.873 122.402 120.500 0.049 0.000 2.148 832 R HA -0.197 4.099 4.340 -0.073 0.000 0.230 832 R C 2.069 178.387 176.300 0.030 0.000 1.120 832 R CA 2.477 58.596 56.100 0.031 0.000 0.902 832 R CB -0.451 29.861 30.300 0.020 0.000 0.839 832 R HN 0.583 nan 8.270 nan 0.000 0.431 833 E N -1.121 119.097 120.200 0.030 0.000 2.208 833 E HA -0.042 4.264 4.350 -0.073 0.000 0.193 833 E C -0.704 175.930 176.600 0.057 0.000 0.988 833 E CA 1.301 57.717 56.400 0.025 0.000 0.828 833 E CB 0.247 29.943 29.700 -0.006 0.000 0.763 833 E HN 0.544 nan 8.360 nan 0.000 0.478 834 T N -1.909 112.701 114.554 0.093 0.000 3.128 834 T HA 0.196 4.502 4.350 -0.073 0.000 0.363 834 T C -1.031 173.728 174.700 0.098 0.000 1.610 834 T CA -0.928 61.233 62.100 0.102 0.000 1.126 834 T CB 1.378 70.335 68.868 0.149 0.000 1.416 834 T HN -0.053 nan 8.240 nan 0.000 0.480 835 S N 0.600 116.331 115.700 0.052 0.000 2.472 835 S HA 0.480 4.906 4.470 -0.073 0.000 0.303 835 S C 1.552 176.149 174.600 -0.005 0.000 1.099 835 S CA -0.134 58.086 58.200 0.034 0.000 1.077 835 S CB 1.574 64.792 63.200 0.031 0.000 1.031 835 S HN 1.331 nan 8.310 nan 0.000 0.487 836 V N 5.957 125.851 119.914 -0.032 0.000 2.409 836 V HA -0.201 3.875 4.120 -0.073 0.000 0.261 836 V C 1.932 177.971 176.094 -0.092 0.000 1.099 836 V CA 3.095 65.343 62.300 -0.087 0.000 1.100 836 V CB -1.258 30.519 31.823 -0.076 0.000 0.677 836 V HN 1.022 nan 8.190 nan 0.000 0.460 837 G N -0.292 108.485 108.800 -0.040 0.000 2.459 837 G HA2 -0.270 3.646 3.960 -0.073 0.000 0.217 837 G HA3 -0.270 3.646 3.960 -0.073 0.000 0.217 837 G C 1.602 176.480 174.900 -0.037 0.000 1.183 837 G CA 0.813 45.905 45.100 -0.013 0.000 0.776 837 G HN 0.539 nan 8.290 nan 0.000 0.552 838 R N -0.110 120.374 120.500 -0.026 0.000 2.261 838 R HA -0.001 4.295 4.340 -0.073 0.000 0.236 838 R C 2.334 178.598 176.300 -0.059 0.000 1.141 838 R CA 0.685 56.763 56.100 -0.035 0.000 1.001 838 R CB -0.322 29.974 30.300 -0.007 0.000 0.866 838 R HN 0.407 nan 8.270 nan 0.000 0.468 839 L N -0.169 121.002 121.223 -0.087 0.000 2.185 839 L HA -0.008 4.288 4.340 -0.073 0.000 0.198 839 L C 2.484 179.265 176.870 -0.148 0.000 1.079 839 L CA 0.550 55.330 54.840 -0.100 0.000 0.780 839 L CB -0.618 41.365 42.059 -0.127 0.000 0.955 839 L HN 0.001 nan 8.230 nan 0.000 0.462 840 K N 0.785 121.035 120.400 -0.250 0.000 2.001 840 K HA -0.208 4.068 4.320 -0.073 0.000 0.223 840 K C -0.048 176.346 176.600 -0.343 0.000 1.055 840 K CA 1.666 57.710 56.287 -0.405 0.000 0.965 840 K CB -0.404 31.632 32.500 -0.774 0.000 0.730 840 K HN 0.117 nan 8.250 nan 0.000 0.449 841 Y N 0.395 120.666 120.300 -0.049 0.000 2.313 841 Y HA 0.450 4.966 4.550 -0.056 0.000 0.332 841 Y C -0.574 175.099 175.900 -0.378 0.000 1.071 841 Y CA -1.313 56.728 58.100 -0.098 0.000 1.169 841 Y CB 1.675 40.082 38.460 -0.089 0.000 1.192 841 Y HN -0.220 nan 8.280 nan 0.000 0.487 842 V N 4.644 124.439 119.914 -0.199 0.000 2.817 842 V HA 0.409 4.485 4.120 -0.073 0.000 0.303 842 V C -0.831 175.278 176.094 0.025 0.000 1.151 842 V CA -1.477 60.666 62.300 -0.260 0.000 0.929 842 V CB 1.670 33.459 31.823 -0.056 0.000 1.030 842 V HN 0.639 nan 8.190 nan 0.000 0.427 843 F N 1.167 121.149 119.950 0.053 0.000 2.579 843 F HA 0.736 5.201 4.527 -0.105 0.000 0.324 843 F C 1.143 176.963 175.800 0.033 0.000 1.058 843 F CA -0.733 57.289 58.000 0.036 0.000 0.944 843 F CB 2.238 41.249 39.000 0.019 0.000 1.245 843 F HN 0.569 nan 8.300 nan 0.000 0.477 844 A N 0.958 123.920 122.820 0.236 0.000 1.924 844 A HA 0.139 4.415 4.320 -0.073 0.000 0.211 844 A C 0.319 177.979 177.584 0.126 0.000 1.198 844 A CA 0.726 52.846 52.037 0.139 0.000 0.657 844 A CB -0.181 18.876 19.000 0.095 0.000 0.852 844 A HN 0.663 nan 8.150 nan 0.000 0.454 845 N N -1.390 117.381 118.700 0.118 0.000 2.319 845 N HA 0.468 5.164 4.740 -0.073 0.000 0.305 845 N C -2.303 173.272 175.510 0.108 0.000 1.103 845 N CA -2.082 51.030 53.050 0.103 0.000 0.815 845 N CB 2.024 40.548 38.487 0.062 0.000 1.288 845 N HN -0.224 nan 8.380 nan 0.000 0.493 846 P HA -0.184 nan 4.420 nan 0.000 0.216 846 P C 0.137 177.469 177.300 0.054 0.000 1.167 846 P CA 1.567 64.716 63.100 0.081 0.000 0.914 846 P CB 0.215 31.983 31.700 0.113 0.000 0.793 847 D N -0.600 119.826 120.400 0.042 0.000 2.160 847 D HA -0.228 4.368 4.640 -0.073 0.000 0.189 847 D C 1.863 178.132 176.300 -0.051 0.000 1.003 847 D CA 1.322 55.325 54.000 0.005 0.000 0.846 847 D CB -0.832 39.971 40.800 0.004 0.000 0.949 847 D HN 0.298 nan 8.370 nan 0.000 0.446 848 E N 0.300 120.456 120.200 -0.073 0.000 2.149 848 E HA -0.369 3.937 4.350 -0.073 0.000 0.215 848 E C 2.142 178.502 176.600 -0.401 0.000 1.055 848 E CA 1.588 57.855 56.400 -0.223 0.000 0.870 848 E CB -0.442 29.172 29.700 -0.143 0.000 0.764 848 E HN 0.364 nan 8.360 nan 0.000 0.463 849 A N 1.017 123.755 122.820 -0.137 0.000 1.884 849 A HA -0.232 4.044 4.320 -0.073 0.000 0.219 849 A C 2.363 179.897 177.584 -0.084 0.000 1.197 849 A CA 2.054 54.111 52.037 0.034 0.000 0.637 849 A CB -0.872 18.297 19.000 0.282 0.000 0.827 849 A HN 0.158 nan 8.150 nan 0.000 0.450 850 L N -0.272 120.919 121.223 -0.053 0.000 2.012 850 L HA -0.210 4.086 4.340 -0.073 0.000 0.210 850 L C 2.556 179.381 176.870 -0.075 0.000 1.073 850 L CA 1.519 56.335 54.840 -0.040 0.000 0.748 850 L CB -0.800 41.257 42.059 -0.003 0.000 0.891 850 L HN 0.373 nan 8.230 nan 0.000 0.431 851 L N -0.434 120.712 121.223 -0.128 0.000 2.043 851 L HA -0.306 3.990 4.340 -0.073 0.000 0.212 851 L C 2.870 179.622 176.870 -0.197 0.000 1.075 851 L CA 1.479 56.230 54.840 -0.149 0.000 0.752 851 L CB -1.164 40.748 42.059 -0.246 0.000 0.891 851 L HN 0.373 nan 8.230 nan 0.000 0.432 852 A N 0.172 122.808 122.820 -0.308 0.000 1.873 852 A HA -0.182 4.094 4.320 -0.073 0.000 0.218 852 A C 2.333 179.846 177.584 -0.118 0.000 1.193 852 A CA 2.233 54.094 52.037 -0.292 0.000 0.629 852 A CB -0.946 17.795 19.000 -0.432 0.000 0.826 852 A HN 0.235 nan 8.150 nan 0.000 0.447 853 V N -0.054 119.811 119.914 -0.082 0.000 2.332 853 V HA -0.265 3.811 4.120 -0.073 0.000 0.248 853 V C 3.028 179.126 176.094 0.008 0.000 1.055 853 V CA 1.966 64.244 62.300 -0.036 0.000 1.038 853 V CB -1.605 30.200 31.823 -0.030 0.000 0.651 853 V HN 0.647 nan 8.190 nan 0.000 0.450 854 A N -0.448 122.395 122.820 0.038 0.000 1.873 854 A HA -0.284 3.992 4.320 -0.073 0.000 0.218 854 A C 1.933 179.595 177.584 0.130 0.000 1.193 854 A CA 2.006 54.103 52.037 0.099 0.000 0.629 854 A CB -1.016 18.082 19.000 0.164 0.000 0.826 854 A HN 0.736 nan 8.150 nan 0.000 0.447 855 H N -0.750 118.285 119.070 -0.058 0.000 2.612 855 H HA 0.238 4.747 4.556 -0.078 0.000 0.285 855 H C 1.542 176.843 175.328 -0.045 0.000 1.066 855 H CA 0.031 56.049 56.048 -0.050 0.000 1.180 855 H CB -0.466 29.261 29.762 -0.058 0.000 1.312 855 H HN 0.724 nan 8.280 nan 0.000 0.606 856 G N 1.245 110.073 108.800 0.048 0.000 2.212 856 G HA2 -0.308 3.608 3.960 -0.073 0.000 0.267 856 G HA3 -0.308 3.608 3.960 -0.073 0.000 0.267 856 G C 1.084 175.984 174.900 0.001 0.000 1.002 856 G CA 0.557 45.666 45.100 0.014 0.000 0.729 856 G HN 0.357 nan 8.290 nan 0.000 0.517 857 I N -0.426 120.130 120.570 -0.025 0.000 2.141 857 I HA 0.049 4.175 4.170 -0.073 0.000 0.236 857 I C 1.483 177.492 176.117 -0.181 0.000 1.071 857 I CA 1.534 62.772 61.300 -0.103 0.000 1.345 857 I CB -1.022 36.861 38.000 -0.196 0.000 1.066 857 I HN 0.113 nan 8.210 nan 0.000 0.406 858 V N 1.726 121.523 119.914 -0.195 0.000 2.735 858 V HA 0.368 4.444 4.120 -0.073 0.000 0.310 858 V C -0.709 175.341 176.094 -0.073 0.000 1.061 858 V CA -1.189 61.017 62.300 -0.157 0.000 0.913 858 V CB 2.039 33.743 31.823 -0.198 0.000 1.005 858 V HN 0.175 nan 8.190 nan 0.000 0.428 859 D N 2.534 122.902 120.400 -0.052 0.000 2.411 859 D HA 0.341 4.937 4.640 -0.073 0.000 0.251 859 D C 1.130 177.385 176.300 -0.075 0.000 1.201 859 D CA -0.592 53.373 54.000 -0.059 0.000 0.996 859 D CB 1.931 42.693 40.800 -0.063 0.000 1.101 859 D HN 0.339 nan 8.370 nan 0.000 0.504 860 L N -0.566 120.591 121.223 -0.110 0.000 2.275 860 L HA -0.195 4.101 4.340 -0.073 0.000 0.215 860 L C 1.450 178.234 176.870 -0.144 0.000 1.119 860 L CA 1.272 56.031 54.840 -0.134 0.000 0.790 860 L CB -0.290 41.647 42.059 -0.203 0.000 0.919 860 L HN 0.227 nan 8.230 nan 0.000 0.443 861 Q N -1.034 118.667 119.800 -0.165 0.000 2.217 861 Q HA 0.157 4.453 4.340 -0.073 0.000 0.226 861 Q C -0.701 175.276 176.000 -0.038 0.000 0.875 861 Q CA 0.068 55.793 55.803 -0.129 0.000 0.974 861 Q CB 0.136 28.748 28.738 -0.209 0.000 1.079 861 Q HN 0.114 nan 8.270 nan 0.000 0.463 862 D N 0.345 120.725 120.400 -0.033 0.000 2.185 862 D HA 0.180 4.776 4.640 -0.073 0.000 0.247 862 D C -0.446 175.858 176.300 0.006 0.000 1.027 862 D CA -0.793 53.210 54.000 0.005 0.000 0.861 862 D CB 1.878 42.687 40.800 0.014 0.000 1.202 862 D HN -0.025 nan 8.370 nan 0.000 0.453 863 V N 1.265 121.192 119.914 0.022 0.000 2.400 863 V HA 0.278 4.354 4.120 -0.073 0.000 0.263 863 V C 0.421 176.521 176.094 0.009 0.000 1.026 863 V CA -0.199 62.108 62.300 0.011 0.000 1.077 863 V CB -0.415 31.420 31.823 0.020 0.000 1.054 863 V HN 0.183 nan 8.190 nan 0.000 0.477 864 V N 3.327 123.219 119.914 -0.036 0.000 3.158 864 V HA 0.662 4.738 4.120 -0.073 0.000 0.311 864 V C 0.169 176.174 176.094 -0.150 0.000 1.181 864 V CA -0.630 61.605 62.300 -0.110 0.000 1.054 864 V CB 2.627 34.336 31.823 -0.190 0.000 1.085 864 V HN 0.825 nan 8.190 nan 0.000 0.446 865 T N 1.284 115.684 114.554 -0.256 0.000 2.812 865 T HA 0.743 5.049 4.350 -0.073 0.000 0.282 865 T C -0.741 173.821 174.700 -0.230 0.000 0.990 865 T CA -0.344 61.647 62.100 -0.181 0.000 0.960 865 T CB 1.496 70.292 68.868 -0.120 0.000 0.948 865 T HN 0.450 nan 8.240 nan 0.000 0.438 866 V N 2.447 122.305 119.914 -0.092 0.000 3.102 866 V HA 0.614 4.690 4.120 -0.073 0.000 0.312 866 V C -0.274 175.852 176.094 0.052 0.000 1.135 866 V CA -1.370 60.926 62.300 -0.006 0.000 1.022 866 V CB 2.452 34.292 31.823 0.028 0.000 1.056 866 V HN 0.752 nan 8.190 nan 0.000 0.436 867 R N 1.323 121.883 120.500 0.100 0.000 2.247 867 R HA 0.444 4.740 4.340 -0.073 0.000 0.329 867 R C -1.221 175.201 176.300 0.204 0.000 1.014 867 R CA -0.169 56.004 56.100 0.121 0.000 0.907 867 R CB 0.199 30.558 30.300 0.098 0.000 1.146 867 R HN 0.802 nan 8.270 nan 0.000 0.499 868 Y N 2.811 123.121 120.300 0.016 0.000 2.565 868 Y HA 0.273 4.789 4.550 -0.056 0.000 0.325 868 Y C 0.298 176.146 175.900 -0.086 0.000 1.221 868 Y CA -1.887 56.203 58.100 -0.016 0.000 1.316 868 Y CB 1.057 39.523 38.460 0.009 0.000 1.404 868 Y HN 0.355 nan 8.280 nan 0.000 0.527 869 M N 1.691 121.121 119.600 -0.284 0.000 2.301 869 M HA -0.033 4.403 4.480 -0.073 0.000 0.404 869 M C 1.050 177.232 176.300 -0.198 0.000 1.497 869 M CA 1.458 56.570 55.300 -0.313 0.000 0.867 869 M CB -0.777 31.510 32.600 -0.522 0.000 2.037 869 M HN 0.776 nan 8.290 nan 0.000 0.496 870 G N 2.667 111.395 108.800 -0.120 0.000 2.483 870 G HA2 -0.298 3.618 3.960 -0.073 0.000 0.309 870 G HA3 -0.298 3.618 3.960 -0.073 0.000 0.309 870 G C 0.182 175.049 174.900 -0.055 0.000 0.908 870 G CA 1.106 46.159 45.100 -0.079 0.000 0.943 870 G HN 0.697 nan 8.290 nan 0.000 0.511 871 K N -1.372 119.014 120.400 -0.023 0.000 2.569 871 K HA 0.337 4.613 4.320 -0.073 0.000 0.259 871 K C -0.084 176.547 176.600 0.052 0.000 0.932 871 K CA -0.884 55.409 56.287 0.011 0.000 0.833 871 K CB 1.312 33.813 32.500 0.002 0.000 1.340 871 K HN 0.134 nan 8.250 nan 0.000 0.429 872 R N 3.848 124.375 120.500 0.045 0.000 2.419 872 R HA 0.265 4.561 4.340 -0.073 0.000 0.305 872 R C -0.378 175.956 176.300 0.057 0.000 1.242 872 R CA -0.282 55.846 56.100 0.047 0.000 1.105 872 R CB -0.006 30.312 30.300 0.029 0.000 1.116 872 R HN 0.331 nan 8.270 nan 0.000 0.523 873 L N 2.577 123.848 121.223 0.080 0.000 2.349 873 L HA 0.187 4.483 4.340 -0.073 0.000 0.275 873 L C 0.461 177.354 176.870 0.038 0.000 1.115 873 L CA 0.047 54.942 54.840 0.092 0.000 0.820 873 L CB 0.843 42.992 42.059 0.150 0.000 1.135 873 L HN 0.391 nan 8.230 nan 0.000 0.445 874 E N 2.754 122.972 120.200 0.030 0.000 2.073 874 E HA 0.391 4.697 4.350 -0.073 0.000 0.269 874 E C -0.693 175.904 176.600 -0.005 0.000 0.917 874 E CA -0.261 56.139 56.400 -0.000 0.000 0.757 874 E CB 1.410 31.112 29.700 0.004 0.000 1.111 874 E HN 0.708 nan 8.360 nan 0.000 0.410 875 T N -0.996 113.543 114.554 -0.024 0.000 2.637 875 T HA 0.412 4.718 4.350 -0.073 0.000 0.303 875 T C -0.179 174.496 174.700 -0.042 0.000 1.288 875 T CA -1.003 61.078 62.100 -0.031 0.000 1.040 875 T CB 0.948 69.799 68.868 -0.028 0.000 1.644 875 T HN 0.282 nan 8.240 nan 0.000 0.480 876 S N 0.042 115.714 115.700 -0.046 0.000 2.638 876 S HA 0.612 5.038 4.470 -0.073 0.000 0.298 876 S C -2.226 172.349 174.600 -0.041 0.000 1.111 876 S CA -1.440 56.732 58.200 -0.046 0.000 1.027 876 S CB 1.409 64.574 63.200 -0.059 0.000 1.064 876 S HN 0.424 nan 8.310 nan 0.000 0.525 877 P HA 0.008 nan 4.420 nan 0.000 0.214 877 P C 1.803 179.080 177.300 -0.038 0.000 1.163 877 P CA 1.790 64.884 63.100 -0.009 0.000 0.883 877 P CB -0.497 31.203 31.700 0.000 0.000 0.788 878 G N 0.259 109.014 108.800 -0.076 0.000 2.529 878 G HA2 -0.310 3.606 3.960 -0.073 0.000 0.219 878 G HA3 -0.310 3.606 3.960 -0.073 0.000 0.219 878 G C 1.613 176.499 174.900 -0.022 0.000 1.177 878 G CA 0.937 45.981 45.100 -0.093 0.000 0.773 878 G HN 0.221 nan 8.290 nan 0.000 0.573 879 R N -0.529 119.945 120.500 -0.043 0.000 2.117 879 R HA -0.046 4.250 4.340 -0.073 0.000 0.243 879 R C 2.364 178.665 176.300 0.002 0.000 1.143 879 R CA 1.103 57.182 56.100 -0.036 0.000 0.968 879 R CB -0.376 29.878 30.300 -0.076 0.000 0.863 879 R HN 0.327 nan 8.270 nan 0.000 0.444 880 I N 0.902 121.455 120.570 -0.027 0.000 2.500 880 I HA -0.138 3.988 4.170 -0.073 0.000 0.252 880 I C 1.898 178.012 176.117 -0.005 0.000 1.142 880 I CA 0.797 62.056 61.300 -0.068 0.000 1.451 880 I CB -0.452 37.471 38.000 -0.128 0.000 1.093 880 I HN 0.116 nan 8.210 nan 0.000 0.430 881 L N 0.670 121.909 121.223 0.027 0.000 1.994 881 L HA -0.215 4.081 4.340 -0.073 0.000 0.208 881 L C 2.430 179.343 176.870 0.072 0.000 1.071 881 L CA 1.963 56.834 54.840 0.051 0.000 0.745 881 L CB -1.400 40.691 42.059 0.053 0.000 0.892 881 L HN 0.226 nan 8.230 nan 0.000 0.431 882 F N 0.442 120.384 119.950 -0.013 0.000 2.063 882 F HA -0.360 4.116 4.527 -0.085 0.000 0.298 882 F C 2.368 178.147 175.800 -0.034 0.000 1.109 882 F CA 2.343 60.335 58.000 -0.015 0.000 1.212 882 F CB -0.580 38.409 39.000 -0.018 0.000 0.973 882 F HN 0.228 nan 8.300 nan 0.000 0.480 883 A N 0.605 123.613 122.820 0.313 0.000 1.903 883 A HA -0.319 3.957 4.320 -0.073 0.000 0.219 883 A C 2.379 180.043 177.584 0.133 0.000 1.191 883 A CA 2.182 54.366 52.037 0.244 0.000 0.638 883 A CB -1.102 18.033 19.000 0.225 0.000 0.823 883 A HN 0.529 nan 8.150 nan 0.000 0.451 884 R N -0.303 120.242 120.500 0.074 0.000 2.082 884 R HA -0.143 4.153 4.340 -0.073 0.000 0.234 884 R C 2.091 178.318 176.300 -0.120 0.000 1.136 884 R CA 1.994 58.108 56.100 0.024 0.000 0.935 884 R CB -0.597 29.714 30.300 0.019 0.000 0.842 884 R HN 0.570 nan 8.270 nan 0.000 0.430 885 I N 0.646 121.041 120.570 -0.293 0.000 2.191 885 I HA -0.388 3.738 4.170 -0.073 0.000 0.248 885 I C 2.268 178.115 176.117 -0.451 0.000 1.061 885 I CA 1.663 62.600 61.300 -0.605 0.000 1.329 885 I CB -0.313 37.159 38.000 -0.880 0.000 1.024 885 I HN 0.136 nan 8.210 nan 0.000 0.423 886 V N 0.298 120.023 119.914 -0.315 0.000 2.426 886 V HA -0.062 4.014 4.120 -0.073 0.000 0.242 886 V C 2.640 178.704 176.094 -0.051 0.000 1.036 886 V CA 1.448 63.651 62.300 -0.162 0.000 1.044 886 V CB -0.724 31.070 31.823 -0.049 0.000 0.688 886 V HN 0.463 nan 8.190 nan 0.000 0.462 887 A N -0.040 122.786 122.820 0.009 0.000 1.958 887 A HA -0.324 3.952 4.320 -0.073 0.000 0.221 887 A C 2.128 179.724 177.584 0.021 0.000 1.178 887 A CA 2.553 54.626 52.037 0.061 0.000 0.642 887 A CB -0.438 18.638 19.000 0.128 0.000 0.816 887 A HN 0.599 nan 8.150 nan 0.000 0.453 888 E N -0.649 119.535 120.200 -0.026 0.000 2.021 888 E HA 0.127 4.433 4.350 -0.073 0.000 0.189 888 E C 2.264 178.847 176.600 -0.028 0.000 0.980 888 E CA 1.131 57.515 56.400 -0.027 0.000 0.803 888 E CB -0.428 29.236 29.700 -0.060 0.000 0.766 888 E HN 0.460 nan 8.360 nan 0.000 0.449 889 A N 0.451 123.229 122.820 -0.069 0.000 1.915 889 A HA -0.188 4.088 4.320 -0.073 0.000 0.220 889 A C 0.982 178.560 177.584 -0.011 0.000 1.198 889 A CA 1.895 53.906 52.037 -0.043 0.000 0.647 889 A CB -0.899 18.057 19.000 -0.075 0.000 0.825 889 A HN 0.250 nan 8.150 nan 0.000 0.456 890 V N -2.690 117.221 119.914 -0.005 0.000 2.350 890 V HA 0.557 4.633 4.120 -0.073 0.000 0.285 890 V C 0.458 176.566 176.094 0.023 0.000 1.014 890 V CA -0.029 62.279 62.300 0.014 0.000 0.831 890 V CB 1.273 33.111 31.823 0.024 0.000 1.000 890 V HN 0.375 nan 8.190 nan 0.000 0.433 891 E N 2.689 122.902 120.200 0.022 0.000 2.331 891 E HA -0.179 4.127 4.350 -0.073 0.000 0.199 891 E C 0.838 177.457 176.600 0.031 0.000 1.008 891 E CA 1.104 57.519 56.400 0.026 0.000 0.843 891 E CB -0.190 29.523 29.700 0.021 0.000 0.761 891 E HN 0.886 nan 8.360 nan 0.000 0.507 892 D N 0.562 120.983 120.400 0.034 0.000 2.736 892 D HA -0.042 4.554 4.640 -0.073 0.000 0.228 892 D C 0.841 177.173 176.300 0.053 0.000 1.077 892 D CA 0.177 54.199 54.000 0.037 0.000 1.096 892 D CB -0.313 40.509 40.800 0.038 0.000 1.138 892 D HN 0.317 nan 8.370 nan 0.000 0.461 893 E N 0.871 121.102 120.200 0.051 0.000 2.271 893 E HA -0.351 3.955 4.350 -0.073 0.000 0.209 893 E C 1.362 178.017 176.600 0.091 0.000 1.046 893 E CA 1.302 57.746 56.400 0.074 0.000 0.840 893 E CB 0.311 30.034 29.700 0.038 0.000 0.738 893 E HN 0.222 nan 8.360 nan 0.000 0.470 894 K N -0.164 120.265 120.400 0.048 0.000 2.005 894 K HA -0.075 4.201 4.320 -0.073 0.000 0.206 894 K C 2.291 178.978 176.600 0.145 0.000 1.044 894 K CA 1.208 57.528 56.287 0.055 0.000 0.942 894 K CB -0.436 32.062 32.500 -0.002 0.000 0.727 894 K HN 0.113 nan 8.250 nan 0.000 0.439 895 V N 2.113 122.088 119.914 0.102 0.000 2.250 895 V HA -0.312 3.764 4.120 -0.073 0.000 0.250 895 V C 2.538 178.716 176.094 0.140 0.000 1.060 895 V CA 2.226 64.589 62.300 0.105 0.000 1.030 895 V CB -1.253 30.613 31.823 0.072 0.000 0.643 895 V HN 0.330 nan 8.190 nan 0.000 0.445 896 A N -1.464 121.444 122.820 0.146 0.000 2.042 896 A HA -0.307 3.969 4.320 -0.073 0.000 0.222 896 A C 1.903 179.602 177.584 0.192 0.000 1.167 896 A CA 2.372 54.503 52.037 0.157 0.000 0.649 896 A CB -0.907 18.192 19.000 0.165 0.000 0.809 896 A HN 0.739 nan 8.150 nan 0.000 0.457 897 W N 0.037 121.375 121.300 0.065 0.000 2.523 897 W HA 0.091 4.704 4.660 -0.078 0.000 0.278 897 W C 1.570 178.119 176.519 0.049 0.000 1.236 897 W CA 1.023 58.411 57.345 0.072 0.000 1.306 897 W CB 0.182 29.673 29.460 0.052 0.000 1.101 897 W HN 0.364 nan 8.180 nan 0.000 0.577 898 E N 0.715 121.060 120.200 0.242 0.000 2.405 898 E HA -0.072 4.234 4.350 -0.073 0.000 0.194 898 E C 0.967 177.602 176.600 0.057 0.000 1.149 898 E CA 0.424 56.912 56.400 0.147 0.000 0.933 898 E CB -0.324 29.448 29.700 0.120 0.000 1.028 898 E HN 0.259 nan 8.360 nan 0.000 0.487 899 L N -2.595 118.635 121.223 0.011 0.000 3.927 899 L HA 0.243 4.539 4.340 -0.073 0.000 0.388 899 L C 0.349 177.182 176.870 -0.062 0.000 1.022 899 L CA 0.184 55.015 54.840 -0.016 0.000 1.497 899 L CB -1.050 41.019 42.059 0.015 0.000 2.031 899 L HN -0.061 nan 8.230 nan 0.000 0.625 900 I N 0.827 121.328 120.570 -0.116 0.000 2.365 900 I HA 0.453 4.579 4.170 -0.073 0.000 0.291 900 I C -0.358 175.581 176.117 -0.296 0.000 1.004 900 I CA -0.253 60.944 61.300 -0.173 0.000 1.311 900 I CB 1.320 39.251 38.000 -0.115 0.000 1.401 900 I HN 0.145 nan 8.210 nan 0.000 0.491 901 Q N 7.072 126.719 119.800 -0.255 0.000 2.844 901 Q HA 0.271 4.567 4.340 -0.073 0.000 0.235 901 Q C 0.333 176.164 176.000 -0.282 0.000 1.336 901 Q CA -0.303 55.351 55.803 -0.249 0.000 1.026 901 Q CB 0.368 29.003 28.738 -0.172 0.000 1.513 901 Q HN 0.776 nan 8.270 nan 0.000 0.577 902 L N -1.951 119.071 121.223 -0.336 0.000 3.062 902 L HA 0.079 4.375 4.340 -0.073 0.000 0.264 902 L C -0.181 176.577 176.870 -0.186 0.000 1.242 902 L CA 0.231 54.909 54.840 -0.271 0.000 1.072 902 L CB -0.201 41.700 42.059 -0.263 0.000 1.420 902 L HN 0.254 nan 8.230 nan 0.000 0.412 903 D N -0.226 120.071 120.400 -0.172 0.000 2.461 903 D HA 0.128 4.724 4.640 -0.073 0.000 0.266 903 D C 0.825 177.056 176.300 -0.116 0.000 1.085 903 D CA 0.590 54.519 54.000 -0.118 0.000 0.887 903 D CB 1.067 41.811 40.800 -0.093 0.000 1.309 903 D HN 0.378 nan 8.370 nan 0.000 0.498 904 V N -0.620 119.213 119.914 -0.135 0.000 2.994 904 V HA 0.647 4.723 4.120 -0.073 0.000 0.318 904 V C -2.756 173.238 176.094 -0.167 0.000 1.085 904 V CA -2.301 59.925 62.300 -0.122 0.000 0.998 904 V CB 1.446 33.219 31.823 -0.083 0.000 1.063 904 V HN -0.275 nan 8.190 nan 0.000 0.447 905 P HA 0.204 nan 4.420 nan 0.000 0.269 905 P C -0.945 176.275 177.300 -0.132 0.000 1.215 905 P CA -0.014 62.908 63.100 -0.296 0.000 0.780 905 P CB 0.242 31.625 31.700 -0.529 0.000 0.898 906 Q N 1.991 121.734 119.800 -0.095 0.000 2.296 906 Q HA 0.188 4.484 4.340 -0.073 0.000 0.257 906 Q C 0.168 176.326 176.000 0.263 0.000 0.942 906 Q CA 0.228 56.032 55.803 0.002 0.000 0.939 906 Q CB 1.387 30.066 28.738 -0.098 0.000 1.198 906 Q HN 0.510 nan 8.270 nan 0.000 0.429 907 E N 2.088 122.395 120.200 0.178 0.000 2.754 907 E HA 0.181 4.487 4.350 -0.073 0.000 0.224 907 E C 0.255 176.909 176.600 0.090 0.000 0.851 907 E CA -0.467 56.020 56.400 0.144 0.000 1.047 907 E CB 0.993 30.750 29.700 0.095 0.000 1.584 907 E HN 0.424 nan 8.360 nan 0.000 0.429 908 K N -0.236 120.196 120.400 0.054 0.000 2.076 908 K HA -0.009 4.267 4.320 -0.073 0.000 0.204 908 K C 1.653 178.293 176.600 0.067 0.000 1.051 908 K CA 1.118 57.441 56.287 0.061 0.000 0.949 908 K CB -0.045 32.481 32.500 0.044 0.000 0.726 908 K HN 0.305 nan 8.250 nan 0.000 0.443 909 N N 0.432 119.166 118.700 0.056 0.000 2.216 909 N HA -0.084 4.612 4.740 -0.073 0.000 0.183 909 N C 1.789 177.334 175.510 0.058 0.000 1.017 909 N CA 1.194 54.279 53.050 0.059 0.000 0.861 909 N CB -0.110 38.406 38.487 0.048 0.000 0.986 909 N HN 0.115 nan 8.380 nan 0.000 0.428 910 S N 1.652 117.378 115.700 0.043 0.000 2.368 910 S HA -0.126 4.300 4.470 -0.073 0.000 0.226 910 S C 2.008 176.627 174.600 0.033 0.000 1.044 910 S CA 1.025 59.235 58.200 0.017 0.000 1.062 910 S CB -0.315 62.880 63.200 -0.008 0.000 0.931 910 S HN 0.119 nan 8.310 nan 0.000 0.440 911 L N 1.604 122.866 121.223 0.065 0.000 1.976 911 L HA -0.025 4.271 4.340 -0.073 0.000 0.209 911 L C 2.353 179.294 176.870 0.118 0.000 1.071 911 L CA 1.717 56.622 54.840 0.109 0.000 0.746 911 L CB -1.266 40.876 42.059 0.139 0.000 0.890 911 L HN 0.246 nan 8.230 nan 0.000 0.432 912 K N -0.263 120.206 120.400 0.115 0.000 2.071 912 K HA -0.289 3.987 4.320 -0.073 0.000 0.217 912 K C 1.802 178.498 176.600 0.160 0.000 1.054 912 K CA 2.247 58.613 56.287 0.132 0.000 0.937 912 K CB -0.179 32.389 32.500 0.113 0.000 0.719 912 K HN 0.317 nan 8.250 nan 0.000 0.454 913 D N 0.560 121.037 120.400 0.129 0.000 2.103 913 D HA -0.238 4.358 4.640 -0.073 0.000 0.190 913 D C 1.923 178.292 176.300 0.115 0.000 0.997 913 D CA 1.436 55.509 54.000 0.122 0.000 0.833 913 D CB -0.430 40.411 40.800 0.068 0.000 0.961 913 D HN 0.311 nan 8.370 nan 0.000 0.447 914 L N 0.555 121.836 121.223 0.098 0.000 2.081 914 L HA -0.203 4.093 4.340 -0.073 0.000 0.212 914 L C 2.250 179.204 176.870 0.141 0.000 1.080 914 L CA 1.059 55.961 54.840 0.104 0.000 0.754 914 L CB -0.029 42.103 42.059 0.122 0.000 0.893 914 L HN -0.089 nan 8.230 nan 0.000 0.433 915 V N -0.797 119.222 119.914 0.174 0.000 2.244 915 V HA -0.355 3.721 4.120 -0.073 0.000 0.244 915 V C 2.120 178.398 176.094 0.307 0.000 1.042 915 V CA 2.135 64.558 62.300 0.204 0.000 1.006 915 V CB -0.800 31.137 31.823 0.191 0.000 0.641 915 V HN 0.571 nan 8.190 nan 0.000 0.446 916 Y N -0.034 120.362 120.300 0.160 0.000 2.465 916 Y HA -0.337 4.169 4.550 -0.074 0.000 0.289 916 Y C 2.620 178.608 175.900 0.145 0.000 1.150 916 Y CA 1.290 59.494 58.100 0.174 0.000 1.293 916 Y CB 0.238 38.752 38.460 0.091 0.000 0.977 916 Y HN 0.316 nan 8.280 nan 0.000 0.556 917 Q N 0.399 120.252 119.800 0.089 0.000 2.008 917 Q HA -0.046 4.250 4.340 -0.073 0.000 0.196 917 Q C 2.460 178.498 176.000 