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 1waf_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKEFYLTVEQ IGDSIFERYI DSNGRERTRE VEYKPSLFAH CPESQATKYF DATA SEQUENCE DIYGKPCTRK LFANMRDASQ WIKRMEDIGL EALGMDDFKL AYLSDTYNYE DATA SEQUENCE IKYDHTKIRV ANFDIEVTSP DGFPEPSQAK HPIDAITHYD SIDDRFYVFD DATA SEQUENCE LLNSPYGNVE EWSIEIAAKL QEQGGDEVPS EIIDKIIYMP FDNEKELLME DATA SEQUENCE YLNFWQQKTP VILTGWNVES FDIPYVYNRI KNIFGESTAK RLSPHRKTRV DATA SEQUENCE KVIENMYGSR EIITLFGISV LDYIDLYKKF SFTNQPSYSL DYISEFELNV DATA SEQUENCE GKLKYDGPIS KLRESNHQRY ISYNIIDVYR VLQIDAKRQF INLSLDMGYY DATA SEQUENCE AKIQIQSVFS PIKTWDAIIF NSLKEQNKVI PQGRSHPVQP YPGAFVKEPI DATA SEQUENCE PNRYKYVMSF DLTSLYPSII RQVNISPETI AGTFKVAPLH DYINAVAERP DATA SEQUENCE SDVYSCSPNG MMYYKDRDGV VPTEITKVFN QRKEHKGYML AAQRNGEIIK DATA SEQUENCE EALHNPNLSV DEPLDVDYRF DFSDEIKEKI KKLSAKSLNE MLFRAQRTEV DATA SEQUENCE AGMTAQINRK LLINSLYGAL GNVWFRYYDL RNATAITTFG QMALQWIERK DATA SEQUENCE VNEYLNEVCG TEGEAFVLYG DTDSIYVSAD KIIDKVGESK FRDTNHWVDF DATA SEQUENCE LDKFARERME PAIDRGFREM CEYMNNKQHL MFMDREAIAG PPLGSKGIGG DATA SEQUENCE FWTGKKRYAL NVWDMEGTRY AEPKLKIMGL ETQKSSTPKA VQKALKECIR DATA SEQUENCE RMLQEGEESL QEYFKEFEKE FRQLNYISIA SVSSANNIAK YDVGGFPGPK DATA SEQUENCE CPFHIRGILT YNRAIKGNID APQVVEGEKV YVLPLREGNP FGDKCIAWPS DATA SEQUENCE GTEITDLIKD DVLHWMDYTV LLEKTFIKPL EGFTSAAKLD YEKKASLFDM DATA SEQUENCE FDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.296 176.300 -0.007 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.001 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.022 0.000 1.302 2 K N 4.033 124.452 120.400 0.032 0.000 2.310 2 K HA 0.207 4.527 4.320 -0.001 0.000 0.290 2 K C -0.265 176.404 176.600 0.115 0.000 1.077 2 K CA -0.396 55.916 56.287 0.042 0.000 0.922 2 K CB 0.320 32.817 32.500 -0.004 0.000 1.057 2 K HN 0.615 nan 8.250 nan 0.000 0.479 3 E N 3.642 123.871 120.200 0.048 0.000 2.498 3 E HA 0.001 4.351 4.350 -0.001 0.000 0.252 3 E C -0.529 176.211 176.600 0.234 0.000 1.025 3 E CA -0.111 56.307 56.400 0.030 0.000 0.938 3 E CB -0.233 29.520 29.700 0.088 0.000 0.947 3 E HN 0.389 nan 8.360 nan 0.000 0.478 4 F N 1.281 121.522 119.950 0.485 0.000 2.557 4 F HA 0.535 5.061 4.527 -0.001 0.000 0.336 4 F C -0.135 176.171 175.800 0.845 0.000 1.058 4 F CA -1.989 56.519 58.000 0.847 0.000 0.988 4 F CB 0.060 39.462 39.000 0.671 0.000 1.275 4 F HN 0.437 nan 8.300 nan 0.000 0.488 5 Y N 0.234 121.115 120.300 0.969 0.000 2.286 5 Y HA 0.628 5.178 4.550 -0.001 0.000 0.347 5 Y C -0.331 175.892 175.900 0.539 0.000 1.351 5 Y CA -1.096 57.306 58.100 0.503 0.000 1.640 5 Y CB -0.335 38.080 38.460 -0.075 0.000 1.560 5 Y HN 0.560 nan 8.280 nan 0.000 0.574 6 L N -0.576 120.805 121.223 0.262 0.000 3.099 6 L HA 0.275 4.614 4.340 -0.001 0.000 0.165 6 L C 0.199 177.087 176.870 0.030 0.000 1.151 6 L CA 1.610 56.508 54.840 0.098 0.000 0.878 6 L CB -0.265 41.900 42.059 0.176 0.000 1.615 6 L HN 1.016 nan 8.230 nan 0.000 0.545 7 T N -0.519 114.112 114.554 0.128 0.000 2.900 7 T HA 0.708 5.058 4.350 -0.001 0.000 0.295 7 T C -0.731 174.043 174.700 0.124 0.000 1.044 7 T CA -0.513 61.648 62.100 0.103 0.000 0.995 7 T CB 2.091 71.017 68.868 0.098 0.000 1.072 7 T HN 0.230 nan 8.240 nan 0.000 0.473 8 V N -1.097 118.848 119.914 0.052 0.000 2.841 8 V HA 1.000 5.120 4.120 -0.001 0.000 0.310 8 V C -1.229 174.865 176.094 -0.000 0.000 1.090 8 V CA -0.834 61.437 62.300 -0.048 0.000 0.930 8 V CB 1.663 33.344 31.823 -0.237 0.000 1.014 8 V HN 1.117 nan 8.190 nan 0.000 0.425 9 E N 1.465 121.684 120.200 0.031 0.000 2.429 9 E HA 0.509 4.858 4.350 -0.001 0.000 0.276 9 E C -1.578 175.073 176.600 0.084 0.000 0.953 9 E CA -0.487 55.991 56.400 0.129 0.000 0.787 9 E CB 2.429 32.337 29.700 0.347 0.000 1.307 9 E HN 0.898 nan 8.360 nan 0.000 0.458 10 Q N 2.311 122.202 119.800 0.152 0.000 2.325 10 Q HA 0.620 4.960 4.340 -0.001 0.000 0.270 10 Q C -1.267 174.803 176.000 0.116 0.000 1.020 10 Q CA -0.516 55.329 55.803 0.069 0.000 0.785 10 Q CB 0.939 29.720 28.738 0.072 0.000 1.259 10 Q HN 0.560 nan 8.270 nan 0.000 0.452 11 I N 2.354 122.922 120.570 -0.004 0.000 2.752 11 I HA 0.596 4.766 4.170 -0.001 0.000 0.295 11 I C 0.466 176.538 176.117 -0.075 0.000 1.219 11 I CA -0.573 60.738 61.300 0.019 0.000 1.030 11 I CB 2.120 40.206 38.000 0.144 0.000 1.259 11 I HN 0.888 nan 8.210 nan 0.000 0.423 12 G N 4.218 113.001 108.800 -0.028 0.000 2.569 12 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.259 12 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.259 12 G C -0.373 174.486 174.900 -0.069 0.000 1.263 12 G CA 0.231 45.306 45.100 -0.043 0.000 0.928 12 G HN 0.704 nan 8.290 nan 0.000 0.572 13 D N 1.167 121.519 120.400 -0.080 0.000 2.587 13 D HA 0.460 5.100 4.640 -0.001 0.000 0.233 13 D C 0.682 176.920 176.300 -0.103 0.000 1.213 13 D CA 0.806 54.756 54.000 -0.083 0.000 0.827 13 D CB 0.207 40.967 40.800 -0.067 0.000 1.006 13 D HN 0.847 nan 8.370 nan 0.000 0.490 14 S N -0.869 114.718 115.700 -0.187 0.000 2.564 14 S HA 0.580 5.049 4.470 -0.001 0.000 0.274 14 S C -0.712 173.599 174.600 -0.482 0.000 1.124 14 S CA -0.972 57.054 58.200 -0.289 0.000 0.869 14 S CB 2.075 65.067 63.200 -0.347 0.000 1.105 14 S HN -0.135 nan 8.310 nan 0.000 0.472 15 I N 1.806 122.137 120.570 -0.399 0.000 2.437 15 I HA 0.517 4.686 4.170 -0.001 0.000 0.298 15 I C -1.228 174.575 176.117 -0.524 0.000 0.984 15 I CA -1.022 60.031 61.300 -0.412 0.000 1.214 15 I CB 1.122 38.947 38.000 -0.291 0.000 1.365 15 I HN 0.658 nan 8.210 nan 0.000 0.469 16 F N 4.112 123.947 119.950 -0.192 0.000 2.477 16 F HA 0.419 4.945 4.527 -0.001 0.000 0.335 16 F C 0.226 175.928 175.800 -0.163 0.000 1.130 16 F CA -0.906 56.954 58.000 -0.234 0.000 0.948 16 F CB 1.245 39.887 39.000 -0.596 0.000 1.154 16 F HN 0.406 nan 8.300 nan 0.000 0.439 17 E N 2.687 122.959 120.200 0.119 0.000 2.308 17 E HA 0.630 4.979 4.350 -0.001 0.000 0.275 17 E C -1.406 175.369 176.600 0.292 0.000 0.890 17 E CA -1.159 55.306 56.400 0.109 0.000 0.754 17 E CB 1.884 31.510 29.700 -0.123 0.000 1.207 17 E HN 0.512 nan 8.360 nan 0.000 0.426 18 R N 2.331 123.036 120.500 0.341 0.000 2.407 18 R HA 0.511 4.850 4.340 -0.001 0.000 0.303 18 R C -0.961 175.645 176.300 0.510 0.000 0.981 18 R CA -0.781 55.558 56.100 0.398 0.000 0.905 18 R CB 0.844 31.277 30.300 0.223 0.000 1.099 18 R HN 0.712 nan 8.270 nan 0.000 0.459 19 Y N -0.500 119.896 120.300 0.160 0.000 2.750 19 Y HA 0.530 5.079 4.550 -0.001 0.000 0.335 19 Y C -1.504 174.455 175.900 0.100 0.000 1.252 19 Y CA -1.669 56.554 58.100 0.206 0.000 1.064 19 Y CB 0.727 39.361 38.460 0.290 0.000 1.321 19 Y HN 0.178 nan 8.280 nan 0.000 0.451 20 I N 2.889 123.405 120.570 -0.090 0.000 2.648 20 I HA 0.377 4.546 4.170 -0.001 0.000 0.304 20 I C -0.287 175.653 176.117 -0.294 0.000 1.009 20 I CA -0.893 60.216 61.300 -0.317 0.000 1.114 20 I CB 1.638 39.383 38.000 -0.426 0.000 1.293 20 I HN 0.883 nan 8.210 nan 0.000 0.449 21 D N 2.182 122.424 120.400 -0.263 0.000 2.650 21 D HA 0.261 4.901 4.640 -0.001 0.000 0.255 21 D C 0.771 176.994 176.300 -0.129 0.000 1.135 21 D CA -0.362 53.560 54.000 -0.130 0.000 1.099 21 D CB 0.626 41.381 40.800 -0.075 0.000 1.273 21 D HN 0.388 nan 8.370 nan 0.000 0.628 22 S N -0.139 115.521 115.700 -0.067 0.000 2.400 22 S HA -0.223 4.246 4.470 -0.001 0.000 0.234 22 S C 0.847 175.413 174.600 -0.057 0.000 1.049 22 S CA 1.043 59.211 58.200 -0.053 0.000 1.039 22 S CB -0.942 62.242 63.200 -0.028 0.000 0.856 22 S HN 0.652 nan 8.310 nan 0.000 0.465 23 N N 1.448 120.111 118.700 -0.063 0.000 2.511 23 N HA 0.356 5.096 4.740 -0.001 0.000 0.249 23 N C 0.026 175.484 175.510 -0.086 0.000 0.971 23 N CA -0.191 52.825 53.050 -0.057 0.000 0.938 23 N CB 1.054 39.517 38.487 -0.041 0.000 1.131 23 N HN 0.207 nan 8.380 nan 0.000 0.505 24 G N 2.402 111.150 108.800 -0.087 0.000 2.467 24 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.283 24 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.283 24 G C 0.018 174.855 174.900 -0.106 0.000 0.615 24 G CA -0.104 44.933 45.100 -0.105 0.000 2.098 24 G HN 0.547 nan 8.290 nan 0.000 0.546 25 R N 1.269 121.683 120.500 -0.142 0.000 2.310 25 R HA 0.179 4.518 4.340 -0.001 0.000 0.316 25 R C 0.078 176.252 176.300 -0.210 0.000 1.004 25 R CA -0.642 55.374 56.100 -0.140 0.000 0.900 25 R CB 1.548 31.779 30.300 -0.115 0.000 1.152 25 R HN 0.473 nan 8.270 nan 0.000 0.513 26 E N 3.418 123.521 120.200 -0.162 0.000 2.529 26 E HA -0.029 4.320 4.350 -0.001 0.000 0.259 26 E C -0.435 176.054 176.600 -0.186 0.000 0.966 26 E CA 0.861 57.160 56.400 -0.168 0.000 0.937 26 E CB 0.605 30.250 29.700 -0.092 0.000 0.923 26 E HN 0.382 nan 8.360 nan 0.000 0.468 27 R N 1.363 121.711 120.500 -0.253 0.000 2.733 27 R HA 0.326 4.665 4.340 -0.001 0.000 0.272 27 R C -1.359 175.014 176.300 0.123 0.000 1.029 27 R CA -0.611 55.420 56.100 -0.115 0.000 0.888 27 R CB 2.098 32.308 30.300 -0.150 0.000 1.251 27 R HN 0.413 nan 8.270 nan 0.000 0.464 28 T N 1.275 115.969 114.554 0.234 0.000 2.856 28 T HA 0.572 4.921 4.350 -0.001 0.000 0.283 28 T C -0.690 174.221 174.700 0.352 0.000 1.008 28 T CA -0.705 61.602 62.100 0.346 0.000 0.997 28 T CB 1.422 70.439 68.868 0.249 0.000 0.992 28 T HN 0.283 nan 8.240 nan 0.000 0.454 29 R N 1.079 121.769 120.500 0.316 0.000 2.807 29 R HA 0.525 4.864 4.340 -0.001 0.000 0.276 29 R C -0.831 175.586 176.300 0.195 0.000 0.979 29 R CA -0.869 55.352 56.100 0.201 0.000 0.928 29 R CB 1.961 32.300 30.300 0.064 0.000 1.191 29 R HN 0.518 nan 8.270 nan 0.000 0.471 30 E N 2.267 122.568 120.200 0.169 0.000 2.210 30 E HA 0.375 4.724 4.350 -0.001 0.000 0.266 30 E C -1.639 174.978 176.600 0.028 0.000 0.883 30 E CA -0.607 55.877 56.400 0.140 0.000 0.761 30 E CB 2.066 31.917 29.700 0.252 0.000 1.156 30 E HN 0.245 nan 8.360 nan 0.000 0.412 31 V N 4.423 124.302 119.914 -0.058 0.000 2.567 31 V HA 0.181 4.300 4.120 -0.001 0.000 0.298 31 V C -0.800 175.295 176.094 0.001 0.000 1.047 31 V CA -0.786 61.523 62.300 0.016 0.000 0.880 31 V CB 1.839 33.741 31.823 0.131 0.000 1.009 31 V HN 0.655 nan 8.190 nan 0.000 0.429 32 E N 3.984 124.190 120.200 0.010 0.000 2.166 32 E HA 0.232 4.582 4.350 -0.001 0.000 0.279 32 E C -1.084 175.573 176.600 0.095 0.000 1.095 32 E CA -0.290 56.117 56.400 0.011 0.000 0.888 32 E CB 0.811 30.504 29.700 -0.010 0.000 1.041 32 E HN 0.538 nan 8.360 nan 0.000 0.414 33 Y N 3.476 123.734 120.300 -0.070 0.000 2.304 33 Y HA 0.123 4.672 4.550 -0.001 0.000 0.328 33 Y C -0.137 175.688 175.900 -0.125 0.000 1.123 33 Y CA -1.213 56.837 58.100 -0.084 0.000 1.218 33 Y CB 0.800 39.241 38.460 -0.032 0.000 1.207 33 Y HN 0.238 nan 8.280 nan 0.000 0.495 34 K N 8.383 128.591 120.400 -0.321 0.000 2.290 34 K HA 0.267 4.586 4.320 -0.001 0.000 0.250 34 K C -2.765 173.342 176.600 -0.822 0.000 1.092 34 K CA -1.744 54.297 56.287 -0.410 0.000 1.006 34 K CB 0.330 32.707 32.500 -0.204 0.000 1.549 34 K HN 0.482 nan 8.250 nan 0.000 0.436 35 P HA 0.094 nan 4.420 nan 0.000 0.275 35 P C -0.670 176.382 177.300 -0.413 0.000 1.228 35 P CA -0.271 62.343 63.100 -0.810 0.000 0.786 35 P CB 0.999 32.186 31.700 -0.854 0.000 0.927 36 S N 2.339 117.867 115.700 -0.286 0.000 2.502 36 S HA 0.589 5.058 4.470 -0.001 0.000 0.304 36 S C 0.068 174.517 174.600 -0.253 0.000 1.097 36 S CA -0.683 57.380 58.200 -0.229 0.000 1.045 36 S CB 0.943 64.016 63.200 -0.212 0.000 1.019 36 S HN 0.330 nan 8.310 nan 0.000 0.481 37 L N 1.675 122.651 121.223 -0.412 0.000 2.235 37 L HA 0.740 5.079 4.340 -0.001 0.000 0.260 37 L C -1.405 175.040 176.870 -0.709 0.000 1.025 37 L CA -0.996 53.611 54.840 -0.389 0.000 0.836 37 L CB 1.254 43.025 42.059 -0.480 0.000 1.395 37 L HN 0.555 nan 8.230 nan 0.000 0.443 38 F N 0.127 120.031 119.950 -0.077 0.000 2.569 38 F HA 0.698 5.225 4.527 -0.001 0.000 0.312 38 F C -0.028 175.864 175.800 0.153 0.000 1.109 38 F CA -0.570 57.415 58.000 -0.025 0.000 0.919 38 F CB 2.035 40.967 39.000 -0.114 0.000 1.211 38 F HN 0.333 nan 8.300 nan 0.000 0.446 39 A N 1.815 124.816 122.820 0.303 0.000 2.365 39 A HA 0.662 4.981 4.320 -0.001 0.000 0.318 39 A C -1.198 176.486 177.584 0.167 0.000 1.091 39 A CA -0.679 51.519 52.037 0.269 0.000 0.763 39 A CB 0.493 19.720 19.000 0.377 0.000 1.248 39 A HN 0.896 nan 8.150 nan 0.000 0.442 40 H N -0.350 118.827 119.070 0.179 0.000 2.871 40 H HA 0.331 4.887 4.556 -0.001 0.000 0.355 40 H C 0.495 175.892 175.328 0.116 0.000 1.092 40 H CA 1.196 57.325 56.048 0.136 0.000 1.420 40 H CB 0.526 30.354 29.762 0.108 0.000 1.400 40 H HN 0.896 nan 8.280 nan 0.000 0.604 41 C N 3.337 122.785 119.300 0.246 0.000 2.634 41 C HA 0.552 5.012 4.460 -0.001 0.000 0.313 41 C C -2.586 172.481 174.990 0.128 0.000 1.198 41 C CA -2.514 56.597 59.018 