0.064 0.000 0.973 917 Q CA 1.806 57.588 55.803 -0.036 0.000 0.826 917 Q CB -0.569 28.163 28.738 -0.009 0.000 0.894 917 Q HN 0.477 nan 8.270 nan 0.000 0.439 918 A N -0.167 122.729 122.820 0.126 0.000 2.019 918 A HA -0.175 4.101 4.320 -0.073 0.000 0.219 918 A C 2.008 179.720 177.584 0.213 0.000 1.164 918 A CA 1.145 53.261 52.037 0.131 0.000 0.644 918 A CB -0.970 18.094 19.000 0.106 0.000 0.805 918 A HN 0.550 nan 8.150 nan 0.000 0.449 919 F N -0.015 119.988 119.950 0.090 0.000 2.010 919 F HA -0.237 4.245 4.527 -0.074 0.000 0.296 919 F C 2.013 177.864 175.800 0.085 0.000 1.146 919 F CA 1.354 59.424 58.000 0.117 0.000 1.181 919 F CB -0.137 38.996 39.000 0.223 0.000 0.965 919 F HN 0.185 nan 8.300 nan 0.000 0.480 920 L N 1.055 122.455 121.223 0.294 0.000 1.956 920 L HA -0.268 4.028 4.340 -0.073 0.000 0.216 920 L C 2.524 179.453 176.870 0.099 0.000 1.073 920 L CA 1.671 56.562 54.840 0.086 0.000 0.762 920 L CB -1.516 40.492 42.059 -0.086 0.000 0.889 920 L HN 0.131 nan 8.230 nan 0.000 0.433 921 R N -0.411 120.127 120.500 0.062 0.000 2.132 921 R HA -0.143 4.153 4.340 -0.073 0.000 0.233 921 R C 1.487 177.831 176.300 0.073 0.000 1.125 921 R CA 1.373 57.504 56.100 0.053 0.000 0.914 921 R CB -1.129 29.195 30.300 0.040 0.000 0.845 921 R HN 0.276 nan 8.270 nan 0.000 0.431 922 L N -1.319 119.958 121.223 0.090 0.000 2.977 922 L HA 0.259 4.555 4.340 -0.073 0.000 0.175 922 L C 1.765 178.686 176.870 0.087 0.000 1.360 922 L CA -0.111 54.774 54.840 0.074 0.000 1.392 922 L CB -0.500 41.595 42.059 0.061 0.000 2.342 922 L HN 0.191 nan 8.230 nan 0.000 0.524 923 G N -1.168 107.664 108.800 0.052 0.000 2.514 923 G HA2 0.199 4.115 3.960 -0.073 0.000 0.245 923 G HA3 0.199 4.115 3.960 -0.073 0.000 0.245 923 G C 0.301 175.207 174.900 0.011 0.000 1.488 923 G CA -0.200 44.921 45.100 0.035 0.000 1.063 923 G HN 0.584 nan 8.290 nan 0.000 0.557 924 M N -1.232 118.329 119.600 -0.065 0.000 2.971 924 M HA 0.154 4.590 4.480 -0.073 0.000 0.238 924 M C 2.452 178.648 176.300 -0.173 0.000 1.582 924 M CA 0.939 56.107 55.300 -0.221 0.000 1.223 924 M CB -0.061 32.402 32.600 -0.229 0.000 1.238 924 M HN 0.730 nan 8.290 nan 0.000 0.568 925 E N 0.461 120.599 120.200 -0.103 0.000 2.110 925 E HA -0.264 4.042 4.350 -0.073 0.000 0.193 925 E C 1.794 178.359 176.600 -0.057 0.000 0.988 925 E CA 1.360 57.716 56.400 -0.073 0.000 0.804 925 E CB -0.583 29.080 29.700 -0.060 0.000 0.745 925 E HN 0.474 nan 8.360 nan 0.000 0.458 926 K N 0.398 120.772 120.400 -0.043 0.000 2.360 926 K HA -0.061 4.215 4.320 -0.073 0.000 0.201 926 K C 1.382 177.969 176.600 -0.022 0.000 1.046 926 K CA 1.456 57.730 56.287 -0.021 0.000 0.945 926 K CB 0.060 32.557 32.500 -0.005 0.000 0.750 926 K HN 0.103 nan 8.250 nan 0.000 0.464 927 T N -0.134 114.390 114.554 -0.051 0.000 3.067 927 T HA 0.105 4.411 4.350 -0.073 0.000 0.257 927 T C 1.540 176.211 174.700 -0.050 0.000 1.105 927 T CA 0.597 62.667 62.100 -0.050 0.000 1.104 927 T CB 0.221 69.028 68.868 -0.103 0.000 0.925 927 T HN 0.305 nan 8.240 nan 0.000 0.498 928 A N 2.386 125.170 122.820 -0.059 0.000 1.873 928 A HA -0.070 4.206 4.320 -0.073 0.000 0.215 928 A C 2.348 179.931 177.584 -0.001 0.000 1.186 928 A CA 0.999 53.013 52.037 -0.038 0.000 0.616 928 A CB -0.343 18.631 19.000 -0.043 0.000 0.823 928 A HN 0.343 nan 8.150 nan 0.000 0.442 929 R N -0.991 119.511 120.500 0.002 0.000 2.148 929 R HA -0.062 4.234 4.340 -0.073 0.000 0.227 929 R C 1.978 178.292 176.300 0.024 0.000 1.103 929 R CA 1.138 57.253 56.100 0.024 0.000 0.983 929 R CB -0.563 29.748 30.300 0.019 0.000 0.874 929 R HN 0.484 nan 8.270 nan 0.000 0.451 930 L N 1.272 122.501 121.223 0.011 0.000 2.083 930 L HA -0.126 4.170 4.340 -0.073 0.000 0.209 930 L C 1.898 178.777 176.870 0.014 0.000 1.083 930 L CA 1.576 56.419 54.840 0.006 0.000 0.752 930 L CB -0.394 41.674 42.059 0.016 0.000 0.899 930 L HN 0.077 nan 8.230 nan 0.000 0.433 931 L N -0.679 120.563 121.223 0.032 0.000 1.988 931 L HA -0.217 4.079 4.340 -0.073 0.000 0.207 931 L C 2.215 179.122 176.870 0.062 0.000 1.071 931 L CA 1.697 56.566 54.840 0.049 0.000 0.744 931 L CB -0.846 41.246 42.059 0.055 0.000 0.893 931 L HN 0.210 nan 8.230 nan 0.000 0.433 932 D N 0.205 120.658 120.400 0.088 0.000 2.116 932 D HA -0.238 4.358 4.640 -0.073 0.000 0.193 932 D C 2.192 178.559 176.300 0.111 0.000 0.998 932 D CA 1.551 55.624 54.000 0.122 0.000 0.836 932 D CB -0.236 40.645 40.800 0.135 0.000 0.951 932 D HN 0.369 nan 8.370 nan 0.000 0.449 933 A N 0.609 123.483 122.820 0.090 0.000 1.859 933 A HA -0.215 4.061 4.320 -0.073 0.000 0.217 933 A C 2.249 179.882 177.584 0.081 0.000 1.198 933 A CA 1.472 53.570 52.037 0.102 0.000 0.629 933 A CB -1.062 17.924 19.000 -0.024 0.000 0.830 933 A HN 0.262 nan 8.150 nan 0.000 0.446 934 L N -0.529 120.682 121.223 -0.019 0.000 2.127 934 L HA -0.232 4.064 4.340 -0.073 0.000 0.211 934 L C 2.600 179.420 176.870 -0.084 0.000 1.089 934 L CA 1.931 56.740 54.840 -0.051 0.000 0.757 934 L CB -0.557 41.493 42.059 -0.016 0.000 0.899 934 L HN 0.582 nan 8.230 nan 0.000 0.434 935 K N 0.139 120.479 120.400 -0.100 0.000 1.985 935 K HA -0.255 4.021 4.320 -0.073 0.000 0.210 935 K C 2.275 178.656 176.600 -0.366 0.000 1.047 935 K CA 1.610 57.688 56.287 -0.348 0.000 0.932 935 K CB -0.465 31.945 32.500 -0.149 0.000 0.716 935 K HN 0.274 nan 8.250 nan 0.000 0.439 936 Y N 0.035 120.225 120.300 -0.184 0.000 2.034 936 Y HA -0.359 4.151 4.550 -0.066 0.000 0.269 936 Y C 2.032 177.781 175.900 -0.252 0.000 1.125 936 Y CA 1.712 59.728 58.100 -0.140 0.000 1.097 936 Y CB -0.375 38.045 38.460 -0.066 0.000 0.978 936 Y HN 0.115 nan 8.280 nan 0.000 0.480 937 Y N 0.648 120.680 120.300 -0.446 0.000 2.425 937 Y HA -0.207 4.294 4.550 -0.081 0.000 0.285 937 Y C 2.428 177.989 175.900 -0.564 0.000 1.170 937 Y CA 1.214 58.833 58.100 -0.801 0.000 1.304 937 Y CB -1.050 36.991 38.460 -0.697 0.000 0.972 937 Y HN 0.289 nan 8.280 nan 0.000 0.558 938 G N -1.637 107.072 108.800 -0.152 0.000 2.411 938 G HA2 -0.140 3.776 3.960 -0.073 0.000 0.213 938 G HA3 -0.140 3.776 3.960 -0.073 0.000 0.213 938 G C 1.486 176.406 174.900 0.035 0.000 1.166 938 G CA 0.083 45.151 45.100 -0.053 0.000 0.802 938 G HN 0.434 nan 8.290 nan 0.000 0.533 939 F N 1.772 121.737 119.950 0.024 0.000 2.502 939 F HA -0.034 4.448 4.527 -0.074 0.000 0.298 939 F C 2.948 178.740 175.800 -0.012 0.000 1.111 939 F CA 1.004 59.011 58.000 0.011 0.000 1.445 939 F CB 0.211 39.210 39.000 -0.001 0.000 1.081 939 F HN 0.187 nan 8.300 nan 0.000 0.558 940 T N -2.305 112.299 114.554 0.084 0.000 2.904 940 T HA -0.024 4.282 4.350 -0.073 0.000 0.243 940 T C 1.704 176.437 174.700 0.055 0.000 1.024 940 T CA 0.372 62.462 62.100 -0.016 0.000 1.158 940 T CB -1.028 67.708 68.868 -0.220 0.000 0.867 940 T HN 0.144 nan 8.240 nan 0.000 0.429 941 F N 2.262 122.243 119.950 0.051 0.000 2.065 941 F HA -0.207 4.307 4.527 -0.022 0.000 0.298 941 F C 3.264 179.097 175.800 0.056 0.000 1.112 941 F CA 1.040 59.087 58.000 0.078 0.000 1.212 941 F CB -0.548 38.536 39.000 0.140 0.000 0.975 941 F HN 0.263 nan 8.300 nan 0.000 0.476 942 S N 0.363 116.229 115.700 0.275 0.000 2.393 942 S HA -0.355 4.071 4.470 -0.073 0.000 0.235 942 S C 2.175 176.800 174.600 0.042 0.000 1.061 942 S CA 2.922 61.206 58.200 0.141 0.000 1.129 942 S CB -1.131 62.170 63.200 0.169 0.000 1.011 942 S HN 0.570 nan 8.310 nan 0.000 0.436 943 T N -0.907 113.683 114.554 0.060 0.000 2.803 943 T HA -0.127 4.179 4.350 -0.073 0.000 0.269 943 T C 1.933 176.626 174.700 -0.012 0.000 1.052 943 T CA 2.232 64.340 62.100 0.012 0.000 1.136 943 T CB -1.446 67.430 68.868 0.015 0.000 0.864 943 T HN 0.739 nan 8.240 nan 0.000 0.467 944 T N -0.255 114.306 114.554 0.013 0.000 3.057 944 T HA 0.082 4.388 4.350 -0.073 0.000 0.254 944 T C 2.184 176.821 174.700 -0.106 0.000 1.094 944 T CA 0.848 62.943 62.100 -0.007 0.000 1.088 944 T CB -0.629 68.276 68.868 0.062 0.000 0.934 944 T HN 0.575 nan 8.240 nan 0.000 0.497 945 S N 1.625 117.182 115.700 -0.238 0.000 2.461 945 S HA 0.061 4.487 4.470 -0.073 0.000 0.246 945 S C 2.062 176.296 174.600 -0.610 0.000 1.007 945 S CA 0.871 58.591 58.200 -0.799 0.000 0.976 945 S CB -1.621 61.018 63.200 -0.935 0.000 0.763 945 S HN 1.515 nan 8.310 nan 0.000 0.508 946 G N 1.160 109.793 108.800 -0.279 0.000 2.283 946 G HA2 -0.282 3.634 3.960 -0.073 0.000 0.280 946 G HA3 -0.282 3.634 3.960 -0.073 0.000 0.280 946 G C -0.071 174.733 174.900 -0.160 0.000 1.029 946 G CA 0.417 45.415 45.100 -0.169 0.000 0.840 946 G HN 1.376 nan 8.290 nan 0.000 0.505 947 I N -0.034 120.427 120.570 -0.182 0.000 2.312 947 I HA 0.845 4.971 4.170 -0.073 0.000 0.290 947 I C 0.384 176.469 176.117 -0.054 0.000 1.008 947 I CA 0.158 61.394 61.300 -0.107 0.000 1.226 947 I CB 1.458 39.393 38.000 -0.108 0.000 1.371 947 I HN 0.329 nan 8.210 nan 0.000 0.468 948 T N 3.318 117.855 114.554 -0.028 0.000 2.565 948 T HA 0.657 4.963 4.350 -0.073 0.000 0.266 948 T C -0.316 174.384 174.700 -0.002 0.000 0.905 948 T CA -0.798 61.291 62.100 -0.018 0.000 1.122 948 T CB 1.055 69.910 68.868 -0.021 0.000 1.437 948 T HN 0.499 nan 8.240 nan 0.000 0.506 949 I N 1.146 121.716 120.570 -0.000 0.000 2.542 949 I HA 0.534 4.660 4.170 -0.073 0.000 0.278 949 I C 0.263 176.387 176.117 0.011 0.000 1.069 949 I CA -0.675 60.631 61.300 0.010 0.000 1.100 949 I CB 1.220 39.224 38.000 0.007 0.000 1.204 949 I HN 0.966 nan 8.210 nan 0.000 0.470 950 G N 4.186 112.995 108.800 0.016 0.000 2.471 950 G HA2 0.413 4.329 3.960 -0.073 0.000 0.332 950 G HA3 0.413 4.329 3.960 -0.073 0.000 0.332 950 G C 0.890 175.805 174.900 0.026 0.000 1.176 950 G CA -0.467 44.642 45.100 0.015 0.000 0.949 950 G HN 0.332 nan 8.290 nan 0.000 0.488 951 I N 0.418 121.003 120.570 0.026 0.000 2.194 951 I HA -0.134 3.992 4.170 -0.073 0.000 0.246 951 I C 1.793 177.937 176.117 0.045 0.000 1.093 951 I CA 1.353 62.676 61.300 0.037 0.000 1.355 951 I CB -0.346 37.674 38.000 0.033 0.000 1.046 951 I HN 0.428 nan 8.210 nan 0.000 0.413 952 D N 0.758 121.177 120.400 0.032 0.000 2.407 952 D HA -0.134 4.462 4.640 -0.073 0.000 0.234 952 D C 1.431 177.758 176.300 0.045 0.000 1.029 952 D CA 0.509 54.527 54.000 0.029 0.000 0.937 952 D CB -0.072 40.730 40.800 0.004 0.000 0.882 952 D HN 0.401 nan 8.370 nan 0.000 0.531 953 D N 0.506 120.947 120.400 0.069 0.000 2.162 953 D HA 0.005 4.601 4.640 -0.073 0.000 0.205 953 D C 0.856 177.280 176.300 0.206 0.000 0.964 953 D CA 0.416 54.485 54.000 0.115 0.000 0.847 953 D CB 0.082 40.934 40.800 0.087 0.000 0.988 953 D HN 0.044 nan 8.370 nan 0.000 0.480 954 A N 1.633 124.556 122.820 0.171 0.000 2.376 954 A HA 0.389 4.665 4.320 -0.073 0.000 0.298 954 A C 0.037 177.729 177.584 0.179 0.000 1.271 954 A CA -0.253 51.918 52.037 0.224 0.000 0.926 954 A CB 0.119 19.214 19.000 0.159 0.000 1.141 954 A HN -0.062 nan 8.150 nan 0.000 0.539 955 V N 4.820 124.847 119.914 0.187 0.000 2.481 955 V HA 0.379 4.455 4.120 -0.073 0.000 0.286 955 V C 0.313 176.371 176.094 -0.059 0.000 1.042 955 V CA -0.407 61.908 62.300 0.025 0.000 0.928 955 V CB 1.154 32.965 31.823 -0.020 0.000 0.986 955 V HN 0.727 nan 8.190 nan 0.000 0.462 956 I N 2.803 123.353 120.570 -0.032 0.000 2.359 956 I HA 0.611 4.737 4.170 -0.073 0.000 0.294 956 I C -2.557 173.510 176.117 -0.083 0.000 0.987 956 I CA -2.275 58.996 61.300 -0.047 0.000 1.225 956 I CB 1.264 39.259 38.000 -0.009 0.000 1.366 956 I HN 0.366 nan 8.210 nan 0.000 0.466 957 P HA 0.156 nan 4.420 nan 0.000 0.275 957 P C 0.265 177.520 177.300 -0.074 0.000 1.227 957 P CA -0.232 62.791 63.100 -0.128 0.000 0.781 957 P CB 1.008 32.612 31.700 -0.160 0.000 0.906 958 E N 2.145 122.312 120.200 -0.056 0.000 2.333 958 E HA -0.177 4.129 4.350 -0.073 0.000 0.198 958 E C 0.794 177.403 176.600 0.014 0.000 1.007 958 E CA 0.849 57.240 56.400 -0.015 0.000 0.845 958 E CB -0.160 29.534 29.700 -0.009 0.000 0.766 958 E HN 0.416 nan 8.360 nan 0.000 0.507 959 E N 0.198 120.396 120.200 -0.004 0.000 2.301 959 E HA -0.040 4.266 4.350 -0.073 0.000 0.195 959 E C 0.964 177.569 176.600 0.009 0.000 1.171 959 E CA 0.100 56.545 56.400 0.075 0.000 1.142 959 E CB 0.333 30.098 29.700 0.108 0.000 1.218 959 E HN 0.203 nan 8.360 nan 0.000 0.448 960 K N 2.117 122.525 120.400 0.015 0.000 2.161 960 K HA -0.051 4.225 4.320 -0.073 0.000 0.205 960 K C 2.014 178.680 176.600 0.109 0.000 1.035 960 K CA 0.642 56.942 56.287 0.023 0.000 0.970 960 K CB 0.120 32.619 32.500 -0.001 0.000 0.866 960 K HN 0.065 nan 8.250 nan 0.000 0.461 961 K N 0.690 121.141 120.400 0.085 0.000 2.286 961 K HA -0.210 4.066 4.320 -0.073 0.000 0.203 961 K C 1.840 178.509 176.600 0.114 0.000 1.045 961 K CA 1.538 57.879 56.287 0.090 0.000 0.935 961 K CB -0.094 32.442 32.500 0.061 0.000 0.737 961 K HN 0.233 nan 8.250 nan 0.000 0.460 962 Q N 0.188 120.082 119.800 0.157 0.000 1.937 962 Q HA -0.089 4.207 4.340 -0.073 0.000 0.198 962 Q C 1.877 177.982 176.000 0.175 0.000 0.977 962 Q CA 1.474 57.371 55.803 0.157 0.000 0.836 962 Q CB -0.320 28.547 28.738 0.215 0.000 0.899 962 Q HN 0.328 nan 8.270 nan 0.000 0.437 963 Y N 0.973 121.280 120.300 0.012 0.000 2.283 963 Y HA -0.249 4.257 4.550 -0.073 0.000 0.285 963 Y C 1.989 177.902 175.900 0.020 0.000 1.176 963 Y CA 0.979 59.083 58.100 0.007 0.000 1.229 963 Y CB -0.379 38.097 38.460 0.026 0.000 0.975 963 Y HN 0.161 nan 8.280 nan 0.000 0.537 964 L N -0.940 120.425 121.223 0.237 0.000 2.049 964 L HA -0.135 4.161 4.340 -0.073 0.000 0.203 964 L C 2.555 179.505 176.870 0.132 0.000 1.074 964 L CA 1.351 56.329 54.840 0.230 0.000 0.749 964 L CB -0.351 41.846 42.059 0.229 0.000 0.907 964 L HN 0.077 nan 8.230 nan 0.000 0.439 965 E N 0.846 121.102 120.200 0.094 0.000 2.017 965 E HA -0.291 4.015 4.350 -0.073 0.000 0.193 965 E C 1.914 178.511 176.600 -0.005 0.000 0.997 965 E CA 1.714 58.143 56.400 0.049 0.000 0.804 965 E CB -0.182 29.542 29.700 0.040 0.000 0.757 965 E HN 0.336 nan 8.360 nan 0.000 0.448 966 E N -0.573 119.608 120.200 -0.032 0.000 2.147 966 E HA -0.251 4.055 4.350 -0.073 0.000 0.199 966 E C 1.481 178.009 176.600 -0.121 0.000 1.005 966 E CA 1.366 57.716 56.400 -0.084 0.000 0.810 966 E CB -0.251 29.372 29.700 -0.129 0.000 0.736 966 E HN 0.295 nan 8.360 nan 0.000 0.460 967 A N 0.206 122.936 122.820 -0.150 0.000 2.218 967 A HA -0.058 4.217 4.320 -0.073 0.000 0.209 967 A C 1.698 179.119 177.584 -0.272 0.000 1.168 967 A CA 0.738 52.600 52.037 -0.291 0.000 0.804 967 A CB 0.078 18.787 19.000 -0.486 0.000 0.834 967 A HN 0.255 nan 8.150 nan 0.000 0.482 968 D N 0.820 121.159 120.400 -0.102 0.000 2.183 968 D HA -0.114 4.482 4.640 -0.073 0.000 0.205 968 D C 2.227 178.510 176.300 -0.029 0.000 0.962 968 D CA 1.203 55.197 54.000 -0.010 0.000 0.849 968 D CB 0.016 40.850 40.800 0.058 0.000 0.978 968 D HN 0.669 nan 8.370 nan 0.000 0.488 969 R N 0.677 121.149 120.500 -0.048 0.000 2.075 969 R HA 0.040 4.336 4.340 -0.073 0.000 0.226 969 R C 2.232 178.494 176.300 -0.064 0.000 1.114 969 R CA 0.728 56.803 56.100 -0.043 0.000 0.972 969 R CB -0.451 29.825 30.300 -0.041 0.000 0.869 969 R HN -0.090 nan 8.270 nan 0.000 0.437 970 K N 0.737 121.076 120.400 -0.102 0.000 2.360 970 K HA -0.103 4.173 4.320 -0.073 0.000 0.201 970 K C 1.858 178.392 176.600 -0.111 0.000 1.046 970 K CA 0.762 56.981 56.287 -0.114 0.000 0.945 970 K CB 0.022 32.431 32.500 -0.153 0.000 0.750 970 K HN 0.226 nan 8.250 nan 0.000 0.464 971 L N 1.046 122.200 121.223 -0.114 0.000 2.084 971 L HA -0.041 4.255 4.340 -0.073 0.000 0.202 971 L C 2.076 178.934 176.870 -0.019 0.000 1.074 971 L CA 1.122 55.914 54.840 -0.079 0.000 0.757 971 L CB -0.532 41.491 42.059 -0.060 0.000 0.918 971 L HN 0.222 nan 8.230 nan 0.000 0.444 972 L N -0.481 120.737 121.223 -0.008 0.000 2.013 972 L HA -0.308 3.988 4.340 -0.073 0.000 0.212 972 L C 2.403 179.279 176.870 0.011 0.000 1.073 972 L CA 2.074 56.922 54.840 0.013 0.000 0.753 972 L CB -0.695 41.370 42.059 0.010 0.000 0.890 972 L HN 0.444 nan 8.230 nan 0.000 0.432 973 Q N 0.267 120.060 119.800 -0.012 0.000 2.096 973 Q HA -0.270 4.026 4.340 -0.073 0.000 0.208 973 Q C 2.309 178.309 176.000 0.001 0.000 0.993 973 Q CA 2.596 58.389 55.803 -0.017 0.000 0.862 973 Q CB -0.479 28.234 28.738 -0.042 0.000 0.915 973 Q HN 0.664 nan 8.270 nan 0.000 0.416 974 I N 0.809 121.380 120.570 0.002 0.000 2.118 974 I HA -0.286 3.840 4.170 -0.073 0.000 0.241 974 I C 2.091 178.266 176.117 0.096 0.000 1.070 974 I CA 1.365 62.684 61.300 0.032 0.000 1.327 974 I CB -0.382 37.626 38.000 0.014 0.000 1.034 974 I HN 0.293 nan 8.210 nan 0.000 0.405 975 E N 0.095 120.351 120.200 0.093 0.000 2.472 975 E HA -0.228 4.078 4.350 -0.073 0.000 0.200 975 E C 1.989 178.701 176.600 0.186 0.000 1.046 975 E CA 0.686 57.177 56.400 0.152 0.000 0.871 975 E CB 0.130 29.886 29.700 0.093 0.000 0.806 975 E HN 0.510 nan 8.360 nan 0.000 0.533 976 Q N -0.171 119.701 119.800 0.120 0.000 2.107 976 Q HA 0.072 4.367 4.340 -0.073 0.000 0.195 976 Q C 1.905 177.980 176.000 0.124 0.000 0.964 976 Q CA 1.141 57.004 55.803 0.101 0.000 0.833 976 Q CB -0.050 28.716 28.738 0.048 0.000 0.910 976 Q HN 0.192 nan 8.270 nan 0.000 0.465 977 A N -0.728 122.149 122.820 0.096 0.000 2.259 977 A HA -0.159 4.117 4.320 -0.073 0.000 0.212 977 A C 1.421 179.133 177.584 0.214 0.000 1.178 977 A CA 1.073 53.171 52.037 0.102 0.000 0.734 977 A CB -0.433 18.575 19.000 0.013 0.000 0.774 977 A HN 0.528 nan 8.150 nan 0.000 0.481 978 Y N -0.976 119.388 120.300 0.108 0.000 2.594 978 Y HA 0.154 4.660 4.550 -0.073 0.000 0.283 978 Y C 2.027 177.982 175.900 0.092 0.000 1.140 978 Y CA 0.898 59.058 58.100 0.100 0.000 1.261 978 Y CB -0.105 38.401 38.460 0.075 0.000 1.358 978 Y HN 0.343 nan 8.280 nan 0.000 0.513 979 E N 0.254 120.555 120.200 0.168 0.000 2.114 979 E HA -0.242 4.064 4.350 -0.073 0.000 0.199 979 E C 1.828 178.409 176.600 -0.032 0.000 1.008 979 E CA 2.259 58.707 56.400 0.081 0.000 0.810 979 E CB -0.069 29.706 29.700 0.126 0.000 0.739 979 E HN 0.363 nan 8.360 nan 0.000 0.456 980 M N -1.266 118.356 119.600 0.036 0.000 2.101 980 M HA 0.032 4.468 4.480 -0.073 0.000 0.259 980 M C 2.068 178.308 176.300 -0.100 0.000 1.083 980 M CA 2.152 57.474 55.300 0.037 0.000 1.114 980 M CB -0.830 31.916 32.600 0.243 0.000 1.281 980 M HN 0.441 nan 8.290 nan 0.000 0.422 981 G N -2.957 105.779 108.800 -0.106 0.000 4.362 981 G HA2 -0.045 3.871 3.960 -0.073 0.000 0.220 981 G HA3 -0.045 3.871 3.960 -0.073 0.000 0.220 981 G C 0.710 175.497 174.900 -0.188 0.000 0.795 981 G CA -0.349 44.616 45.100 -0.225 0.000 0.920 981 G HN 0.267 nan 8.290 nan 0.000 0.715 982 F N 1.199 121.106 119.950 -0.071 0.000 2.134 982 F HA 0.292 4.775 4.527 -0.073 0.000 0.299 982 F C 1.532 177.326 175.800 -0.011 0.000 1.097 982 F CA 1.055 59.036 58.000 -0.031 0.000 1.264 982 F CB -0.056 38.936 39.000 -0.013 0.000 1.001 982 F HN 0.040 nan 8.300 nan 0.000 0.479 983 L N -1.023 120.316 121.223 0.194 0.000 2.352 983 L HA 0.400 4.696 4.340 -0.073 0.000 0.269 983 L C 0.414 177.364 176.870 0.134 0.000 1.034 983 L CA -0.713 54.225 54.840 0.164 0.000 0.806 983 L CB 1.304 43.487 42.059 0.207 0.000 1.244 983 L HN -0.269 nan 8.230 nan 0.000 0.447 984 T N -1.315 113.323 114.554 0.140 0.000 2.899 984 T HA 0.087 4.393 4.350 -0.073 0.000 0.284 984 T C 0.651 175.492 174.700 0.235 0.000 1.004 984 T CA -0.303 61.879 62.100 0.136 0.000 1.043 984 T CB 1.086 70.009 68.868 0.093 0.000 1.013 984 T HN 0.672 nan 8.240 nan 0.000 0.518 985 D N 0.878 121.433 120.400 0.258 0.000 2.133 985 D HA -0.085 4.511 4.640 -0.073 0.000 0.195 985 D C 2.119 178.514 176.300 0.159 0.000 0.997 985 D CA 1.199 55.362 54.000 0.272 0.000 0.840 985 D CB 0.043 40.954 40.800 0.185 0.000 0.947 985 D HN 0.399 nan 8.370 nan 0.000 0.452 986 R N 0.848 121.424 120.500 0.128 0.000 2.092 986 R HA -0.043 4.253 4.340 -0.073 0.000 0.231 986 R C 1.762 178.169 176.300 0.178 0.000 1.119 986 R CA 1.319 57.495 56.100 0.127 0.000 0.970 986 R CB -0.125 30.228 30.300 0.087 0.000 0.864 986 R HN 0.210 nan 8.270 nan 0.000 0.440 987 E N -0.258 120.034 120.200 0.154 0.000 2.152 987 E HA -0.145 4.161 4.350 -0.073 0.000 0.192 987 E C 1.866 178.553 176.600 0.145 0.000 0.983 987 E CA 0.590 57.072 56.400 0.136 0.000 0.818 987 E CB -0.125 29.648 29.700 0.121 0.000 0.758 987 E HN 0.159 nan 8.360 nan 0.000 0.467 988 R N 0.713 121.323 120.500 0.184 0.000 2.080 988 R HA -0.212 4.084 4.340 -0.073 0.000 0.236 988 R C 2.135 178.509 176.300 0.123 0.000 1.137 988 R CA 1.621 57.810 56.100 0.148 0.000 0.943 988 R CB -0.783 29.570 30.300 0.088 0.000 0.846 988 R HN 0.275 nan 8.270 nan 0.000 0.431 989 Y N 2.544 122.848 120.300 0.007 0.000 2.070 989 Y HA -0.239 4.267 4.550 -0.073 0.000 0.280 989 Y C 1.983 177.903 175.900 0.033 0.000 1.148 989 Y CA 2.336 60.442 58.100 0.010 0.000 1.125 989 Y CB -0.559 37.903 38.460 0.004 0.000 0.975 989 Y HN 0.212 nan 8.280 nan 0.000 0.492 990 D N -0.469 119.920 120.400 -0.018 0.000 2.178 990 D HA -0.197 4.399 4.640 -0.073 0.000 0.201 990 D C 1.970 178.216 176.300 -0.090 0.000 0.980 990 D CA 1.412 55.338 54.000 -0.123 0.000 0.842 990 D CB -0.228 40.585 40.800 0.022 0.000 0.948 990 D HN 0.414 nan 8.370 nan 0.000 0.472 991 Q N 0.910 120.694 119.800 -0.027 0.000 2.030 991 Q HA -0.111 4.185 4.340 -0.073 0.000 0.204 991 Q C 2.246 178.208 176.000 -0.063 0.000 0.986 991 Q CA 0.995 56.782 55.803 -0.027 0.000 0.843 991 Q CB -0.249 28.494 28.738 0.009 0.000 0.904 991 Q HN 0.330 nan 8.270 nan 0.000 0.420 992 I N -0.266 120.268 120.570 -0.062 0.000 2.045 992 I HA -0.346 3.780 4.170 -0.073 0.000 0.233 992 I C 2.144 178.235 176.117 -0.043 0.000 1.048 992 I CA 1.303 62.573 61.300 -0.049 0.000 1.313 992 I CB -0.671 37.345 38.000 0.026 0.000 1.043 992 I HN 0.243 nan 8.210 nan 0.000 0.393 993 L N 0.267 121.426 121.223 -0.107 0.000 2.040 993 L HA -0.360 3.936 4.340 -0.073 0.000 0.228 993 L C 2.713 179.574 176.870 -0.015 0.000 1.092 993 L CA 2.021 56.821 54.840 -0.066 0.000 0.805 993 L CB -1.049 40.853 42.059 -0.263 0.000 0.905 993 L HN 0.408 nan 8.230 nan 0.000 0.443 994 Q N 0.395 120.155 119.800 -0.067 0.000 2.028 994 Q HA -0.294 4.002 4.340 -0.073 0.000 0.213 994 Q C 1.991 177.963 176.000 -0.047 0.000 1.017 994 Q CA 2.617 58.393 55.803 -0.046 0.000 0.875 994 Q CB -0.843 27.863 28.738 -0.053 0.000 0.962 994 Q HN 0.385 nan 8.270 nan 0.000 0.413 995 L N -0.466 120.695 121.223 -0.103 0.000 1.957 995 L HA -0.199 4.097 4.340 -0.073 0.000 0.228 995 L C 2.043 178.798 176.870 -0.193 0.000 1.086 995 L CA 2.663 57.380 54.840 -0.206 0.000 0.796 995 L CB -1.282 40.570 42.059 -0.346 0.000 0.900 995 L HN 0.556 nan 8.230 nan 0.000 0.439 996 W N -0.043 121.243 121.300 -0.023 0.000 2.298 996 W HA -0.308 4.307 4.660 -0.074 0.000 0.328 996 W C 2.598 179.113 176.519 -0.008 0.000 1.259 996 W CA 2.258 59.597 57.345 -0.011 0.000 1.251 996 W CB -1.266 28.184 29.460 -0.017 0.000 1.161 996 W HN 0.178 nan 8.180 nan 0.000 0.466 997 T N 0.389 115.083 114.554 0.233 0.000 2.774 997 T HA -0.326 3.980 4.350 -0.073 0.000 0.264 997 T C 1.147 175.904 174.700 0.095 0.000 1.037 997 T CA 2.146 64.322 62.100 0.127 0.000 1.152 997 T CB -0.425 68.483 68.868 0.067 0.000 0.842 997 T HN 0.396 nan 8.240 nan 0.000 0.483 998 E N -0.107 120.133 120.200 0.068 0.000 2.102 998 E HA -0.008 4.298 4.350 -0.073 0.000 0.190 998 E C 2.540 179.189 176.600 0.082 0.000 0.971 998 E CA 0.979 57.406 56.400 0.045 0.000 0.821 998 E CB -0.213 29.486 29.700 -0.001 0.000 0.777 998 E HN 0.311 nan 8.360 nan 0.000 0.460 999 T N 0.917 115.528 114.554 0.094 0.000 2.708 999 T HA -0.151 4.155 4.350 -0.073 0.000 0.266 999 T C 1.986 176.823 174.700 0.228 0.000 1.037 999 T CA 1.784 63.981 62.100 0.161 0.000 1.146 999 T CB -0.392 68.535 68.868 0.097 0.000 0.865 999 T HN 0.170 nan 8.240 nan 0.000 0.435 1000 T N 1.869 116.572 114.554 0.248 0.000 2.555 1000 T HA -0.162 4.144 4.350 -0.073 0.000 0.264 1000 T C 1.934 176.693 174.700 0.099 0.000 1.083 1000 T CA 1.360 63.562 62.100 0.169 0.000 1.179 1000 T CB -0.439 68.510 68.868 0.136 0.000 0.863 1000 T HN 0.297 nan 8.240 nan 0.000 0.412 1001 E N 1.451 121.700 120.200 0.082 0.000 2.086 1001 E HA -0.209 4.097 4.350 -0.073 0.000 0.200 1001 E C 2.171 178.798 176.600 0.045 0.000 1.012 1001 E CA 1.541 57.968 56.400 0.045 0.000 0.812 1001 E CB -0.238 29.486 29.700 0.039 0.000 0.743 1001 E HN 0.435 nan 8.360 nan 0.000 0.453 1002 K N 0.012 120.466 120.400 0.090 0.000 2.015 1002 K HA -0.189 