0.156 0.000 1.605 41 C CB 1.743 29.557 27.740 0.124 0.000 2.196 41 C HN 0.594 nan 8.230 nan 0.000 0.486 42 P HA 0.150 nan 4.420 nan 0.000 0.268 42 P C 0.595 177.938 177.300 0.073 0.000 1.204 42 P CA 0.712 63.853 63.100 0.069 0.000 0.768 42 P CB 0.736 32.466 31.700 0.051 0.000 0.842 43 E N 1.994 122.237 120.200 0.071 0.000 2.277 43 E HA -0.277 4.073 4.350 -0.001 0.000 0.216 43 E C 1.778 178.423 176.600 0.074 0.000 1.068 43 E CA 2.723 59.171 56.400 0.081 0.000 0.866 43 E CB -0.430 29.309 29.700 0.064 0.000 0.749 43 E HN 0.517 nan 8.360 nan 0.000 0.465 44 S N 0.407 116.140 115.700 0.056 0.000 2.488 44 S HA -0.155 4.315 4.470 -0.001 0.000 0.246 44 S C 0.675 175.305 174.600 0.049 0.000 0.992 44 S CA 0.511 58.739 58.200 0.046 0.000 0.963 44 S CB -0.116 63.106 63.200 0.036 0.000 0.754 44 S HN 0.160 nan 8.310 nan 0.000 0.519 45 Q N 1.281 121.116 119.800 0.059 0.000 2.364 45 Q HA 0.503 4.842 4.340 -0.001 0.000 0.267 45 Q C -0.276 175.758 176.000 0.057 0.000 0.999 45 Q CA 0.090 55.926 55.803 0.055 0.000 0.886 45 Q CB 0.805 29.581 28.738 0.063 0.000 1.243 45 Q HN 0.354 nan 8.270 nan 0.000 0.415 46 A N 2.716 125.559 122.820 0.039 0.000 2.801 46 A HA 0.566 4.886 4.320 -0.001 0.000 0.344 46 A C -0.371 177.216 177.584 0.005 0.000 1.322 46 A CA -0.384 51.674 52.037 0.035 0.000 0.913 46 A CB 0.011 19.027 19.000 0.028 0.000 1.140 46 A HN 0.693 nan 8.150 nan 0.000 0.487 47 T N -1.146 113.395 114.554 -0.021 0.000 2.816 47 T HA 0.555 4.905 4.350 -0.001 0.000 0.299 47 T C -0.042 174.514 174.700 -0.240 0.000 1.230 47 T CA -1.091 60.936 62.100 -0.122 0.000 1.007 47 T CB 1.339 70.151 68.868 -0.094 0.000 1.289 47 T HN 0.603 nan 8.240 nan 0.000 0.508 48 K N -0.536 119.621 120.400 -0.405 0.000 2.731 48 K HA 0.475 4.794 4.320 -0.001 0.000 0.284 48 K C -0.986 175.105 176.600 -0.848 0.000 1.027 48 K CA -0.847 55.187 56.287 -0.421 0.000 1.040 48 K CB -0.195 32.096 32.500 -0.347 0.000 1.334 48 K HN 0.632 nan 8.250 nan 0.000 0.498 49 Y N -0.956 119.030 120.300 -0.523 0.000 2.724 49 Y HA -0.118 4.431 4.550 -0.001 0.000 0.048 49 Y C -1.244 174.085 175.900 -0.952 0.000 1.916 49 Y CA -0.186 57.599 58.100 -0.526 0.000 1.248 49 Y CB -2.176 36.110 38.460 -0.289 0.000 1.906 49 Y HN 0.530 nan 8.280 nan 0.000 0.287 50 F N 2.002 122.008 119.950 0.094 0.000 2.596 50 F HA 0.438 4.964 4.527 -0.001 0.000 0.311 50 F C 0.142 175.962 175.800 0.034 0.000 1.116 50 F CA -1.620 56.432 58.000 0.088 0.000 0.957 50 F CB 1.366 40.406 39.000 0.067 0.000 1.250 50 F HN 0.338 nan 8.300 nan 0.000 0.444 51 D N 2.401 122.942 120.400 0.235 0.000 2.352 51 D HA -0.016 4.624 4.640 -0.001 0.000 0.238 51 D C 1.443 177.787 176.300 0.073 0.000 1.286 51 D CA -0.347 53.727 54.000 0.123 0.000 0.923 51 D CB 0.609 41.541 40.800 0.220 0.000 1.146 51 D HN 0.495 nan 8.370 nan 0.000 0.471 52 I N -2.256 118.231 120.570 -0.138 0.000 3.233 52 I HA -0.165 4.005 4.170 -0.001 0.000 0.287 52 I C -0.001 175.913 176.117 -0.339 0.000 1.329 52 I CA 0.714 61.852 61.300 -0.268 0.000 1.385 52 I CB -1.840 35.936 38.000 -0.373 0.000 1.053 52 I HN 0.248 nan 8.210 nan 0.000 0.525 53 Y N 1.423 121.775 120.300 0.088 0.000 2.430 53 Y HA 0.492 5.042 4.550 -0.001 0.000 0.248 53 Y C 2.102 178.030 175.900 0.048 0.000 1.108 53 Y CA 0.112 58.248 58.100 0.060 0.000 1.264 53 Y CB 0.341 38.845 38.460 0.073 0.000 1.172 53 Y HN 0.354 nan 8.280 nan 0.000 0.520 54 G N -0.265 108.659 108.800 0.207 0.000 2.349 54 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.213 54 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.213 54 G C 0.321 175.398 174.900 0.294 0.000 1.044 54 G CA -0.395 44.784 45.100 0.131 0.000 0.633 54 G HN 0.073 nan 8.290 nan 0.000 0.506 55 K N 3.120 123.691 120.400 0.284 0.000 2.511 55 K HA 0.348 4.667 4.320 -0.001 0.000 0.280 55 K C -1.638 175.219 176.600 0.428 0.000 1.008 55 K CA -0.902 55.548 56.287 0.272 0.000 1.050 55 K CB 0.692 33.251 32.500 0.099 0.000 0.889 55 K HN 0.380 nan 8.250 nan 0.000 0.484 56 P HA 0.298 nan 4.420 nan 0.000 0.278 56 P C -0.772 176.641 177.300 0.188 0.000 1.266 56 P CA -0.592 62.607 63.100 0.164 0.000 0.807 56 P CB 0.977 32.737 31.700 0.100 0.000 1.094 57 C N -1.365 117.976 119.300 0.068 0.000 3.239 57 C HA 0.688 5.148 4.460 -0.001 0.000 0.317 57 C C 0.176 175.302 174.990 0.227 0.000 1.310 57 C CA -0.465 58.653 59.018 0.166 0.000 1.371 57 C CB 1.459 29.280 27.740 0.135 0.000 1.714 57 C HN 0.697 nan 8.230 nan 0.000 0.473 58 T N -1.005 113.680 114.554 0.220 0.000 2.940 58 T HA 0.655 5.005 4.350 -0.001 0.000 0.288 58 T C -0.580 174.117 174.700 -0.004 0.000 1.033 58 T CA -0.655 61.553 62.100 0.180 0.000 1.033 58 T CB 1.349 70.268 68.868 0.086 0.000 1.079 58 T HN 0.852 nan 8.240 nan 0.000 0.496 59 R N 1.098 121.511 120.500 -0.146 0.000 2.297 59 R HA 0.332 4.672 4.340 -0.001 0.000 0.308 59 R C -0.543 175.451 176.300 -0.510 0.000 1.029 59 R CA -0.663 55.018 56.100 -0.698 0.000 0.929 59 R CB 0.427 30.488 30.300 -0.398 0.000 1.046 59 R HN 0.565 nan 8.270 nan 0.000 0.461 60 K N 6.000 126.000 120.400 -0.667 0.000 2.464 60 K HA 0.200 4.520 4.320 -0.001 0.000 0.252 60 K C -0.608 175.750 176.600 -0.403 0.000 1.000 60 K CA -0.696 55.280 56.287 -0.518 0.000 0.951 60 K CB 1.423 33.569 32.500 -0.589 0.000 1.183 60 K HN 0.421 nan 8.250 nan 0.000 0.445 61 L N 3.520 124.527 121.223 -0.360 0.000 2.331 61 L HA 0.222 4.561 4.340 -0.001 0.000 0.278 61 L C 0.039 176.720 176.870 -0.314 0.000 1.106 61 L CA 0.207 54.903 54.840 -0.239 0.000 0.824 61 L CB 0.181 42.118 42.059 -0.203 0.000 1.142 61 L HN 0.543 nan 8.230 nan 0.000 0.443 62 F N 3.665 123.398 119.950 -0.361 0.000 2.714 62 F HA 0.199 4.726 4.527 -0.001 0.000 0.294 62 F C 1.921 177.569 175.800 -0.252 0.000 1.120 62 F CA 0.626 58.432 58.000 -0.323 0.000 1.398 62 F CB -0.216 38.562 39.000 -0.370 0.000 1.120 62 F HN 0.730 nan 8.300 nan 0.000 0.589 63 A N 0.297 123.061 122.820 -0.094 0.000 3.408 63 A HA -0.318 4.001 4.320 -0.001 0.000 0.269 63 A C 0.597 178.132 177.584 -0.082 0.000 1.124 63 A CA 1.653 53.630 52.037 -0.100 0.000 0.999 63 A CB -2.153 16.787 19.000 -0.101 0.000 1.067 63 A HN 0.469 nan 8.150 nan 0.000 0.815 64 N N -2.320 116.337 118.700 -0.072 0.000 2.367 64 N HA 0.533 5.273 4.740 -0.001 0.000 0.278 64 N C 0.220 175.634 175.510 -0.161 0.000 1.117 64 N CA -0.028 52.972 53.050 -0.084 0.000 0.867 64 N CB 1.030 39.494 38.487 -0.039 0.000 1.649 64 N HN 0.144 nan 8.380 nan 0.000 0.479 65 M N 1.675 121.144 119.600 -0.219 0.000 2.236 65 M HA 0.090 4.570 4.480 -0.001 0.000 0.266 65 M C 1.873 177.973 176.300 -0.334 0.000 1.070 65 M CA 1.079 56.139 55.300 -0.401 0.000 1.137 65 M CB 0.105 32.511 32.600 -0.323 0.000 1.378 65 M HN 0.628 nan 8.290 nan 0.000 0.426 66 R N 0.013 120.428 120.500 -0.142 0.000 2.189 66 R HA -0.134 4.205 4.340 -0.001 0.000 0.218 66 R C 1.099 177.393 176.300 -0.009 0.000 1.074 66 R CA 1.505 57.574 56.100 -0.052 0.000 0.991 66 R CB -0.137 30.156 30.300 -0.011 0.000 0.883 66 R HN 0.293 nan 8.270 nan 0.000 0.457 67 D N 0.958 121.362 120.400 0.006 0.000 2.097 67 D HA -0.136 4.503 4.640 -0.001 0.000 0.195 67 D C 1.814 178.196 176.300 0.136 0.000 0.989 67 D CA 1.621 55.710 54.000 0.149 0.000 0.827 67 D CB -0.399 40.583 40.800 0.303 0.000 0.966 67 D HN 0.366 nan 8.370 nan 0.000 0.456 68 A N 1.012 123.681 122.820 -0.252 0.000 1.869 68 A HA -0.267 4.052 4.320 -0.001 0.000 0.218 68 A C 2.435 180.002 177.584 -0.029 0.000 1.203 68 A CA 2.859 54.494 52.037 -0.669 0.000 0.638 68 A CB -0.997 17.463 19.000 -0.900 0.000 0.831 68 A HN 0.246 nan 8.150 nan 0.000 0.450 69 S N -0.556 115.189 115.700 0.074 0.000 2.378 69 S HA -0.319 4.151 4.470 -0.001 0.000 0.229 69 S C 2.099 176.791 174.600 0.153 0.000 1.052 69 S CA 1.915 60.219 58.200 0.174 0.000 1.084 69 S CB -0.484 62.803 63.200 0.146 0.000 0.950 69 S HN 0.620 nan 8.310 nan 0.000 0.440 70 Q N 0.111 120.000 119.800 0.149 0.000 2.020 70 Q HA -0.090 4.250 4.340 -0.001 0.000 0.202 70 Q C 1.718 177.839 176.000 0.202 0.000 0.982 70 Q CA 1.696 57.590 55.803 0.151 0.000 0.838 70 Q CB -0.648 28.178 28.738 0.146 0.000 0.899 70 Q HN 0.731 nan 8.270 nan 0.000 0.423 71 W N 0.329 121.684 121.300 0.091 0.000 2.305 71 W HA -0.218 4.442 4.660 -0.001 0.000 0.308 71 W C 1.463 178.027 176.519 0.075 0.000 1.226 71 W CA 1.841 59.264 57.345 0.130 0.000 1.253 71 W CB -0.220 29.418 29.460 0.296 0.000 1.146 71 W HN 0.185 nan 8.180 nan 0.000 0.507 72 I N 0.303 121.019 120.570 0.243 0.000 2.439 72 I HA -0.245 3.924 4.170 -0.001 0.000 0.251 72 I C 2.567 178.651 176.117 -0.055 0.000 1.139 72 I CA 0.951 62.274 61.300 0.038 0.000 1.438 72 I CB -0.760 37.339 38.000 0.164 0.000 1.085 72 I HN -0.171 nan 8.210 nan 0.000 0.427 73 K N 1.857 122.259 120.400 0.004 0.000 1.991 73 K HA -0.159 4.160 4.320 -0.001 0.000 0.212 73 K C 2.189 178.745 176.600 -0.073 0.000 1.049 73 K CA 1.729 58.006 56.287 -0.017 0.000 0.932 73 K CB -0.392 32.116 32.500 0.014 0.000 0.717 73 K HN 0.210 nan 8.250 nan 0.000 0.441 74 R N -0.283 120.162 120.500 -0.091 0.000 2.119 74 R HA -0.167 4.172 4.340 -0.001 0.000 0.246 74 R C 2.383 178.558 176.300 -0.208 0.000 1.146 74 R CA 1.815 57.835 56.100 -0.133 0.000 0.962 74 R CB -0.396 29.822 30.300 -0.137 0.000 0.863 74 R HN 0.171 nan 8.270 nan 0.000 0.442 75 M N 1.055 120.449 119.600 -0.343 0.000 2.163 75 M HA -0.219 4.260 4.480 -0.001 0.000 0.258 75 M C 1.913 178.090 176.300 -0.204 0.000 1.071 75 M CA 1.796 56.873 55.300 -0.372 0.000 1.093 75 M CB -0.951 31.351 32.600 -0.497 0.000 1.285 75 M HN 0.160 nan 8.290 nan 0.000 0.420 76 E N -0.618 119.491 120.200 -0.153 0.000 2.268 76 E HA -0.177 4.172 4.350 -0.001 0.000 0.195 76 E C 1.465 178.017 176.600 -0.080 0.000 0.995 76 E CA 0.791 57.133 56.400 -0.097 0.000 0.836 76 E CB -0.153 29.504 29.700 -0.072 0.000 0.763 76 E HN 0.470 nan 8.360 nan 0.000 0.491 77 D N 0.260 120.609 120.400 -0.086 0.000 2.219 77 D HA -0.094 4.546 4.640 -0.001 0.000 0.205 77 D C 1.574 177.835 176.300 -0.065 0.000 0.970 77 D CA 0.677 54.638 54.000 -0.065 0.000 0.851 77 D CB 0.148 40.911 40.800 -0.061 0.000 0.943 77 D HN 0.104 nan 8.370 nan 0.000 0.488 78 I N -0.816 119.704 120.570 -0.084 0.000 2.270 78 I HA 0.140 4.310 4.170 -0.001 0.000 0.239 78 I C 1.926 178.007 176.117 -0.060 0.000 1.080 78 I CA 1.238 62.495 61.300 -0.072 0.000 1.383 78 I CB -0.178 37.768 38.000 -0.089 0.000 1.097 78 I HN 0.156 nan 8.210 nan 0.000 0.420 79 G N -0.461 108.297 108.800 -0.069 0.000 2.276 79 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.177 79 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.177 79 G C 0.068 174.940 174.900 -0.048 0.000 1.017 79 G CA -0.569 44.499 45.100 -0.054 0.000 0.750 79 G HN 0.119 nan 8.290 nan 0.000 0.506 80 L N 1.988 123.171 121.223 -0.067 0.000 2.265 80 L HA 0.395 4.734 4.340 -0.001 0.000 0.288 80 L C 0.835 177.671 176.870 -0.057 0.000 1.058 80 L CA -0.535 54.275 54.840 -0.049 0.000 0.809 80 L CB 1.364 43.381 42.059 -0.071 0.000 1.179 80 L HN 0.326 nan 8.230 nan 0.000 0.429 81 E N 3.226 123.433 120.200 0.012 0.000 2.415 81 E HA 0.155 4.504 4.350 -0.001 0.000 0.263 81 E C -0.568 176.037 176.600 0.008 0.000 0.995 81 E CA -0.319 56.093 56.400 0.020 0.000 0.915 81 E CB 0.932 30.685 29.700 0.088 0.000 0.951 81 E HN 0.637 nan 8.360 nan 0.000 0.449 82 A N 6.178 129.005 122.820 0.011 0.000 2.511 82 A HA 0.328 4.647 4.320 -0.001 0.000 0.340 82 A C -0.759 176.935 177.584 0.183 0.000 1.396 82 A CA -0.666 51.453 52.037 0.137 0.000 0.887 82 A CB 0.110 19.159 19.000 0.081 0.000 1.145 82 A HN 0.506 nan 8.150 nan 0.000 0.497 83 L N 1.595 122.905 121.223 0.146 0.000 2.453 83 L HA 0.741 5.080 4.340 -0.001 0.000 0.261 83 L C 1.144 178.135 176.870 0.201 0.000 1.179 83 L CA 1.604 56.501 54.840 0.095 0.000 0.813 83 L CB 0.540 42.581 42.059 -0.030 0.000 1.110 83 L HN 1.075 nan 8.230 nan 0.000 0.466 84 G N 1.240 110.120 108.800 0.135 0.000 2.334 84 G HA2 0.159 4.119 3.960 -0.001 0.000 0.315 84 G HA3 0.159 4.119 3.960 -0.001 0.000 0.315 84 G C -1.437 173.573 174.900 0.184 0.000 1.284 84 G CA -0.709 44.518 45.100 0.212 0.000 0.985 84 G HN 0.498 nan 8.290 nan 0.000 0.504 85 M N 2.056 121.804 119.600 0.248 0.000 2.111 85 M HA 0.431 4.911 4.480 -0.001 0.000 0.351 85 M C 1.170 177.434 176.300 -0.060 0.000 1.214 85 M CA -1.035 54.349 55.300 0.140 0.000 1.120 85 M CB 0.230 32.927 32.600 0.163 0.000 1.443 85 M HN 0.539 nan 8.290 nan 0.000 0.429 86 D N 1.536 121.832 120.400 -0.174 0.000 2.178 86 D HA -0.132 4.507 4.640 -0.001 0.000 0.202 86 D C 0.209 175.991 176.300 -0.864 0.000 0.974 86 D CA 0.926 54.656 54.000 -0.451 0.000 0.841 86 D CB -0.343 40.309 40.800 -0.246 0.000 0.953 86 D HN 0.608 nan 8.370 nan 0.000 0.478 87 D N -0.257 119.851 