4.087 4.320 -0.073 0.000 0.216 1002 K C 2.291 178.871 176.600 -0.033 0.000 1.052 1002 K CA 2.264 58.623 56.287 0.120 0.000 0.937 1002 K CB -0.629 32.074 32.500 0.338 0.000 0.719 1002 K HN 0.259 nan 8.250 nan 0.000 0.446 1003 V N -0.683 119.173 119.914 -0.096 0.000 2.594 1003 V HA -0.191 3.885 4.120 -0.073 0.000 0.253 1003 V C 1.927 177.986 176.094 -0.057 0.000 1.069 1003 V CA 2.169 64.348 62.300 -0.202 0.000 1.082 1003 V CB -1.075 30.669 31.823 -0.131 0.000 0.680 1003 V HN 0.215 nan 8.190 nan 0.000 0.469 1004 T N 0.312 114.866 114.554 0.001 0.000 2.699 1004 T HA -0.307 3.999 4.350 -0.073 0.000 0.268 1004 T C 1.881 176.609 174.700 0.046 0.000 1.036 1004 T CA 2.438 64.564 62.100 0.043 0.000 1.147 1004 T CB -0.345 68.515 68.868 -0.013 0.000 0.862 1004 T HN 0.721 nan 8.240 nan 0.000 0.446 1005 Q N 0.184 119.977 119.800 -0.012 0.000 2.172 1005 Q HA 0.031 4.327 4.340 -0.073 0.000 0.200 1005 Q C 2.481 178.516 176.000 0.058 0.000 0.964 1005 Q CA 0.951 56.761 55.803 0.012 0.000 0.855 1005 Q CB -0.226 28.510 28.738 -0.003 0.000 0.918 1005 Q HN 0.549 nan 8.270 nan 0.000 0.444 1006 A N 0.635 123.429 122.820 -0.042 0.000 1.851 1006 A HA -0.202 4.074 4.320 -0.073 0.000 0.216 1006 A C 2.224 179.786 177.584 -0.037 0.000 1.195 1006 A CA 2.075 54.043 52.037 -0.116 0.000 0.622 1006 A CB -1.459 17.335 19.000 -0.343 0.000 0.831 1006 A HN 0.464 nan 8.150 nan 0.000 0.444 1007 V N -2.926 117.005 119.914 0.029 0.000 2.252 1007 V HA -0.294 3.782 4.120 -0.073 0.000 0.249 1007 V C 2.240 178.437 176.094 0.171 0.000 1.056 1007 V CA 2.530 64.870 62.300 0.067 0.000 1.022 1007 V CB -1.409 30.538 31.823 0.207 0.000 0.641 1007 V HN 0.353 nan 8.190 nan 0.000 0.445 1008 F N 1.304 121.330 119.950 0.127 0.000 2.095 1008 F HA -0.090 4.394 4.527 -0.072 0.000 0.298 1008 F C 2.705 178.529 175.800 0.039 0.000 1.104 1008 F CA 2.502 60.615 58.000 0.188 0.000 1.232 1008 F CB -0.690 38.407 39.000 0.162 0.000 0.987 1008 F HN 0.174 nan 8.300 nan 0.000 0.475 1009 K N 0.142 120.638 120.400 0.160 0.000 2.097 1009 K HA -0.232 4.044 4.320 -0.073 0.000 0.206 1009 K C 2.144 178.673 176.600 -0.117 0.000 1.049 1009 K CA 1.339 57.640 56.287 0.024 0.000 0.933 1009 K CB -0.255 32.252 32.500 0.012 0.000 0.717 1009 K HN 0.095 nan 8.250 nan 0.000 0.442 1010 N N 0.400 118.977 118.700 -0.205 0.000 2.061 1010 N HA -0.184 4.512 4.740 -0.073 0.000 0.193 1010 N C 1.605 176.807 175.510 -0.514 0.000 1.030 1010 N CA 1.487 54.296 53.050 -0.402 0.000 0.856 1010 N CB -0.313 37.861 38.487 -0.521 0.000 1.023 1010 N HN 0.097 nan 8.380 nan 0.000 0.424 1011 F N 1.765 121.456 119.950 -0.432 0.000 2.046 1011 F HA -0.107 4.374 4.527 -0.076 0.000 0.297 1011 F C 2.644 178.042 175.800 -0.671 0.000 1.123 1011 F CA 1.493 59.117 58.000 -0.627 0.000 1.199 1011 F CB -0.990 37.364 39.000 -1.076 0.000 0.972 1011 F HN 0.212 nan 8.300 nan 0.000 0.474 1012 E N 0.366 120.311 120.200 -0.425 0.000 2.086 1012 E HA -0.257 4.049 4.350 -0.073 0.000 0.200 1012 E C 1.901 178.440 176.600 -0.102 0.000 1.012 1012 E CA 2.002 58.292 56.400 -0.183 0.000 0.812 1012 E CB -0.140 29.560 29.700 -0.000 0.000 0.743 1012 E HN 0.539 nan 8.360 nan 0.000 0.453 1013 E N -0.554 119.566 120.200 -0.133 0.000 2.102 1013 E HA -0.042 4.264 4.350 -0.073 0.000 0.190 1013 E C 1.699 178.219 176.600 -0.134 0.000 0.971 1013 E CA 0.568 56.901 56.400 -0.112 0.000 0.821 1013 E CB 0.039 29.674 29.700 -0.109 0.000 0.777 1013 E HN 0.324 nan 8.360 nan 0.000 0.460 1014 N N -0.247 118.301 118.700 -0.253 0.000 2.414 1014 N HA -0.006 4.690 4.740 -0.073 0.000 0.177 1014 N C 0.125 175.624 175.510 -0.018 0.000 1.062 1014 N CA 0.602 53.483 53.050 -0.283 0.000 0.890 1014 N CB 0.424 38.526 38.487 -0.640 0.000 1.070 1014 N HN 0.160 nan 8.380 nan 0.000 0.454 1015 Y N 0.407 120.685 120.300 -0.036 0.000 2.658 1015 Y HA 0.354 4.858 4.550 -0.076 0.000 0.273 1015 Y C -1.739 174.234 175.900 0.123 0.000 0.992 1015 Y CA -2.812 55.330 58.100 0.069 0.000 1.105 1015 Y CB 0.083 38.611 38.460 0.114 0.000 1.188 1015 Y HN -0.060 nan 8.280 nan 0.000 0.616 1016 P HA -0.267 nan 4.420 nan 0.000 0.219 1016 P C 0.760 178.178 177.300 0.197 0.000 1.147 1016 P CA 1.727 64.890 63.100 0.105 0.000 0.821 1016 P CB 0.007 31.617 31.700 -0.151 0.000 0.771 1017 F N -0.938 119.207 119.950 0.325 0.000 2.668 1017 F HA 0.184 4.657 4.527 -0.089 0.000 0.297 1017 F C 1.372 177.333 175.800 0.269 0.000 1.124 1017 F CA -0.998 57.174 58.000 0.286 0.000 1.353 1017 F CB -0.150 38.979 39.000 0.214 0.000 0.992 1017 F HN -0.105 nan 8.300 nan 0.000 0.524 1018 N N 1.662 120.649 118.700 0.477 0.000 2.508 1018 N HA 0.047 4.743 4.740 -0.073 0.000 0.264 1018 N C -1.954 173.694 175.510 0.229 0.000 1.216 1018 N CA -1.285 51.978 53.050 0.355 0.000 0.943 1018 N CB 1.598 40.394 38.487 0.515 0.000 1.113 1018 N HN -0.074 nan 8.380 nan 0.000 0.447 1019 P HA -0.097 nan 4.420 nan 0.000 0.210 1019 P C 1.665 178.957 177.300 -0.012 0.000 1.191 1019 P CA 0.699 63.843 63.100 0.072 0.000 0.917 1019 P CB 0.153 31.884 31.700 0.052 0.000 0.778 1020 L N -1.835 119.362 121.223 -0.042 0.000 2.034 1020 L HA -0.249 4.047 4.340 -0.073 0.000 0.217 1020 L C 2.510 179.211 176.870 -0.282 0.000 1.077 1020 L CA 1.946 56.705 54.840 -0.135 0.000 0.769 1020 L CB -1.493 40.500 42.059 -0.110 0.000 0.890 1020 L HN -0.008 nan 8.230 nan 0.000 0.435 1021 Y N -1.014 118.899 120.300 -0.646 0.000 2.114 1021 Y HA -0.291 4.212 4.550 -0.078 0.000 0.284 1021 Y C 2.397 178.098 175.900 -0.331 0.000 1.143 1021 Y CA 1.990 59.652 58.100 -0.731 0.000 1.135 1021 Y CB -0.129 37.817 38.460 -0.857 0.000 0.980 1021 Y HN -0.034 nan 8.280 nan 0.000 0.499 1022 V N 0.992 120.771 119.914 -0.224 0.000 2.469 1022 V HA -0.393 3.683 4.120 -0.073 0.000 0.251 1022 V C 2.196 178.083 176.094 -0.344 0.000 1.064 1022 V CA 2.295 64.443 62.300 -0.253 0.000 1.066 1022 V CB -0.690 31.194 31.823 0.101 0.000 0.667 1022 V HN 0.542 nan 8.190 nan 0.000 0.461 1023 M N -0.210 119.260 119.600 -0.218 0.000 2.200 1023 M HA -0.048 4.388 4.480 -0.073 0.000 0.265 1023 M C 2.420 178.601 176.300 -0.198 0.000 1.066 1023 M CA 1.876 57.072 55.300 -0.173 0.000 1.127 1023 M CB -0.556 31.989 32.600 -0.093 0.000 1.379 1023 M HN 0.371 nan 8.290 nan 0.000 0.420 1024 A N 0.121 122.808 122.820 -0.222 0.000 1.855 1024 A HA -0.160 4.116 4.320 -0.073 0.000 0.215 1024 A C 2.182 179.644 177.584 -0.204 0.000 1.191 1024 A CA 1.269 53.205 52.037 -0.168 0.000 0.613 1024 A CB -0.596 18.306 19.000 -0.164 0.000 0.829 1024 A HN 0.422 nan 8.150 nan 0.000 0.442 1025 Q N 0.727 120.290 119.800 -0.395 0.000 2.050 1025 Q HA -0.080 4.216 4.340 -0.073 0.000 0.202 1025 Q C 1.479 177.284 176.000 -0.324 0.000 0.980 1025 Q CA 1.332 56.903 55.803 -0.387 0.000 0.840 1025 Q CB -0.674 27.692 28.738 -0.621 0.000 0.898 1025 Q HN 0.743 nan 8.270 nan 0.000 0.424 1026 S N -1.108 114.277 115.700 -0.526 0.000 2.632 1026 S HA 0.376 4.802 4.470 -0.073 0.000 0.267 1026 S C 1.399 175.879 174.600 -0.200 0.000 1.276 1026 S CA -0.292 57.654 58.200 -0.424 0.000 0.998 1026 S CB 1.151 63.904 63.200 -0.745 0.000 0.953 1026 S HN 0.317 nan 8.310 nan 0.000 0.547 1027 G N 1.166 109.914 108.800 -0.087 0.000 2.547 1027 G HA2 -0.118 3.798 3.960 -0.073 0.000 0.221 1027 G HA3 -0.118 3.798 3.960 -0.073 0.000 0.221 1027 G C 1.416 176.294 174.900 -0.036 0.000 1.140 1027 G CA 1.572 46.653 45.100 -0.032 0.000 0.760 1027 G HN 1.427 nan 8.290 nan 0.000 0.583 1028 A N -0.228 122.563 122.820 -0.047 0.000 2.444 1028 A HA -0.257 4.019 4.320 -0.073 0.000 0.267 1028 A C 1.368 178.946 177.584 -0.009 0.000 2.810 1028 A CA 2.406 54.426 52.037 -0.029 0.000 1.029 1028 A CB -0.533 18.420 19.000 -0.078 0.000 0.520 1028 A HN 0.592 nan 8.150 nan 0.000 0.443 1029 R N -1.879 118.603 120.500 -0.030 0.000 2.678 1029 R HA 0.473 4.769 4.340 -0.073 0.000 0.267 1029 R C -0.851 175.436 176.300 -0.022 0.000 1.173 1029 R CA 0.449 56.543 56.100 -0.010 0.000 1.061 1029 R CB 1.368 31.670 30.300 0.004 0.000 1.262 1029 R HN 1.960 nan 8.270 nan 0.000 0.427 1030 G N 2.821 111.621 108.800 -0.001 0.000 2.046 1030 G HA2 -0.008 3.908 3.960 -0.073 0.000 0.245 1030 G HA3 -0.008 3.908 3.960 -0.073 0.000 0.245 1030 G C -2.071 172.860 174.900 0.052 0.000 1.723 1030 G CA -0.872 44.235 45.100 0.012 0.000 0.909 1030 G HN 0.379 nan 8.290 nan 0.000 0.737 1031 N N 2.903 121.650 118.700 0.078 0.000 2.400 1031 N HA 0.534 5.230 4.740 -0.073 0.000 0.288 1031 N C -1.489 174.118 175.510 0.162 0.000 1.024 1031 N CA -2.113 50.994 53.050 0.095 0.000 0.894 1031 N CB 2.873 41.401 38.487 0.069 0.000 1.173 1031 N HN 0.061 nan 8.380 nan 0.000 0.487 1032 P HA -0.124 nan 4.420 nan 0.000 0.215 1032 P C 0.853 178.252 177.300 0.164 0.000 1.157 1032 P CA 1.332 64.557 63.100 0.208 0.000 0.874 1032 P CB 0.362 31.997 31.700 -0.108 0.000 0.790 1033 Q N -0.859 118.990 119.800 0.082 0.000 2.508 1033 Q HA -0.149 4.147 4.340 -0.073 0.000 0.214 1033 Q C 1.880 177.940 176.000 0.100 0.000 0.979 1033 Q CA 1.267 57.112 55.803 0.071 0.000 0.911 1033 Q CB -0.412 28.351 28.738 0.042 0.000 0.969 1033 Q HN 0.511 nan 8.270 nan 0.000 0.504 1034 Q N -0.960 118.918 119.800 0.130 0.000 2.304 1034 Q HA 0.070 4.366 4.340 -0.073 0.000 0.204 1034 Q C 1.889 177.988 176.000 0.165 0.000 0.936 1034 Q CA 0.016 55.900 55.803 0.136 0.000 0.878 1034 Q CB 0.392 29.195 28.738 0.108 0.000 0.983 1034 Q HN 0.225 nan 8.270 nan 0.000 0.516 1035 I N 1.043 121.734 120.570 0.201 0.000 2.163 1035 I HA -0.303 3.823 4.170 -0.073 0.000 0.243 1035 I C 2.367 178.618 176.117 0.223 0.000 1.085 1035 I CA 1.537 62.962 61.300 0.209 0.000 1.347 1035 I CB -0.968 37.180 38.000 0.247 0.000 1.044 1035 I HN 0.299 nan 8.210 nan 0.000 0.408 1036 R N 0.742 121.383 120.500 0.236 0.000 2.112 1036 R HA -0.227 4.069 4.340 -0.073 0.000 0.242 1036 R C 2.289 178.642 176.300 0.089 0.000 1.137 1036 R CA 1.748 57.944 56.100 0.159 0.000 0.944 1036 R CB -0.105 30.263 30.300 0.113 0.000 0.857 1036 R HN 0.466 nan 8.270 nan 0.000 0.435 1037 Q N 0.311 120.161 119.800 0.083 0.000 2.077 1037 Q HA -0.212 4.084 4.340 -0.073 0.000 0.206 1037 Q C 2.381 178.416 176.000 0.058 0.000 0.989 1037 Q CA 1.791 57.607 55.803 0.022 0.000 0.853 1037 Q CB -0.328 28.495 28.738 0.142 0.000 0.907 1037 Q HN 0.414 nan 8.270 nan 0.000 0.418 1038 L N -0.227 121.109 121.223 0.189 0.000 1.976 1038 L HA -0.258 4.038 4.340 -0.073 0.000 0.209 1038 L C 2.786 179.736 176.870 0.134 0.000 1.071 1038 L CA 1.678 56.645 54.840 0.211 0.000 0.746 1038 L CB -0.674 41.499 42.059 0.189 0.000 0.890 1038 L HN 0.303 nan 8.230 nan 0.000 0.432 1039 C N -1.094 118.281 119.300 0.126 0.000 2.823 1039 C HA 0.259 4.675 4.460 -0.073 0.000 0.284 1039 C C 2.691 177.710 174.990 0.049 0.000 1.358 1039 C CA -0.205 58.871 59.018 0.096 0.000 1.697 1039 C CB -1.626 26.195 27.740 0.135 0.000 2.137 1039 C HN 0.569 nan 8.230 nan 0.000 0.564 1040 G N 1.400 110.234 108.800 0.056 0.000 2.736 1040 G HA2 0.215 4.131 3.960 -0.073 0.000 0.214 1040 G HA3 0.215 4.131 3.960 -0.073 0.000 0.214 1040 G C 0.294 175.187 174.900 -0.012 0.000 1.327 1040 G CA 1.752 46.864 45.100 0.021 0.000 0.818 1040 G HN 1.057 nan 8.290 nan 0.000 0.611 1041 L N -3.365 117.839 121.223 -0.031 0.000 3.076 1041 L HA 0.448 4.744 4.340 -0.073 0.000 0.240 1041 L C -1.128 175.668 176.870 -0.123 0.000 0.982 1041 L CA -1.129 53.652 54.840 -0.099 0.000 1.030 1041 L CB 1.363 43.367 42.059 -0.092 0.000 1.560 1041 L HN 0.436 nan 8.230 nan 0.000 0.432 1042 R N 1.180 121.552 120.500 -0.214 0.000 3.436 1042 R HA 0.500 4.796 4.340 -0.073 0.000 0.247 1042 R C 0.381 176.551 176.300 -0.216 0.000 1.434 1042 R CA -0.027 55.946 56.100 -0.212 0.000 1.543 1042 R CB 0.743 30.843 30.300 -0.335 0.000 1.289 1042 R HN 0.831 nan 8.270 nan 0.000 0.664 1043 G N 1.841 110.530 108.800 -0.185 0.000 3.496 1043 G HA2 0.221 4.137 3.960 -0.073 0.000 0.273 1043 G HA3 0.221 4.137 3.960 -0.073 0.000 0.273 1043 G C -0.072 174.682 174.900 -0.245 0.000 1.279 1043 G CA -0.235 44.707 45.100 -0.263 0.000 1.041 1043 G HN 0.542 nan 8.290 nan 0.000 0.539 1044 L N 0.913 122.043 121.223 -0.156 0.000 2.346 1044 L HA 0.198 4.494 4.340 -0.073 0.000 0.260 1044 L C -0.590 176.263 176.870 -0.028 0.000 1.382 1044 L CA -0.570 54.218 54.840 -0.087 0.000 0.807 1044 L CB 0.537 42.575 42.059 -0.036 0.000 0.957 1044 L HN 0.045 nan 8.230 nan 0.000 0.524 1045 M N 0.998 120.568 119.600 -0.051 0.000 2.114 1045 M HA 0.415 4.851 4.480 -0.073 0.000 0.280 1045 M C 0.168 176.569 176.300 0.168 0.000 1.209 1045 M CA 0.054 55.353 55.300 -0.001 0.000 1.044 1045 M CB 0.788 33.338 32.600 -0.083 0.000 1.404 1045 M HN 0.436 nan 8.290 nan 0.000 0.499 1046 Q N -0.336 119.594 119.800 0.216 0.000 2.484 1046 Q HA 0.592 4.888 4.340 -0.073 0.000 0.285 1046 Q C -1.287 174.885 176.000 0.287 0.000 1.097 1046 Q CA -1.132 54.863 55.803 0.320 0.000 0.802 1046 Q CB 2.122 30.917 28.738 0.096 0.000 1.444 1046 Q HN 0.454 nan 8.270 nan 0.000 0.429 1047 K N 0.247 120.679 120.400 0.052 0.000 2.132 1047 K HA 0.149 4.424 4.320 -0.073 0.000 0.240 1047 K C -1.788 174.658 176.600 -0.257 0.000 1.036 1047 K CA -1.420 54.728 56.287 -0.231 0.000 0.888 1047 K CB -0.002 32.230 32.500 -0.446 0.000 1.071 1047 K HN 0.339 nan 8.250 nan 0.000 0.502 1048 P HA -0.241 nan 4.420 nan 0.000 0.215 1048 P C 1.235 178.431 177.300 -0.173 0.000 1.153 1048 P CA 1.540 64.540 63.100 -0.167 0.000 0.853 1048 P CB 0.044 31.687 31.700 -0.097 0.000 0.788 1049 S N -1.180 114.422 115.700 -0.162 0.000 2.456 1049 S HA -0.156 4.270 4.470 -0.073 0.000 0.232 1049 S C 1.938 176.411 174.600 -0.211 0.000 1.046 1049 S CA 1.897 60.026 58.200 -0.118 0.000 1.175 1049 S CB -1.578 61.552 63.200 -0.115 0.000 1.129 1049 S HN 0.321 nan 8.310 nan 0.000 0.420 1050 G N 0.982 109.647 108.800 -0.225 0.000 3.655 1050 G HA2 -0.005 3.911 3.960 -0.073 0.000 0.219 1050 G HA3 -0.005 3.911 3.960 -0.073 0.000 0.219 1050 G C -0.341 174.502 174.900 -0.096 0.000 0.933 1050 G CA -0.062 44.864 45.100 -0.292 0.000 0.856 1050 G HN 0.732 nan 8.290 nan 0.000 0.523 1051 E N 2.918 123.081 120.200 -0.062 0.000 2.159 1051 E HA 0.389 4.695 4.350 -0.073 0.000 0.272 1051 E C 0.677 177.275 176.600 -0.003 0.000 1.138 1051 E CA 0.253 56.648 56.400 -0.009 0.000 0.915 1051 E CB 0.271 29.921 29.700 -0.083 0.000 1.028 1051 E HN 0.329 nan 8.360 nan 0.000 0.423 1052 T N 1.692 116.310 114.554 0.107 0.000 2.856 1052 T HA -0.057 4.249 4.350 -0.073 0.000 0.329 1052 T C 0.020 174.829 174.700 0.181 0.000 1.094 1052 T CA -0.366 61.821 62.100 0.146 0.000 1.112 1052 T CB 0.132 69.082 68.868 0.137 0.000 1.009 1052 T HN 0.336 nan 8.240 nan 0.000 0.550 1053 F N 1.292 121.289 119.950 0.079 0.000 2.496 1053 F HA 0.252 4.735 4.527 -0.073 0.000 0.344 1053 F C 1.834 177.713 175.800 0.133 0.000 1.155 1053 F CA -0.154 57.899 58.000 0.090 0.000 1.302 1053 F CB 0.644 39.666 39.000 0.037 0.000 1.159 1053 F HN 0.888 nan 8.300 nan 0.000 0.595 1054 E N 0.671 121.066 120.200 0.325 0.000 2.158 1054 E HA 0.007 4.313 4.350 -0.073 0.000 0.191 1054 E C -0.349 176.373 176.600 0.203 0.000 0.982 1054 E CA 0.365 56.932 56.400 0.278 0.000 0.823 1054 E CB 0.363 30.219 29.700 0.261 0.000 0.766 1054 E HN 0.330 nan 8.360 nan 0.000 0.468 1055 V N 2.354 122.391 119.914 0.205 0.000 2.432 1055 V HA 0.315 4.391 4.120 -0.073 0.000 0.275 1055 V C -2.223 173.803 176.094 -0.114 0.000 1.043 1055 V CA -1.868 60.467 62.300 0.059 0.000 0.925 1055 V CB 0.854 32.728 31.823 0.086 0.000 0.985 1055 V HN 0.050 nan 8.190 nan 0.000 0.466 1056 P HA 0.318 nan 4.420 nan 0.000 0.277 1056 P C -0.327 176.728 177.300 -0.408 0.000 1.271 1056 P CA -0.383 62.368 63.100 -0.581 0.000 0.795 1056 P CB 0.710 31.601 31.700 -1.349 0.000 1.101 1057 V N 2.193 121.880 119.914 -0.377 0.000 2.622 1057 V HA 0.108 4.184 4.120 -0.073 0.000 0.296 1057 V C 1.603 177.531 176.094 -0.276 0.000 1.174 1057 V CA -0.278 61.850 62.300 -0.286 0.000 1.391 1057 V CB -0.483 31.179 31.823 -0.268 0.000 1.553 1057 V HN 0.519 nan 8.190 nan 0.000 0.581 1058 R N 0.575 120.900 120.500 -0.292 0.000 2.259 1058 R HA -0.211 4.085 4.340 -0.073 0.000 0.247 1058 R C 1.278 177.487 176.300 -0.151 0.000 1.114 1058 R CA 1.742 57.715 56.100 -0.212 0.000 0.926 1058 R CB -1.001 29.218 30.300 -0.134 0.000 0.937 1058 R HN 0.574 nan 8.270 nan 0.000 0.434 1059 S N 0.563 116.182 115.700 -0.135 0.000 2.537 1059 S HA 0.004 4.430 4.470 -0.073 0.000 0.280 1059 S C 0.708 175.202 174.600 -0.177 0.000 1.335 1059 S CA 0.314 58.441 58.200 -0.120 0.000 1.025 1059 S CB 0.465 63.603 63.200 -0.103 0.000 0.836 1059 S HN 0.530 nan 8.310 nan 0.000 0.523 1060 S N 0.411 116.028 115.700 -0.139 0.000 2.677 1060 S HA 0.615 5.041 4.470 -0.073 0.000 0.304 1060 S C 0.248 174.769 174.600 -0.132 0.000 1.108 1060 S CA -0.826 57.272 58.200 -0.169 0.000 0.944 1060 S CB 0.410 63.579 63.200 -0.051 0.000 1.127 1060 S HN 0.392 nan 8.310 nan 0.000 0.511 1061 F N 0.732 120.675 119.950 -0.012 0.000 2.451 1061 F HA 0.137 4.620 4.527 -0.074 0.000 0.299 1061 F C 2.638 178.444 175.800 0.011 0.000 1.101 1061 F CA 0.430 58.424 58.000 -0.010 0.000 1.436 1061 F CB -0.363 38.628 39.000 -0.014 0.000 1.074 1061 F HN 0.543 nan 8.300 nan 0.000 0.553 1062 R N 1.187 121.788 120.500 0.167 0.000 2.062 1062 R HA -0.095 4.201 4.340 -0.073 0.000 0.231 1062 R C 1.032 177.384 176.300 0.087 0.000 1.136 1062 R CA 1.106 57.275 56.100 0.116 0.000 0.948 1062 R CB -0.458 29.896 30.300 0.089 0.000 0.845 1062 R HN 0.358 nan 8.270 nan 0.000 0.430 1063 E N -1.592 118.644 120.200 0.060 0.000 2.602 1063 E HA 0.257 4.563 4.350 -0.073 0.000 0.255 1063 E C -0.363 176.273 176.600 0.061 0.000 1.268 1063 E CA -0.206 56.223 56.400 0.049 0.000 1.007 1063 E CB 0.566 30.283 29.700 0.028 0.000 1.208 1063 E HN 0.307 nan 8.360 nan 0.000 0.584 1064 G N 2.032 110.865 108.800 0.056 0.000 2.924 1064 G HA2 0.093 4.009 3.960 -0.073 0.000 0.273 1064 G HA3 0.093 4.009 3.960 -0.073 0.000 0.273 1064 G C -0.002 174.941 174.900 0.072 0.000 0.734 1064 G CA -0.258 44.887 45.100 0.074 0.000 2.065 1064 G HN 0.379 nan 8.290 nan 0.000 0.580 1065 L N 3.861 125.125 121.223 0.069 0.000 3.027 1065 L HA -0.008 4.288 4.340 -0.073 0.000 0.300 1065 L C 1.475 178.408 176.870 0.104 0.000 0.991 1065 L CA 0.151 55.005 54.840 0.022 0.000 1.110 1065 L CB -1.679 40.361 42.059 -0.033 0.000 1.587 1065 L HN 0.531 nan 8.230 nan 0.000 0.419 1066 T N 1.467 116.056 114.554 0.059 0.000 2.608 1066 T HA -0.044 4.262 4.350 -0.073 0.000 0.368 1066 T C 1.509 176.283 174.700 0.123 0.000 1.072 1066 T CA 0.371 62.514 62.100 0.071 0.000 1.085 1066 T CB 0.140 69.025 68.868 0.029 0.000 1.006 1066 T HN 0.400 nan 8.240 nan 0.000 0.547 1067 V N 1.995 121.958 119.914 0.081 0.000 2.216 1067 V HA -0.104 3.972 4.120 -0.073 0.000 0.242 1067 V C 2.762 178.928 176.094 0.120 0.000 1.042 1067 V CA 2.030 64.376 62.300 0.076 0.000 0.991 1067 V CB -1.243 30.590 31.823 0.016 0.000 0.633 1067 V HN 0.840 nan 8.190 nan 0.000 0.449 1068 L N -0.381 120.884 121.223 0.069 0.000 2.265 1068 L HA -0.161 4.135 4.340 -0.073 0.000 0.215 1068 L C 2.509 179.439 176.870 0.100 0.000 1.117 1068 L CA 1.644 56.536 54.840 0.087 0.000 0.782 1068 L CB -0.380 41.696 42.059 0.028 0.000 0.914 1068 L HN 0.392 nan 8.230 nan 0.000 0.441 1069 E N -1.530 118.705 120.200 0.057 0.000 2.072 1069 E HA -0.251 4.055 4.350 -0.073 0.000 0.190 1069 E C 1.866 178.479 176.600 0.022 0.000 0.982 1069 E CA 1.190 57.582 56.400 -0.014 0.000 0.803 1069 E CB -0.165 29.508 29.700 -0.045 0.000 0.755 1069 E HN 0.525 nan 8.360 nan 0.000 0.453 1070 Y N 0.486 120.777 120.300 -0.014 0.000 2.114 1070 Y HA -0.262 4.244 4.550 -0.073 0.000 0.284 1070 Y C 2.035 177.922 175.900 -0.022 0.000 1.143 1070 Y CA 1.555 59.655 58.100 -0.000 0.000 1.135 1070 Y CB -0.527 37.957 38.460 0.040 0.000 0.980 1070 Y HN 0.042 nan 8.280 nan 0.000 0.499 1071 F N -0.148 119.892 119.950 0.150 0.000 2.202 1071 F HA -0.241 4.242 4.527 -0.073 0.000 0.301 1071 F C 1.960 177.661 175.800 -0.166 0.000 1.082 1071 F CA 1.195 59.193 58.000 -0.004 0.000 1.313 1071 F CB -0.386 38.592 39.000 -0.037 0.000 1.024 1071 F HN 0.011 nan 8.300 nan 0.000 0.495 1072 I N 0.491 121.027 120.570 -0.057 0.000 2.226 1072 I HA -0.255 3.871 4.170 -0.073 0.000 0.245 1072 I C 2.748 178.677 176.117 -0.313 0.000 1.100 1072 I CA 1.809 62.947 61.300 -0.271 0.000 1.374 1072 I CB -1.720 36.042 38.000 -0.397 0.000 1.057 1072 I HN 0.334 nan 8.210 nan 0.000 0.413 1073 S N 0.227 115.777 115.700 -0.251 0.000 2.453 1073 S HA -0.144 4.282 4.470 -0.073 0.000 0.231 1073 S C 2.207 176.683 174.600 -0.206 0.000 1.005 1073 S CA 1.103 59.180 58.200 -0.206 0.000 0.949 1073 S CB -0.709 62.362 63.200 -0.215 0.000 0.774 1073 S HN 0.538 nan 8.310 nan 0.000 0.510 1074 S N 2.773 118.289 115.700 -0.307 0.000 2.368 1074 S HA -0.348 4.078 4.470 -0.073 0.000 0.226 1074 S C 1.913 176.342 174.600 -0.285 0.000 1.044 1074 S CA 1.604 59.613 58.200 -0.319 0.000 1.062 1074 S CB -1.319 61.572 63.200 -0.516 0.000 0.931 1074 S HN 0.708 nan 8.310 nan 0.000 0.440 1075 H N 1.360 120.285 119.070 -0.241 0.000 2.272 1075 H HA -0.135 4.377 4.556 -0.073 0.000 0.289 1075 H C 2.492 177.768 175.328 -0.087 0.000 1.100 1075 H CA 1.707 57.670 56.048 -0.141 0.000 1.209 1075 H CB -1.417 28.305 29.762 -0.066 0.000 1.348 1075 H HN 0.629 nan 8.280 nan 0.000 0.481 1076 G N 0.168 109.004 108.800 0.059 0.000 2.564 1076 G HA2 -0.054 3.862 3.960 -0.073 0.000 0.216 1076 G HA3 -0.054 3.862 3.960 -0.073 0.000 0.216 1076 G C 1.805 176.701 174.900 -0.005 0.000 1.124 1076 G CA 0.864 45.973 45.100 0.014 0.000 0.764 1076 G HN 0.572 nan 8.290 nan 0.000 0.550 1077 A N 1.458 124.264 122.820 -0.022 0.000 1.821 1077 A HA 0.036 4.312 4.320 -0.073 0.000 0.215 1077 A C 2.548 180.129 177.584 -0.004 0.000 1.214 1077 A CA 1.318 53.342 52.037 -0.021 0.000 0.608 1077 A CB -0.349 18.628 19.000 -0.037 0.000 0.862 1077 A HN 0.219 nan 8.150 nan 0.000 0.448 1078 R N 0.717 121.216 120.500 -0.002 0.000 2.091 1078 R HA -0.182 4.114 4.340 -0.073 0.000 0.238 1078 R C 2.162 178.474 176.300 0.021 0.000 1.136 1078 R CA 1.762 57.870 56.100 0.013 0.000 0.959 1078 R CB -1.047 29.265 30.300 0.020 0.000 0.856 1078 R HN 0.851 nan 8.270 nan 0.000 0.437 1079 K N 0.361 120.772 120.400 0.017 0.000 2.144 1079 K HA -0.159 4.117 4.320 -0.073 0.000 0.209 1079 K C 1.986 178.598 176.600 0.019 0.000 1.047 1079 K CA 2.096 58.387 56.287 0.007 0.000 0.927 1079 K CB -0.571 31.914 32.500 -0.024 0.000 0.716 1079 K HN 0.228 nan 8.250 nan 0.000 0.454 1080 G N -0.337 108.472 108.800 0.016 0.000 2.539 1080 G HA2 0.030 3.946 3.960 -0.073 0.000 0.215 1080 G HA3 0.030 3.946 3.960 -0.073 0.000 0.215 1080 G C 1.504 176.419 174.900 0.024 0.000 1.141 1080 G CA 0.295 45.407 45.100 0.021 0.000 0.806 1080 G HN 0.468 nan 8.290 nan 0.000 0.533 1081 G N 1.119 109.932 108.800 0.021 0.000 2.403 1081 G HA2 0.180 4.096 3.960 -0.073 0.000 0.216 1081 G HA3 0.180 4.096 3.960 -0.073 0.000 0.216 1081 G C 1.851 176.768 174.900 0.029 0.000 1.154 1081 G CA 1.422 46.535 45.100 0.022 0.000 0.784 1081 G HN 0.551 nan 8.290 nan 0.000 0.538 1082 A N 1.847 124.689 122.820 0.036 0.000 1.848 1082 A HA -0.085 4.191 4.320 -0.073 0.000 0.211 1082 A C 2.049 179.661 177.584 0.047 0.000 1.225 1082 A CA 1.998 54.062 52.037 0.044 0.000 0.637 1082 A CB -0.968 18.066 19.000 0.057 0.000 0.867 1082 A HN 0.254 nan 8.150 nan 0.000 0.463 1083 D N -0.318 120.118 120.400 0.060 0.000 2.347 1083 D HA -0.289 4.307 4.640 -0.073 0.000 0.189 1083 D C 2.157 178.484 176.300 0.044 0.000 1.020 1083 D CA 2.875 56.911 54.000 0.060 0.000 0.875 1083 D CB -1.225 39.619 40.800 0.072 0.000 0.928 1083 D HN 0.695 nan 8.370 nan 0.000 0.454 1084 T N -0.387 114.188 114.554 0.036 0.000 2.652 1084 T HA -0.112 4.194 4.350 -0.073 0.000 0.267 1084 T C 2.057 176.775 174.700 0.029 0.000 1.039 1084 T CA 1.962 64.079 62.100 0.029 0.000 1.153 1084 T CB -0.621 68.261 68.868 0.023 0.000 0.863 1084 T HN 0.215 nan 8.240 nan 0.000 0.428 1085 A N 0.273 123.111 122.820 0.030 0.000 2.248 1085 A HA 0.327 4.603 4.320 -0.073 0.000 0.210 1085 A C 2.095 179.702 177.584 0.038 0.000 1.174 1085 A CA 0.796 52.851 52.037 0.031 0.000 0.750 1085 A CB -0.687 18.330 19.000 0.029 0.000 0.780 1085 A HN 0.491 nan 8.150 nan 0.000 0.478 1086 L N -0.108 121.138 121.223 0.039 0.000 2.347 1086 L HA 0.136 4.432 4.340 -0.073 0.000 0.196 1086 L C 2.318 179.214 176.870 0.042 0.000 1.072 1086 L CA 1.615 