120.400 -0.487 0.000 2.402 87 D HA -0.030 4.610 4.640 -0.001 0.000 0.235 87 D C 0.195 176.293 176.300 -0.337 0.000 1.226 87 D CA -0.384 53.366 54.000 -0.416 0.000 0.918 87 D CB 0.183 40.847 40.800 -0.225 0.000 1.043 87 D HN -0.081 nan 8.370 nan 0.000 0.506 88 F N 3.366 123.306 119.950 -0.017 0.000 2.126 88 F HA -0.176 4.351 4.527 -0.001 0.000 0.299 88 F C 2.349 178.177 175.800 0.046 0.000 1.096 88 F CA 0.784 58.811 58.000 0.044 0.000 1.255 88 F CB -0.486 38.556 39.000 0.071 0.000 0.997 88 F HN 0.346 nan 8.300 nan 0.000 0.479 89 K N 0.525 120.998 120.400 0.122 0.000 2.052 89 K HA -0.227 4.093 4.320 -0.001 0.000 0.215 89 K C 2.077 178.624 176.600 -0.089 0.000 1.053 89 K CA 1.842 58.122 56.287 -0.012 0.000 0.934 89 K CB -1.031 31.423 32.500 -0.076 0.000 0.717 89 K HN 0.303 nan 8.250 nan 0.000 0.450 90 L N 0.520 121.648 121.223 -0.159 0.000 2.127 90 L HA -0.194 4.146 4.340 -0.001 0.000 0.211 90 L C 2.714 179.395 176.870 -0.315 0.000 1.089 90 L CA 1.332 56.002 54.840 -0.283 0.000 0.757 90 L CB -0.920 40.913 42.059 -0.376 0.000 0.899 90 L HN 0.285 nan 8.230 nan 0.000 0.434 91 A N -0.448 122.264 122.820 -0.180 0.000 1.873 91 A HA -0.268 4.051 4.320 -0.001 0.000 0.215 91 A C 2.188 179.847 177.584 0.125 0.000 1.186 91 A CA 1.225 53.267 52.037 0.008 0.000 0.616 91 A CB -0.896 18.272 19.000 0.279 0.000 0.823 91 A HN 0.412 nan 8.150 nan 0.000 0.442 92 Y N 1.217 121.445 120.300 -0.121 0.000 2.030 92 Y HA -0.321 4.229 4.550 -0.001 0.000 0.272 92 Y C 2.000 177.720 175.900 -0.300 0.000 1.185 92 Y CA 2.074 59.836 58.100 -0.563 0.000 1.120 92 Y CB -0.762 37.298 38.460 -0.667 0.000 0.955 92 Y HN 0.245 nan 8.280 nan 0.000 0.495 93 L N -0.938 120.350 121.223 0.107 0.000 1.990 93 L HA -0.304 4.035 4.340 -0.001 0.000 0.213 93 L C 2.765 179.639 176.870 0.007 0.000 1.072 93 L CA 2.014 56.789 54.840 -0.108 0.000 0.755 93 L CB -1.312 40.483 42.059 -0.440 0.000 0.889 93 L HN 0.254 nan 8.230 nan 0.000 0.432 94 S N -0.510 115.213 115.700 0.038 0.000 2.399 94 S HA -0.181 4.289 4.470 -0.001 0.000 0.231 94 S C 1.414 176.119 174.600 0.174 0.000 1.022 94 S CA 1.675 59.970 58.200 0.159 0.000 0.983 94 S CB -0.246 63.187 63.200 0.388 0.000 0.803 94 S HN 0.419 nan 8.310 nan 0.000 0.480 95 D N 0.718 121.203 120.400 0.141 0.000 2.077 95 D HA -0.055 4.585 4.640 -0.001 0.000 0.196 95 D C 2.375 178.737 176.300 0.102 0.000 0.986 95 D CA 1.984 56.050 54.000 0.111 0.000 0.829 95 D CB -0.950 39.890 40.800 0.066 0.000 0.983 95 D HN 0.597 nan 8.370 nan 0.000 0.453 96 T N -2.023 112.586 114.554 0.092 0.000 2.962 96 T HA -0.154 4.196 4.350 -0.001 0.000 0.270 96 T C 0.594 175.439 174.700 0.242 0.000 1.088 96 T CA 0.816 63.030 62.100 0.190 0.000 1.127 96 T CB -0.307 68.752 68.868 0.319 0.000 0.883 96 T HN 0.098 nan 8.240 nan 0.000 0.493 97 Y N 2.543 122.843 120.300 0.000 0.000 2.578 97 Y HA 0.340 4.889 4.550 -0.001 0.000 0.317 97 Y C 0.516 176.221 175.900 -0.324 0.000 0.940 97 Y CA -2.323 55.655 58.100 -0.203 0.000 1.174 97 Y CB -0.556 37.782 38.460 -0.202 0.000 1.198 97 Y HN 0.321 nan 8.280 nan 0.000 0.597 98 N N 1.378 120.124 118.700 0.077 0.000 3.167 98 N HA 0.006 4.746 4.740 -0.001 0.000 0.318 98 N C -0.783 174.894 175.510 0.278 0.000 1.268 98 N CA 0.430 53.578 53.050 0.162 0.000 1.197 98 N CB -0.704 37.914 38.487 0.219 0.000 1.464 98 N HN 0.531 nan 8.380 nan 0.000 0.555 99 Y N -3.505 116.902 120.300 0.178 0.000 2.810 99 Y HA 0.321 4.870 4.550 -0.001 0.000 0.355 99 Y C -0.701 175.327 175.900 0.213 0.000 1.211 99 Y CA -1.537 56.664 58.100 0.167 0.000 1.112 99 Y CB 0.383 38.927 38.460 0.139 0.000 1.383 99 Y HN 0.054 nan 8.280 nan 0.000 0.458 100 E N 1.849 122.268 120.200 0.365 0.000 2.415 100 E HA 0.104 4.453 4.350 -0.001 0.000 0.260 100 E C 0.488 177.327 176.600 0.399 0.000 1.016 100 E CA -0.086 56.506 56.400 0.320 0.000 0.924 100 E CB 0.373 30.247 29.700 0.291 0.000 0.961 100 E HN 0.643 nan 8.360 nan 0.000 0.459 101 I N 3.808 124.572 120.570 0.323 0.000 2.179 101 I HA -0.210 3.959 4.170 -0.001 0.000 0.242 101 I C 0.505 176.873 176.117 0.418 0.000 1.088 101 I CA 1.268 62.807 61.300 0.399 0.000 1.357 101 I CB -0.901 37.379 38.000 0.467 0.000 1.051 101 I HN 0.753 nan 8.210 nan 0.000 0.409 102 K N 1.412 121.980 120.400 0.280 0.000 5.760 102 K HA -0.224 4.096 4.320 -0.001 0.000 0.466 102 K C -0.642 176.010 176.600 0.087 0.000 1.122 102 K CA 0.245 56.596 56.287 0.107 0.000 1.299 102 K CB -1.431 31.147 32.500 0.131 0.000 1.874 102 K HN 0.377 nan 8.250 nan 0.000 0.355 103 Y N -0.829 119.347 120.300 -0.206 0.000 2.335 103 Y HA 0.343 4.893 4.550 -0.001 0.000 0.323 103 Y C 1.150 176.992 175.900 -0.097 0.000 1.224 103 Y CA -1.277 56.488 58.100 -0.557 0.000 1.241 103 Y CB 0.788 38.486 38.460 -1.271 0.000 1.235 103 Y HN 0.378 nan 8.280 nan 0.000 0.492 104 D N -0.105 120.434 120.400 0.232 0.000 2.144 104 D HA -0.162 4.478 4.640 -0.001 0.000 0.207 104 D C 1.123 177.538 176.300 0.192 0.000 0.970 104 D CA 2.149 56.285 54.000 0.226 0.000 0.853 104 D CB 0.022 41.005 40.800 0.305 0.000 1.007 104 D HN 1.071 nan 8.370 nan 0.000 0.469 105 H N -1.321 117.841 119.070 0.153 0.000 4.778 105 H HA -0.234 4.322 4.556 -0.001 0.000 0.078 105 H C 0.893 176.279 175.328 0.095 0.000 0.593 105 H CA 2.977 59.094 56.048 0.115 0.000 1.029 105 H CB -2.344 27.519 29.762 0.169 0.000 0.441 105 H HN 0.179 nan 8.280 nan 0.000 0.772 106 T N -0.878 113.338 114.554 -0.564 0.000 3.308 106 T HA 0.195 4.544 4.350 -0.001 0.000 0.255 106 T C 1.002 175.637 174.700 -0.109 0.000 1.162 106 T CA 0.894 62.747 62.100 -0.412 0.000 1.031 106 T CB 0.006 68.625 68.868 -0.415 0.000 0.973 106 T HN 0.676 nan 8.240 nan 0.000 0.544 107 K N 0.643 121.034 120.400 -0.015 0.000 2.506 107 K HA 0.388 4.707 4.320 -0.001 0.000 0.204 107 K C -0.434 176.207 176.600 0.067 0.000 1.045 107 K CA -0.155 56.154 56.287 0.037 0.000 1.074 107 K CB 0.718 33.265 32.500 0.079 0.000 0.842 107 K HN 0.416 nan 8.250 nan 0.000 0.514 108 I N 1.766 122.374 120.570 0.063 0.000 2.405 108 I HA 0.236 4.406 4.170 -0.001 0.000 0.280 108 I C -0.048 176.075 176.117 0.009 0.000 1.027 108 I CA -0.819 60.516 61.300 0.058 0.000 1.161 108 I CB 1.234 39.284 38.000 0.084 0.000 1.300 108 I HN -0.024 nan 8.210 nan 0.000 0.463 109 R N 5.777 126.257 120.500 -0.034 0.000 2.637 109 R HA 0.172 4.512 4.340 -0.001 0.000 0.331 109 R C -0.508 