56.480 54.840 0.041 0.000 0.817 1086 L CB -0.466 41.615 42.059 0.036 0.000 1.029 1086 L HN 0.475 nan 8.230 nan 0.000 0.478 1087 R N -1.605 118.917 120.500 0.036 0.000 2.328 1087 R HA -0.027 4.269 4.340 -0.073 0.000 0.207 1087 R C 1.132 177.456 176.300 0.040 0.000 1.056 1087 R CA 1.429 57.550 56.100 0.035 0.000 1.016 1087 R CB -1.117 29.197 30.300 0.023 0.000 0.872 1087 R HN 0.276 nan 8.270 nan 0.000 0.471 1088 T N 0.626 115.205 114.554 0.041 0.000 2.894 1088 T HA 0.132 4.438 4.350 -0.073 0.000 0.258 1088 T C 2.030 176.764 174.700 0.058 0.000 1.043 1088 T CA 0.867 62.991 62.100 0.040 0.000 1.141 1088 T CB 0.005 68.892 68.868 0.031 0.000 0.873 1088 T HN 0.442 nan 8.240 nan 0.000 0.449 1089 A N 2.697 125.561 122.820 0.073 0.000 1.821 1089 A HA -0.142 4.134 4.320 -0.073 0.000 0.215 1089 A C 2.069 179.762 177.584 0.181 0.000 1.214 1089 A CA 1.630 53.738 52.037 0.119 0.000 0.608 1089 A CB -0.994 18.082 19.000 0.126 0.000 0.862 1089 A HN 0.329 nan 8.150 nan 0.000 0.448 1090 D N -0.165 120.324 120.400 0.149 0.000 2.203 1090 D HA -0.169 4.427 4.640 -0.073 0.000 0.199 1090 D C 2.171 178.558 176.300 0.146 0.000 0.997 1090 D CA 1.574 55.650 54.000 0.127 0.000 0.863 1090 D CB -0.447 40.363 40.800 0.017 0.000 0.928 1090 D HN 0.428 nan 8.370 nan 0.000 0.458 1091 S N 0.211 115.975 115.700 0.106 0.000 2.378 1091 S HA -0.157 4.269 4.470 -0.073 0.000 0.221 1091 S C 2.172 176.835 174.600 0.105 0.000 1.037 1091 S CA 2.267 60.523 58.200 0.093 0.000 1.069 1091 S CB -0.800 62.438 63.200 0.064 0.000 1.006 1091 S HN 0.307 nan 8.310 nan 0.000 0.423 1092 G N 0.149 109.004 108.800 0.092 0.000 2.672 1092 G HA2 -0.311 3.605 3.960 -0.073 0.000 0.218 1092 G HA3 -0.311 3.605 3.960 -0.073 0.000 0.218 1092 G C 1.168 176.126 174.900 0.096 0.000 1.238 1092 G CA 1.377 46.514 45.100 0.060 0.000 0.791 1092 G HN 0.622 nan 8.290 nan 0.000 0.606 1093 Y N 0.357 120.662 120.300 0.009 0.000 2.024 1093 Y HA -0.336 4.170 4.550 -0.074 0.000 0.257 1093 Y C 2.808 178.720 175.900 0.019 0.000 1.233 1093 Y CA 2.279 60.390 58.100 0.018 0.000 1.087 1093 Y CB -0.605 37.873 38.460 0.031 0.000 0.905 1093 Y HN 0.237 nan 8.280 nan 0.000 0.503 1094 L N -0.432 120.941 121.223 0.250 0.000 2.013 1094 L HA -0.247 4.049 4.340 -0.073 0.000 0.212 1094 L C 2.193 179.090 176.870 0.045 0.000 1.073 1094 L CA 2.678 57.597 54.840 0.131 0.000 0.753 1094 L CB -1.020 41.102 42.059 0.104 0.000 0.890 1094 L HN 0.257 nan 8.230 nan 0.000 0.432 1095 T N -0.577 113.999 114.554 0.036 0.000 2.977 1095 T HA -0.190 4.116 4.350 -0.073 0.000 0.271 1095 T C 1.918 176.610 174.700 -0.014 0.000 1.105 1095 T CA 1.410 63.505 62.100 -0.007 0.000 1.116 1095 T CB -0.340 68.531 68.868 0.005 0.000 0.878 1095 T HN 0.392 nan 8.240 nan 0.000 0.509 1096 R N 1.163 121.663 120.500 0.001 0.000 2.062 1096 R HA 0.007 4.303 4.340 -0.073 0.000 0.226 1096 R C 2.277 178.585 176.300 0.014 0.000 1.125 1096 R CA 1.084 57.171 56.100 -0.023 0.000 0.966 1096 R CB -0.020 30.244 30.300 -0.060 0.000 0.861 1096 R HN 0.268 nan 8.270 nan 0.000 0.433 1097 K N 0.364 120.802 120.400 0.062 0.000 2.059 1097 K HA -0.198 4.078 4.320 -0.073 0.000 0.212 1097 K C 2.066 178.697 176.600 0.053 0.000 1.050 1097 K CA 1.618 57.967 56.287 0.104 0.000 0.927 1097 K CB -0.275 32.294 32.500 0.115 0.000 0.714 1097 K HN 0.053 nan 8.250 nan 0.000 0.447 1098 L N 0.559 121.763 121.223 -0.032 0.000 1.990 1098 L HA -0.210 4.086 4.340 -0.073 0.000 0.213 1098 L C 2.301 179.167 176.870 -0.007 0.000 1.072 1098 L CA 1.544 56.332 54.840 -0.087 0.000 0.755 1098 L CB -0.876 41.072 42.059 -0.185 0.000 0.889 1098 L HN -0.006 nan 8.230 nan 0.000 0.432 1099 V N -0.613 119.306 119.914 0.009 0.000 2.594 1099 V HA -0.257 3.819 4.120 -0.073 0.000 0.253 1099 V C 2.040 178.230 176.094 0.159 0.000 1.069 1099 V CA 1.577 63.907 62.300 0.051 0.000 1.082 1099 V CB -0.783 31.045 31.823 0.009 0.000 0.680 1099 V HN 0.388 nan 8.190 nan 0.000 0.469 1100 D N 0.576 121.064 120.400 0.147 0.000 2.097 1100 D HA -0.101 4.495 4.640 -0.073 0.000 0.197 1100 D C 1.804 178.283 176.300 0.299 0.000 0.984 1100 D CA 1.214 55.368 54.000 0.257 0.000 0.826 1100 D CB -0.246 40.706 40.800 0.253 0.000 0.973 1100 D HN 0.358 nan 8.370 nan 0.000 0.460 1101 V N 0.185 120.207 119.914 0.180 0.000 3.636 1101 V HA 0.047 4.123 4.120 -0.073 0.000 0.279 1101 V C 1.258 177.371 176.094 0.032 0.000 1.263 1101 V CA 1.089 63.458 62.300 0.115 0.000 1.182 1101 V CB -0.324 31.566 31.823 0.113 0.000 0.955 1101 V HN 0.181 nan 8.190 nan 0.000 0.443 1102 T N -1.561 113.004 114.554 0.019 0.000 3.115 1102 T HA 0.064 4.370 4.350 -0.073 0.000 0.256 1102 T C 1.771 176.408 174.700 -0.105 0.000 0.970 1102 T CA 0.463 62.544 62.100 -0.032 0.000 1.010 1102 T CB -0.128 68.750 68.868 0.017 0.000 1.151 1102 T HN 0.657 nan 8.240 nan 0.000 0.479 1103 H N 3.596 122.662 119.070 -0.008 0.000 2.273 1103 H HA -0.289 4.223 4.556 -0.073 0.000 0.284 1103 H C 1.824 177.133 175.328 -0.031 0.000 1.113 1103 H CA 2.315 58.348 56.048 -0.025 0.000 1.169 1103 H CB -1.188 28.553 29.762 -0.035 0.000 1.349 1103 H HN 0.639 nan 8.280 nan 0.000 0.484 1104 E N 1.571 121.432 120.200 -0.565 0.000 2.444 1104 E HA -0.136 4.170 4.350 -0.073 0.000 0.205 1104 E C 0.310 176.831 176.600 -0.133 0.000 1.054 1104 E CA 0.699 56.916 56.400 -0.306 0.000 0.873 1104 E CB -0.243 29.169 29.700 -0.480 0.000 0.793 1104 E HN 0.378 nan 8.360 nan 0.000 0.549 1105 I N 2.425 122.940 120.570 -0.092 0.000 2.379 1105 I HA 0.141 4.267 4.170 -0.073 0.000 0.290 1105 I C -0.165 175.937 176.117 -0.026 0.000 1.063 1105 I CA -0.512 60.772 61.300 -0.027 0.000 1.351 1105 I CB 0.730 38.724 38.000 -0.011 0.000 1.410 1105 I HN -0.065 nan 8.210 nan 0.000 0.505 1106 V N 6.806 126.709 119.914 -0.018 0.000 2.808 1106 V HA 0.285 4.361 4.120 -0.073 0.000 0.308 1106 V C -0.002 176.059 176.094 -0.056 0.000 1.099 1106 V CA -0.932 61.346 62.300 -0.037 0.000 0.920 1106 V CB 2.511 34.326 31.823 -0.014 0.000 1.014 1106 V HN 0.338 nan 8.190 nan 0.000 0.425 1107 V N 5.875 125.731 119.914 -0.097 0.000 2.400 1107 V HA 0.233 4.309 4.120 -0.073 0.000 0.263 1107 V C 0.482 176.520 176.094 -0.093 0.000 1.026 1107 V CA 0.207 62.436 62.300 -0.118 0.000 1.077 1107 V CB -0.530 31.196 31.823 -0.162 0.000 1.054 1107 V HN 0.911 nan 8.190 nan 0.000 0.477 1108 R N 4.003 124.446 120.500 -0.094 0.000 2.575 1108 R HA 0.732 5.028 4.340 -0.073 0.000 0.292 1108 R C -0.805 175.408 176.300 -0.145 0.000 1.246 1108 R CA -0.800 55.226 56.100 -0.124 0.000 0.973 1108 R CB 1.825 32.090 30.300 -0.057 0.000 1.187 1108 R HN 0.702 nan 8.270 nan 0.000 0.478 1109 E N 2.153 122.221 120.200 -0.220 0.000 2.425 1109 E HA 0.781 5.087 4.350 -0.073 0.000 0.272 1109 E C -1.798 174.695 176.600 -0.178 0.000 1.061 1109 E CA -0.935 55.367 56.400 -0.163 0.000 0.877 1109 E CB 1.194 30.837 29.700 -0.094 0.000 1.590 1109 E HN 0.578 nan 8.360 nan 0.000 0.462 1110 A N 0.832 123.593 122.820 -0.098 0.000 2.515 1110 A HA 0.544 4.820 4.320 -0.073 0.000 0.298 1110 A C -1.394 176.171 177.584 -0.032 0.000 1.059 1110 A CA -0.442 51.557 52.037 -0.062 0.000 0.698 1110 A CB 1.048 20.021 19.000 -0.044 0.000 1.289 1110 A HN 0.794 nan 8.150 nan 0.000 0.404 1111 D N 1.493 121.886 120.400 -0.012 0.000 2.497 1111 D HA 0.036 4.632 4.640 -0.073 0.000 0.285 1111 D C 0.484 176.782 176.300 -0.003 0.000 1.452 1111 D CA 0.072 54.071 54.000 -0.001 0.000 1.132 1111 D CB -1.178 39.627 40.800 0.007 0.000 1.132 1111 D HN 0.418 nan 8.370 nan 0.000 0.555 1112 C N 2.298 121.595 119.300 -0.006 0.000 2.674 1112 C HA 0.276 4.692 4.460 -0.073 0.000 0.405 1112 C C 2.162 177.154 174.990 0.004 0.000 1.285 1112 C CA 0.294 59.310 59.018 -0.004 0.000 1.845 1112 C CB 0.148 27.886 27.740 -0.003 0.000 2.689 1112 C HN 0.798 nan 8.230 nan 0.000 0.643 1113 G N 0.603 109.408 108.800 0.007 0.000 2.662 1113 G HA2 -0.016 3.900 3.960 -0.073 0.000 0.212 1113 G HA3 -0.016 3.900 3.960 -0.073 0.000 0.212 1113 G C 0.781 175.694 174.900 0.022 0.000 1.141 1113 G CA 0.215 45.323 45.100 0.013 0.000 0.797 1113 G HN 0.762 nan 8.290 nan 0.000 0.531 1114 T N 2.911 117.478 114.554 0.022 0.000 3.415 1114 T HA 0.048 4.354 4.350 -0.073 0.000 0.205 1114 T C 1.739 176.466 174.700 0.045 0.000 0.860 1114 T CA 0.983 63.101 62.100 0.030 0.000 3.029 1114 T CB -0.834 68.049 68.868 0.025 0.000 1.004 1114 T HN 0.412 nan 8.240 nan 0.000 0.456 1115 T N -0.296 114.291 114.554 0.056 0.000 3.570 1115 T HA -0.025 4.281 4.350 -0.073 0.000 0.258 1115 T C 0.697 175.490 174.700 0.156 0.000 1.178 1115 T CA -0.396 61.760 62.100 0.092 0.000 1.002 1115 T CB -0.643 68.276 68.868 0.085 0.000 0.993 1115 T HN 0.341 nan 8.240 nan 0.000 0.567 1116 N N 2.132 120.888 118.700 0.092 0.000 2.371 1116 N HA 0.477 5.173 4.740 -0.073 0.000 0.243 1116 N C -0.431 175.158 175.510 0.132 0.000 1.287 1116 N CA -0.214 52.858 53.050 0.037 0.000 0.911 1116 N CB 0.223 38.704 38.487 -0.009 0.000 1.142 1116 N HN 0.679 nan 8.380 nan 0.000 0.451 1117 Y N -1.891 118.411 120.300 0.004 0.000 2.764 1117 Y HA 0.635 5.141 4.550 -0.073 0.000 0.331 1117 Y C -1.475 174.426 175.900 0.002 0.000 1.280 1117 Y CA -1.284 56.814 58.100 -0.003 0.000 1.065 1117 Y CB 0.805 39.259 38.460 -0.010 0.000 1.319 1117 Y HN 0.411 nan 8.280 nan 0.000 0.453 1118 I N 0.607 121.346 120.570 0.281 0.000 2.957 1118 I HA 0.670 4.796 4.170 -0.073 0.000 0.310 1118 I C -1.033 175.252 176.117 0.280 0.000 1.063 1118 I CA -0.941 60.450 61.300 0.150 0.000 1.033 1118 I CB 2.292 40.340 38.000 0.079 0.000 1.230 1118 I HN 0.733 nan 8.210 nan 0.000 0.447 1119 S N 4.024 119.830 115.700 0.177 0.000 2.520 1119 S HA 0.347 4.773 4.470 -0.073 0.000 0.324 1119 S C -0.647 174.002 174.600 0.082 0.000 1.069 1119 S CA -0.448 57.850 58.200 0.164 0.000 1.121 1119 S CB 1.172 64.475 63.200 0.172 0.000 0.971 1119 S HN 0.351 nan 8.310 nan 0.000 0.463 1120 V N 7.168 127.112 119.914 0.051 0.000 2.397 1120 V HA 0.168 4.244 4.120 -0.073 0.000 0.262 1120 V C -2.081 174.011 176.094 -0.003 0.000 1.047 1120 V CA -1.536 60.771 62.300 0.012 0.000 1.003 1120 V CB 0.175 31.993 31.823 -0.008 0.000 1.037 1120 V HN 0.590 nan 8.190 nan 0.000 0.480 1121 P HA 0.124 nan 4.420 nan 0.000 0.269 1121 P C 0.005 177.242 177.300 -0.105 0.000 1.215 1121 P CA -0.102 62.995 63.100 -0.005 0.000 0.780 1121 P CB 0.604 32.318 31.700 0.024 0.000 0.898 1122 L N 1.592 122.685 121.223 -0.216 0.000 3.229 1122 L HA 0.414 4.710 4.340 -0.073 0.000 0.286 1122 L C -0.755 175.460 176.870 -1.093 0.000 1.239 1122 L CA 0.479 54.946 54.840 -0.623 0.000 1.035 1122 L CB -0.219 41.366 42.059 -0.791 0.000 1.408 1122 L HN 0.268 nan 8.230 nan 0.000 0.593 1123 F N -0.789 119.165 119.950 0.007 0.000 2.665 1123 F HA 0.522 5.005 4.527 -0.073 0.000 0.308 1123 F C -0.442 175.365 175.800 0.011 0.000 1.112 1123 F CA -1.114 56.890 58.000 0.008 0.000 0.972 1123 F CB 1.640 40.645 39.000 0.008 0.000 1.295 1123 F HN -0.062 nan 8.300 nan 0.000 0.440 1124 Q N 1.647 121.567 119.800 0.201 0.000 2.356 1124 Q HA 0.652 4.948 4.340 -0.073 0.000 0.270 1124 Q C -2.850 173.212 176.000 0.103 0.000 1.058 1124 Q CA -1.967 53.907 55.803 0.119 0.000 0.802 1124 Q CB 2.976 31.758 28.738 0.075 0.000 1.303 1124 Q HN 0.265 nan 8.270 nan 0.000 0.444 1125 P HA 0.120 nan 4.420 nan 0.000 0.245 1125 P C -0.982 176.344 177.300 0.043 0.000 1.203 1125 P CA 0.584 63.717 63.100 0.054 0.000 0.792 1125 P CB 0.411 32.140 31.700 0.047 0.000 0.997 1126 D N -1.000 119.427 120.400 0.045 0.000 2.780 1126 D HA 0.310 4.906 4.640 -0.073 0.000 0.242 1126 D C 0.322 176.643 176.300 0.035 0.000 1.135 1126 D CA -0.549 53.473 54.000 0.037 0.000 0.859 1126 D CB 1.607 42.428 40.800 0.035 0.000 1.530 1126 D HN -0.188 nan 8.370 nan 0.000 0.493 1127 E N 1.860 122.077 120.200 0.029 0.000 2.088 1127 E HA -0.020 4.286 4.350 -0.073 0.000 0.273 1127 E C -0.847 175.766 176.600 0.022 0.000 1.066 1127 E CA 0.036 56.451 56.400 0.026 0.000 1.989 1127 E CB 0.208 29.924 29.700 0.027 0.000 3.119 1127 E HN 0.233 nan 8.360 nan 0.000 1.067 1128 V N 3.442 123.368 119.914 0.021 0.000 2.169 1128 V HA 0.178 4.254 4.120 -0.073 0.000 0.271 1128 V C 0.915 177.018 176.094 0.016 0.000 1.372 1128 V CA 1.000 63.310 62.300 0.016 0.000 1.348 1128 V CB -0.647 31.185 31.823 0.015 0.000 1.379 1128 V HN 0.670 nan 8.190 nan 0.000 0.491 1129 T N 2.044 116.608 114.554 0.016 0.000 13.621 1129 T HA -0.362 3.944 4.350 -0.073 0.000 0.419 1129 T C 0.653 175.364 174.700 0.017 0.000 1.441 1129 T CA 2.360 64.469 62.100 0.016 0.000 2.349 1129 T CB -0.268 68.607 68.868 0.012 0.000 2.788 1129 T HN 0.658 nan 8.240 nan 0.000 0.506 1130 R N 1.093 121.602 120.500 0.015 0.000 2.575 1130 R HA 0.627 4.923 4.340 -0.073 0.000 0.293 1130 R C -1.429 174.876 176.300 0.009 0.000 0.983 1130 R CA 0.516 56.624 56.100 0.014 0.000 0.887 1130 R CB 1.840 32.148 30.300 0.013 0.000 1.184 1130 R HN 1.257 nan 8.270 nan 0.000 0.445 1131 S N 3.844 119.550 115.700 0.009 0.000 2.944 1131 S HA 0.103 4.529 4.470 -0.073 0.000 0.151 1131 S C -0.604 173.996 174.600 0.001 0.000 0.679 1131 S CA -0.905 57.295 58.200 -0.001 0.000 0.788 1131 S CB -1.096 62.105 63.200 0.001 0.000 1.439 1131 S HN 0.615 nan 8.310 nan 0.000 0.533 1132 L N 2.364 123.578 121.223 -0.015 0.000 2.749 1132 L HA -0.029 4.267 4.340 -0.073 0.000 0.313 1132 L C 0.876 177.756 176.870 0.015 0.000 1.251 1132 L CA 0.994 55.823 54.840 -0.019 0.000 0.867 1132 L CB 0.106 42.080 42.059 -0.142 0.000 1.122 1132 L HN 0.837 nan 8.230 nan 0.000 0.513 1133 R N 3.861 124.441 120.500 0.133 0.000 2.604 1133 R HA 0.386 4.682 4.340 -0.073 0.000 0.270 1133 R C -1.234 175.314 176.300 0.414 0.000 1.052 1133 R CA -0.955 55.263 56.100 0.196 0.000 0.902 1133 R CB 1.272 31.639 30.300 0.111 0.000 1.233 1133 R HN 0.583 nan 8.270 nan 0.000 0.455 1134 L N 4.297 125.764 121.223 0.407 0.000 2.485 1134 L HA 0.204 4.500 4.340 -0.073 0.000 0.275 1134 L C 0.283 177.170 176.870 0.027 0.000 1.207 1134 L CA 0.199 55.157 54.840 0.196 0.000 0.855 1134 L CB 0.423 42.553 42.059 0.118 0.000 1.114 1134 L HN 0.681 nan 8.230 nan 0.000 0.485 1135 R N 3.426 123.857 120.500 -0.114 0.000 2.707 1135 R HA 0.176 4.472 4.340 -0.073 0.000 0.270 1135 R C 0.029 176.295 176.300 -0.057 0.000 1.083 1135 R CA -0.669 55.389 56.100 -0.070 0.000 1.182 1135 R CB 0.483 30.718 30.300 -0.109 0.000 1.084 1135 R HN 0.541 nan 8.270 nan 0.000 0.528 1136 K N 0.811 121.191 120.400 -0.033 0.000 2.218 1136 K HA -0.135 4.141 4.320 -0.073 0.000 0.250 1136 K C 1.389 177.968 176.600 -0.036 0.000 1.024 1136 K CA 0.437 56.709 56.287 -0.024 0.000 0.842 1136 K CB 0.320 32.813 32.500 -0.012 0.000 1.041 1136 K HN 0.378 nan 8.250 nan 0.000 0.522 1137 R N 0.338 120.823 120.500 -0.024 0.000 2.062 1137 R HA -0.017 4.279 4.340 -0.073 0.000 0.226 1137 R C 2.127 178.424 176.300 -0.004 0.000 1.125 1137 R CA 1.496 57.584 56.100 -0.020 0.000 0.966 1137 R CB -0.807 29.483 30.300 -0.017 0.000 0.861 1137 R HN 0.663 nan 8.270 nan 0.000 0.433 1138 A N 1.528 124.348 122.820 0.001 0.000 1.858 1138 A HA -0.184 4.092 4.320 -0.073 0.000 0.216 1138 A C 1.546 179.115 177.584 -0.023 0.000 1.190 1138 A CA 1.876 53.915 52.037 0.004 0.000 0.617 1138 A CB -0.725 18.282 19.000 0.012 0.000 0.827 1138 A HN 0.206 nan 8.150 nan 0.000 0.443 1139 D N 0.237 120.618 120.400 -0.033 0.000 2.149 1139 D HA -0.189 4.407 4.640 -0.073 0.000 0.194 1139 D C 1.758 178.008 176.300 -0.084 0.000 1.001 1139 D CA 1.626 55.591 54.000 -0.058 0.000 0.849 1139 D CB -0.428 40.344 40.800 -0.047 0.000 0.939 1139 D HN 0.578 nan 8.370 nan 0.000 0.449 1140 I N 0.814 121.340 120.570 -0.073 0.000 2.546 1140 I HA -0.149 3.977 4.170 -0.073 0.000 0.255 1140 I C 2.170 178.249 176.117 -0.064 0.000 1.163 1140 I CA 0.703 61.954 61.300 -0.082 0.000 1.457 1140 I CB -0.216 37.731 38.000 -0.088 0.000 1.092 1140 I HN -0.005 nan 8.210 nan 0.000 0.434 1141 E N 1.613 121.787 120.200 -0.042 0.000 2.028 1141 E HA -0.127 4.179 4.350 -0.073 0.000 0.190 1141 E C 2.171 178.744 176.600 -0.044 0.000 0.984 1141 E CA 1.253 57.645 56.400 -0.013 0.000 0.800 1141 E CB -0.174 29.529 29.700 0.006 0.000 0.758 1141 E HN 0.448 nan 8.360 nan 0.000 0.448 1142 A N 0.827 123.557 122.820 -0.149 0.000 2.264 1142 A HA 0.039 4.315 4.320 -0.073 0.000 0.207 1142 A C 1.800 178.903 177.584 -0.802 0.000 1.196 1142 A CA 1.099 52.864 52.037 -0.454 0.000 0.778 1142 A CB -0.385 18.445 19.000 -0.284 0.000 0.779 1142 A HN 0.318 nan 8.150 nan 0.000 0.483 1143 G N -1.826 106.746 108.800 -0.380 0.000 2.833 1143 G HA2 0.336 4.252 3.960 -0.073 0.000 0.214 1143 G HA3 0.336 4.252 3.960 -0.073 0.000 0.214 1143 G C 0.970 175.840 174.900 -0.051 0.000 1.075 1143 G CA 0.267 45.228 45.100 -0.233 0.000 0.799 1143 G HN 0.361 nan 8.290 nan 0.000 0.541 1144 L N -0.729 120.493 121.223 -0.002 0.000 2.948 1144 L HA 0.367 4.663 4.340 -0.073 0.000 0.259 1144 L C 0.541 177.503 176.870 0.152 0.000 1.136 1144 L CA -0.538 54.337 54.840 0.058 0.000 0.959 1144 L CB 0.410 42.471 42.059 0.004 0.000 1.370 1144 L HN 0.239 nan 8.230 nan 0.000 0.552 1145 Y N 2.204 122.538 120.300 0.057 0.000 2.810 1145 Y HA 0.100 4.606 4.550 -0.073 0.000 0.332 1145 Y C 1.352 177.252 175.900 -0.001 0.000 1.243 1145 Y CA 0.328 58.443 58.100 0.025 0.000 1.537 1145 Y CB 0.609 39.113 38.460 0.074 0.000 1.265 1145 Y HN 0.271 nan 8.280 nan 0.000 0.572 1146 G N 5.909 114.784 108.800 0.125 0.000 2.371 1146 G HA2 -0.269 3.647 3.960 -0.073 0.000 0.299 1146 G HA3 -0.269 3.647 3.960 -0.073 0.000 0.299 1146 G C -0.195 174.669 174.900 -0.059 0.000 1.014 1146 G CA -0.105 44.851 45.100 -0.240 0.000 1.097 1146 G HN 0.592 nan 8.290 nan 0.000 0.512 1147 R N -1.320 119.151 120.500 -0.049 0.000 2.787 1147 R HA 0.646 4.942 4.340 -0.073 0.000 0.271 1147 R C -0.088 176.120 176.300 -0.153 0.000 0.993 1147 R CA -0.865 55.187 56.100 -0.081 0.000 0.993 1147 R CB 1.925 32.189 30.300 -0.059 0.000 1.155 1147 R HN 0.132 nan 8.270 nan 0.000 0.486 1148 V N 3.308 123.071 119.914 -0.252 0.000 2.394 1148 V HA 0.292 4.368 4.120 -0.073 0.000 0.282 1148 V C 0.753 176.717 176.094 -0.218 0.000 1.031 1148 V CA -0.788 61.288 62.300 -0.374 0.000 0.881 1148 V CB 1.434 32.926 31.823 -0.552 0.000 0.982 1148 V HN 0.498 nan 8.190 nan 0.000 0.451 1149 L N 3.794 124.906 121.223 -0.186 0.000 2.540 1149 L HA 0.068 4.364 4.340 -0.073 0.000 0.276 1149 L C 1.659 178.432 176.870 -0.163 0.000 1.212 1149 L CA 0.267 55.016 54.840 -0.151 0.000 0.893 1149 L CB 0.546 42.531 42.059 -0.123 0.000 1.138 1149 L HN 0.867 nan 8.230 nan 0.000 0.491 1150 A N 5.370 128.070 122.820 -0.200 0.000 2.016 1150 A HA 0.032 4.308 4.320 -0.073 0.000 0.217 1150 A C 0.676 178.116 177.584 -0.240 0.000 1.162 1150 A CA 0.773 52.668 52.037 -0.237 0.000 0.662 1150 A CB 0.020 18.755 19.000 -0.443 0.000 0.812 1150 A HN 0.830 nan 8.150 nan 0.000 0.450 1151 R N 0.058 120.419 120.500 -0.231 0.000 2.764 1151 R HA 0.264 4.560 4.340 -0.073 0.000 0.250 1151 R C -1.024 175.199 176.300 -0.129 0.000 1.122 1151 R CA -0.367 55.635 56.100 -0.164 0.000 1.022 1151 R CB 0.013 30.203 30.300 -0.183 0.000 1.266 1151 R HN 0.388 nan 8.270 nan 0.000 0.454 1152 E N 1.253 121.402 120.200 -0.085 0.000 2.785 1152 E HA 0.018 4.324 4.350 -0.073 0.000 0.285 1152 E C -0.799 175.763 176.600 -0.062 0.000 1.006 1152 E CA 0.006 56.368 56.400 -0.063 0.000 0.996 1152 E CB 0.418 30.093 29.700 -0.041 0.000 1.025 1152 E HN 0.315 nan 8.360 nan 0.000 0.467 1153 V N 2.534 122.419 119.914 -0.048 0.000 2.555 1153 V HA 0.129 4.205 4.120 -0.073 0.000 0.283 1153 V C -0.593 175.487 176.094 -0.024 0.000 1.020 1153 V CA -0.600 61.677 62.300 -0.038 0.000 0.883 1153 V CB 1.117 32.913 31.823 -0.045 0.000 1.030 1153 V HN 0.814 nan 8.190 nan 0.000 0.448 1154 E N 3.604 123.794 120.200 -0.017 0.000 2.152 1154 E HA 0.545 4.851 4.350 -0.073 0.000 0.285 1154 E C -0.562 176.035 176.600 -0.005 0.000 1.043 1154 E CA -0.140 56.254 56.400 -0.010 0.000 0.839 1154 E CB 1.469 31.165 29.700 -0.008 0.000 1.069 1154 E HN 0.447 nan 8.360 nan 0.000 0.399 1155 V N 4.388 124.300 119.914 -0.003 0.000 4.822 1155 V HA 0.068 4.144 4.120 -0.073 0.000 0.163 1155 V C 0.821 176.917 176.094 0.004 0.000 0.972 1155 V CA -0.457 61.844 62.300 0.002 0.000 1.430 1155 V CB -0.179 31.645 31.823 0.002 0.000 2.168 1155 V HN 0.638 nan 8.190 nan 0.000 0.434 1156 L N 2.036 123.262 121.223 0.004 0.000 2.803 1156 L HA 0.397 4.693 4.340 -0.073 0.000 0.241 1156 L C 1.380 178.252 176.870 0.003 0.000 1.404 1156 L CA 0.892 55.735 54.840 0.005 0.000 1.211 1156 L CB -0.764 41.298 42.059 0.005 0.000 1.585 1156 L HN 0.855 nan 8.230 nan 0.000 0.430 1157 G N -0.502 108.299 108.800 0.002 0.000 2.267 1157 G HA2 -0.262 3.654 3.960 -0.073 0.000 0.257 1157 G HA3 -0.262 3.654 3.960 -0.073 0.000 0.257 1157 G C 0.276 175.177 174.900 0.001 0.000 0.998 1157 G CA 0.086 45.188 45.100 0.002 0.000 0.620 1157 G HN 0.233 nan 8.290 nan 0.000 0.529 1158 V N 1.526 121.440 119.914 0.001 0.000 2.532 1158 V HA 0.603 4.679 4.120 -0.073 0.000 0.295 1158 V C 0.578 176.670 176.094 -0.003 0.000 1.041 1158 V CA -0.767 61.533 62.300 0.000 0.000 0.926 1158 V CB 1.597 33.420 31.823 0.001 0.000 0.992 1158 V HN 0.351 nan 8.190 nan 0.000 0.457 1159 R N 4.953 125.451 120.500 -0.003 0.000 2.215 1159 R HA 0.536 4.832 4.340 -0.073 0.000 0.336 1159 R C -1.162 175.133 176.300 -0.008 0.000 0.996 1159 R CA -0.498 55.598 56.100 -0.006 0.000 0.847 1159 R CB 0.934 31.232 30.300 -0.005 0.000 1.127 1159 R HN 0.575 nan 8.270 nan 0.000 0.465 1160 L N 4.552 125.767 121.223 -0.014 0.000 2.268 1160 L HA 0.160 4.456 4.340 -0.073 0.000 0.289 1160 L C 0.879 177.735 176.870 -0.023 0.000 1.064 1160 L CA -0.546 54.284 54.840 -0.017 0.000 0.824 1160 L CB 0.531 42.576 42.059 -0.024 0.000 1.202 1160 L HN 0.575 nan 8.230 nan 0.000 0.433 1161 E N 3.945 124.137 120.200 -0.013 0.000 2.481 1161 E HA -0.090 4.216 4.350 -0.073 0.000 0.240 1161 E C 0.059 176.642 176.600 -0.028 0.000 1.193 1161 E CA -0.179 56.212 56.400 -0.014 0.000 0.955 1161 E CB 0.254 29.954 29.700 0.001 0.000 1.006 1161 E HN 0.501 nan 8.360 nan 0.000 0.483 1162 E N 2.763 122.938 120.200 -0.042 0.000 2.975 1162 E HA -0.190 4.116 4.350 -0.073 0.000 0.269 1162 E C 0.859 177.420 176.600 -0.064 0.000 0.905 1162 E CA 1.774 58.136 56.400 -0.064 0.000 0.967 1162 E CB 0.052 29.715 29.700 -0.061 0.000 0.925 1162 E HN 0.869 nan 8.360 nan 0.000 0.507 1163 G N 4.238 112.978 108.800 -0.100 0.000 2.141 1163 G HA2 -0.290 3.626 3.960 -0.073 0.000 0.231 1163 G HA3 -0.290 3.626 3.960 -0.073 0.000 0.231 1163 G C 0.343 175.153 174.900 -0.149 0.000 0.984 1163 G CA 0.361 45.385 45.100 -0.127 0.000 0.660 1163 G HN 0.633 nan 8.290 nan 0.000 0.525 1164 R N 0.127 120.561 120.500 -0.109 0.000 2.308 1164 R HA 0.481 4.777 4.340 -0.073 0.000 0.305 1164 R C -0.371 175.877 176.300 -0.087 0.000 1.053 1164 R CA -0.621 55.458 56.100 -0.035 0.000 0.957 1164 R CB 0.233 30.531 30.300 -0.003 0.000 1.022 1164 R HN 0.143 nan 8.270 nan 0.000 0.461 1165 Y N 4.184 124.503 120.300 0.033 0.000 2.465 1165 Y HA 0.045 4.551 4.550 -0.073 0.000 0.331 1165 Y C 0.590 176.423 175.900 -0.112 0.000 1.102 1165 Y CA -0.001 58.110 58.100 0.018 0.000 1.358 1165 Y CB 0.720 39.314 38.460 0.222 0.000 1.213 1165 Y HN 0.325 nan 8.280 nan 0.000 0.525 1166 L N 4.839 126.023 121.223 -0.065 0.000 2.515 1166 L HA 0.083 4.379 4.340 -0.073 0.000 0.281 1166 L C 0.732 177.460 176.870 -0.236 0.000 1.131 1166 L CA -0.207 54.567 54.840 -0.111 0.000 0.905 1166 L CB -0.245 41.776 42.059 -0.064 0.000 1.246 1166 L HN 0.687 nan 8.230 nan 0.000 0.463 1167 S N 3.173 118.728 115.700 -0.242 0.000 2.585 1167 S HA 0.032 4.458 4.470 -0.073 0.000 0.273 1167 S C 0.924 175.381 174.600 -0.240 0.000 1.339 1167 S CA -0.647 57.381 58.200 -0.287 0.000 1.028 1167 S CB 1.033 64.163 63.200 -0.117 0.000 0.906 1167 S HN 0.646 nan 8.310 nan 0.000 0.528 1168 M N 1.588 120.984 119.600 -0.340 0.000 2.706 1168 M HA 0.029 4.465 4.480 -0.073 0.000 0.251 1168 M C 0.567 176.600 176.300 -0.446 0.000 1.070 1168 M CA 1.251 56.249 55.300 -0.504 0.000 1.073 1168 M CB -0.708 31.504 32.600 -0.647 0.000 1.449 1168 M HN 0.726 nan 8.290 nan 0.000 0.531 1169 D N -0.742 119.512 120.400 -0.243 0.000 2.380 1169 D HA -0.004 4.592 4.640 -0.073 0.000 0.212 1169 D C 1.077 177.348 176.300 -0.047 0.000 1.021 1169 D CA 0.559 54.487 54.000 -0.120 0.000 0.884 1169 D CB 0.110 40.861 40.800 -0.081 0.000 1.001 1169 D HN 0.336 nan 8.370 