175.739 176.300 -0.089 0.000 1.166 109 R CA -0.027 56.022 56.100 -0.085 0.000 0.993 109 R CB -0.004 30.214 30.300 -0.137 0.000 1.012 109 R HN 0.444 nan 8.270 nan 0.000 0.461 110 V N 2.566 122.433 119.914 -0.079 0.000 3.336 110 V HA 0.547 4.666 4.120 -0.001 0.000 0.304 110 V C 0.278 176.291 176.094 -0.135 0.000 1.073 110 V CA -0.007 62.251 62.300 -0.070 0.000 1.074 110 V CB 1.573 33.371 31.823 -0.041 0.000 1.161 110 V HN 0.836 nan 8.190 nan 0.000 0.460 111 A N 2.156 124.913 122.820 -0.105 0.000 2.541 111 A HA 0.445 4.765 4.320 -0.001 0.000 0.285 111 A C -0.710 176.821 177.584 -0.087 0.000 1.058 111 A CA -0.566 51.384 52.037 -0.145 0.000 0.886 111 A CB 0.299 19.273 19.000 -0.042 0.000 1.411 111 A HN 0.826 nan 8.150 nan 0.000 0.403 112 N N 1.338 119.951 118.700 -0.145 0.000 2.524 112 N HA 0.816 5.555 4.740 -0.001 0.000 0.283 112 N C -0.587 174.921 175.510 -0.004 0.000 1.142 112 N CA -0.049 52.970 53.050 -0.051 0.000 0.984 112 N CB 0.759 39.234 38.487 -0.021 0.000 1.155 112 N HN 0.899 nan 8.380 nan 0.000 0.467 113 F N 0.193 120.088 119.950 -0.092 0.000 2.770 113 F HA 0.486 5.012 4.527 -0.001 0.000 0.313 113 F C -2.285 173.537 175.800 0.037 0.000 1.154 113 F CA -1.059 56.905 58.000 -0.059 0.000 0.923 113 F CB 1.261 40.188 39.000 -0.121 0.000 1.301 113 F HN 0.266 nan 8.300 nan 0.000 0.449 114 D N 1.742 122.262 120.400 0.200 0.000 2.756 114 D HA 0.656 5.296 4.640 -0.001 0.000 0.226 114 D C -1.617 174.855 176.300 0.286 0.000 1.186 114 D CA -0.129 53.940 54.000 0.114 0.000 0.845 114 D CB 2.699 43.517 40.800 0.030 0.000 1.610 114 D HN 0.885 nan 8.370 nan 0.000 0.465 115 I N -0.718 120.003 120.570 0.252 0.000 2.730 115 I HA 0.697 4.866 4.170 -0.001 0.000 0.298 115 I C -1.025 175.190 176.117 0.163 0.000 1.089 115 I CA -0.483 60.934 61.300 0.196 0.000 1.041 115 I CB 2.282 40.406 38.000 0.207 0.000 1.235 115 I HN -0.055 nan 8.210 nan 0.000 0.423 116 E N 4.042 124.307 120.200 0.109 0.000 2.238 116 E HA 0.772 5.121 4.350 -0.001 0.000 0.267 116 E C -1.374 175.319 176.600 0.154 0.000 0.887 116 E CA -0.719 55.762 56.400 0.135 0.000 0.769 116 E CB 2.638 32.388 29.700 0.082 0.000 1.187 116 E HN 0.569 nan 8.360 nan 0.000 0.416 117 V N 1.608 121.619 119.914 0.161 0.000 2.760 117 V HA 0.416 4.535 4.120 -0.001 0.000 0.309 117 V C -0.222 175.966 176.094 0.156 0.000 1.077 117 V CA -0.729 61.646 62.300 0.125 0.000 0.910 117 V CB 2.396 34.196 31.823 -0.039 0.000 1.008 117 V HN 0.588 nan 8.190 nan 0.000 0.424 118 T N 3.290 117.915 114.554 0.118 0.000 2.795 118 T HA 0.621 4.970 4.350 -0.001 0.000 0.282 118 T C -0.343 174.219 174.700 -0.231 0.000 0.980 118 T CA -0.168 61.902 62.100 -0.049 0.000 1.012 118 T CB 1.279 70.069 68.868 -0.131 0.000 0.936 118 T HN 0.817 nan 8.240 nan 0.000 0.457 119 S N 3.805 119.295 115.700 -0.350 0.000 2.540 119 S HA 0.513 4.983 4.470 -0.001 0.000 0.275 119 S C -1.896 172.420 174.600 -0.474 0.000 1.123 119 S CA -1.648 56.215 58.200 -0.561 0.000 0.907 119 S CB 1.837 64.992 63.200 -0.075 0.000 1.081 119 S HN 0.368 nan 8.310 nan 0.000 0.476 120 P HA -0.109 nan 4.420 nan 0.000 0.216 120 P C -0.324 176.872 177.300 -0.174 0.000 1.154 120 P CA 1.351 64.272 63.100 -0.299 0.000 0.865 120 P CB -0.412 31.173 31.700 -0.192 0.000 0.789 121 D N -0.169 120.159 120.400 -0.119 0.000 2.359 121 D HA 0.170 4.809 4.640 -0.001 0.000 0.230 121 D C 1.396 177.564 176.300 -0.221 0.000 1.118 121 D CA -0.492 53.446 54.000 -0.103 0.000 0.844 121 D CB 0.862 41.681 40.800 0.030 0.000 1.059 121 D HN 0.000 nan 8.370 nan 0.000 0.493 122 G N 2.170 110.698 108.800 -0.452 0.000 2.743 122 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.222 122 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.222 122 G C 0.155 174.709 174.900 -0.576 0.000 1.085 122 G CA 0.471 45.192 45.100 -0.632 0.000 0.716 122 G HN 0.478 nan 8.290 nan 0.000 0.604 123 F N 1.652 121.635 119.950 0.055 0.000 2.443 123 F HA 0.397 4.923 4.527 -0.001 0.000 0.369 123 F C -2.095 173.798 175.800 0.156 0.000 1.090 123 F CA -3.824 54.212 58.000 0.060 0.000 1.129 123 F CB 1.538 40.554 39.000 0.027 0.000 1.367 123 F HN -0.174 nan 8.300 nan 0.000 0.465 124 P HA 0.087 nan 4.420 nan 0.000 0.274 124 P C -0.361 177.198 177.300 0.431 0.000 1.246 124 P CA -0.242 63.129 63.100 0.452 0.000 0.795 124 P CB 1.355 33.416 31.700 0.602 0.000 1.006 125 E N 1.866 122.244 120.200 0.297 0.000 2.046 125 E HA 0.187 4.537 4.350 -0.001 0.000 0.279 125 E C -1.755 174.914 176.600 0.114 0.000 0.989 125 E CA -1.928 54.593 56.400 0.201 0.000 0.798 125 E CB 0.870 30.626 29.700 0.094 0.000 1.086 125 E HN 0.240 nan 8.360 nan 0.000 0.399 126 P HA -0.060 nan 4.420 nan 0.000 0.228 126 P C 0.959 178.175 177.300 -0.141 0.000 1.151 126 P CA 0.807 63.903 63.100 -0.006 0.000 0.770 126 P CB 0.480 32.261 31.700 0.135 0.000 0.786 127 S N -0.046 115.613 115.700 -0.068 0.000 2.406 127 S HA -0.127 4.343 4.470 -0.001 0.000 0.228 127 S C 1.720 176.255 174.600 -0.110 0.000 1.020 127 S CA 1.100 59.263 58.200 -0.061 0.000 0.965 127 S CB -0.398 62.792 63.200 -0.016 0.000 0.798 127 S HN 0.370 nan 8.310 nan 0.000 0.488 128 Q N -0.182 119.518 119.800 -0.166 0.000 2.245 128 Q HA 0.479 4.819 4.340 -0.001 0.000 0.250 128 Q C 0.482 176.296 176.000 -0.310 0.000 0.830 128 Q CA 0.709 56.403 55.803 -0.182 0.000 0.950 128 Q CB -0.297 28.377 28.738 -0.107 0.000 1.124 128 Q HN 0.314 nan 8.270 nan 0.000 0.502 129 A N 2.246 124.739 122.820 -0.545 0.000 2.519 129 A HA -0.252 4.067 4.320 -0.001 0.000 0.297 129 A C 0.687 178.098 177.584 -0.289 0.000 1.472 129 A CA 1.211 52.720 52.037 -0.880 0.000 0.739 129 A CB -2.014 16.325 19.000 -1.102 0.000 1.096 129 A HN 0.575 nan 8.150 nan 0.000 0.414 130 K N -0.304 119.953 120.400 -0.238 0.000 2.487 130 K HA 0.171 4.490 4.320 -0.001 0.000 0.192 130 K C 0.322 176.945 176.600 0.039 0.000 1.027 130 K CA 1.056 57.266 56.287 -0.128 0.000 1.054 130 K CB -0.025 32.391 32.500 -0.141 0.000 0.824 130 K HN 0.875 nan 8.250 nan 0.000 0.510 131 H N 1.087 120.339 119.070 0.304 0.000 2.572 131 H HA 0.282 4.837 4.556 -0.001 0.000 0.359 131 H C -2.520 173.019 175.328 0.351 0.000 1.134 131 H CA -2.937 53.327 56.048 0.361 0.000 1.187 131 H CB 1.717 31.750 29.762 0.451 0.000 1.597 131 H HN -0.048 nan 8.280 nan 0.000 0.524 132 P HA 0.026 nan 4.420 nan 0.000 0.271 132 P C -0.229 177.224 177.300 0.256 0.000 1.218 132 P CA 0.125 63.382 63.100 0.261 0.000 0.780 132 P CB 1.339 33.142 31.700 0.171 0.000 0.901 133 I N 2.702 123.385 120.570 0.189 0.000 2.441 133 I HA 0.035 4.205 4.170 -0.001 0.000 0.287 133 I C 1.051 177.240 176.117 0.121 0.000 1.049 133 I CA 0.160 61.524 61.300 0.108 0.000 1.381 133 I CB 0.490 38.529 38.000 0.066 0.000 1.409 133 I HN 0.381 nan 8.210 nan 0.000 0.523 134 D N 4.060 124.550 120.400 0.150 0.000 2.395 134 D HA 0.456 5.096 4.640 -0.001 0.000 0.213 134 D C -0.083 176.339 176.300 0.203 0.000 1.110 134 D CA -0.233 53.875 54.000 0.180 0.000 0.835 134 D CB 0.743 41.651 40.800 0.180 0.000 0.965 134 D HN 0.499 nan 8.370 nan 0.000 0.505 135 A N 0.151 123.059 122.820 0.147 0.000 2.590 135 A HA 0.630 4.949 4.320 -0.001 0.000 0.296 135 A C -1.875 175.722 177.584 0.022 0.000 1.050 135 A CA -0.845 51.248 52.037 0.094 0.000 0.697 135 A CB 0.839 19.910 19.000 0.118 0.000 1.277 135 A HN 0.152 nan 8.150 nan 0.000 0.411 136 I N 1.610 122.176 120.570 -0.007 0.000 2.599 136 I HA 0.303 4.472 4.170 -0.001 0.000 0.285 136 I C -0.442 175.713 176.117 0.063 0.000 1.168 136 I CA -0.249 61.017 61.300 -0.056 0.000 1.060 136 I CB 2.509 40.248 38.000 -0.434 0.000 1.249 136 I HN 0.582 nan 8.210 nan 0.000 0.442 137 T N 3.420 118.050 114.554 0.126 0.000 2.837 137 T HA 0.346 4.695 4.350 -0.001 0.000 0.285 137 T C -0.700 174.186 174.700 0.310 0.000 0.984 137 T CA -0.229 62.002 62.100 0.217 0.000 1.049 137 T CB 0.745 69.724 68.868 0.185 0.000 0.947 137 T HN 0.548 nan 8.240 nan 0.000 0.472 138 H N 2.186 121.421 119.070 0.275 0.000 2.808 138 H HA 0.301 4.857 4.556 -0.001 0.000 0.268 138 H C -1.436 174.031 175.328 0.232 0.000 1.306 138 H CA -0.741 55.480 56.048 0.289 0.000 1.565 138 H CB 0.095 30.038 29.762 0.302 0.000 1.632 138 H HN 0.576 nan 8.280 nan 0.000 0.525 139 Y N 3.705 123.933 120.300 -0.119 0.000 2.496 139 Y HA 0.162 4.711 4.550 -0.001 0.000 0.334 139 Y C -0.451 175.422 175.900 -0.046 0.000 1.080 139 Y CA -0.525 57.385 58.100 -0.316 0.000 1.355 139 Y CB 0.513 38.437 38.460 -0.894 0.000 1.193 139 Y HN 0.608 nan 8.280 nan 0.000 0.523 140 D N 4.626 124.906 120.400 -0.199 0.000 2.473 140 D HA 0.089 4.728 4.640 -0.001 0.000 0.226 140 D C 1.047 176.985 176.300 -0.603 0.000 1.089 140 D CA 0.397 54.204 54.000 -0.321 0.000 0.883 140 D CB 0.976 41.740 40.800 -0.059 0.000 1.029 140 D HN 0.767 nan 8.370 nan 0.000 0.517 141 S N 4.336 119.435 115.700 -1.002 0.000 2.406 141 S HA -0.303 4.166 4.470 -0.001 0.000 0.242 141 S C 2.037 176.611 174.600 -0.043 0.000 1.079 141 S CA 0.692 58.571 58.200 -0.536 0.000 1.133 141 S CB -0.310 62.739 63.200 -0.252 0.000 1.005 141 S HN 0.530 nan 8.310 nan 0.000 0.443 142 I N 3.556 124.093 120.570 -0.055 0.000 2.068 142 I HA -0.201 3.969 4.170 -0.001 0.000 0.238 142 I C 2.091 178.280 176.117 0.120 0.000 1.046 142 I CA 1.790 63.106 61.300 0.027 0.000 1.306 142 I CB -1.551 36.442 38.000 -0.012 0.000 1.023 142 I HN 0.355 nan 8.210 nan 0.000 0.399 143 D N -0.264 120.242 120.400 0.176 0.000 2.348 143 D HA -0.136 4.503 4.640 -0.001 0.000 0.216 143 D C 1.059 177.592 176.300 0.389 0.000 0.970 143 D CA 0.847 55.022 54.000 0.292 0.000 0.889 143 D CB -0.288 40.757 40.800 0.408 0.000 0.912 143 D HN 0.375 nan 8.370 nan 0.000 0.524 144 D N -0.321 120.385 120.400 0.511 0.000 3.070 144 D HA -0.185 4.454 4.640 -0.001 0.000 0.220 144 D C -0.539 176.142 176.300 0.635 0.000 1.176 144 D CA 0.787 55.181 54.000 0.656 0.000 0.924 144 D CB -0.137 40.878 40.800 0.359 0.000 1.124 144 D HN 0.077 nan 8.370 nan 0.000 0.411 145 R N -0.190 120.755 120.500 0.741 0.000 2.589 145 R HA 0.465 4.804 4.340 -0.001 0.000 0.293 145 R C -0.398 176.520 176.300 1.029 0.000 0.963 145 R CA -0.613 55.920 56.100 0.720 0.000 0.905 145 R CB 0.562 31.155 30.300 0.488 0.000 1.144 145 R HN -0.028 nan 8.270 nan 0.000 0.459 146 F N 3.140 123.369 119.950 0.464 0.000 2.350 146 F HA 0.280 4.807 4.527 -0.001 0.000 0.365 146 F C -0.008 176.081 175.800 0.482 0.000 1.122 146 F CA -0.916 57.384 58.000 0.500 0.000 1.139 146 F CB 0.207 39.347 39.000 0.232 0.000 1.220 146 F HN 0.232 nan 8.300 nan 0.000 0.499 147 Y N 2.172 122.682 120.300 0.349 0.000 2.335 147 Y HA 0.480 5.030 4.550 -0.001 0.000 0.331 147 Y C 0.153 176.152 175.900 0.164 0.000 1.094 147 Y CA -1.291 56.883 58.100 0.124 0.000 1.253 147 Y CB 0.666 39.083 38.460 -0.072 0.000 1.203 147 Y HN 0.153 nan 8.280 nan 0.000 0.508 148 V N 5.601 125.556 119.914 0.069 0.000 2.443 148 V HA 0.367 4.487 4.120 -0.001 0.000 0.293 148 V C -0.824 175.154 176.094 -0.193 0.000 1.021 148 V CA -1.019 61.288 62.300 0.011 0.000 0.848 148 V CB 0.805 32.530 31.823 -0.164 0.000 0.998 148 V HN 0.400 nan 8.190 nan 0.000 0.424 149 F N 2.613 122.459 119.950 -0.175 0.000 2.420 149 F HA 0.634 5.160 4.527 -0.001 0.000 0.342 149 F C 0.252 175.987 175.800 -0.107 0.000 1.113 149 F CA -0.866 57.097 58.000 -0.061 0.000 1.059 149 F CB 1.324 40.207 39.000 -0.194 0.000 1.128 149 F HN 0.372 nan 8.300 nan 0.000 0.475 150 D N 2.658 123.166 120.400 0.179 0.000 2.629 150 D HA 0.348 4.987 4.640 -0.001 0.000 0.250 150 D C -1.602 174.872 176.300 0.290 0.000 1.126 150 D CA -0.475 53.588 54.000 0.105 0.000 0.852 150 D CB 2.004 42.694 40.800 -0.183 0.000 1.335 150 D HN 0.361 nan 8.370 nan 0.000 0.518 151 L N 4.734 126.104 121.223 0.244 0.000 2.265 151 L HA 0.381 4.721 4.340 -0.001 0.000 0.289 151 L C 0.126 177.109 176.870 0.189 0.000 1.033 151 L CA -0.069 54.905 54.840 0.224 0.000 0.814 151 L CB 0.930 43.094 42.059 0.176 0.000 1.203 151 L HN 0.556 nan 8.230 nan 0.000 0.423 152 L N 3.850 125.162 121.223 0.148 0.000 2.554 152 L HA 0.291 4.631 4.340 -0.001 0.000 0.225 152 L C 0.056 176.952 176.870 0.043 0.000 1.104 152 L CA 0.077 54.953 54.840 0.059 0.000 0.866 152 L CB -0.093 41.997 42.059 0.052 0.000 1.047 152 L HN 0.605 nan 8.230 nan 0.000 0.468 153 N N 0.335 119.079 118.700 0.072 0.000 2.904 153 N HA 0.153 4.892 4.740 -0.001 0.000 0.257 153 N C -0.781 174.759 175.510 0.049 0.000 1.363 153 N CA 0.070 53.151 53.050 0.051 0.000 0.856 153 N CB 1.485 40.003 38.487 0.052 0.000 1.166 153 N HN -0.096 nan 8.380 nan 0.000 0.499 154 S N 1.087 116.815 115.700 0.046 0.000 2.593 154 S HA 0.532 5.002 4.470 -0.001 0.000 0.297 154 S C -1.811 172.783 174.600 -0.011 0.000 1.112 154 S CA -1.676 56.542 58.200 0.031 0.000 1.043 154 S