nan 0.000 0.506 1170 D N 0.317 120.675 120.400 -0.069 0.000 2.317 1170 D HA -0.047 4.549 4.640 -0.073 0.000 0.211 1170 D C 2.036 178.317 176.300 -0.031 0.000 0.966 1170 D CA 0.344 54.320 54.000 -0.040 0.000 0.876 1170 D CB 0.769 41.541 40.800 -0.048 0.000 0.927 1170 D HN 0.114 nan 8.370 nan 0.000 0.519 1171 V N 0.412 120.297 119.914 -0.049 0.000 2.426 1171 V HA -0.122 3.954 4.120 -0.073 0.000 0.242 1171 V C 1.948 178.088 176.094 0.076 0.000 1.036 1171 V CA 0.954 63.244 62.300 -0.017 0.000 1.044 1171 V CB -0.479 31.306 31.823 -0.063 0.000 0.688 1171 V HN 0.112 nan 8.190 nan 0.000 0.462 1172 H N -0.219 118.806 119.070 -0.075 0.000 2.543 1172 H HA 0.006 4.518 4.556 -0.074 0.000 0.286 1172 H C 1.826 177.125 175.328 -0.049 0.000 1.037 1172 H CA 1.258 57.268 56.048 -0.064 0.000 1.250 1172 H CB 0.045 29.765 29.762 -0.070 0.000 1.373 1172 H HN 0.406 nan 8.280 nan 0.000 0.580 1173 L N -1.279 119.986 121.223 0.071 0.000 2.286 1173 L HA 0.066 4.362 4.340 -0.073 0.000 0.203 1173 L C 1.757 178.633 176.870 0.009 0.000 1.068 1173 L CA 0.528 55.383 54.840 0.026 0.000 0.811 1173 L CB -0.063 42.005 42.059 0.015 0.000 0.989 1173 L HN 0.099 nan 8.230 nan 0.000 0.467 1174 L N 0.220 121.445 121.223 0.004 0.000 2.046 1174 L HA -0.234 4.062 4.340 -0.073 0.000 0.208 1174 L C 2.530 179.388 176.870 -0.019 0.000 1.077 1174 L CA 1.558 56.392 54.840 -0.010 0.000 0.747 1174 L CB -0.478 41.569 42.059 -0.021 0.000 0.896 1174 L HN 0.340 nan 8.230 nan 0.000 0.432 1175 I N -0.299 120.258 120.570 -0.022 0.000 2.454 1175 I HA -0.289 3.837 4.170 -0.073 0.000 0.254 1175 I C 2.588 178.687 176.117 -0.031 0.000 1.156 1175 I CA 1.141 62.413 61.300 -0.046 0.000 1.433 1175 I CB -0.270 37.703 38.000 -0.047 0.000 1.082 1175 I HN 0.264 nan 8.210 nan 0.000 0.432 1176 K N 1.411 121.800 120.400 -0.019 0.000 2.116 1176 K HA -0.062 4.214 4.320 -0.073 0.000 0.203 1176 K C 2.186 178.791 176.600 0.009 0.000 1.052 1176 K CA 1.080 57.361 56.287 -0.011 0.000 0.952 1176 K CB -0.020 32.473 32.500 -0.013 0.000 0.729 1176 K HN 0.249 nan 8.250 nan 0.000 0.446 1177 A N 0.628 123.455 122.820 0.011 0.000 2.125 1177 A HA -0.060 4.216 4.320 -0.073 0.000 0.219 1177 A C 2.061 179.678 177.584 0.055 0.000 1.156 1177 A CA 1.667 53.719 52.037 0.025 0.000 0.671 1177 A CB -0.434 18.577 19.000 0.019 0.000 0.794 1177 A HN 0.439 nan 8.150 nan 0.000 0.459 1178 A N -0.633 122.224 122.820 0.061 0.000 2.044 1178 A HA 0.068 4.344 4.320 -0.073 0.000 0.213 1178 A C 1.831 179.511 177.584 0.159 0.000 1.169 1178 A CA 0.853 52.981 52.037 0.152 0.000 0.724 1178 A CB -0.166 18.874 19.000 0.067 0.000 0.840 1178 A HN 0.427 nan 8.150 nan 0.000 0.463 1179 E N 0.487 120.735 120.200 0.080 0.000 2.110 1179 E HA -0.130 4.176 4.350 -0.073 0.000 0.193 1179 E C 1.874 178.506 176.600 0.054 0.000 0.988 1179 E CA 1.314 57.752 56.400 0.062 0.000 0.804 1179 E CB -0.360 29.355 29.700 0.024 0.000 0.745 1179 E HN 0.550 nan 8.360 nan 0.000 0.458 1180 A N 0.583 123.430 122.820 0.045 0.000 2.251 1180 A HA 0.328 4.604 4.320 -0.073 0.000 0.209 1180 A C 1.285 178.891 177.584 0.037 0.000 1.187 1180 A CA 0.627 52.683 52.037 0.032 0.000 0.823 1180 A CB -0.260 18.753 19.000 0.022 0.000 0.846 1180 A HN 0.208 nan 8.150 nan 0.000 0.486 1181 G N -0.093 108.747 108.800 0.066 0.000 2.363 1181 G HA2 -0.246 3.670 3.960 -0.073 0.000 0.286 1181 G HA3 -0.246 3.670 3.960 -0.073 0.000 0.286 1181 G C 0.201 175.129 174.900 0.046 0.000 0.975 1181 G CA 0.725 45.863 45.100 0.062 0.000 1.309 1181 G HN 0.615 nan 8.290 nan 0.000 0.491 1182 E N -0.832 119.407 120.200 0.065 0.000 2.508 1182 E HA 0.410 4.716 4.350 -0.073 0.000 0.217 1182 E C 1.107 177.741 176.600 0.057 0.000 0.896 1182 E CA 0.121 56.547 56.400 0.044 0.000 1.118 1182 E CB 0.391 30.110 29.700 0.032 0.000 1.133 1182 E HN 0.697 nan 8.360 nan 0.000 0.526 1183 I N -0.172 120.457 120.570 0.098 0.000 3.174 1183 I HA 0.320 4.446 4.170 -0.073 0.000 0.313 1183 I C 0.257 176.516 176.117 0.237 0.000 1.155 1183 I CA -0.795 60.572 61.300 0.113 0.000 0.977 1183 I CB 2.144 40.187 38.000 0.072 0.000 1.248 1183 I HN -0.159 nan 8.210 nan 0.000 0.453 1184 Q N 0.730 120.670 119.800 0.234 0.000 2.237 1184 Q HA 0.338 4.634 4.340 -0.073 0.000 0.254 1184 Q C -0.457 175.692 176.000 0.249 0.000 0.771 1184 Q CA 0.213 56.269 55.803 0.423 0.000 0.958 1184 Q CB 2.295 31.186 28.738 0.256 0.000 1.202 1184 Q HN 0.650 nan 8.270 nan 0.000 0.492 1185 E N 0.428 120.702 120.200 0.125 0.000 2.429 1185 E HA 0.599 4.905 4.350 -0.073 0.000 0.276 1185 E C -1.300 175.320 176.600 0.034 0.000 0.953 1185 E CA -0.719 55.724 56.400 0.072 0.000 0.787 1185 E CB 3.170 32.924 29.700 0.090 0.000 1.307 1185 E HN -0.216 nan 8.360 nan 0.000 0.458 1186 V N 2.237 122.159 119.914 0.014 0.000 2.623 1186 V HA 0.329 4.405 4.120 -0.073 0.000 0.304 1186 V C -2.467 173.612 176.094 -0.025 0.000 1.054 1186 V CA -1.742 60.548 62.300 -0.017 0.000 0.882 1186 V CB 2.093 33.897 31.823 -0.032 0.000 1.002 1186 V HN 0.525 nan 8.190 nan 0.000 0.424 1187 P HA 0.214 nan 4.420 nan 0.000 0.279 1187 P C -0.789 176.398 177.300 -0.187 0.000 1.318 1187 P CA 0.195 63.149 63.100 -0.244 0.000 0.819 1187 P CB 1.724 33.100 31.700 -0.539 0.000 0.927 1188 V N 5.554 125.435 119.914 -0.054 0.000 2.735 1188 V HA 0.424 4.500 4.120 -0.073 0.000 0.310 1188 V C -0.057 176.049 176.094 0.019 0.000 1.061 1188 V CA -1.093 61.184 62.300 -0.039 0.000 0.913 1188 V CB 2.157 33.968 31.823 -0.020 0.000 1.005 1188 V HN 0.303 nan 8.190 nan 0.000 0.428 1189 R N 4.192 124.677 120.500 -0.024 0.000 2.309 1189 R HA 0.300 4.596 4.340 -0.073 0.000 0.331 1189 R C 0.047 176.346 176.300 -0.001 0.000 1.116 1189 R CA 0.187 56.291 56.100 0.008 0.000 0.970 1189 R CB 0.578 30.857 30.300 -0.036 0.000 1.024 1189 R HN 0.738 nan 8.270 nan 0.000 0.472 1190 S N 2.895 118.613 115.700 0.029 0.000 2.593 1190 S HA 0.419 4.845 4.470 -0.073 0.000 0.297 1190 S C -1.790 172.823 174.600 0.021 0.000 1.112 1190 S CA -1.838 56.365 58.200 0.006 0.000 1.043 1190 S CB 1.587 64.797 63.200 0.016 0.000 1.054 1190 S HN 0.182 nan 8.310 nan 0.000 0.516 1191 P HA 0.018 nan 4.420 nan 0.000 0.225 1191 P C 1.282 178.611 177.300 0.048 0.000 1.148 1191 P CA 0.652 63.786 63.100 0.057 0.000 0.779 1191 P CB 0.076 31.831 31.700 0.093 0.000 0.780 1192 L N -1.151 120.094 121.223 0.036 0.000 2.191 1192 L HA -0.086 4.210 4.340 -0.073 0.000 0.212 1192 L C 0.651 177.537 176.870 0.027 0.000 1.103 1192 L CA 1.558 56.418 54.840 0.034 0.000 0.769 1192 L CB -0.682 41.395 42.059 0.029 0.000 0.908 1192 L HN 0.142 nan 8.230 nan 0.000 0.438 1193 T N -3.499 111.071 114.554 0.027 0.000 3.209 1193 T HA 0.420 4.726 4.350 -0.073 0.000 0.366 1193 T C -0.647 174.067 174.700 0.025 0.000 1.293 1193 T CA -0.759 61.353 62.100 0.020 0.000 1.417 1193 T CB 0.027 68.903 68.868 0.012 0.000 1.013 1193 T HN -0.031 nan 8.240 nan 0.000 0.572 1194 c N 2.935 121.547 118.600 0.020 0.000 2.547 1194 c HA 0.480 5.006 4.570 -0.073 0.000 0.313 1194 c C 1.861 175.951 174.090 -0.001 0.000 1.191 1194 c CA -0.803 55.537 56.329 0.017 0.000 1.474 1194 c CB 1.817 44.345 42.510 0.030 0.000 2.081 1194 c HN 1.009 nan 8.230 nan 0.000 0.476 1195 Q N 2.024 121.822 119.800 -0.004 0.000 2.096 1195 Q HA -0.152 4.144 4.340 -0.073 0.000 0.204 1195 Q C 0.934 176.908 176.000 -0.043 0.000 0.982 1195 Q CA 2.208 58.000 55.803 -0.019 0.000 0.850 1195 Q CB -0.377 28.354 28.738 -0.011 0.000 0.901 1195 Q HN 0.902 nan 8.270 nan 0.000 0.422 1196 T N 0.865 115.399 114.554 -0.034 0.000 2.474 1196 T HA -0.097 4.209 4.350 -0.073 0.000 0.231 1196 T C 0.521 175.176 174.700 -0.075 0.000 1.125 1196 T CA 0.195 62.267 62.100 -0.046 0.000 1.828 1196 T CB 0.130 68.983 68.868 -0.024 0.000 1.108 1196 T HN 0.308 nan 8.240 nan 0.000 0.479 1197 R N 2.859 123.276 120.500 -0.138 0.000 2.441 1197 R HA -0.146 4.150 4.340 -0.073 0.000 0.164 1197 R C 1.278 177.465 176.300 -0.187 0.000 0.734 1197 R CA 1.561 57.500 56.100 -0.267 0.000 1.129 1197 R CB -1.259 28.757 30.300 -0.473 0.000 0.574 1197 R HN 0.821 nan 8.270 nan 0.000 0.555 1198 Y N -0.087 120.178 120.300 -0.058 0.000 2.572 1198 Y HA 0.139 4.645 4.550 -0.073 0.000 0.340 1198 Y C 1.093 176.958 175.900 -0.059 0.000 1.224 1198 Y CA -0.252 57.809 58.100 -0.066 0.000 1.260 1198 Y CB -0.200 38.222 38.460 -0.064 0.000 1.078 1198 Y HN 0.410 nan 8.280 nan 0.000 0.491 1199 G N -1.065 107.773 108.800 0.063 0.000 2.815 1199 G HA2 0.597 4.513 3.960 -0.073 0.000 0.305 1199 G HA3 0.597 4.513 3.960 -0.073 0.000 0.305 1199 G C -1.749 173.153 174.900 0.003 0.000 1.277 1199 G CA -0.528 44.585 45.100 0.021 0.000 0.795 1199 G HN -0.172 nan 8.290 nan 0.000 0.528 1200 V N -0.675 119.229 119.914 -0.017 0.000 3.078 1200 V HA 0.592 4.668 4.120 -0.073 0.000 0.311 1200 V C 0.120 176.203 176.094 -0.018 0.000 1.138 1200 V CA -0.680 61.624 62.300 0.006 0.000 1.007 1200 V CB 1.510 33.362 31.823 0.049 0.000 1.045 1200 V HN 1.387 nan 8.190 nan 0.000 0.432 1201 C N 1.128 120.437 119.300 0.016 0.000 2.401 1201 C HA 0.580 4.996 4.460 -0.073 0.000 0.356 1201 C C 1.381 176.404 174.990 0.054 0.000 1.192 1201 C CA -0.447 58.572 59.018 0.002 0.000 2.028 1201 C CB 1.191 28.929 27.740 -0.002 0.000 2.344 1201 C HN 0.980 nan 8.230 nan 0.000 0.525 1202 Q N 0.766 120.595 119.800 0.048 0.000 1.967 1202 Q HA -0.179 4.117 4.340 -0.073 0.000 0.210 1202 Q C 1.979 178.099 176.000 0.200 0.000 1.005 1202 Q CA 1.938 57.821 55.803 0.134 0.000 0.862 1202 Q CB -0.186 28.630 28.738 0.128 0.000 0.939 1202 Q HN 0.674 nan 8.270 nan 0.000 0.417 1203 K N 0.051 120.524 120.400 0.122 0.000 2.211 1203 K HA -0.124 4.152 4.320 -0.073 0.000 0.204 1203 K C 1.741 178.335 176.600 -0.010 0.000 1.047 1203 K CA 0.688 56.974 56.287 -0.002 0.000 0.935 1203 K CB -0.451 32.025 32.500 -0.040 0.000 0.728 1203 K HN 0.276 nan 8.250 nan 0.000 0.452 1204 c N 0.143 118.774 118.600 0.051 0.000 2.625 1204 c HA 0.136 4.662 4.570 -0.073 0.000 0.285 1204 c C 1.625 175.783 174.090 0.112 0.000 1.279 1204 c CA -0.641 55.720 56.329 0.053 0.000 1.698 1204 c CB -1.232 41.308 42.510 0.050 0.000 1.821 1204 c HN 0.422 nan 8.230 nan 0.000 0.600 1205 Y N 0.444 120.739 120.300 -0.008 0.000 3.213 1205 Y HA 0.602 5.108 4.550 -0.073 0.000 0.168 1205 Y C 0.928 176.815 175.900 -0.022 0.000 0.880 1205 Y CA 1.235 59.322 58.100 -0.022 0.000 1.806 1205 Y CB 0.285 38.738 38.460 -0.012 0.000 1.369 1205 Y HN 0.160 nan 8.280 nan 0.000 0.377 1206 G N -1.004 107.953 108.800 0.261 0.000 2.334 1206 G HA2 -0.129 3.787 3.960 -0.073 0.000 0.566 1206 G HA3 -0.129 3.787 3.960 -0.073 0.000 0.566 1206 G C -0.440 174.609 174.900 0.249 0.000 1.413 1206 G CA -0.382 44.857 45.100 0.233 0.000 0.993 1206 G HN 0.564 nan 8.290 nan 0.000 0.642 1207 Y N 0.240 120.612 120.300 0.121 0.000 1.518 1207 Y HA -0.346 4.160 4.550 -0.074 0.000 0.122 1207 Y C 1.872 177.680 175.900 -0.153 0.000 0.818 1207 Y CA 2.326 60.370 58.100 -0.094 0.000 0.598 1207 Y CB -0.171 38.213 38.460 -0.127 0.000 0.594 1207 Y HN 0.743 nan 8.280 nan 0.000 0.706 1208 D N 1.157 121.513 120.400 -0.073 0.000 2.836 1208 D HA -0.055 4.541 4.640 -0.073 0.000 0.220 1208 D C -0.158 176.121 176.300 -0.036 0.000 1.094 1208 D CA 1.259 55.168 54.000 -0.152 0.000 0.820 1208 D CB 0.162 40.790 40.800 -0.287 0.000 1.171 1208 D HN 0.349 nan 8.370 nan 0.000 0.507 1209 L N 1.822 123.019 121.223 -0.044 0.000 2.786 1209 L HA 0.133 4.429 4.340 -0.073 0.000 0.259 1209 L C 1.295 178.169 176.870 0.007 0.000 1.099 1209 L CA -0.619 54.221 54.840 -0.000 0.000 0.995 1209 L CB 0.758 42.798 42.059 -0.031 0.000 1.580 1209 L HN 0.262 nan 8.230 nan 0.000 0.373 1210 S N -0.011 115.710 115.700 0.035 0.000 2.382 1210 S HA -0.032 4.394 4.470 -0.073 0.000 0.228 1210 S C 0.700 175.391 174.600 0.151 0.000 1.027 1210 S CA 1.292 59.541 58.200 0.082 0.000 0.991 1210 S CB -0.358 62.891 63.200 0.081 0.000 0.823 1210 S HN 0.311 nan 8.310 nan 0.000 0.469 1211 M N 0.337 120.002 119.600 0.109 0.000 1.801 1211 M HA 0.413 4.849 4.480 -0.073 0.000 0.198 1211 M C 1.465 177.660 176.300 -0.176 0.000 1.248 1211 M CA 0.393 55.771 55.300 0.131 0.000 0.893 1211 M CB 0.007 32.637 32.600 0.049 0.000 1.199 1211 M HN 0.075 nan 8.290 nan 0.000 0.482 1212 A N -0.824 121.766 122.820 -0.384 0.000 2.192 1212 A HA 0.191 4.467 4.320 -0.073 0.000 0.208 1212 A C 0.684 177.696 177.584 -0.954 0.000 1.220 1212 A CA -0.247 51.476 52.037 -0.523 0.000 0.900 1212 A CB -0.066 18.676 19.000 -0.429 0.000 0.937 1212 A HN 0.684 nan 8.150 nan 0.000 0.487 1213 R N 0.256 120.378 120.500 -0.630 0.000 2.905 1213 R HA 0.176 4.472 4.340 -0.073 0.000 0.273 1213 R C -2.689 173.227 176.300 -0.640 0.000 1.033 1213 R CA -1.120 54.596 56.100 -0.639 0.000 1.182 1213 R CB -1.229 28.874 30.300 -0.328 0.000 1.097 1213 R HN -0.045 nan 8.270 nan 0.000 0.504 1214 P HA -0.134 nan 4.420 nan 0.000 0.270 1214 P C 0.053 177.213 177.300 -0.232 0.000 1.221 1214 P CA -0.140 62.620 63.100 -0.568 0.000 0.788 1214 P CB 0.320 31.540 31.700 -0.799 0.000 0.904 1215 V N 1.969 121.854 119.914 -0.048 0.000 2.872 1215 V HA 0.046 4.122 4.120 -0.073 0.000 0.307 1215 V C -0.033 176.032 176.094 -0.047 0.000 1.072 1215 V CA 0.695 62.992 62.300 -0.006 0.000 1.148 1215 V CB 0.317 32.186 31.823 0.077 0.000 0.954 1215 V HN 0.469 nan 8.190 nan 0.000 0.490 1216 S N 6.655 122.321 115.700 -0.058 0.000 2.489 1216 S HA 0.572 4.998 4.470 -0.073 0.000 0.291 1216 S C -0.219 174.359 174.600 -0.037 0.000 1.151 1216 S CA -0.500 57.678 58.200 -0.038 0.000 1.082 1216 S CB 1.097 64.279 63.200 -0.030 0.000 1.019 1216 S HN 0.660 nan 8.310 nan 0.000 0.492 1217 I N 2.067 122.630 120.570 -0.011 0.000 2.710 1217 I HA 0.301 4.427 4.170 -0.073 0.000 0.286 1217 I C 1.365 177.510 176.117 0.046 0.000 1.181 1217 I CA 0.401 61.685 61.300 -0.027 0.000 1.430 1217 I CB -0.265 37.665 38.000 -0.117 0.000 1.367 1217 I HN 0.956 nan 8.210 nan 0.000 0.577 1218 G N 3.679 112.483 108.800 0.006 0.000 2.130 1218 G HA2 -0.231 3.685 3.960 -0.073 0.000 0.216 1218 G HA3 -0.231 3.685 3.960 -0.073 0.000 0.216 1218 G C -0.122 174.771 174.900 -0.012 0.000 0.999 1218 G CA -0.163 44.957 45.100 0.033 0.000 0.686 1218 G HN 0.761 nan 8.290 nan 0.000 0.515 1219 E N 0.075 120.242 120.200 -0.055 0.000 2.242 1219 E HA 0.695 5.001 4.350 -0.073 0.000 0.275 1219 E C 0.896 177.443 176.600 -0.090 0.000 1.002 1219 E CA -0.245 56.110 56.400 -0.076 0.000 0.841 1219 E CB 1.023 30.659 29.700 -0.107 0.000 1.109 1219 E HN 0.636 nan 8.360 nan 0.000 0.394 1220 A N 4.617 127.398 122.820 -0.065 0.000 3.033 1220 A HA 0.112 4.388 4.320 -0.073 0.000 0.250 1220 A C 1.229 178.776 177.584 -0.061 0.000 1.633 1220 A CA -0.214 51.792 52.037 -0.051 0.000 1.290 1220 A CB -0.640 18.343 19.000 -0.027 0.000 1.048 1220 A HN 0.568 nan 8.150 nan 0.000 0.648 1221 V N 0.831 120.672 119.914 -0.122 0.000 2.313 1221 V HA -0.354 3.722 4.120 -0.073 0.000 0.253 1221 V C 2.822 178.917 176.094 0.002 0.000 1.070 1221 V CA 2.531 64.755 62.300 -0.126 0.000 1.057 1221 V CB -1.148 30.466 31.823 -0.348 0.000 0.653 1221 V HN 0.751 nan 8.190 nan 0.000 0.450 1222 G N 0.320 109.115 108.800 -0.008 0.000 2.679 1222 G HA2 -0.297 3.619 3.960 -0.073 0.000 0.217 1222 G HA3 -0.297 3.619 3.960 -0.073 0.000 0.217 1222 G C 1.335 176.247 174.900 0.019 0.000 1.267 1222 G CA 1.569 46.680 45.100 0.018 0.000 0.799 1222 G HN 0.496 nan 8.290 nan 0.000 0.606 1223 I N 0.838 121.415 120.570 0.012 0.000 2.208 1223 I HA -0.133 3.993 4.170 -0.073 0.000 0.245 1223 I C 2.807 178.911 176.117 -0.021 0.000 1.097 1223 I CA 0.479 61.781 61.300 0.004 0.000 1.363 1223 I CB -1.060 36.944 38.000 0.006 0.000 1.051 1223 I HN 0.045 nan 8.210 nan 0.000 0.413 1224 V N 1.073 120.974 119.914 -0.021 0.000 2.828 1224 V HA -0.283 3.793 4.120 -0.073 0.000 0.260 1224 V C 2.553 178.563 176.094 -0.140 0.000 1.101 1224 V CA 1.699 63.971 62.300 -0.046 0.000 1.123 1224 V CB -1.507 30.314 31.823 -0.004 0.000 0.704 1224 V HN 0.538 nan 8.190 nan 0.000 0.493 1225 A N 0.130 122.896 122.820 -0.090 0.000 1.835 1225 A HA 0.106 4.382 4.320 -0.073 0.000 0.213 1225 A C 2.483 179.977 177.584 -0.149 0.000 1.210 1225 A CA 1.477 53.422 52.037 -0.154 0.000 0.605 1225 A CB -1.014 18.039 19.000 0.087 0.000 0.860 1225 A HN 0.507 nan 8.150 nan 0.000 0.447 1226 A N -0.485 122.293 122.820 -0.071 0.000 1.884 1226 A HA -0.326 3.950 4.320 -0.073 0.000 0.219 1226 A C 2.141 179.686 177.584 -0.066 0.000 1.197 1226 A CA 2.113 54.105 52.037 -0.074 0.000 0.637 1226 A CB -0.965 18.004 19.000 -0.051 0.000 0.827 1226 A HN 0.654 nan 8.150 nan 0.000 0.450 1227 Q N -0.230 119.536 119.800 -0.056 0.000 2.029 1227 Q HA -0.247 4.049 4.340 -0.073 0.000 0.209 1227 Q C 2.591 178.582 176.000 -0.016 0.000 0.999 1227 Q CA 2.556 58.347 55.803 -0.021 0.000 0.857 1227 Q CB -0.460 28.273 28.738 -0.008 0.000 0.926 1227 Q HN 0.898 nan 8.270 nan 0.000 0.415 1228 S N 0.983 116.616 115.700 -0.111 0.000 2.353 1228 S HA -0.144 4.282 4.470 -0.073 0.000 0.222 1228 S C 1.878 176.473 174.600 -0.008 0.000 1.035 1228 S CA 1.267 59.391 58.200 -0.126 0.000 1.025 1228 S CB -0.663 62.324 63.200 -0.355 0.000 0.902 1228 S HN 0.343 nan 8.310 nan 0.000 0.440 1229 I N 1.800 122.357 120.570 -0.021 0.000 3.334 1229 I HA 0.070 4.196 4.170 -0.073 0.000 0.282 1229 I C 2.109 178.317 176.117 0.151 0.000 1.313 1229 I CA 0.702 62.051 61.300 0.082 0.000 1.396 1229 I CB -0.589 37.430 38.000 0.032 0.000 1.054 1229 I HN 0.512 nan 8.210 nan 0.000 0.495 1230 G N -0.401 108.456 108.800 0.094 0.000 2.759 1230 G HA2 -0.031 3.885 3.960 -0.073 0.000 0.208 1230 G HA3 -0.031 3.885 3.960 -0.073 0.000 0.208 1230 G C 1.383 176.347 174.900 0.106 0.000 1.076 1230 G CA -0.158 44.998 45.100 0.093 0.000 0.789 1230 G HN 0.165 nan 8.290 nan 0.000 0.546 1231 E N 1.531 121.803 120.200 0.120 0.000 2.001 1231 E HA -0.061 4.245 4.350 -0.073 0.000 0.193 1231 E C -0.195 176.472 176.600 0.113 0.000 0.994 1231 E CA 1.125 57.608 56.400 0.138 0.000 0.815 1231 E CB -0.739 29.102 29.700 0.234 0.000 0.770 1231 E HN 0.147 nan 8.360 nan 0.000 0.453 1232 P HA -0.209 nan 4.420 nan 0.000 0.220 1232 P C 1.261 178.565 177.300 0.007 0.000 1.155 1232 P CA 2.264 65.407 63.100 0.072 0.000 0.880 1232 P CB -0.580 31.195 31.700 0.126 0.000 0.790 1233 G N -0.356 108.463 108.800 0.033 0.000 3.645 1233 G HA2 -0.448 3.468 3.960 -0.073 0.000 0.296 1233 G HA3 -0.448 3.468 3.960 -0.073 0.000 0.296 1233 G C 1.416 176.299 174.900 -0.029 0.000 1.048 1233 G CA 2.960 48.061 45.100 0.002 0.000 0.970 1233 G HN 0.292 nan 8.290 nan 0.000 1.298 1234 T N 0.421 114.980 114.554 0.007 0.000 2.883 1234 T HA -0.188 4.118 4.350 -0.073 0.000 0.266 1234 T C 1.834 176.528 174.700 -0.009 0.000 1.103 1234 T CA 1.892 63.996 62.100 0.007 0.000 1.125 1234 T CB -0.197 68.682 68.868 0.018 0.000 0.819 1234 T HN 0.585 nan 8.240 nan 0.000 0.536 1235 Q N 0.137 119.919 119.800 -0.030 0.000 2.217 1235 Q HA 0.374 4.670 4.340 -0.073 0.000 0.226 1235 Q C 0.442 176.404 176.000 -0.064 0.000 0.875 1235 Q CA -0.211 55.570 55.803 -0.036 0.000 0.974 1235 Q CB -0.024 28.697 28.738 -0.029 0.000 1.079 1235 Q HN 0.559 nan 8.270 nan 0.000 0.463 1236 L N -1.804 119.377 121.223 -0.071 0.000 2.740 1236 L HA 0.509 4.805 4.340 -0.073 0.000 0.217 1236 L C 0.461 177.312 176.870 -0.031 0.000 1.869 1236 L CA -0.897 53.895 54.840 -0.079 0.000 2.863 1236 L CB -0.377 41.598 42.059 -0.140 0.000 2.720 1236 L HN 0.016 nan 8.230 nan 0.000 0.700 1237 T N 1.142 115.683 114.554 -0.022 0.000 0.541 1237 T HA -0.195 4.111 4.350 -0.073 0.000 0.774 1237 T C -0.569 174.145 174.700 0.023 0.000 0.992 1237 T CA 0.442 62.548 62.100 0.009 0.000 4.077 1237 T CB -0.393 68.491 68.868 0.026 0.000 2.303 1237 T HN 0.544 nan 8.240 nan 0.000 0.398 1238 M N 2.292 121.918 119.600 0.042 0.000 2.659 1238 M HA 0.393 4.829 4.480 -0.073 0.000 0.164 1238 M C -0.218 176.130 176.300 0.080 0.000 0.989 1238 M CA 0.196 55.528 55.300 0.053 0.000 0.803 1238 M CB 0.313 32.935 32.600 0.037 0.000 3.145 1238 M HN 0.885 nan 8.290 nan 0.000 0.350 1239 R N 0.391 120.964 120.500 0.122 0.000 4.039 1239 R HA -0.095 4.201 4.340 -0.073 0.000 0.385 1239 R C -1.035 175.394 176.300 0.214 0.000 0.241 1239 R CA 1.128 57.341 56.100 0.189 0.000 1.241 1239 R CB -0.987 29.398 30.300 0.142 0.000 1.110 1239 R HN 0.757 nan 8.270 nan 0.000 0.508 1240 T N -0.956 113.761 114.554 0.272 0.000 1.183 1240 T HA -0.004 4.302 4.350 -0.073 0.000 0.708 1240 T C -1.052 173.774 174.700 0.210 0.000 0.972 1240 T CA 0.735 62.964 62.100 0.215 0.000 3.745 1240 T CB -0.732 68.186 68.868 0.083 0.000 2.139 1240 T HN 0.429 nan 8.240 nan 0.000 0.410 1241 F N 0.272 120.278 119.950 0.094 0.000 2.980 1241 F HA 0.517 5.000 4.527 -0.073 0.000 0.335 1241 F C 0.674 176.625 175.800 0.250 0.000 1.210 1241 F CA -1.007 57.059 58.000 0.110 0.000 0.986 1241 F CB 1.236 40.270 39.000 0.057 0.000 1.469 1241 F HN 0.552 nan 8.300 nan 0.000 0.519 1242 H N 0.397 119.598 119.070 0.219 0.000 2.581 1242 H HA 0.268 4.780 4.556 -0.073 0.000 0.308 1242 H C 0.240 175.619 175.328 0.084 0.000 1.040 1242 H CA -0.147 55.966 56.048 0.109 0.000 1.231 1242 H CB 1.547 31.348 29.762 0.064 0.000 1.396 1242 H HN 0.664 nan 8.280 nan 0.000 0.467 1243 T N 1.119 115.750 114.554 0.127 0.000 2.571 1243 T HA -0.080 4.226 4.350 -0.073 0.000 0.225 1243 T C 1.362 176.068 174.700 0.010 0.000 1.319 1243 T CA 0.659 62.793 62.100 0.057 0.000 1.602 1243 T CB -0.343 68.551 68.868 0.044 0.000 0.979 1243 T HN 0.604 nan 8.240 nan 0.000 0.379 1244 G N -0.039 108.747 108.800 -0.023 0.000 4.332 1244 G HA2 0.525 4.441 3.960 -0.073 0.000 0.321 1244 G HA3 0.525 4.441 3.960 -0.073 0.000 0.321 1244 G C 0.382 175.264 174.900 -0.029 0.000 1.439 1244 G CA -0.046 45.030 45.100 -0.040 0.000 0.900 1244 G HN 1.401 nan 8.290 nan 0.000 0.515 1245 G N -0.070 108.718 108.800 -0.020 0.000 2.636 1245 G HA2 0.008 3.924 3.960 -0.073 0.000 0.261 1245 G HA3 0.008 3.924 3.960 -0.073 0.000 0.261 1245 G C -0.257 174.618 174.900 -0.043 0.000 1.018 1245 G CA -0.141 44.944 45.100 -0.025 0.000 1.308 1245 G HN 1.189 nan 8.290 nan 0.000 0.514 1246 V N 1.481 121.345 119.914 -0.083 0.000 2.398 1246 V HA 0.730 4.806 4.120 -0.073 0.000 0.286 1246 V C 0.953 177.003 176.094 -0.074 0.000 1.026 1246 V CA -0.096 62.155 62.300 -0.082 0.000 0.868 1246 V CB 1.811 33.565 31.823 -0.116 0.000 0.982 1246 V HN 1.593 nan 8.190 nan 0.000 0.443 1247 A N 3.992 126.788 122.820 -0.041 0.000 3.135 1247 A HA 0.724 5.000 4.320 -0.073 0.000 0.253 1247 A C 0.694 178.261 177.584 -0.029 0.000 1.638 1247 A CA 0.443 52.462 52.037 -0.029 0.000 1.295 1247 A CB -0.721 18.271 19.000 -0.014 0.000 1.106 1247 A HN 1.109 nan 8.150 nan 0.000 0.648 1248 G N -1.057 107.715 108.800 -0.046 0.000 2.827 1248 G HA2 0.745 4.661 3.960 -0.073 0.000 0.296 1248 G HA3 0.745 4.661 3.960 -0.073 0.000 0.296 1248 G C -1.150 173.724 174.900 -0.043 0.000 1.362 1248 G CA 0.000 45.078 45.100 -0.037 0.000 0.809 1248 G HN 1.235 nan 8.290 nan 0.000 0.522 1249 A N -0.990 121.815 122.820 -0.024 0.000 2.429 1249 A HA 0.834 5.110 4.320 -0.073 0.000 0.289 1249 A C 0.071 177.656 177.584 0.002 0.000 1.043 1249 A CA 0.203 52.233 52.037 -0.012 0.000 0.722 1249 A CB 1.039 20.038 19.000 -0.001 0.000 1.243 1249 A HN 2.258 nan 8.150 nan 0.000 0.415 1250 A N 1.558 124.386 122.820 0.012 0.000 2.520 1250 A HA 0.415 4.691 4.320 -0.073 0.000 0.245 1250 A C 0.432 178.029 177.584 0.023 0.000 1.072 1250 A CA 0.483 52.535 52.037 0.025 0.000 0.761 1250 A CB 0.069 19.094 19.000 0.042 0.000 1.004 1250 A HN 0.812 nan 8.150 nan 0.000 0.499 1251 D N 1.416 121.830 120.400 0.023 0.000 2.716 1251 D HA 0.123 4.719 4.640 -0.073 0.000 0.273 1251 D C 0.240 176.554 176.300 0.025 0.000 1.024 1251 D CA 0.572 54.585 54.000 0.021 0.000 0.944 1251 D CB 0.185 40.996 40.800 0.019 0.000 1.186 1251 D HN 0.592 nan 8.370 nan 0.000 0.485 1252 I N 2.597 123.184 120.570 0.028 0.000 2.329 1252 I HA 0.026 4.152 4.170 -0.073 0.000 0.295 1252 I C -0.125 176.009 176.117 0.028 0.000 1.109 1252 I CA 0.255 61.572 61.300 0.029 0.000 1.297 1252 I CB 0.789 38.807 38.000 0.030 0.000 1.433 1252 I HN -0.262 nan 8.210 nan 0.000 0.509 1253 T N 6.420 120.988 114.554 0.024 0.000 2.737 1253 T HA 0.177 4.483 4.350 -0.073 0.000 0.296 1253 T C 0.144 174.857 174.700 0.021 0.000 0.922 1253 T CA -0.337 61.776 62.100 0.021 0.000 1.079 1253 T CB 0.708 69.586 68.868 0.016 0.000 0.892 1253 T HN 0.436 nan 8.240 nan 0.000 0.514 1254 Q N 1.202 121.016 119.800 0.024 0.000 2.418 1254 Q HA 0.678 4.974 4.340 -0.073 0.000 0.276 1254 Q C 0.669 176.680 176.000 0.018 0.000 1.081 1254 Q CA -0.145 55.671 55.803 0.022 0.000 0.864 1254 Q CB 1.942 30.695 28.738 0.026 0.000 1.384 1254 Q HN 0.970 nan 8.270 nan 0.000 0.467 1255 G N 0.489 109.293 108.800 0.007 0.000 2.804 1255 G HA2 -0.297 3.619 3.960 -0.073 0.000 0.230 1255 G HA3 -0.297 3.619 3.960 -0.073 0.000 0.230 1255 G C 0.481 175.382 174.900 0.001 0.000 1.386 1255 G CA 0.044 45.138 45.100 -0.009 0.000 0.875 1255 G HN 0.568 nan 8.290 nan 0.000 0.557 1256 L N 1.530 122.746 121.223 -0.011 0.000 2.010 1256 L HA -0.043 4.253 4.340 -0.073 0.000 0.219 1256 L C 0.582 177.483 176.870 0.051 0.000 1.077 1256 L CA 3.640 58.494 54.840 0.024 0.000 0.773 1256 L CB -1.484 40.585 42.059 0.017 0.000 0.892 1256 L HN 0.505 nan 8.230 nan 0.000 0.436 1257 P HA -0.230 nan 4.420 nan 0.000 0.218 1257 P C 1.579 178.898 177.300 0.032 0.000 1.150 1257 P CA 1.797 64.911 63.100 0.024 0.000 0.841 1257 P CB -0.126 31.579 31.700 0.008 0.000 0.784 1258 R N -0.678 119.842 120.500 0.033 0.000 2.090 1258 R HA -0.020 4.276 4.340 -0.073 0.000 0.219 1258 R C 1.971 178.291 176.300 0.033 0.000 1.100 1258 R CA 0.736 56.851 56.100 0.025 0.000 0.991 1258 R CB -0.654 29.655 30.300 0.015 0.000 0.893 1258 R HN -0.024 nan 8.270 nan 0.000 0.443 1259 V N 2.083 122.042 119.914 0.075 0.000 2.317 1259 V HA -0.336 3.740 4.120 -0.073 0.000 0.251 1259 V C 2.379 178.565 176.094 0.153 0.000 1.065 1259 V CA 1.616 63.984 62.300 0.114 0.000 1.049 1259 V CB -0.428 31.581 31.823 0.310 0.000 0.651 1259 V HN 0.312 nan 8.190 nan 0.000 0.450 1260 I N -0.007 120.667 120.570 0.173 0.000 2.133 1260 I HA -0.237 3.889 4.170 -0.073 0.000 0.238 1260 I C 2.566 178.754 176.117 0.117 0.000 1.074 1260 I CA 1.967 63.377 61.300 0.184 0.000 1.342 1260 I CB -1.492 36.575 38.000 0.111 0.000 1.053 1260 I HN 0.503 nan 8.210 nan 0.000 0.404 1261 E N 0.702 120.939 120.200 0.061 0.000 2.301 1261 E HA -0.270 4.036 4.350 -0.073 0.000 0.202 1261 E C 2.104 178.711 176.600 0.011 0.000 1.017 1261 E CA 1.399 57.818 56.400 0.032 0.000 0.831 1261 E CB 0.076 29.786 29.700 0.017 0.000 0.742 1261 E HN 0.279 nan 8.360 nan 0.000 0.491 1262 L N -0.655 120.556 121.223 -0.019 0.000 2.116 1262 L HA 0.056 4.352 4.340 -0.073 0.000 0.200 1262 L C 1.914 178.737 176.870 -0.079 0.000 1.084 1262 L CA 1.330 56.099 54.840 -0.117 0.000 0.766 1262 L CB -0.738 41.156 42.059 -0.275 0.000 0.930 1262 L HN 0.157 nan 8.230 nan 0.000 0.453 1263 F N -0.307 119.655 119.950 0.020 0.000 2.549 1263 F HA -0.178 4.305 4.527 -0.074 0.000 0.295 1263 F C 0.931 176.755 175.800 0.040 0.000 1.124 1263 F CA 0.690 58.710 58.000 0.033 0.000 1.482 1263 F CB 0.091 39.122 39.000 0.052 0.000 1.108 1263 F HN 0.211 nan 8.300 nan 0.000 0.602 1264 E N 0.264 120.575 120.200 0.184 0.000 3.909 1264 E HA 0.392 4.698 4.350 -0.073 0.000 0.236 1264 E C -0.210 176.435 176.600 0.075 0.000 1.222 1264 E CA -0.403 56.077 56.400 0.133 0.000 1.205 1264 E CB 0.347 30.122 29.700 0.124 0.000 1.249 1264 E HN 0.123 nan 8.360 nan 0.000 0.411 1265 A N 2.256 125.095 122.820 0.032 0.000 2.290 1265 A HA -0.182 4.094 4.320 -0.073 0.000 0.313 1265 A C 0.005 177.577 177.584 -0.019 0.000 0.837 1265 A CA 1.263 53.256 52.037 -0.073 0.000 1.319 1265 A CB -0.038 18.848 19.000 -0.191 0.000 0.671 1265 A HN 0.559 nan 8.150 nan 0.000 0.303 1266 R N 0.336 120.818 120.500 -0.031 0.000 2.764 1266 R HA 0.501 4.797 4.340 -0.073 0.000 0.270 1266 R C -0.245 176.074 176.300 0.031 0.000 1.014 1266 R CA -1.137 54.983 56.100 0.033 0.000 0.904 1266 R CB 1.187 31.511 30.300 0.041 0.000 1.236 1266 R HN 0.696 nan 8.270 nan 0.000 0.466 1267 R N 2.072 122.606 120.500 0.057 0.000 2.488 1267 R HA 0.149 4.445 4.340 -0.073 0.000 0.306 1267 R C -2.136 174.182 176.300 0.029 0.000 1.271 1267 R CA -1.009 55.120 56.100 0.048 0.000 1.022 1267 R CB -0.147 30.183 30.300 0.050 0.000 1.054 1267 R HN 0.280 nan 8.270 nan 0.000 0.500 1268 P HA -0.089 nan 4.420 nan 0.000 0.271 1268 P C 0.246 177.556 177.300 0.016 0.000 1.228 1268 P CA -0.255 62.857 63.100 0.020 0.000 0.797 1268 P CB 0.665 32.379 31.700 0.022 0.000 0.914 1269 K N 0.706 121.115 120.400 0.015 0.000 1.987 1269 K HA -0.056 4.220 4.320 -0.073 0.000 0.222 1269 K C 1.084 177.691 176.600 0.012 0.000 1.029 1269 K CA 1.598 57.893 56.287 0.013 0.000 1.011 1269 K CB -1.035 31.473 32.500 0.014 0.000 0.769 1269 K HN 0.506 nan 8.250 nan 0.000 0.444 1270 A N 3.461 126.288 122.820 0.011 0.000 3.077 1270 A HA -0.001 4.275 4.320 -0.073 0.000 0.255 1270 A C 0.274 177.859 177.584 0.002 0.000 1.728 1270 A CA -0.208 51.833 52.037 0.007 0.000 1.383 1270 A CB -0.703 18.302 19.000 0.007 0.000 1.097 1270 A HN 0.261 nan 8.150 nan 0.000 0.634 1271 K N 1.219 121.620 120.400 0.001 0.000 2.513 1271 K HA 0.030 4.306 4.320 -0.073 0.000 0.275 1271 K C -0.095 176.491 176.600 -0.023 0.000 1.025 1271 K CA 1.058 57.341 56.287 -0.008 0.000 1.125 1271 K CB 0.143 32.639 32.500 -0.006 0.000 0.843 1271 K HN 0.492 nan 8.250 nan 0.000 0.486 1272 A N 4.096 126.894 122.820 -0.036 0.000 2.306 1272 A HA 0.386 4.662 4.320 -0.073 0.000 0.314 1272 A C -0.135 177.392 177.584 -0.095 0.000 1.164 1272 A CA -0.560 51.444 52.037 -0.055 0.000 0.822 1272 A CB 1.051 20.022 19.000 -0.050 0.000 1.130 1272 A HN 0.761 nan 8.150 nan 0.000 0.496 1273 V N 1.914 121.753 119.914 -0.124 0.000 2.427 1273 V HA 0.469 4.545 4.120 -0.073 0.000 0.268 1273 V C 0.385 176.324 176.094 -0.257 0.000 1.046 1273 V CA -0.594 61.576 62.300 -0.216 0.000 0.970 1273 V CB -1.131 30.528 31.823 -0.273 0.000 1.001 1273 V HN 0.708 nan 8.190 nan 0.000 0.476 1274 I N 3.632 124.045 120.570 -0.262 0.000 3.639 1274 I HA 0.633 4.759 4.170 -0.073 0.000 0.181 1274 I C 0.759 176.697 176.117 -0.298 0.000 1.523 1274 I CA -0.323 60.842 61.300 -0.224 0.000 0.713 1274 I CB -0.291 37.609 38.000 -0.166 0.000 1.888 1274 I HN 0.684 nan 8.210 nan 0.000 0.943 1275 S N -1.177 114.424 115.700 -0.165 0.000 2.706 1275 S HA 0.332 4.758 4.470 -0.073 0.000 0.270 1275 S C 0.085 174.714 174.600 0.048 0.000 1.163 1275 S CA -0.547 57.629 58.200 -0.040 0.000 1.042 1275 S CB 0.499 63.700 63.200 0.001 0.000 1.079 1275 S HN 0.550 nan 8.310 nan 0.000 0.474 1276 E N 3.332 123.633 120.200 0.169 0.000 2.338 1276 E HA 0.028 4.334 4.350 -0.073 0.000 0.197 1276 E C 0.615 177.273 176.600 0.098 0.000 1.007 1276 E CA 0.901 57.381 56.400 0.133 0.000 0.849 1276 E CB 0.174 29.984 29.700 0.184 0.000 0.774 1276 E HN 0.625 nan 8.360 nan 0.000 0.506 1277 I N 0.567 121.180 120.570 0.072 0.000 4.216 1277 I HA 0.219 4.345 4.170 -0.073 0.000 0.234 1277 I C -0.578 175.475 176.117 -0.106 0.000 1.279 1277 I CA -1.065 60.209 61.300 -0.044 0.000 1.321 1277 I CB 1.055 38.958 38.000 -0.163 0.000 1.449 1277 I HN -0.106 nan 8.210 nan 0.000 0.506 1278 D N 0.156 120.418 120.400 -0.230 0.000 2.521 1278 D HA 0.474 5.070 4.640 -0.073 0.000 0.195 1278 D C -0.801 175.162 176.300 -0.563 0.000 1.286 1278 D CA -0.299 53.483 54.000 -0.364 0.000 0.854 1278 D CB 1.210 41.865 40.800 -0.241 0.000 1.723 1278 D HN 0.787 nan 8.370 nan 0.000 0.550 1279 G N 0.269 108.637 108.800 -0.718 0.000 2.529 1279 G HA2 0.461 4.377 3.960 -0.073 0.000 0.238 1279 G HA3 0.461 4.377 3.960 -0.073 0.000 0.238 1279 G C -0.593 174.073 174.900 -0.389 0.000 1.207 1279 G CA 0.018 44.770 45.100 -0.579 0.000 0.928 1279 G HN 0.406 nan 8.290 nan 0.000 0.495 1280 V N -0.812 119.020 119.914 -0.137 0.000 3.781 1280 V HA 0.701 4.777 4.120 -0.073 0.000 0.271 1280 V C 0.213 176.289 176.094 -0.030 0.000 0.951 1280 V CA -0.343 61.937 62.300 -0.035 0.000 0.896 1280 V CB 1.131 32.962 31.823 0.013 0.000 1.224 1280 V HN 0.705 nan 8.190 nan 0.000 0.403 1281 V N 0.336 120.255 119.914 0.009 0.000 2.891 1281 V HA 0.549 4.625 4.120 -0.073 0.000 0.304 1281 V C -0.651 175.461 176.094 0.030 0.000 1.171 1281 V CA -0.644 61.674 62.300 0.030 0.000 0.943 1281 V CB 2.044 33.881 31.823 0.023 0.000 1.037 1281 V HN 0.792 nan 8.190 nan 0.000 0.427 1282 R N 3.765 124.292 120.500 0.045 0.000 2.604 1282 R HA 0.772 5.068 4.340 -0.073 0.000 0.281 1282 R C -1.623 174.629 176.300 -0.079 0.000 1.020 1282 R CA -0.657 55.429 56.100 -0.024 0.000 0.899 1282 R CB 2.587 32.858 30.300 -0.047 0.000 1.205 1282 R HN 0.653 nan 8.270 nan 0.000 0.450 1283 I N 1.681 122.183 120.570 -0.115 0.000 2.509 1283 I HA 0.370 4.496 4.170 -0.073 0.000 0.293 1283 I C -0.207 175.801 176.117 -0.182 0.000 1.020 1283 I CA -1.012 60.213 61.300 -0.126 0.000 1.088 1283 I CB 2.155 40.126 38.000 -0.049 0.000 1.267 1283 I HN 0.291 nan 8.210 nan 0.000 0.430 1284 E N 4.889 124.962 120.200 -0.213 0.000 2.191 1284 E HA 0.161 4.467 4.350 -0.073 0.000 0.274 1284 E C -0.064 176.481 176.600 -0.093 0.000 0.948 1284 E CA -0.375 55.913 56.400 -0.186 0.000 0.802 1284 E CB 1.891 31.434 29.700 -0.263 0.000 1.137 1284 E HN 0.567 nan 8.360 nan 0.000 0.397 1285 E N 1.357 121.514 120.200 -0.072 0.000 2.349 1285 E HA 0.065 4.371 4.350 -0.073 0.000 0.201 1285 E C -0.664 175.920 176.600 -0.028 0.000 1.087 1285 E CA -0.297 56.078 56.400 -0.042 0.000 1.128 1285 E CB -0.350 29.328 29.700 -0.037 0.000 1.188 1285 E HN 0.074 nan 8.360 nan 0.000 0.445 1286 T N 2.044 116.583 114.554 -0.024 0.000 2.814 1286 T HA 0.062 4.368 4.350 -0.073 0.000 0.297 1286 T C 0.834 175.533 174.700 -0.002 0.000 0.956 1286 T CA -0.258 61.835 62.100 -0.011 0.000 1.123 1286 T CB 1.376 70.241 68.868 -0.004 0.000 0.902 1286 T HN 0.213 nan 8.240 nan 0.000 0.528 1287 E N 2.258 122.457 120.200 -0.002 0.000 2.088 1287 E HA -0.327 3.979 4.350 -0.073 0.000 0.247 1287 E C 1.841 178.444 176.600 0.006 0.000 0.834 1287 E CA 1.514 57.914 56.400 0.001 0.000 1.157 1287 E CB -0.200 29.501 29.700 0.002 0.000 0.821 1287 E HN 0.792 nan 8.360 nan 0.000 0.569 1288 E N 1.022 121.227 120.200 0.008 0.000 2.172 1288 E HA -0.238 4.068 4.350 -0.073 0.000 0.213 1288 E C 0.007 176.616 176.600 0.015 0.000 1.051 1288 E CA 1.535 57.942 56.400 0.011 0.000 0.860 1288 E CB 0.029 29.736 29.700 0.012 0.000 0.755 1288 E HN 0.116 nan 8.360 nan 0.000 0.462 1289 K N 0.643 121.055 120.400 0.019 0.000 2.502 1289 K HA 0.312 4.588 4.320 -0.073 0.000 0.254 1289 K C -0.688 175.931 176.600 0.031 0.000 0.947 1289 K CA -0.394 55.910 56.287 0.028 0.000 0.834 1289 K CB 1.974 34.495 32.500 0.035 0.000 1.112 1289 K HN 0.053 nan 8.250 nan 0.000 0.427 1290 L N 2.093 123.334 121.223 0.030 0.000 2.418 1290 L HA 0.424 4.720 4.340 -0.073 0.000 0.265 1290 L C -0.445 176.461 176.870 0.060 0.000 1.143 1290 L CA 0.137 54.995 54.840 0.029 0.000 0.809 1290 L CB 1.050 43.120 42.059 0.020 0.000 1.124 1290 L HN 0.763 nan 8.230 nan 0.000 0.456 1291 S N 2.559 118.301 115.700 0.070 0.000 2.588 1291 S HA 0.756 5.182 4.470 -0.073 0.000 0.275 1291 S C -0.953 173.752 174.600 0.175 0.000 1.130 1291 S CA -0.858 57.434 58.200 0.154 0.000 0.855 1291 S CB 1.792 65.138 63.200 0.243 0.000 1.116 1291 S HN 0.446 nan 8.310 nan 0.000 0.472 1292 V N 1.602 121.684 119.914 0.281 0.000 2.769 1292 V HA 0.702 4.778 4.120 -0.073 0.000 0.312 1292 V C -1.364 175.055 176.094 0.542 0.000 1.058 1292 V CA -0.619 61.859 62.300 0.296 0.000 0.952 1292 V CB 1.414 33.365 31.823 0.214 0.000 1.019 1292 V HN 0.849 nan 8.190 nan 0.000 0.445 1293 F N 1.451 121.410 119.950 0.016 0.000 2.540 1293 F HA 0.645 5.128 4.527 -0.073 0.000 0.317 1293 F C -0.142 175.633 175.800 -0.040 0.000 1.104 1293 F CA -1.091 56.889 58.000 -0.032 0.000 0.913 1293 F CB 2.134 41.112 39.000 -0.037 0.000 1.170 1293 F HN 0.117 nan 8.300 nan 0.000 0.450 1294 V N 3.455 123.371 119.914 0.003 0.000 2.398 1294 V HA 0.451 4.527 4.120 -0.073 0.000 0.286 1294 V C -0.632 175.399 176.094 -0.106 0.000 1.026 1294 V CA -0.666 61.599 62.300 -0.057 0.000 0.868 1294 V CB 1.550 33.314 31.823 -0.098 0.000 0.982 1294 V HN 0.671 nan 8.190 nan 0.000 0.443 1295 E N 2.872 123.020 120.200 -0.088 0.000 2.246 1295 E HA 0.584 4.890 4.350 -0.073 0.000 0.266 1295 E C -0.764 175.769 176.600 -0.113 0.000 0.880 1295 E CA -0.323 56.025 56.400 -0.087 0.000 0.762 1295 E CB 2.434 32.136 29.700 0.003 0.000 1.180 1295 E HN 0.611 nan 8.360 nan 0.000 0.416 1296 S N 1.311 116.918 115.700 -0.155 0.000 2.751 1296 S HA 0.163 4.589 4.470 -0.073 0.000 0.310 1296 S C 0.564 175.127 174.600 -0.062 0.000 1.128 1296 S CA -0.550 57.574 58.200 -0.126 0.000 0.931 1296 S CB 1.212 64.268 63.200 -0.240 0.000 1.177 1296 S HN 0.691 nan 8.310 nan 0.000 0.530 1297 E N 0.094 120.281 120.200 -0.022 0.000 2.512 1297 E HA 0.196 4.502 4.350 -0.073 0.000 0.195 1297 E C 1.000 177.620 176.600 0.034 0.000 1.083 1297 E CA 0.675 57.082 56.400 0.012 0.000 0.873 1297 E CB -0.354 29.360 29.700 0.023 0.000 0.897 1297 E HN 0.591 nan 8.360 nan 0.000 0.514 1298 G N 0.843 109.654 108.800 0.018 0.000 2.764 1298 G HA2 0.292 4.208 3.960 -0.073 0.000 0.218 1298 G HA3 0.292 4.208 3.960 -0.073 0.000 0.218 1298 G C 0.086 175.161 174.900 0.291 0.000 1.304 1298 G CA 0.160 45.362 45.100 0.169 0.000 0.847 1298 G HN 0.318 nan 8.290 nan 0.000 0.610 1299 F N -0.724 119.206 119.950 -0.034 0.000 2.631 1299 F HA 0.820 5.303 4.527 -0.073 0.000 0.308 1299 F C -0.579 175.171 175.800 -0.083 0.000 1.097 1299 F CA -1.296 56.670 58.000 -0.057 0.000 0.952 1299 F CB 1.605 40.566 39.000 -0.065 0.000 1.307 1299 F HN -0.017 nan 8.300 nan 0.000 0.450 1300 S N 0.939 116.647 115.700 0.014 0.000 2.638 1300 S HA 0.743 5.168 4.470 -0.073 0.000 0.298 1300 S C -1.155 173.323 174.600 -0.204 0.000 1.111 1300 S CA -0.782 57.338 58.200 -0.134 0.000 1.027 1300 S CB 1.856 64.983 63.200 -0.121 0.000 1.064 1300 S HN 0.632 nan 8.310 nan 0.000 0.525 1301 K N 1.602 121.770 120.400 -0.386 0.000 2.501 1301 K HA 0.276 4.552 4.320 -0.073 0.000 0.252 1301 K C -1.444 174.670 176.600 -0.810 0.000 0.934 1301 K CA -0.453 55.506 56.287 -0.546 0.000 0.797 1301 K CB 1.470 33.620 32.500 -0.582 0.000 1.270 1301 K HN 0.508 nan 8.250 nan 0.000 0.431 1302 E N 4.598 124.333 120.200 -0.775 0.000 2.115 1302 E HA 0.117 4.423 4.350 -0.073 0.000 0.282 1302 E C -1.217 175.170 176.600 -0.355 0.000 0.987 1302 E CA -0.273 55.713 56.400 -0.690 0.000 0.797 1302 E CB 0.497 29.879 29.700 -0.530 0.000 1.086 1302 E HN 0.643 nan 8.360 nan 0.000 0.397 1303 Y N 4.846 125.118 120.300 -0.048 0.000 2.417 1303 Y HA 0.120 4.626 4.550 -0.073 0.000 0.336 1303 Y C 0.557 176.488 175.900 0.052 0.000 0.961 1303 Y CA -1.248 56.853 58.100 0.002 0.000 1.215 1303 Y CB 1.057 39.519 38.460 0.004 0.000 1.120 1303 Y HN 0.301 nan 8.280 nan 0.000 0.499 1304 K N 5.422 125.942 120.400 0.201 0.000 2.228 1304 K HA 0.179 4.455 4.320 -0.073 0.000 0.284 1304 K C -1.048 175.614 176.600 0.103 0.000 1.088 1304 K CA 0.271 56.639 56.287 0.135 0.000 0.941 1304 K CB 0.153 32.710 32.500 0.096 0.000 1.158 1304 K HN 0.697 nan 8.250 nan 0.000 0.438 1305 L N 5.071 126.351 121.223 0.095 0.000 2.265 1305 L HA 0.287 4.583 4.340 -0.073 0.000 0.289 1305 L C -2.119 174.777 176.870 0.043 0.000 1.033 1305 L CA -2.345 52.530 54.840 0.058 0.000 0.814 1305 L CB 1.500 43.590 42.059 0.052 0.000 1.203 1305 L HN 0.307 nan 8.230 nan 0.000 0.423 1306 P HA -0.044 nan 4.420 nan 0.000 0.265 1306 P C 0.365 177.676 177.300 0.019 0.000 1.193 1306 P CA -0.357 62.758 63.100 0.024 0.000 0.765 1306 P CB 0.428 32.139 31.700 0.018 0.000 0.823 1307 K N 4.679 125.089 120.400 0.017 0.000 2.259 1307 K HA -0.269 4.007 4.320 -0.073 0.000 0.206 1307 K C 0.799 177.406 176.600 0.010 0.000 1.044 1307 K CA 2.064 58.359 56.287 0.013 0.000 0.931 1307 K CB -0.746 31.761 32.500 0.011 0.000 0.726 1307 K HN 0.530 nan 8.250 nan 0.000 0.467 1308 E N 1.100 121.306 120.200 0.009 0.000 2.028 1308 E HA 0.052 4.358 4.350 -0.073 0.000 0.190 1308 E C 0.939 177.543 176.600 0.007 0.000 0.984 1308 E CA 0.520 56.924 56.400 0.007 0.000 0.800 1308 E CB -0.197 29.506 29.700 0.005 0.000 0.758 1308 E HN 0.459 nan 8.360 nan 0.000 0.448 1309 A N 2.249 125.074 122.820 0.007 0.000 2.583 1309 A HA -0.033 4.243 4.320 -0.073 0.000 0.231 1309 A C 0.248 177.836 177.584 0.006 0.000 1.065 1309 A CA 0.359 52.399 52.037 0.005 0.000 0.760 1309 A CB -0.025 18.977 19.000 0.004 0.000 1.001 1309 A HN 0.254 nan 8.150 nan 0.000 0.509 1310 R N 1.371 121.874 120.500 0.004 0.000 2.393 1310 R HA 0.603 4.899 4.340 -0.073 0.000 0.315 1310 R C -1.095 175.207 176.300 0.004 0.000 0.952 1310 R CA -0.661 55.442 56.100 0.005 0.000 0.842 1310 R CB 0.593 30.896 30.300 0.006 0.000 1.163 1310 R HN 0.632 nan 8.270 nan 0.000 0.450 1311 L N 1.182 122.408 121.223 0.006 0.000 2.295 1311 L HA 0.436 4.732 4.340 -0.073 0.000 0.285 1311 L C 0.466 177.339 176.870 0.005 0.000 1.035 1311 L CA -0.953 53.890 54.840 0.005 0.000 0.806 1311 L CB 1.204 43.269 42.059 0.011 0.000 1.214 1311 L HN 0.648 nan 8.230 nan 0.000 0.426 1312 L N 2.645 123.869 121.223 0.002 0.000 2.240 1312 L HA 0.125 4.421 4.340 -0.073 0.000 0.211 1312 L C 1.065 177.938 176.870 0.006 0.000 1.106 1312 L CA 0.402 55.244 54.840 0.004 0.000 0.793 1312 L CB 0.203 42.263 42.059 0.001 0.000 0.927 1312 L HN 0.622 nan 8.230 nan 0.000 0.446 1313 V N 1.191 121.109 119.914 0.006 0.000 2.904 1313 V HA 0.287 4.363 4.120 -0.073 0.000 0.305 1313 V C -0.279 175.823 176.094 0.012 0.000 1.067 1313 V CA -0.642 61.664 62.300 0.010 0.000 1.044 1313 V CB 1.490 33.320 31.823 0.011 0.000 1.050 1313 V HN 0.185 nan 8.190 nan 0.000 0.475 1314 K N 3.210 123.618 120.400 0.013 0.000 2.375 1314 K HA 0.384 4.660 4.320 -0.073 0.000 0.249 1314 K C -0.689 175.918 176.600 0.012 0.000 0.942 1314 K CA -0.733 55.560 56.287 0.011 0.000 0.806 1314 K CB 1.475 33.980 32.500 0.009 0.000 1.227 1314 K HN 0.586 nan 8.250 nan 0.000 0.430 1315 D N 1.297 121.701 120.400 0.006 0.000 2.419 1315 D HA 0.064 4.660 4.640 -0.073 0.000 0.281 1315 D C 0.551 176.856 176.300 0.008 0.000 1.398 1315 D CA 1.822 55.824 54.000 0.004 0.000 1.047 1315 D CB -0.143 40.651 40.800 -0.009 0.000 1.115 1315 D HN 0.860 nan 8.370 nan 0.000 0.540 1316 G N 3.531 112.340 108.800 0.016 0.000 3.819 1316 G HA2 -0.138 3.778 3.960 -0.073 0.000 0.210 1316 G HA3 -0.138 3.778 3.960 -0.073 0.000 0.210 1316 G C 0.144 175.066 174.900 0.036 0.000 1.018 1316 G CA -0.424 44.689 45.100 0.022 0.000 0.882 1316 G HN 0.423 nan 8.290 nan 0.000 0.377 1317 D N -0.540 119.884 120.400 0.040 0.000 2.440 1317 D HA 0.520 5.116 4.640 -0.073 0.000 0.258 1317 D C -1.080 175.273 176.300 0.090 0.000 1.092 1317 D CA -0.353 53.689 54.000 0.070 0.000 1.016 1317 D CB 1.622 42.460 40.800 0.063 0.000 1.141 1317 D HN 0.069 nan 8.370 nan 0.000 0.552 1318 Y N 0.972 121.270 120.300 -0.004 0.000 2.327 1318 Y HA 0.326 4.832 4.550 -0.073 0.000 0.336 1318 Y C -0.342 175.554 175.900 -0.006 0.000 1.035 1318 Y CA -0.522 57.573 58.100 -0.008 0.000 1.165 1318 Y CB 0.655 39.107 38.460 -0.012 0.000 1.181 1318 Y HN -0.003 nan 8.280 nan 0.000 0.494 1319 V N 3.237 123.030 119.914 -0.201 0.000 2.384 1319 V HA 0.493 4.569 4.120 -0.073 0.000 0.287 1319 V C -0.333 175.688 176.094 -0.122 0.000 1.020 1319 V CA -1.185 61.066 62.300 -0.082 0.000 0.850 1319 V CB 1.119 32.892 31.823 -0.083 0.000 0.987 1319 V HN 0.700 nan 8.190 nan 0.000 0.436 1320 E N 3.137 123.376 120.200 0.065 0.000 2.436 1320 E HA 0.440 4.746 4.350 -0.073 0.000 0.262 1320 E C 0.787 177.387 176.600 -0.001 0.000 1.063 1320 E CA 0.551 57.005 56.400 0.091 0.000 0.944 1320 E CB 0.564 30.326 29.700 0.104 0.000 0.950 1320 E HN 1.158 nan 8.360 nan 0.000 0.444 1321 A N 2.384 125.207 122.820 0.005 0.000 2.561 1321 A HA 0.357 4.633 4.320 -0.073 0.000 0.251 1321 A C 1.250 178.826 177.584 -0.013 0.000 1.062 1321 A CA 0.800 52.831 52.037 -0.010 0.000 0.761 1321 A CB -0.916 18.092 19.000 0.012 0.000 0.986 1321 A HN 0.923 nan 8.150 nan 0.000 0.510 1322 G N 1.467 110.249 108.800 -0.029 0.000 2.131 1322 G HA2 -0.195 3.721 3.960 -0.073 0.000 0.223 1322 G HA3 -0.195 3.721 3.960 -0.073 0.000 0.223 1322 G C 0.165 175.018 174.900 -0.079 0.000 0.990 1322 G CA 0.362 45.430 45.100 -0.055 0.000 0.671 1322 G HN 0.949 nan 8.290 nan 0.000 0.521 1323 Q N 0.144 119.906 119.800 -0.063 0.000 2.306 1323 Q HA 0.415 4.711 4.340 -0.073 0.000 0.241 1323 Q C -2.355 173.596 176.000 -0.082 0.000 0.948 1323 Q CA -1.615 54.151 55.803 -0.062 0.000 0.886 1323 Q CB 1.226 29.943 28.738 -0.035 0.000 1.227 1323 Q HN 0.183 nan 8.270 nan 0.000 0.457 1324 P HA 0.048 nan 4.420 nan 0.000 0.279 1324 P C -0.545 176.719 177.300 -0.061 0.000 1.239 1324 P CA -0.027 63.024 63.100 -0.082 0.000 0.789 1324 P CB 0.855 32.514 31.700 -0.068 0.000 0.933 1325 L N 0.353 121.532 121.223 -0.072 0.000 2.586 1325 L HA 0.187 4.483 4.340 -0.073 0.000 0.204 1325 L C 1.286 178.135 176.870 -0.034 0.000 1.053 1325 L CA 1.362 56.175 54.840 -0.046 0.000 0.856 1325 L CB -1.185 40.841 42.059 -0.055 0.000 1.192 1325 L HN 0.290 nan 8.230 nan 0.000 0.484 1326 T N -0.200 114.324 114.554 -0.050 0.000 2.885 1326 T HA 0.211 4.517 4.350 -0.073 0.000 0.356 1326 T C 0.232 174.919 174.700 -0.023 0.000 1.137 1326 T CA -0.253 61.828 62.100 -0.032 0.000 1.014 1326 T CB 0.436 69.279 68.868 -0.042 0.000 1.410 1326 T HN -0.000 nan 8.240 nan 0.000 0.532 1327 R N -0.148 120.344 120.500 -0.013 0.000 2.521 1327 R HA 0.526 4.822 4.340 -0.073 0.000 0.295 1327 R C -0.300 176.000 176.300 0.000 0.000 1.183 1327 R CA -0.160 55.937 56.100 -0.004 0.000 0.957 1327 R CB 0.383 30.684 30.300 0.002 0.000 1.171 1327 R HN 0.923 nan 8.270 nan 0.000 0.494 1328 G N 1.379 110.180 108.800 0.001 0.000 2.485 1328 G HA2 0.483 4.399 3.960 -0.073 0.000 0.182 1328 G HA3 0.483 4.399 3.960 -0.073 0.000 0.182 1328 G C -1.654 173.258 174.900 0.020 0.000 1.172 1328 G CA -0.046 45.060 45.100 0.010 0.000 0.996 1328 G HN 0.600 nan 8.290 nan 0.000 0.496 1329 A N -0.772 122.063 122.820 0.026 0.000 2.269 1329 A HA 0.857 5.133 4.320 -0.073 0.000 0.327 1329 A C -0.459 177.131 177.584 0.011 0.000 1.112 1329 A CA -0.588 51.482 52.037 0.055 0.000 0.865 1329 A CB 0.641 19.687 19.000 0.077 0.000 1.227 1329 A HN 0.734 nan 8.150 nan 0.000 0.498 1330 I N 0.783 121.357 120.570 0.006 0.000 2.441 1330 I HA 0.232 4.358 4.170 -0.073 0.000 0.295 1330 I C -0.640 175.454 176.117 -0.038 0.000 0.994 1330 I CA -0.666 60.566 61.300 -0.113 0.000 1.144 1330 I CB 1.779 39.541 38.000 -0.396 0.000 1.314 1330 I HN 0.682 nan 8.210 nan 0.000 0.445 1331 D N 7.953 128.325 120.400 -0.047 0.000 2.390 1331 D HA 0.151 4.747 4.640 -0.073 0.000 0.249 1331 D C -1.851 174.415 176.300 -0.056 0.000 1.144 1331 D CA -1.871 52.113 54.000 -0.027 0.000 0.880 1331 D CB 1.603 42.404 40.800 0.002 0.000 1.182 1331 D HN 0.147 nan 8.370 nan 0.000 0.451 1332 P HA -0.217 nan 4.420 nan 0.000 0.213 1332 P C 1.133 178.384 177.300 -0.082 0.000 1.176 1332 P CA 1.533 64.574 63.100 -0.099 0.000 0.919 1332 P CB -0.027 31.541 31.700 -0.220 0.000 0.791 1333 H N -0.243 118.846 119.070 0.032 0.000 2.289 1333 H HA -0.188 4.324 4.556 -0.073 0.000 0.294 1333 H C 2.052 177.384 175.328 0.007 0.000 1.095 1333 H CA 1.617 57.678 56.048 0.022 0.000 1.256 1333 H CB -1.076 28.698 29.762 0.020 0.000 1.359 1333 H HN 0.343 nan 8.280 nan 0.000 0.487 1334 Q N 0.115 119.983 119.800 0.114 0.000 2.030 1334 Q HA -0.124 4.172 4.340 -0.073 0.000 0.204 1334 Q C 2.638 178.642 176.000 0.007 0.000 0.986 1334 Q CA 1.111 56.940 55.803 0.043 0.000 0.843 1334 Q CB -0.343 28.395 28.738 -0.000 0.000 0.904 1334 Q HN 0.350 nan 8.270 nan 0.000 0.420 1335 L N 0.921 122.124 121.223 -0.033 0.000 2.353 1335 L HA -0.165 4.131 4.340 -0.073 0.000 0.220 1335 L C 2.102 178.964 176.870 -0.013 0.000 1.133 1335 L CA 0.269 55.069 54.840 -0.066 0.000 0.798 1335 L CB -0.047 41.919 42.059 -0.155 0.000 0.922 1335 L HN 0.205 nan 8.230 nan 0.000 0.445 1336 L N -0.255 120.987 121.223 0.030 0.000 1.982 1336 L HA -0.157 4.138 4.340 -0.073 0.000 0.206 1336 L C 2.287 179.187 176.870 0.050 0.000 1.078 1336 L CA 1.734 56.607 54.840 0.056 0.000 0.749 1336 L CB -0.608 41.511 42.059 0.100 0.000 0.894 1336 L HN 0.084 nan 8.230 nan 0.000 0.436 1337 E N 0.182 120.416 120.200 0.056 0.000 2.130 1337 E HA -0.218 4.088 4.350 -0.073 0.000 0.196 1337 E C 2.067 178.690 176.600 0.038 0.000 0.998 1337 E CA 1.603 58.031 56.400 0.047 0.000 0.806 1337 E CB -0.622 29.106 29.700 0.046 0.000 0.738 1337 E HN 0.661 nan 8.360 nan 0.000 0.459 1338 A N 0.017 122.854 122.820 0.027 0.000 1.855 1338 A HA -0.090 4.186 4.320 -0.073 0.000 0.213 1338 A C 2.087 179.681 177.584 0.016 0.000 1.195 1338 A CA 1.621 53.670 52.037 0.020 0.000 0.610 1338 A CB -0.183 18.817 19.000 -0.000 0.000 0.837 1338 A HN 0.128 nan 8.150 nan 0.000 0.444 1339 K N -2.271 118.132 120.400 0.006 0.000 2.172 1339 K HA 0.376 4.652 4.320 -0.073 0.000 0.203 1339 K C 0.605 177.218 176.600 0.022 0.000 1.040 1339 K CA 0.840 57.133 56.287 0.009 0.000 0.974 1339 K CB 0.407 32.903 32.500 -0.006 0.000 0.857 1339 K HN 0.709 nan 8.250 nan 0.000 0.464 1340 G N -0.455 108.362 108.800 0.028 0.000 2.340 1340 G HA2 -0.090 3.826 3.960 -0.073 0.000 0.527 1340 G HA3 -0.090 3.826 3.960 -0.073 0.000 0.527 1340 G C -2.690 172.238 174.900 0.046 0.000 1.381 1340 G CA -0.746 44.379 45.100 0.040 0.000 1.001 1340 G HN -0.105 nan 8.290 nan 0.000 0.626 1341 P HA -0.157 nan 4.420 nan 0.000 0.205 1341 P C 1.650 178.978 177.300 0.047 0.000 1.046 1341 P CA 2.306 65.441 63.100 0.058 0.000 0.968 1341 P CB -0.001 31.738 31.700 0.064 0.000 0.753 1342 E N -0.429 119.793 120.200 0.035 0.000 2.196 1342 E HA -0.294 4.012 4.350 -0.073 0.000 0.222 1342 E C 2.063 178.683 176.600 0.033 0.000 1.072 1342 E CA 2.238 58.652 56.400 0.023 0.000 0.902 1342 E CB -1.660 28.041 29.700 0.003 0.000 0.780 1342 E HN 0.276 nan 8.360 nan 0.000 0.467 1343 A N 0.506 123.347 122.820 0.035 0.000 1.865 1343 A HA -0.204 4.072 4.320 -0.073 0.000 0.217 1343 A C 2.597 180.224 177.584 0.071 0.000 1.191 1343 A CA 1.968 54.030 52.037 0.043 0.000 0.623 1343 A CB -0.974 18.041 19.000 0.026 0.000 0.826 1343 A HN 0.151 nan 8.150 nan 0.000 0.444 1344 V N 0.245 120.200 119.914 0.068 0.000 2.282 1344 V HA -0.339 3.736 4.120 -0.073 0.000 0.249 1344 V C 2.446 178.603 176.094 0.106 0.000 1.057 1344 V CA 2.512 64.871 62.300 0.097 0.000 1.032 1344 V CB -1.047 30.820 31.823 0.073 0.000 0.645 1344 V HN 0.667 nan 8.190 nan 0.000 0.447 1345 E N -0.065 120.177 120.200 0.069 0.000 2.021 1345 E HA -0.322 3.984 4.350 -0.073 0.000 0.200 1345 E C 2.378 179.001 176.600 0.038 0.000 1.015 1345 E CA 1.747 58.175 56.400 0.047 0.000 0.824 1345 E CB -0.313 29.412 29.700 0.041 0.000 0.762 1345 E HN 0.347 nan 8.360 nan 0.000 0.454 1346 R N -0.076 120.454 120.500 0.050 0.000 2.211 1346 R HA -0.214 4.082 4.340 -0.073 0.000 0.240 1346 R C 2.032 178.369 176.300 0.063 0.000 1.144 1346 R CA 1.210 57.337 56.100 0.044 0.000 0.992 1346 R CB -0.348 29.985 30.300 0.054 0.000 0.869 1346 R HN 0.301 nan 8.270 nan 0.000 0.462 1347 Y N -0.533 119.751 120.300 -0.026 0.000 2.177 1347 Y HA -0.020 4.486 4.550 -0.073 0.000 0.291 1347 Y C 1.545 177.410 175.900 -0.059 0.000 1.117 1347 Y CA 1.177 59.255 58.100 -0.036 0.000 1.114 1347 Y CB -0.517 37.922 38.460 -0.034 0.000 1.017 1347 Y HN 0.001 nan 8.280 nan 0.000 0.505 1348 L N -0.481 120.633 121.223 -0.182 0.000 2.081 1348 L HA -0.240 4.056 4.340 -0.073 0.000 0.212 1348 L C 2.330 179.014 176.870 -0.310 0.000 1.080 1348 L CA 1.487 56.156 54.840 -0.285 0.000 0.754 1348 L CB -1.148 40.832 42.059 -0.133 0.000 0.893 1348 L HN 0.161 nan 8.230 nan 0.000 0.433 1349 V N -0.991 118.804 119.914 -0.197 0.000 2.227 1349 V HA -0.278 3.798 4.120 -0.073 0.000 0.238 1349 V C 2.292 178.266 176.094 -0.200 0.000 1.039 1349 V CA 1.682 63.881 62.300 -0.169 0.000 0.990 1349 V CB -0.673 31.099 31.823 -0.085 0.000 0.635 1349 V HN 0.313 nan 8.190 nan 0.000 0.453 1350 E N -0.392 119.715 120.200 -0.155 0.000 2.301 1350 E HA -0.287 4.019 4.350 -0.073 0.000 0.202 1350 E C 2.035 178.520 176.600 -0.191 0.000 1.017 1350 E CA 1.473 57.791 56.400 -0.135 0.000 0.831 1350 E CB -0.097 29.560 29.700 -0.071 0.000 0.742 1350 E HN 0.596 nan 8.360 nan 0.000 0.491 1351 E N -0.171 119.826 120.200 -0.340 0.000 2.190 1351 E HA -0.005 4.301 4.350 -0.073 0.000 0.191 1351 E C 1.646 178.092 176.600 -0.256 0.000 0.978 1351 E CA 0.582 56.755 56.400 -0.379 0.000 0.839 1351 E CB -0.021 29.223 29.700 -0.762 0.000 0.787 1351 E HN 0.279 nan 8.360 nan 0.000 0.473 1352 I N 0.475 120.873 120.570 -0.287 0.000 2.163 1352 I HA -0.251 3.874 4.170 -0.073 0.000 0.240 1352 I C 2.447 178.497 176.117 -0.111 0.000 1.081 1352 I CA 0.975 62.132 61.300 -0.238 0.000 1.353 1352 I CB -0.288 37.450 38.000 -0.436 0.000 1.054 1352 I HN 0.175 nan 8.210 nan 0.000 0.407 1353 Q N 0.836 120.537 119.800 -0.165 0.000 2.268 1353 Q HA -0.286 4.010 4.340 -0.073 0.000 0.213 1353 Q C 2.151 178.164 176.000 0.022 0.000 0.995 1353 Q CA 1.570 57.320 55.803 -0.089 0.000 0.901 1353 Q CB -0.200 28.477 28.738 -0.102 0.000 0.921 1353 Q HN 0.445 nan 8.270 nan 0.000 0.421 1354 K N -0.203 120.192 120.400 -0.008 0.000 2.063 1354 K HA -0.128 4.148 4.320 -0.073 0.000 0.208 1354 K C 2.145 178.785 176.600 0.066 0.000 1.048 1354 K CA 1.163 57.460 56.287 0.017 0.000 0.928 1354 K CB -0.420 32.072 32.500 -0.014 0.000 0.713 1354 K HN 0.135 nan 8.250 nan 0.000 0.442 1355 V N 0.456 120.437 119.914 0.111 0.000 2.358 1355 V HA -0.235 3.841 4.120 -0.073 0.000 0.246 1355 V C 2.159 178.327 176.094 0.123 0.000 1.047 1355 V CA 1.568 63.937 62.300 0.114 0.000 1.035 1355 V CB -0.705 31.196 31.823 0.130 0.000 0.658 1355 V HN 0.134 nan 8.190 nan 0.000 0.452 1356 Y N 1.028 121.331 120.300 0.005 0.000 2.181 1356 Y HA -0.156 4.350 4.550 -0.074 0.000 0.288 1356 Y C 2.684 178.593 175.900 0.015 0.000 1.146 1356 Y CA 1.370 59.482 58.100 0.020 0.000 1.164 1356 Y CB -0.619 37.859 38.460 0.030 0.000 0.982 1356 Y HN 0.167 nan 8.280 nan 0.000 0.515 1357 R N -0.147 120.451 120.500 0.163 0.000 2.092 1357 R HA -0.062 4.234 4.340 -0.073 0.000 0.231 1357 R C 2.340 178.673 176.300 0.054 0.000 1.119 1357 R CA 1.023 57.174 56.100 0.086 0.000 0.970 1357 R CB -0.665 29.668 30.300 0.055 0.000 0.864 1357 R HN 0.236 nan 8.270 nan 0.000 0.440 1358 A N 1.072 123.921 122.820 0.048 0.000 2.272 1358 A HA -0.141 4.135 4.320 -0.073 0.000 0.213 1358 A C 0.969 178.562 177.584 0.016 0.000 1.183 1358 A CA 1.097 53.151 52.037 0.028 0.000 0.719 1358 A CB -0.054 18.961 19.000 0.024 0.000 0.771 1358 A HN 0.359 nan 8.150 nan 0.000 0.484 1359 Q N -2.165 117.645 119.800 0.016 0.000 2.088 1359 Q HA 0.310 4.606 4.340 -0.073 0.000 0.270 1359 Q C 0.890 176.900 176.000 0.017 0.000 0.854 1359 Q CA 0.178 55.982 55.803 0.002 0.000 1.104 1359 Q CB 0.460 29.177 28.738 -0.035 0.000 1.251 1359 Q HN 0.774 nan 8.270 nan 0.000 0.436 1360 G N 0.959 109.779 108.800 0.033 0.000 2.322 1360 G HA2 -0.341 3.575 3.960 -0.073 0.000 0.264 1360 G HA3 -0.341 3.575 3.960 -0.073 0.000 0.264 1360 G C 0.561 175.496 174.900 0.058 0.000 0.992 1360 G CA 0.546 45.671 45.100 0.041 0.000 0.624 1360 G HN 0.319 nan 8.290 nan 0.000 0.543 1361 V N 2.512 122.469 119.914 0.071 0.000 2.441 1361 V HA 0.169 4.245 4.120 -0.073 0.000 0.279 1361 V C 0.499 176.671 176.094 0.130 0.000 0.990 1361 V CA 0.305 62.670 62.300 0.108 0.000 1.116 1361 V CB 0.680 32.594 31.823 0.151 0.000 0.977 1361 V HN 0.256 nan 8.190 nan 0.000 0.470 1362 K N 6.135 126.594 120.400 0.098 0.000 2.250 1362 K HA 0.446 4.722 4.320 -0.073 0.000 0.280 1362 K C -0.590 176.070 176.600 0.100 0.000 1.098 1362 K CA -0.402 55.935 56.287 0.084 0.000 0.916 1362 K CB 1.058 33.596 32.500 0.065 0.000 1.209 1362 K HN 0.607 nan 8.250 nan 0.000 0.461 1363 L N 0.899 122.184 121.223 0.104 0.000 2.362 1363 L HA 0.440 4.736 4.340 -0.073 0.000 0.275 1363 L C -0.179 176.748 176.870 0.095 0.000 0.998 1363 L CA -0.523 54.398 54.840 0.134 0.000 0.820 1363 L CB 1.422 43.569 42.059 0.147 0.000 1.270 1363 L HN 0.453 nan 8.230 nan 0.000 0.415 1364 H N 2.345 121.444 119.070 0.049 0.000 2.871 1364 H HA 0.081 4.593 4.556 -0.074 0.000 0.355 1364 H C -0.074 175.183 175.328 -0.119 0.000 1.092 1364 H CA 0.675 56.675 56.048 -0.080 0.000 1.420 1364 H CB 1.154 30.777 29.762 -0.231 0.000 1.400 1364 H HN 0.843 nan 8.280 nan 0.000 0.604 1365 D N 3.596 123.989 120.400 -0.010 0.000 2.117 1365 D HA -0.172 4.424 4.640 -0.073 0.000 0.197 1365 D C 2.055 178.411 176.300 0.093 0.000 0.987 1365 D CA 1.505 55.530 54.000 0.042 0.000 0.829 1365 D CB 0.133 40.896 40.800 -0.061 0.000 0.961 1365 D HN 0.691 nan 8.370 nan 0.000 0.460 1366 K N 0.474 120.944 120.400 0.117 0.000 2.107 1366 K HA -0.264 4.012 4.320 -0.073 0.000 0.211 1366 K C 1.819 178.369 176.600 -0.083 0.000 1.049 1366 K CA 1.397 57.566 56.287 -0.198 0.000 0.927 1366 K CB -0.736 31.354 32.500 -0.684 0.000 0.714 1366 K HN 0.258 nan 8.250 nan 0.000 0.452 1367 H N 1.344 120.427 119.070 0.022 0.000 2.290 1367 H HA -0.056 4.456 4.556 -0.074 0.000 0.298 1367 H C 2.356 177.728 175.328 0.073 0.000 1.087 1367 H CA 1.781 57.862 56.048 0.055 0.000 1.291 1367 H CB -0.432 29.361 29.762 0.051 0.000 1.369 1367 H HN 0.278 nan 8.280 nan 0.000 0.492 1368 I N 0.815 121.499 120.570 0.190 0.000 2.394 1368 I HA -0.185 3.941 4.170 -0.073 0.000 0.251 1368 I C 2.203 178.409 176.117 0.148 0.000 1.136 1368 I CA 0.987 62.392 61.300 0.175 0.000 1.425 1368 I CB -0.329 37.706 38.000 0.059 0.000 1.079 1368 I HN 0.269 nan 8.210 nan 0.000 0.425 1369 E N 1.326 121.582 120.200 0.094 0.000 2.031 1369 E HA -0.202 4.104 4.350 -0.073 0.000 0.193 1369 E C 2.347 179.009 176.600 0.104 0.000 0.994 1369 E CA 1.172 57.617 56.400 0.075 0.000 0.800 1369 E CB -0.100 29.624 29.700 0.040 0.000 0.752 1369 E HN 0.347 nan 8.360 nan 0.000 0.447 1370 I N 1.249 121.894 120.570 0.125 0.000 2.113 1370 I HA -0.295 3.831 4.170 -0.073 0.000 0.242 1370 I C 2.518 178.708 176.117 0.122 0.000 1.057 1370 I CA 1.348 62.733 61.300 0.141 0.000 1.314 1370 I CB -1.183 36.934 38.000 0.195 0.000 1.022 1370 I HN 0.021 nan 8.210 nan 0.000 0.408 1371 V N 0.341 120.339 119.914 0.140 0.000 2.244 1371 V HA -0.227 3.849 4.120 -0.073 0.000 0.244 1371 V C 2.638 178.830 176.094 0.162 0.000 1.042 1371 V CA 1.404 63.786 62.300 0.136 0.000 1.006 1371 V CB -0.450 31.459 31.823 0.143 0.000 0.641 1371 V HN 0.179 nan 8.190 nan 0.000 0.446 1372 V N 1.528 121.556 119.914 0.191 0.000 2.317 1372 V HA -0.366 3.710 4.120 -0.073 0.000 0.251 1372 V C 2.693 178.856 176.094 0.115 0.000 1.065 1372 V CA 2.736 65.128 62.300 0.153 0.000 1.049 1372 V CB -1.077 30.806 31.823 0.099 0.000 0.651 1372 V HN 0.744 nan 8.190 nan 0.000 0.450 1373 R N 0.255 120.811 120.500 0.094 0.000 2.211 1373 R HA -0.224 4.072 4.340 -0.073 0.000 0.240 1373 R C 1.937 178.278 176.300 0.069 0.000 1.144 1373 R CA 1.707 57.848 56.100 0.069 0.000 0.992 1373 R CB -0.410 29.924 30.300 0.056 0.000 0.869 1373 R HN 0.479 nan 8.270 nan 0.000 0.462 1374 Q N 0.606 120.461 119.800 0.092 0.000 2.245 1374 Q HA 0.015 4.311 4.340 -0.073 0.000 0.201 1374 Q C 2.026 178.127 176.000 0.170 0.000 0.955 1374 Q CA 1.184 57.048 55.803 0.103 0.000 0.870 1374 Q CB -0.132 28.669 28.738 0.105 0.000 0.945 1374 Q HN 0.503 nan 8.270 nan 0.000 0.461 1375 M N -0.573 119.126 119.600 0.165 0.000 2.460 1375 M HA 0.016 4.452 4.480 -0.073 0.000 0.263 1375 M C 0.963 177.375 176.300 0.187 0.000 1.071 1375 M CA 0.891 56.302 55.300 0.185 0.000 1.096 1375 M CB 0.225 32.919 32.600 0.157 0.000 1.408 1375 M HN 0.069 nan 8.290 nan 0.000 0.463 1376 M N 0.036 119.721 119.600 0.141 0.000 2.785 1376 M HA 0.143 4.579 4.480 -0.073 0.000 0.374 1376 M C 0.429 176.755 176.300 0.044 0.000 1.221 1376 M CA 0.180 55.544 55.300 0.106 0.000 0.912 1376 M CB 0.013 32.656 32.600 0.071 0.000 1.355 1376 M HN 0.123 nan 8.290 nan 0.000 0.513 1377 K N -0.400 120.015 120.400 0.026 0.000 2.675 1377 K HA 0.274 4.550 4.320 -0.073 0.000 0.213 1377 K C -1.201 175.098 176.600 -0.502 0.000 1.074 1377 K CA -0.032 56.123 56.287 -0.220 0.000 1.172 1377 K CB 0.219 32.559 32.500 -0.266 0.000 0.927 1377 K HN 0.094 nan 8.250 nan 0.000 0.471 1378 Y N -0.088 120.199 120.300 -0.022 0.000 2.470 1378 Y HA 0.403 4.909 4.550 -0.073 0.000 0.341 1378 Y C -0.789 175.069 175.900 -0.071 0.000 1.021 1378 Y CA -1.257 56.830 58.100 -0.021 0.000 1.025 1378 Y CB 2.525 40.992 38.460 0.012 0.000 1.266 1378 Y HN 0.018 nan 8.280 nan 0.000 0.448 1379 V N -0.806 119.130 119.914 0.036 0.000 2.888 1379 V HA 0.628 4.704 4.120 -0.073 0.000 0.309 1379 V C -0.788 175.284 176.094 -0.037 0.000 1.114 1379 V CA -0.953 61.292 62.300 -0.091 0.000 0.940 1379 V CB 1.928 33.479 31.823 -0.453 0.000 1.021 1379 V HN 0.858 nan 8.190 nan 0.000 0.426 1380 E N 1.945 122.144 120.200 -0.002 0.000 2.345 1380 E HA 0.657 4.963 4.350 -0.073 0.000 0.259 1380 E C -0.978 175.600 176.600 -0.037 0.000 1.117 1380 E CA -0.622 55.781 56.400 0.004 0.000 0.913 1380 E CB 1.904 31.616 29.700 0.020 0.000 1.057 1380 E HN 0.760 nan 8.360 nan 0.000 0.432 1381 V N 1.498 121.382 119.914 -0.050 0.000 2.769 1381 V HA 0.355 4.431 4.120 -0.073 0.000 0.312 1381 V C 0.315 176.377 176.094 -0.054 0.000 1.058 1381 V CA -0.400 61.836 62.300 -0.108 0.000 0.952 1381 V CB 1.698 33.453 31.823 -0.114 0.000 1.019 1381 V HN 0.982 nan 8.190 nan 0.000 0.445 1382 T N -0.903 113.608 114.554 -0.072 0.000 3.467 1382 T HA 0.121 4.427 4.350 -0.073 0.000 0.258 1382 T C 0.042 174.715 174.700 -0.046 0.000 0.999 1382 T CA -0.020 62.052 62.100 -0.047 0.000 1.148 1382 T CB 0.159 68.998 68.868 -0.048 0.000 1.186 1382 T HN 0.657 nan 8.240 nan 0.000 0.401 1383 D N 3.817 124.177 120.400 -0.066 0.000 2.380 1383 D HA 0.343 4.939 4.640 -0.073 0.000 0.230 1383 D C -2.620 173.667 176.300 -0.022 0.000 1.154 1383 D CA -1.702 52.272 54.000 -0.043 0.000 0.859 1383 D CB 1.545 42.312 40.800 -0.055 0.000 1.045 1383 D HN 0.091 nan 8.370 nan 0.000 0.495 1384 P HA 0.380 nan 4.420 nan 0.000 0.279 1384 P C 0.286 177.642 177.300 0.093 0.000 1.282 1384 P CA -0.177 62.966 63.100 0.071 0.000 0.788 1384 P CB 1.281 33.024 31.700 0.073 0.000 1.139 1385 G N -1.431 107.448 108.800 0.131 0.000 4.120 1385 G HA2 -0.063 3.853 3.960 -0.073 0.000 0.209 1385 G HA3 -0.063 3.853 3.960 -0.073 0.000 0.209 1385 G C 0.688 175.657 174.900 0.115 0.000 1.430 1385 G CA 0.346 45.516 45.100 0.116 0.000 0.975 1385 G HN 0.532 nan 8.290 nan 0.000 0.525 1386 D N 0.599 121.089 120.400 0.149 0.000 2.805 1386 D HA 0.238 4.834 4.640 -0.073 0.000 0.271 1386 D C 0.524 176.894 176.300 0.117 0.000 1.166 1386 D CA 0.803 54.871 54.000 0.113 0.000 1.004 1386 D CB 0.737 41.593 40.800 0.094 0.000 1.136 1386 D HN 0.177 nan 8.370 nan 0.000 0.444 1387 S N 0.096 115.895 115.700 0.165 0.000 2.578 1387 S HA 0.546 4.972 4.470 -0.073 0.000 0.301 1387 S C -0.452 174.245 174.600 0.163 0.000 1.091 1387 S CA -0.672 57.619 58.200 0.152 0.000 1.032 1387 S CB 2.201 65.494 63.200 0.156 0.000 1.064 1387 S HN 0.087 nan 8.310 nan 0.000 0.508 1388 R N 1.734 122.306 120.500 0.121 0.000 2.697 1388 R HA 0.075 4.371 4.340 -0.073 0.000 0.265 1388 R C 1.537 177.898 176.300 0.100 0.000 1.009 1388 R CA -0.097 56.062 56.100 0.099 0.000 1.099 1388 R CB -0.629 29.717 30.300 0.078 0.000 0.965 1388 R HN 0.683 nan 8.270 nan 0.000 0.428 1389 L N 0.837 122.101 121.223 0.068 0.000 1.958 1389 L HA -0.196 4.100 4.340 -0.073 0.000 0.238 1389 L C 0.736 177.631 176.870 0.041 0.000 1.092 1389 L CA 1.249 56.113 54.840 0.041 0.000 0.826 1389 L CB -0.846 41.226 42.059 0.021 0.000 0.909 1389 L HN 0.428 nan 8.230 nan 0.000 0.436 1390 L N 1.386 122.630 121.223 0.034 0.000 2.843 1390 L HA -0.043 4.253 4.340 -0.073 0.000 0.296 1390 L C 1.314 178.216 176.870 0.052 0.000 1.228 1390 L CA 0.439 55.298 54.840 0.033 0.000 1.188 1390 L CB -0.681 41.393 42.059 0.025 0.000 1.475 1390 L HN 0.510 nan 8.230 nan 0.000 0.433 1391 E N 1.274 121.515 120.200 0.069 0.000 2.713 1391 E HA 0.177 4.483 4.350 -0.073 0.000 0.201 1391 E C 0.745 177.409 176.600 0.106 0.000 0.935 1391 E CA 0.287 56.747 56.400 0.101 0.000 1.273 1391 E CB 0.729 30.525 29.700 0.159 0.000 1.221 1391 E HN 0.619 nan 8.360 nan 0.000 0.547 1392 G N 2.959 111.825 108.800 0.110 0.000 3.414 1392 G HA2 -0.206 3.710 3.960 -0.073 0.000 0.504 1392 G HA3 -0.206 3.710 3.960 -0.073 0.000 0.504 1392 G C -0.437 174.595 174.900 0.220 0.000 0.936 1392 G CA 0.193 45.366 45.100 0.122 0.000 0.748 1392 G HN 0.031 nan 8.290 nan 0.000 0.408 1393 Q N -0.041 119.941 119.800 0.303 0.000 2.683 1393 Q HA 0.617 4.913 4.340 -0.073 0.000 0.302 1393 Q C 0.594 176.772 176.000 0.297 0.000 1.042 1393 Q CA -1.041 54.992 55.803 0.382 0.000 0.773 1393 Q CB 2.387 31.430 28.738 0.508 0.000 1.508 1393 Q HN 0.660 nan 8.270 nan 0.000 0.459 1394 V N 2.508 122.507 119.914 0.142 0.000 2.843 1394 V HA -0.163 3.912 4.120 -0.073 0.000 0.305 1394 V C 1.811 177.881 176.094 -0.039 0.000 1.120 1394 V CA 0.535 62.765 62.300 -0.117 0.000 1.254 1394 V CB -0.101 31.656 31.823 -0.111 0.000 0.901 1394 V HN 0.707 nan 8.190 nan 0.000 0.503 1395 L N 3.508 124.613 121.223 -0.197 0.000 1.970 1395 L HA -0.122 4.174 4.340 -0.073 0.000 0.212 1395 L C 2.232 178.980 176.870 -0.204 0.000 1.071 1395 L CA 2.167 56.838 54.840 -0.282 0.000 0.751 1395 L CB -0.706 41.166 42.059 -0.312 0.000 0.889 1395 L HN 0.900 nan 8.230 nan 0.000 0.432 1396 E N -0.097 119.993 120.200 -0.185 0.000 2.338 1396 E HA -0.184 4.122 4.350 -0.073 0.000 0.197 1396 E C 1.433 177.952 176.600 -0.135 0.000 1.007 1396 E CA 0.302 56.612 56.400 -0.149 0.000 0.849 1396 E CB 0.148 29.722 29.700 -0.210 0.000 0.774 1396 E HN 0.478 nan 8.360 nan 0.000 0.506 1397 K N -0.874 119.423 120.400 -0.172 0.000 2.632 1397 K HA -0.111 4.165 4.320 -0.073 0.000 0.196 1397 K C 0.304 176.570 176.600 -0.556 0.000 1.023 1397 K CA 0.417 56.517 56.287 -0.311 0.000 1.098 1397 K CB 0.068 32.379 32.500 -0.315 0.000 0.862 1397 K HN 0.248 nan 8.250 nan 0.000 0.504 1398 W N -1.218 120.052 121.300 -0.050 0.000 2.520 1398 W HA 0.105 4.721 4.660 -0.074 0.000 0.272 1398 W C 0.989 177.597 176.519 0.149 0.000 0.984 1398 W CA -0.497 56.887 57.345 0.065 0.000 1.314 1398 W CB 0.694 30.199 29.460 0.075 0.000 0.945 1398 W HN -0.021 nan 8.180 nan 0.000 0.596 1399 D N 0.449 120.991 120.400 0.237 0.000 2.347 1399 D HA -0.043 4.553 4.640 -0.073 0.000 0.215 1399 D C 1.958 178.323 176.300 0.109 0.000 0.976 1399 D CA 0.990 55.112 54.000 0.203 0.000 0.884 1399 D CB 0.446 41.309 40.800 0.105 0.000 0.915 1399 D HN 0.058 nan 8.370 nan 0.000 0.526 1400 V N 1.023 120.964 119.914 0.046 0.000 2.403 1400 V HA -0.095 3.981 4.120 -0.073 0.000 0.239 1400 V C 2.327 178.428 176.094 0.011 0.000 1.041 1400 V CA 0.960 63.258 62.300 -0.005 0.000 1.051 1400 V CB -0.187 31.593 31.823 -0.071 0.000 0.704 1400 V HN 0.039 nan 8.190 nan 0.000 0.472 1401 E N 0.968 121.161 120.200 -0.012 0.000 2.007 1401 E HA -0.207 4.099 4.350 -0.073 0.000 0.194 1401 E C 2.318 178.984 176.600 0.111 0.000 0.999 1401 E CA 1.409 57.813 56.400 0.006 0.000 0.811 1401 E CB -0.438 29.204 29.700 -0.097 0.000 0.762 1401 E HN 0.493 nan 8.360 nan 0.000 0.450 1402 A N 1.371 124.329 122.820 0.228 0.000 2.042 1402 A HA -0.195 4.080 4.320 -0.073 0.000 0.222 1402 A C 2.160 179.821 177.584 0.128 0.000 1.167 1402 A CA 1.154 53.320 52.037 0.216 0.000 0.649 1402 A CB -0.656 18.518 19.000 0.291 0.000 0.809 1402 A HN 0.207 nan 8.150 nan 0.000 0.457 1403 L N -1.457 119.831 121.223 0.109 0.000 2.313 1403 L HA -0.050 4.246 4.340 -0.073 0.000 0.214 1403 L C 1.188 178.086 176.870 0.047 0.000 1.119 1403 L CA 0.971 55.853 54.840 0.069 0.000 0.809 1403 L CB -0.091 42.002 42.059 0.057 0.000 0.933 1403 L HN 0.359 nan 8.230 nan 0.000 0.449 1404 N N -0.923 117.804 118.700 0.044 0.000 2.214 1404 N HA 0.024 4.720 4.740 -0.073 0.000 0.214 1404 N C 0.484 176.015 175.510 0.036 0.000 1.132 1404 N CA 0.140 53.208 53.050 0.031 0.000 0.856 1404 N CB 0.570 39.067 38.487 0.017 0.000 1.020 1404 N HN 0.235 nan 8.380 nan 0.000 0.509 1405 E N -1.017 119.213 120.200 0.050 0.000 2.601 1405 E HA 0.217 4.523 4.350 -0.073 0.000 0.219 1405 E C 1.339 177.965 176.600 0.043 0.000 0.964 1405 E CA 0.019 56.449 56.400 0.051 0.000 1.050 1405 E CB 0.921 30.665 29.700 0.073 0.000 1.068 1405 E HN 0.115 nan 8.360 nan 0.000 0.496 1406 R N -0.008 120.516 120.500 0.040 0.000 2.412 1406 R HA 0.139 4.435 4.340 -0.073 0.000 0.212 1406 R C 1.022 177.336 176.300 0.023 0.000 0.878 1406 R CA 0.288 56.405 56.100 0.029 0.000 1.022 1406 R CB 0.497 30.814 30.300 0.028 0.000 1.265 1406 R HN 0.007 nan 8.270 nan 0.000 0.620 1407 L N 0.053 121.291 121.223 0.025 0.000 2.453 1407 L HA 0.260 4.556 4.340 -0.073 0.000 0.190 1407 L C 2.003 178.884 176.870 0.018 0.000 1.093 1407 L CA 0.846 55.698 54.840 0.020 0.000 0.834 1407 L CB -0.295 41.776 42.059 0.021 0.000 1.090 1407 L HN 0.025 nan 8.230 nan 0.000 0.489 1408 I N -0.283 120.298 120.570 0.019 0.000 2.233 1408 I HA -0.053 4.073 4.170 -0.073 0.000 0.243 1408 I C 0.936 177.063 176.117 0.016 0.000 1.093 1408 I CA 0.786 62.095 61.300 0.016 0.000 1.380 1408 I CB -0.223 37.786 38.000 0.015 0.000 1.067 1408 I HN 0.148 nan 8.210 nan 0.000 0.413 1409 A N 2.207 125.038 122.820 0.019 0.000 2.328 1409 A HA 0.314 4.590 4.320 -0.073 0.000 0.318 1409 A C 0.499 178.096 177.584 0.020 0.000 1.347 1409 A CA -0.759 51.289 52.037 0.018 0.000 0.842 1409 A CB 0.150 19.162 19.000 0.020 0.000 1.148 1409 A HN 0.288 nan 8.150 nan 0.000 0.499 1410 E N 2.169 122.380 120.200 0.017 0.000 3.787 1410 E HA 0.170 4.476 4.350 -0.073 0.000 0.418 1410 E C 0.796 177.407 176.600 0.019 0.000 1.529 1410 E CA 0.347 56.757 56.400 0.017 0.000 2.366 1410 E CB -0.266 29.442 29.700 0.013 0.000 1.118 1410 E HN 1.865 nan 8.360 nan 0.000 0.671 1411 G N 1.062 109.871 108.800 0.016 0.000 2.298 1411 G HA2 -0.348 3.568 3.960 -0.073 0.000 0.287 1411 G HA3 -0.348 3.568 3.960 -0.073 0.000 0.287 1411 G C 0.079 174.991 174.900 0.021 0.000 1.075 1411 G CA 0.708 45.818 45.100 0.017 0.000 0.960 1411 G HN 0.767 nan 8.290 nan 0.000 0.502 1412 K N -0.419 119.992 120.400 0.018 0.000 2.513 1412 K HA 0.180 4.456 4.320 -0.073 0.000 0.275 1412 K C -0.094 176.521 176.600 0.024 0.000 1.025 1412 K CA 1.103 57.403 56.287 0.021 0.000 1.125 1412 K CB 0.278 32.785 32.500 0.011 0.000 0.843 1412 K HN 0.085 nan 8.250 nan 0.000 0.486 1413 T N 6.103 120.680 114.554 0.039 0.000 3.375 1413 T HA 0.210 4.516 4.350 -0.073 0.000 0.363 1413 T C -2.486 172.241 174.700 0.046 0.000 1.837 1413 T CA -1.459 60.669 62.100 0.047 0.000 1.445 1413 T CB 0.525 69.437 68.868 0.074 0.000 1.089 1413 T HN 0.535 nan 8.240 nan 0.000 0.722 1414 P HA 0.035 nan 4.420 nan 0.000 0.253 1414 P C -0.403 176.880 177.300 -0.028 0.000 1.170 1414 P CA 0.057 63.144 63.100 -0.022 0.000 0.806 1414 P CB 0.054 31.726 31.700 -0.048 0.000 0.775 1415 V N 3.840 123.748 119.914 -0.010 0.000 2.322 1415 V HA 0.363 4.439 4.120 -0.073 0.000 0.258 1415 V C 0.862 176.851 176.094 -0.175 0.000 1.074 1415 V CA -0.850 61.426 62.300 -0.039 0.000 0.909 1415 V CB 0.139 32.009 31.823 0.079 0.000 1.090 1415 V HN 0.535 nan 8.190 nan 0.000 0.486 1416 A N 6.412 129.118 122.820 -0.189 0.000 2.404 1416 A HA 0.576 4.852 4.320 -0.073 0.000 0.273 1416 A C -0.270 177.197 177.584 -0.194 0.000 1.144 1416 A CA -0.370 51.509 52.037 -0.265 0.000 0.806 1416 A CB 0.080 18.969 19.000 -0.186 0.000 1.080 1416 A HN 0.985 nan 8.150 nan 0.000 0.509 1417 W N 2.395 123.567 121.300 -0.214 0.000 3.052 1417 W HA 0.834 5.450 4.660 -0.073 0.000 0.366 1417 W C -0.834 175.598 176.519 -0.144 0.000 1.438 1417 W CA -1.339 55.852 57.345 -0.256 0.000 1.266 1417 W CB 0.936 30.182 29.460 -0.358 0.000 1.720 1417 W HN 0.370 nan 8.180 nan 0.000 0.657 1418 K N 1.053 121.684 120.400 0.385 0.000 2.565 1418 K HA 0.288 4.564 4.320 -0.073 0.000 0.249 1418 K C -2.822 173.882 176.600 0.174 0.000 0.958 1418 K CA -1.661 54.776 56.287 0.250 0.000 0.806 1418 K CB 2.141 34.702 32.500 0.102 0.000 1.194 1418 K HN 0.103 nan 8.250 nan 0.000 0.434 1419 P HA 0.110 nan 4.420 nan 0.000 0.271 1419 P C -0.888 176.461 177.300 0.082 0.000 1.226 1419 P CA -0.405 62.752 63.100 0.095 0.000 0.765 1419 P CB 0.460 32.234 31.700 0.122 0.000 0.835 1420 L N 5.247 126.514 121.223 0.074 0.000 2.365 1420 L HA 0.580 4.876 4.340 -0.073 0.000 0.273 1420 L C -1.376 175.568 176.870 0.122 0.000 1.000 1420 L CA -0.889 54.003 54.840 0.087 0.000 0.819 1420 L CB 1.742 43.841 42.059 0.066 0.000 1.284 1420 L HN 0.143 nan 8.230 nan 0.000 0.418 1421 L N 6.264 127.583 121.223 0.159 0.000 2.295 1421 L HA 0.762 5.058 4.340 -0.073 0.000 0.285 1421 L C -0.629 176.386 176.870 0.242 0.000 1.035 1421 L CA -0.141 54.818 54.840 0.199 0.000 0.806 1421 L CB 1.146 43.337 42.059 0.221 0.000 1.214 1421 L HN 0.788 nan 8.230 nan 0.000 0.426 1422 M N 3.262 122.971 119.600 0.181 0.000 2.484 1422 M HA 0.644 5.080 4.480 -0.073 0.000 0.289 1422 M C 0.116 176.491 176.300 0.125 0.000 1.206 1422 M CA -0.734 54.653 55.300 0.144 0.000 0.892 1422 M CB 1.389 34.003 32.600 0.023 0.000 1.712 1422 M HN 0.606 nan 8.290 nan 0.000 0.462 1423 G N 1.331 110.203 108.800 0.120 0.000 2.562 1423 G HA2 0.304 4.220 3.960 -0.073 0.000 0.233 1423 G HA3 0.304 4.220 3.960 -0.073 0.000 0.233 1423 G C 0.730 175.694 174.900 0.107 0.000 1.266 1423 G CA -0.562 44.605 45.100 0.111 0.000 0.852 1423 G HN 0.675 nan 8.290 nan 0.000 0.581 1424 V N 1.792 121.790 119.914 0.141 0.000 2.250 1424 V HA -0.248 3.828 4.120 -0.073 0.000 0.250 1424 V C 3.150 179.306 176.094 0.105 0.000 1.060 1424 V CA 2.746 65.126 62.300 0.135 0.000 1.030 1424 V CB -0.946 30.961 31.823 0.139 0.000 0.643 1424 V HN 0.910 nan 8.190 nan 0.000 0.445 1425 T N -0.629 113.986 114.554 0.101 0.000 2.529 1425 T HA -0.324 3.982 4.350 -0.073 0.000 0.261 1425 T C 1.944 176.646 174.700 0.003 0.000 1.110 1425 T CA 2.250 64.401 62.100 0.085 0.000 1.192 1425 T CB -0.351 68.572 68.868 0.090 0.000 0.864 1425 T HN 0.500 nan 8.240 nan 0.000 0.407 1426 K N 0.545 120.932 120.400 -0.021 0.000 2.228 1426 K HA -0.144 4.132 4.320 -0.073 0.000 0.205 1426 K C 2.498 179.007 176.600 -0.152 0.000 1.045 1426 K CA 1.655 57.888 56.287 -0.091 0.000 0.931 1426 K CB -0.346 32.112 32.500 -0.070 0.000 0.727 1426 K HN 0.247 nan 8.250 nan 0.000 0.458 1427 S N -0.784 114.867 115.700 -0.081 0.000 2.423 1427 S HA -0.051 4.375 4.470 -0.073 0.000 0.231 1427 S C 1.739 176.347 174.600 0.014 0.000 1.014 1427 S CA 1.044 59.200 58.200 -0.074 0.000 0.965 1427 S CB -0.127 63.138 63.200 0.108 0.000 0.785 1427 S HN 0.500 nan 8.310 nan 0.000 0.495 1428 A N 0.571 123.404 122.820 0.022 0.000 1.956 1428 A HA 0.401 4.677 4.320 -0.073 0.000 0.212 1428 A C 1.439 178.952 177.584 -0.118 0.000 1.188 1428 A CA 0.115 52.191 52.037 0.065 0.000 0.675 1428 A CB -0.432 18.689 19.000 0.201 0.000 0.845 1428 A HN 0.516 nan 8.150 nan 0.000 0.455 1429 L N 1.889 122.934 121.223 -0.296 0.000 2.650 1429 L HA 0.115 4.411 4.340 -0.073 0.000 0.239 1429 L C 0.497 177.208 176.870 -0.265 0.000 1.412 1429 L CA 0.677 55.248 54.840 -0.448 0.000 1.219 1429 L CB -0.212 41.575 42.059 -0.454 0.000 1.534 1429 L HN 0.527 nan 8.230 nan 0.000 0.430 1430 S N -3.042 112.556 115.700 -0.170 0.000 3.172 1430 S HA -0.043 4.383 4.470 -0.073 0.000 0.150 1430 S C 0.400 175.030 174.600 0.051 0.000 0.815 1430 S CA -0.060 58.074 58.200 -0.110 0.000 1.474 1430 S CB -0.686 62.367 63.200 -0.245 0.000 1.136 1430 S HN 0.462 nan 8.310 nan 0.000 0.638 1431 T N 1.670 116.274 114.554 0.084 0.000 2.795 1431 T HA 0.390 4.696 4.350 -0.073 0.000 0.314 1431 T C 1.271 176.029 174.700 0.098 0.000 1.069 1431 T CA 0.353 62.539 62.100 0.142 0.000 1.071 1431 T CB 0.765 69.691 68.868 0.096 0.000 0.988 1431 T HN 0.329 nan 8.240 nan 0.000 0.543 1432 K N 1.487 121.933 120.400 0.077 0.000 2.009 1432 K HA -0.058 4.218 4.320 -0.073 0.000 0.210 1432 K C 1.282 177.919 176.600 0.062 0.000 1.049 1432 K CA 1.403 57.728 56.287 0.064 0.000 0.929 1432 K CB -1.206 31.317 32.500 0.040 0.000 0.714 1432 K HN 0.724 nan 8.250 nan 0.000 0.440 1433 S N 0.909 116.614 115.700 0.009 0.000 2.481 1433 S HA 0.143 4.569 4.470 -0.073 0.000 0.276 1433 S C 0.726 175.329 174.600 0.004 0.000 1.247 1433 S CA -0.587 57.594 58.200 -0.031 0.000 1.053 1433 S CB 0.171 63.290 63.200 -0.134 0.000 0.925 1433 S HN 0.569 nan 8.310 nan 0.000 0.491 1434 W N 4.638 125.951 121.300 0.022 0.000 2.465 1434 W HA 0.037 4.653 4.660 -0.073 0.000 0.268 1434 W C 0.947 177.490 176.519 0.039 0.000 1.242 1434 W CA 0.229 57.586 57.345 0.021 0.000 1.248 1434 W CB -0.563 28.909 29.460 0.020 0.000 1.118 1434 W HN 0.560 nan 8.180 nan 0.000 0.587 1435 L N 1.231 121.959 121.223 -0.825 0.000 2.027 1435 L HA -0.165 4.131 4.340 -0.073 0.000 0.206 1435 L C 3.025 179.782 176.870 -0.188 0.000 1.074 1435 L CA 2.494 56.960 54.840 -0.623 0.000 0.745 1435 L CB -1.502 40.132 42.059 -0.708 0.000 0.898 1435 L HN 0.244 nan 8.230 nan 0.000 0.433 1436 S N -1.199 114.439 115.700 -0.104 0.000 2.402 1436 S HA -0.081 4.345 4.470 -0.073 0.000 0.229 1436 S C 1.887 176.638 174.600 0.251 0.000 1.021 1436 S CA 0.933 59.167 58.200 0.056 0.000 0.974 1436 S CB -0.177 63.120 63.200 0.162 0.000 0.800 1436 S HN 0.445 nan 8.310 nan 0.000 0.484 1437 A N -0.218 122.726 122.820 0.206 0.000 2.238 1437 A HA 0.637 4.913 4.320 -0.073 0.000 0.208 1437 A C 1.824 179.595 177.584 0.312 0.000 1.177 1437 A CA 0.841 53.025 52.037 0.244 0.000 0.804 1437 A CB -0.437 18.609 19.000 0.077 0.000 0.823 1437 A HN 0.612 nan 8.150 nan 0.000 0.482 1438 A N -0.990 121.980 122.820 0.250 0.000 2.252 1438 A HA 0.266 4.542 4.320 -0.073 0.000 0.213 1438 A C 1.593 179.161 177.584 -0.027 0.000 1.188 1438 A CA 0.712 52.841 52.037 0.154 0.000 0.863 1438 A CB -0.180 18.925 19.000 0.175 0.000 0.893 1438 A HN 0.268 nan 8.150 nan 0.000 0.495 1439 S N 0.574 116.245 115.700 -0.048 0.000 2.881 1439 S HA 0.250 4.676 4.470 -0.073 0.000 0.228 1439 S C -0.174 174.048 174.600 -0.630 0.000 0.965 1439 S CA 0.316 58.303 58.200 -0.355 0.000 0.998 1439 S CB -0.713 62.327 63.200 -0.266 0.000 0.795 1439 S HN 0.442 nan 8.310 nan 0.000 0.518 1440 F N 0.186 119.967 119.950 -0.282 0.000 2.732 1440 F HA 0.572 5.055 4.527 -0.073 0.000 0.394 1440 F C 0.802 176.455 175.800 -0.245 0.000 1.194 1440 F CA -1.223 56.684 58.000 -0.154 0.000 1.127 1440 F CB 0.514 39.483 39.000 -0.051 0.000 1.470 1440 F HN -0.273 nan 8.300 nan 0.000 0.505 1441 Q N 1.102 120.985 119.800 0.139 0.000 2.354 1441 Q HA 0.315 4.611 4.340 -0.073 0.000 0.372 1441 Q C -0.690 175.333 176.000 0.039 0.000 0.923 1441 Q CA -0.113 55.719 55.803 0.049 0.000 1.123 1441 Q CB -0.486 28.313 28.738 0.102 0.000 1.298 1441 Q HN 0.600 nan 8.270 nan 0.000 0.419 1442 N N -2.450 116.263 118.700 0.021 0.000 2.142 1442 N HA -0.052 4.644 4.740 -0.073 0.000 0.233 1442 N C 0.764 176.247 175.510 -0.045 0.000 1.335 1442 N CA 0.688 53.731 53.050 -0.011 0.000 0.837 1442 N CB -0.038 38.447 38.487 -0.004 0.000 1.238 1442 N HN 0.183 nan 8.380 nan 0.000 0.501 1443 T N -2.025 112.501 114.554 -0.047 0.000 2.932 1443 T HA -0.207 4.099 4.350 -0.073 0.000 0.269 1443 T C 1.497 176.119 174.700 -0.130 0.000 1.131 1443 T CA 1.965 64.038 62.100 -0.045 0.000 1.107 1443 T CB -0.700 68.143 68.868 -0.043 0.000 0.824 1443 T HN 0.116 nan 8.240 nan 0.000 0.552 1444 T N 0.500 114.891 114.554 -0.272 0.000 2.735 1444 T HA -0.011 4.295 4.350 -0.073 0.000 0.256 1444 T C 1.596 176.081 174.700 -0.357 0.000 1.042 1444 T CA 1.232 62.945 62.100 -0.646 0.000 1.147 1444 T CB -0.529 67.882 68.868 -0.761 0.000 0.865 1444 T HN 0.738 nan 8.240 nan 0.000 0.421 1445 H N 0.601 119.509 119.070 -0.269 0.000 2.321 1445 H HA -0.085 4.427 4.556 -0.073 0.000 0.300 1445 H C 2.236 177.520 175.328 -0.074 0.000 1.087 1445 H CA 1.286 57.247 56.048 -0.144 0.000 1.319 1445 H CB -0.127 29.572 29.762 -0.106 0.000 1.379 1445 H HN 0.057 nan 8.280 nan 0.000 0.501 1446 V N 1.024 120.880 119.914 -0.098 0.000 2.277 1446 V HA -0.314 3.762 4.120 -0.073 0.000 0.253 1446 V C 2.626 178.714 176.094 -0.011 0.000 1.067 1446 V CA 1.631 63.872 62.300 -0.100 0.000 1.047 1446 V CB -0.604 31.224 31.823 0.009 0.000 0.649 1446 V HN 0.341 nan 8.190 nan 0.000 0.447 1447 L N -0.312 120.928 121.223 0.028 0.000 2.044 1447 L HA -0.084 4.212 4.340 -0.073 0.000 0.205 1447 L C 2.622 179.578 176.870 0.143 0.000 1.075 1447 L CA 2.233 57.113 54.840 0.067 0.000 0.747 1447 L CB -1.660 40.551 42.059 0.255 0.000 0.903 1447 L HN 0.331 nan 8.230 nan 0.000 0.435 1448 T N -0.969 113.728 114.554 0.238 0.000 2.822 1448 T HA -0.238 4.068 4.350 -0.073 0.000 0.270 1448 T C 1.797 176.597 174.700 0.167 0.000 1.064 1448 T CA 1.626 63.957 62.100 0.386 0.000 1.131 1448 T CB 0.015 69.117 68.868 0.390 0.000 0.858 1448 T HN 0.245 nan 8.240 nan 0.000 0.483 1449 E N 0.780 121.026 120.200 0.077 0.000 2.075 1449 E HA 0.226 4.532 4.350 -0.073 0.000 0.190 1449 E C 2.310 178.870 176.600 -0.066 0.000 0.969 1449 E CA 0.854 57.250 56.400 -0.007 0.000 0.815 1449 E CB -0.498 29.189 29.700 -0.021 0.000 0.776 1449 E HN 0.339 nan 8.360 nan 0.000 0.457 1450 A N 1.298 124.068 122.820 -0.083 0.000 1.917 1450 A HA -0.163 4.113 4.320 -0.073 0.000 0.219 1450 A C 2.231 179.692 177.584 -0.205 0.000 1.182 1450 A CA 2.159 54.095 52.037 -0.167 0.000 0.633 1450 A CB -1.153 17.601 19.000 -0.410 0.000 0.819 1450 A HN 0.388 nan 8.150 nan 0.000 0.448 1451 A N -0.198 122.529 122.820 -0.154 0.000 1.994 1451 A HA 0.056 4.332 4.320 -0.073 0.000 0.202 1451 A C 1.732 179.233 177.584 -0.138 0.000 1.286 1451 A CA 1.438 53.424 52.037 -0.086 0.000 0.653 1451 A CB -1.089 17.968 19.000 0.095 0.000 0.926 1451 A HN 0.484 nan 8.150 nan 0.000 0.494 1452 I N -0.089 120.353 120.570 -0.214 0.000 2.500 1452 I HA -0.446 3.680 4.170 -0.073 0.000 0.236 1452 I C 2.752 178.570 176.117 -0.499 0.000 0.933 1452 I CA 2.382 63.356 61.300 -0.542 0.000 1.250 1452 I CB -0.895 36.702 38.000 -0.671 0.000 0.957 1452 I HN 0.470 nan 8.210 nan 0.000 0.405 1453 A N -0.719 121.926 122.820 -0.292 0.000 1.969 1453 A HA 0.219 4.495 4.320 -0.073 0.000 0.218 1453 A C 1.971 179.493 177.584 -0.104 0.000 1.169 1453 A CA 1.434 53.365 52.037 -0.178 0.000 0.635 1453 A CB -1.056 17.889 19.000 -0.092 0.000 0.810 1453 A HN 1.194 nan 8.150 nan 0.000 0.445 1454 G N -0.887 107.860 108.800 -0.089 0.000 2.212 1454 G HA2 -0.226 3.690 3.960 -0.073 0.000 0.255 1454 G HA3 -0.226 3.690 3.960 -0.073 0.000 0.255 1454 G C 0.019 174.926 174.900 0.013 0.000 1.062 1454 G CA 0.317 45.399 45.100 -0.029 0.000 0.815 1454 G HN 0.415 nan 8.290 nan 0.000 0.497 1455 K N 0.433 120.842 120.400 0.016 0.000 2.412 1455 K HA 0.207 4.483 4.320 -0.073 0.000 0.281 1455 K C 0.655 177.397 176.600 0.237 0.000 1.027 1455 K CA 0.208 56.565 56.287 0.117 0.000 0.989 1455 K CB 0.460 33.056 32.500 0.159 0.000 0.935 1455 K HN 0.452 nan 8.250 nan 0.000 0.475 1456 K N 2.549 123.080 120.400 0.219 0.000 2.263 1456 K HA 0.074 4.350 4.320 -0.073 0.000 0.272 1456 K C -0.214 176.514 176.600 0.214 0.000 1.033 1456 K CA -0.515 55.917 56.287 0.242 0.000 0.884 1456 K CB 1.092 33.673 32.500 0.135 0.000 1.107 1456 K HN 0.375 nan 8.250 nan 0.000 0.460 1457 D N 4.558 125.081 120.400 0.205 0.000 2.545 1457 D HA -0.049 4.547 4.640 -0.073 0.000 0.227 1457 D C -0.427 175.827 176.300 -0.078 0.000 1.150 1457 D CA 0.100 54.060 54.000 -0.067 0.000 1.046 1457 D CB 0.319 40.774 40.800 -0.575 0.000 1.098 1457 D HN 0.382 nan 8.370 nan 0.000 0.502 1458 E N 2.456 122.648 120.200 -0.012 0.000 2.752 1458 E HA -0.065 4.241 4.350 -0.073 0.000 0.241 1458 E C 0.267 176.832 176.600 -0.058 0.000 1.016 1458 E CA 0.298 56.691 56.400 -0.013 0.000 0.952 1458 E CB 0.738 30.447 29.700 0.014 0.000 0.921 1458 E HN 0.504 nan 8.360 nan 0.000 0.515 1459 L N 5.603 126.788 121.223 -0.063 0.000 2.515 1459 L HA 0.069 4.365 4.340 -0.073 0.000 0.281 1459 L C 1.393 178.229 176.870 -0.056 0.000 1.131 1459 L CA 0.049 54.840 54.840 -0.082 0.000 0.905 1459 L CB -0.130 41.885 42.059 -0.074 0.000 1.246 1459 L HN 0.522 nan 8.230 nan 0.000 0.463 1460 I N 1.302 121.821 120.570 -0.085 0.000 3.196 1460 I HA 0.145 4.271 4.170 -0.073 0.000 0.248 1460 I C 1.876 177.949 176.117 -0.073 0.000 1.105 1460 I CA 0.368 61.613 61.300 -0.092 0.000 1.482 1460 I CB -0.136 37.731 38.000 -0.222 0.000 1.400 1460 I HN 0.661 nan 8.210 nan 0.000 0.464 1461 G N 0.683 109.437 108.800 -0.076 0.000 2.527 1461 G HA2 0.162 4.078 3.960 -0.073 0.000 0.279 1461 G HA3 0.162 4.078 3.960 -0.073 0.000 0.279 1461 G C 0.686 175.661 174.900 0.124 0.000 1.374 1461 G CA -0.146 44.992 45.100 0.064 0.000 1.053 1461 G HN 0.173 nan 8.290 nan 0.000 0.539 1462 L N -1.114 120.258 121.223 0.249 0.000 2.356 1462 L HA 0.205 4.501 4.340 -0.073 0.000 0.193 1462 L C 2.694 179.511 176.870 -0.087 0.000 1.087 1462 L CA 0.532 55.398 54.840 0.043 0.000 0.817 1462 L CB -0.607 41.475 42.059 0.039 0.000 1.035 1462 L HN 0.649 nan 8.230 nan 0.000 0.482 1463 K N 1.564 121.790 120.400 -0.291 0.000 2.013 1463 K HA -0.306 3.970 4.320 -0.073 0.000 0.225 1463 K C 1.928 178.393 176.600 -0.224 0.000 1.056 1463 K CA 2.834 58.895 56.287 -0.376 0.000 0.971 1463 K CB -0.335 31.711 32.500 -0.758 0.000 0.731 1463 K HN 0.482 nan 8.250 nan 0.000 0.450 1464 E N -0.044 120.032 120.200 -0.207 0.000 2.169 1464 E HA -0.280 4.026 4.350 -0.073 0.000 0.202 1464 E C 1.731 178.246 176.600 -0.143 0.000 1.016 1464 E CA 1.612 57.913 56.400 -0.166 0.000 0.817 1464 E CB -0.635 28.982 29.700 -0.138 0.000 0.736 1464 E HN 0.423 nan 8.360 nan 0.000 0.462 1465 N N 0.582 119.220 118.700 -0.102 0.000 2.461 1465 N HA -0.039 4.657 4.740 -0.073 0.000 0.188 1465 N C 1.331 176.801 175.510 -0.067 0.000 1.134 1465 N CA 0.279 53.283 53.050 -0.076 0.000 0.878 1465 N CB 0.593 39.052 38.487 -0.047 0.000 0.972 1465 N HN 0.120 nan 8.380 nan 0.000 0.456 1466 V N 0.603 120.468 119.914 -0.081 0.000 2.795 1466 V HA 0.013 4.089 4.120 -0.073 0.000 0.243 1466 V C 2.187 178.247 176.094 -0.057 0.000 1.069 1466 V CA 0.356 62.616 62.300 -0.066 0.000 1.089 1466 V CB 0.016 31.792 31.823 -0.078 0.000 0.756 1466 V HN 0.138 nan 8.190 nan 0.000 0.471 1467 I N -0.015 120.515 120.570 -0.066 0.000 2.145 1467 I HA -0.348 3.778 4.170 -0.073 0.000 0.244 1467 I C 2.401 178.496 176.117 -0.037 0.000 1.075 1467 I CA 1.877 63.149 61.300 -0.046 0.000 1.332 1467 I CB -0.452 37.513 38.000 -0.058 0.000 1.033 1467 I HN 0.251 nan 8.210 nan 0.000 0.410 1468 L N 0.074 121.268 121.223 -0.049 0.000 2.046 1468 L HA -0.157 4.139 4.340 -0.073 0.000 0.208 1468 L C 1.782 178.635 176.870 -0.029 0.000 1.077 1468 L CA 1.658 56.475 54.840 -0.039 0.000 0.747 1468 L CB -0.421 41.610 42.059 -0.046 0.000 0.896 1468 L HN 0.649 nan 8.230 nan 0.000 0.432 1469 G N -1.319 107.463 108.800 -0.030 0.000 2.192 1469 G HA2 -0.194 3.722 3.960 -0.073 0.000 0.193 1469 G HA3 -0.194 3.722 3.960 -0.073 0.000 0.193 1469 G C 0.428 175.315 174.900 -0.021 0.000 0.999 1469 G CA -0.216 44.871 45.100 -0.022 0.000 0.659 1469 G HN 0.196 nan 8.290 nan 0.000 0.503 1470 R N -0.942 119.542 120.500 -0.026 0.000 3.151 1470 R HA 0.425 4.721 4.340 -0.073 0.000 0.283 1470 R C 0.041 176.330 176.300 -0.019 0.000 1.140 1470 R CA 0.040 56.127 56.100 -0.022 0.000 1.162 1470 R CB 0.082 30.367 30.300 -0.025 0.000 1.121 1470 R HN 0.198 nan 8.270 nan 0.000 0.552 1471 L N 1.447 122.660 121.223 -0.016 0.000 2.307 1471 L HA 0.263 4.559 4.340 -0.073 0.000 0.284 1471 L C -0.144 176.719 176.870 -0.012 0.000 1.023 1471 L CA -0.261 54.572 54.840 -0.012 0.000 0.810 1471 L CB 1.178 43.228 42.059 -0.015 0.000 1.231 1471 L HN 0.333 nan 8.230 nan 0.000 0.423 1472 I N 6.445 127.009 120.570 -0.010 0.000 2.996 1472 I HA -0.116 4.010 4.170 -0.073 0.000 0.311 1472 I C -1.278 174.835 176.117 -0.006 0.000 1.219 1472 I CA -0.329 60.965 61.300 -0.010 0.000 1.452 1472 I CB 0.224 38.218 38.000 -0.010 0.000 1.319 1472 I HN 0.556 nan 8.210 nan 0.000 0.564 1473 P HA -0.044 nan 4.420 nan 0.000 0.226 1473 P C 0.566 177.869 177.300 0.006 0.000 1.153 1473 P CA 0.965 64.068 63.100 0.004 0.000 0.777 1473 P CB 0.468 32.173 31.700 0.008 0.000 0.794 1474 A N -0.827 121.994 122.820 0.002 0.000 3.711 1474 A HA 0.606 4.882 4.320 -0.073 0.000 0.185 1474 A C 1.754 179.337 177.584 -0.003 0.000 1.697 1474 A CA 0.437 52.474 52.037 -0.000 0.000 1.787 1474 A CB -1.128 17.868 19.000 -0.007 0.000 1.545 1474 A HN 0.204 nan 8.150 nan 0.000 0.553 1475 G N -1.039 107.755 108.800 -0.010 0.000 2.679 1475 G HA2 -0.365 3.551 3.960 -0.073 0.000 0.373 1475 G HA3 -0.365 3.551 3.960 -0.073 0.000 0.373 1475 G C 0.890 175.784 174.900 -0.010 0.000 1.114 1475 G CA 1.862 46.953 45.100 -0.015 0.000 0.898 1475 G HN 1.175 nan 8.290 nan 0.000 0.648 1476 T N 1.221 115.772 114.554 -0.004 0.000 3.145 1476 T HA 0.437 4.742 4.350 -0.073 0.000 0.255 1476 T C 1.711 176.422 174.700 0.018 0.000 1.039 1476 T CA 1.007 63.113 62.100 0.010 0.000 0.928 1476 T CB 0.367 69.250 68.868 0.025 0.000 1.029 1476 T HN 0.879 nan 8.240 nan 0.000 0.554 1477 G N 1.058 109.858 108.800 0.000 0.000 3.141 1477 G HA2 0.112 4.028 3.960 -0.073 0.000 0.218 1477 G HA3 0.112 4.028 3.960 -0.073 0.000 0.218 1477 G C 0.566 175.439 174.900 -0.044 0.000 1.170 1477 G CA -0.223 44.864 45.100 -0.022 0.000 0.769 1477 G HN 0.457 nan 8.290 nan 0.000 0.546 1478 S N 0.710 116.391 115.700 -0.033 0.000 2.430 1478 S HA 0.080 4.506 4.470 -0.073 0.000 0.282 1478 S C 1.231 175.802 174.600 -0.048 0.000 1.186 1478 S CA -0.394 57.808 58.200 0.002 0.000 1.060 1478 S CB 0.325 63.568 63.200 0.071 0.000 0.966 1478 S HN 0.335 nan 8.310 nan 0.000 0.501 1479 D N 3.791 124.188 120.400 -0.004 0.000 2.191 1479 D HA -0.202 4.394 4.640 -0.073 0.000 0.195 1479 D C 1.243 177.605 176.300 0.105 0.000 1.003 1479 D CA 1.317 55.333 54.000 0.027 0.000 0.867 1479 D CB -0.198 40.732 40.800 0.218 0.000 0.926 1479 D HN 0.765 nan 8.370 nan 0.000 0.450 1480 F N 1.089 121.045 119.950 0.012 0.000 2.373 1480 F HA -0.170 4.313 4.527 -0.074 0.000 0.300 1480 F C 1.684 177.488 175.800 0.006 0.000 1.080 1480 F CA 0.874 58.893 58.000 0.032 0.000 1.417 1480 F CB 0.261 39.269 39.000 0.014 0.000 1.070 1480 F HN -0.198 nan 8.300 nan 0.000 0.546 1481 V N -1.919 117.863 119.914 -0.219 0.000 3.359 1481 V HA 0.099 4.175 4.120 -0.073 0.000 0.270 1481 V C 1.955 177.857 176.094 -0.320 0.000 1.583 1481 V CA -0.045 62.072 62.300 -0.306 0.000 1.019 1481 V CB -0.160 31.534 31.823 -0.216 0.000 0.831 1481 V HN -0.018 nan 8.190 nan 0.000 0.426 1482 R N 1.037 121.227 120.500 -0.518 0.000 2.178 1482 R HA -0.183 4.113 4.340 -0.073 0.000 0.257 1482 R C 0.024 175.821 176.300 -0.838 0.000 1.163 1482 R CA 2.047 57.640 56.100 -0.845 0.000 0.981 1482 R CB -0.183 29.209 30.300 -1.512 0.000 0.878 1482 R HN 0.569 nan 8.270 nan 0.000 0.454 1483 F N -0.121 119.806 119.950 -0.038 0.000 2.443 1483 F HA 0.377 4.861 4.527 -0.073 0.000 0.369 1483 F C -0.150 175.616 175.800 -0.057 0.000 1.090 1483 F CA -0.779 57.196 58.000 -0.041 0.000 1.129 1483 F CB 1.332 40.313 39.000 -0.032 0.000 1.367 1483 F HN -0.315 nan 8.300 nan 0.000 0.465 1484 T N 1.133 115.717 114.554 0.050 0.000 2.927 1484 T HA 0.646 4.952 4.350 -0.073 0.000 0.286 1484 T C -0.641 174.076 174.700 0.030 0.000 1.040 1484 T CA -0.908 61.200 62.100 0.013 0.000 1.010 1484 T CB 2.160 71.006 68.868 -0.036 0.000 1.177 1484 T HN 0.450 nan 8.240 nan 0.000 0.546 1485 Q N 0.322 120.132 119.800 0.016 0.000 2.379 1485 Q HA 0.704 5.000 4.340 -0.073 0.000 0.278 1485 Q C -1.580 174.428 176.000 0.012 0.000 1.068 1485 Q CA -0.900 54.914 55.803 0.019 0.000 0.816 1485 Q CB 2.752 31.501 28.738 0.020 0.000 1.387 1485 Q HN 0.386 nan 8.270 nan 0.000 0.413 1486 V N 0.924 120.848 119.914 0.015 0.000 2.864 1486 V HA 0.860 4.936 4.120 -0.073 0.000 0.314 1486 V C -0.470 175.632 176.094 0.012 0.000 1.073 1486 V CA -0.785 61.523 62.300 0.013 0.000 0.956 1486 V CB 1.894 33.727 31.823 0.017 0.000 1.023 1486 V HN 0.668 nan 8.190 nan 0.000 0.435 1487 V N -0.697 119.223 119.914 0.010 0.000 3.177 1487 V HA 0.529 4.605 4.120 -0.073 0.000 0.287 1487 V C -1.538 174.561 176.094 0.008 0.000 1.465 1487 V CA -1.057 61.248 62.300 0.010 0.000 1.020 1487 V CB 1.930 33.759 31.823 0.009 0.000 1.152 1487 V HN 0.926 nan 8.190 nan 0.000 0.448 1488 D N 1.581 121.987 120.400 0.009 0.000 2.294 1488 D HA 0.265 4.861 4.640 -0.073 0.000 0.250 1488 D C 0.289 176.593 176.300 0.007 0.000 1.058 1488 D CA -0.669 53.336 54.000 0.008 0.000 0.950 1488 D CB 1.923 42.729 40.800 0.009 0.000 1.158 1488 D HN 0.516 nan 8.370 nan 0.000 0.453 1489 Q N 0.372 120.176 119.800 0.007 0.000 2.437 1489 Q HA -0.090 4.206 4.340 -0.073 0.000 0.210 1489 Q C 1.472 177.475 176.000 0.006 0.000 0.972 1489 Q CA 0.947 56.754 55.803 0.006 0.000 0.903 1489 Q CB -0.013 28.728 28.738 0.006 0.000 0.967 1489 Q HN 0.547 nan 8.270 nan 0.000 0.486 1490 K N -0.143 120.261 120.400 0.007 0.000 2.076 1490 K HA -0.054 4.222 4.320 -0.073 0.000 0.204 1490 K C 2.209 178.813 176.600 0.006 0.000 1.051 1490 K CA 1.641 57.931 56.287 0.006 0.000 0.949 1490 K CB -0.057 32.447 32.500 0.007 0.000 0.726 1490 K HN 0.266 nan 8.250 nan 0.000 0.443 1491 T N 0.330 114.888 114.554 0.007 0.000 2.942 1491 T HA -0.004 4.302 4.350 -0.073 0.000 0.265 1491 T C 1.855 176.559 174.700 0.006 0.000 1.062 1491 T CA 0.178 62.282 62.100 0.007 0.000 1.139 1491 T CB -0.167 68.705 68.868 0.007 0.000 0.883 1491 T HN -0.028 nan 8.240 nan 0.000 0.468 1492 L N 0.902 122.129 121.223 0.006 0.000 2.129 1492 L HA -0.075 4.221 4.340 -0.073 0.000 0.212 1492 L C 2.182 179.056 176.870 0.005 0.000 1.087 1492 L CA 1.907 56.750 54.840 0.006 0.000 0.757 1492 L CB -0.743 41.319 42.059 0.006 0.000 0.896 1492 L HN 0.241 nan 8.230 nan 0.000 0.434 1493 K N -0.159 120.245 120.400 0.005 0.000 2.076 1493 K HA 0.043 4.319 4.320 -0.073 0.000 0.204 1493 K C 2.031 178.634 176.600 0.005 0.000 1.051 1493 K CA 1.206 57.496 56.287 0.005 0.000 0.949 1493 K CB -0.640 31.863 32.500 0.005 0.000 0.726 1493 K HN 0.300 nan 8.250 nan 0.000 0.443 1494 A N 1.219 124.042 122.820 0.005 0.000 2.131 1494 A HA -0.143 4.133 4.320 -0.073 0.000 0.220 1494 A C 2.061 179.647 177.584 0.004 0.000 1.158 1494 A CA 1.090 53.130 52.037 0.005 0.000 0.665 1494 A CB -0.436 18.567 19.000 0.005 0.000 0.795 1494 A HN 0.215 nan 8.150 nan 0.000 0.460 1495 I N -0.691 119.881 120.570 0.004 0.000 2.703 1495 I HA -0.019 4.107 4.170 -0.073 0.000 0.259 1495 I C 1.994 178.113 176.117 0.004 0.000 1.151 1495 I CA 1.416 62.718 61.300 0.004 0.000 1.470 1495 I CB -0.063 37.939 38.000 0.004 0.000 1.112 1495 I HN 0.378 nan 8.210 nan 0.000 0.437 1496 E N 0.758 120.961 120.200 0.004 0.000 2.208 1496 E HA -0.179 4.127 4.350 -0.073 0.000 0.193 1496 E C 1.720 178.322 176.600 0.003 0.000 0.988 1496 E CA 1.228 57.630 56.400 0.004 0.000 0.828 1496 E CB -0.252 29.451 29.700 0.004 0.000 0.763 1496 E HN 0.407 nan 8.360 nan 0.000 0.478 1497 E N 0.285 120.487 120.200 0.003 0.000 2.268 1497 E HA -0.035 4.271 4.350 -0.073 0.000 0.195 1497 E C 1.582 178.183 176.600 0.003 0.000 0.995 1497 E CA 1.019 57.421 56.400 0.003 0.000 0.836 1497 E CB -0.376 29.326 29.700 0.004 0.000 0.763 1497 E HN 0.399 nan 8.360 nan 0.000 0.491 1498 A N 0.559 123.381 122.820 0.003 0.000 2.238 1498 A HA 0.076 4.352 4.320 -0.073 0.000 0.208 1498 A C 1.966 179.552 177.584 0.002 0.000 1.177 1498 A CA 0.282 52.320 52.037 0.003 0.000 0.804 1498 A CB -0.042 18.959 19.000 0.002 0.000 0.823 1498 A HN 0.015 nan 8.150 nan 0.000 0.482 1499 R N -1.092 119.410 120.500 0.002 0.000 2.257 1499 R HA 0.165 4.461 4.340 -0.073 0.000 0.195 1499 R C 1.613 177.915 176.300 0.002 0.000 0.921 1499 R CA 0.256 56.358 56.100 0.002 0.000 1.069 1499 R CB 0.072 30.374 30.300 0.003 0.000 1.115 1499 R HN 0.311 nan 8.270 nan 0.000 0.571 1500 K N 0.975 121.376 120.400 0.003 0.000 2.211 1500 K HA -0.117 4.159 4.320 -0.073 0.000 0.203 1500 K C 0.986 177.588 176.600 0.002 0.000 1.050 1500 K CA 1.094 57.383 56.287 0.003 0.000 0.945 1500 K CB 0.133 32.635 32.500 0.003 0.000 0.732 1500 K HN 0.236 nan 8.250 nan 0.000 0.451 1501 E N 0.148 120.349 120.200 0.002 0.000 2.512 1501 E HA -0.031 4.275 4.350 -0.073 0.000 0.195 1501 E C 1.234 177.835 176.600 0.002 0.000 1.083 1501 E CA -0.005 56.396 56.400 0.002 0.000 0.873 1501 E CB 0.233 29.934 29.700 0.002 0.000 0.897 1501 E HN 0.265 nan 8.360 nan 0.000 0.514 1502 A N 0.760 123.582 122.820 0.002 0.000 2.178 1502 A HA 0.031 4.307 4.320 -0.073 0.000 0.211 1502 A C 1.301 178.886 177.584 0.002 0.000 1.157 1502 A CA -0.011 52.027 52.037 0.002 0.000 0.780 1502 A CB 0.286 19.288 19.000 0.002 0.000 0.828 1502 A HN 0.057 nan 8.150 nan 0.000 0.476 1503 V N 3.166 123.081 119.914 0.002 0.000 2.266 1503 V HA -0.012 4.064 4.120 -0.073 0.000 0.240 1503 V C -0.163 175.932 176.094 0.002 0.000 1.225 1503 V CA -0.300 62.001 62.300 0.002 0.000 1.237 1503 V CB -1.013 30.811 31.823 0.002 0.000 1.343 1503 V HN 0.451 nan 8.190 nan 0.000 0.496 1504 E N 4.426 124.627 120.200 0.002 0.000 2.637 1504 E HA 0.169 4.475 4.350 -0.073 0.000 0.231 1504 E C 0.973 177.574 176.600 0.002 0.000 1.226 1504 E CA 0.953 57.354 56.400 0.002 0.000 0.950 1504 E CB -0.757 28.945 29.700 0.002 0.000 1.049 1504 E HN 0.972 nan 8.360 nan 0.000 0.494 1505 A N 0.000 122.821 122.820 0.002 0.000 2.254 1505 A HA 0.000 4.276 4.320 -0.073 0.000 0.244 1505 A CA 0.000 52.038 52.037 0.002 0.000 0.836 1505 A CB 0.000 19.001 19.000 0.002 0.000 0.831 1505 A HN 0.000 nan 8.150 nan 0.000 0.486