CB 1.516 64.767 63.200 0.085 0.000 1.054 154 S HN 0.156 nan 8.310 nan 0.000 0.516 155 P HA 0.030 nan 4.420 nan 0.000 0.242 155 P C -0.040 177.191 177.300 -0.116 0.000 1.197 155 P CA 0.540 63.553 63.100 -0.145 0.000 0.765 155 P CB -0.132 31.421 31.700 -0.245 0.000 0.936 156 Y N 0.292 120.583 120.300 -0.014 0.000 2.458 156 Y HA 0.492 5.041 4.550 -0.001 0.000 0.256 156 Y C 1.427 177.302 175.900 -0.043 0.000 1.159 156 Y CA -0.271 57.806 58.100 -0.039 0.000 1.261 156 Y CB 0.366 38.790 38.460 -0.060 0.000 1.119 156 Y HN -0.028 nan 8.280 nan 0.000 0.524 157 G N 0.625 109.488 108.800 0.106 0.000 2.158 157 G HA2 -0.029 3.931 3.960 -0.001 0.000 0.238 157 G HA3 -0.029 3.931 3.960 -0.001 0.000 0.238 157 G C -1.399 173.517 174.900 0.028 0.000 1.723 157 G CA -1.075 44.054 45.100 0.048 0.000 0.911 157 G HN 0.067 nan 8.290 nan 0.000 0.741 158 N N 0.388 119.095 118.700 0.011 0.000 2.425 158 N HA 0.657 5.396 4.740 -0.001 0.000 0.268 158 N C 0.234 175.732 175.510 -0.021 0.000 0.991 158 N CA -0.469 52.582 53.050 0.002 0.000 0.931 158 N CB 2.516 41.005 38.487 0.004 0.000 1.130 158 N HN 0.780 nan 8.380 nan 0.000 0.493 159 V N -0.262 119.619 119.914 -0.056 0.000 3.158 159 V HA 0.531 4.650 4.120 -0.001 0.000 0.311 159 V C -0.315 175.690 176.094 -0.148 0.000 1.181 159 V CA -0.904 61.327 62.300 -0.114 0.000 1.054 159 V CB 2.111 33.811 31.823 -0.206 0.000 1.085 159 V HN 0.420 nan 8.190 nan 0.000 0.446 160 E N 1.142 121.254 120.200 -0.145 0.000 2.343 160 E HA 0.305 4.654 4.350 -0.001 0.000 0.269 160 E C 0.121 176.657 176.600 -0.106 0.000 1.047 160 E CA -0.185 56.164 56.400 -0.086 0.000 0.874 160 E CB 1.192 30.879 29.700 -0.022 0.000 1.033 160 E HN 0.790 nan 8.360 nan 0.000 0.409 161 E N 0.985 121.197 120.200 0.020 0.000 2.849 161 E HA -0.048 4.301 4.350 -0.001 0.000 0.288 161 E C -0.325 176.513 176.600 0.398 0.000 1.469 161 E CA 0.571 57.078 56.400 0.178 0.000 1.339 161 E CB 0.385 30.137 29.700 0.087 0.000 0.972 161 E HN 0.438 nan 8.360 nan 0.000 0.619 162 W N -0.402 121.022 121.300 0.206 0.000 2.883 162 W HA 0.271 4.931 4.660 -0.001 0.000 0.335 162 W C -0.867 175.682 176.519 0.050 0.000 1.083 162 W CA -0.691 56.811 57.345 0.262 0.000 1.233 162 W CB 1.691 31.497 29.460 0.577 0.000 1.412 162 W HN 0.201 nan 8.180 nan 0.000 0.490 163 S N 5.441 120.717 115.700 -0.706 0.000 2.416 163 S HA 0.158 4.627 4.470 -0.001 0.000 0.287 163 S C 0.840 174.627 174.600 -1.355 0.000 1.139 163 S CA -0.329 57.367 58.200 -0.841 0.000 1.058 163 S CB 0.234 63.156 63.200 -0.462 0.000 0.967 163 S HN 0.489 nan 8.310 nan 0.000 0.495 164 I N 4.933 124.883 120.570 -1.034 0.000 2.127 164 I HA -0.153 4.016 4.170 -0.001 0.000 0.241 164 I C 2.666 178.514 176.117 -0.450 0.000 1.075 164 I CA 1.332 62.189 61.300 -0.739 0.000 1.334 164 I CB -0.603 37.214 38.000 -0.306 0.000 1.040 164 I HN 0.716 nan 8.210 nan 0.000 0.405 165 E N 1.414 121.406 120.200 -0.347 0.000 2.118 165 E HA -0.216 4.134 4.350 -0.001 0.000 0.195 165 E C 2.228 178.702 176.600 -0.210 0.000 0.992 165 E CA 1.758 58.022 56.400 -0.228 0.000 0.804 165 E CB -0.866 28.725 29.700 -0.182 0.000 0.741 165 E HN 0.553 nan 8.360 nan 0.000 0.458 166 I N 1.530 121.942 120.570 -0.264 0.000 2.353 166 I HA -0.132 4.037 4.170 -0.001 0.000 0.248 166 I C 2.721 178.750 176.117 -0.148 0.000 1.119 166 I CA 0.846 62.035 61.300 -0.185 0.000 1.417 166 I CB -0.395 37.499 38.000 -0.175 0.000 1.078 166 I HN 0.086 nan 8.210 nan 0.000 0.421 167 A N 1.123 123.818 122.820 -0.208 0.000 1.908 167 A HA -0.197 4.122 4.320 -0.001 0.000 0.218 167 A C 2.547 180.097 177.584 -0.057 0.000 1.181 167 A CA 1.919 53.915 52.037 -0.069 0.000 0.627 167 A CB -0.823 18.170 19.000 -0.012 0.000 0.818 167 A HN 0.422 nan 8.150 nan 0.000 0.445 168 A N -0.061 122.698 122.820 -0.102 0.000 2.076 168 A HA -0.062 4.258 4.320 -0.001 0.000 0.220 168 A C 1.454 179.000 177.584 -0.063 0.000 1.160 168 A CA 1.130 53.117 52.037 -0.082 0.000 0.653 168 A CB -0.358 18.582 19.000 -0.101 0.000 0.801 168 A HN 0.555 nan 8.150 nan 0.000 0.455 169 K N -0.412 119.951 120.400 -0.062 0.000 2.202 169 K HA 0.295 4.615 4.320 -0.001 0.000 0.238 169 K C 0.004 176.588 176.600 -0.028 0.000 1.070 169 K CA -0.397 55.863 56.287 -0.045 0.000 0.859 169 K CB 0.155 32.629 32.500 -0.043 0.000 1.140 169 K HN 0.133 nan 8.250 nan 0.000 0.515 170 L N 1.570 122.780 121.223 -0.021 0.000 2.387 170 L HA 0.087 4.426 4.340 -0.001 0.000 0.266 170 L C 1.801 178.669 176.870 -0.003 0.000 1.059 170 L CA -0.122 54.712 54.840 -0.011 0.000 0.801 170 L CB 1.049 43.101 42.059 -0.012 0.000 1.223 170 L HN 0.535 nan 8.230 nan 0.000 0.456 171 Q N 0.411 120.213 119.800 0.004 0.000 2.449 171 Q HA -0.216 4.124 4.340 -0.001 0.000 0.214 171 Q C 1.195 177.199 176.000 0.007 0.000 0.986 171 Q CA 1.391 57.201 55.803 0.011 0.000 0.893 171 Q CB 0.291 29.037 28.738 0.014 0.000 0.940 171 Q HN 0.541 nan 8.270 nan 0.000 0.477 172 E N 0.275 120.475 120.200 -0.000 0.000 2.042 172 E HA -0.109 4.241 4.350 -0.001 0.000 0.189 172 E C 1.528 178.124 176.600 -0.006 0.000 0.974 172 E CA 0.723 57.121 56.400 -0.003 0.000 0.806 172 E CB -0.152 29.544 29.700 -0.006 0.000 0.769 172 E HN 0.174 nan 8.360 nan 0.000 0.451 173 Q N -0.555 119.239 119.800 -0.011 0.000 2.515 173 Q HA 0.175 4.515 4.340 -0.001 0.000 0.214 173 Q C 0.445 176.438 176.000 -0.013 0.000 0.971 173 Q CA 0.779 56.572 55.803 -0.015 0.000 0.952 173 Q CB 0.254 28.977 28.738 -0.025 0.000 0.999 173 Q HN 0.415 nan 8.270 nan 0.000 0.524 174 G N -1.029 107.768 108.800 -0.004 0.000 2.132 174 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.228 174 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.228 174 G C 0.270 175.172 174.900 0.003 0.000 1.000 174 G CA -0.321 44.782 45.100 0.005 0.000 0.693 174 G HN 0.554 nan 8.290 nan 0.000 0.515 175 G N -0.147 108.651 108.800 -0.004 0.000 2.378 175 G HA2 0.444 4.404 3.960 -0.001 0.000 0.255 175 G HA3 0.444 4.404 3.960 -0.001 0.000 0.255 175 G C 0.472 175.382 174.900 0.016 0.000 1.270 175 G CA 0.135 45.230 45.100 -0.009 0.000 0.876 175 G HN 0.185 nan 8.290 nan 0.000 0.521 176 D N 1.691 122.107 120.400 0.027 0.000 2.332 176 D HA -0.009 4.630 4.640 -0.001 0.000 0.244 176 D C 0.614 176.952 176.300 0.064 0.000 1.136 176 D CA 0.261 54.305 54.000 0.073 0.000 0.884 176 D CB 0.143 41.020 40.800 0.127 0.000 0.906 176 D HN 0.574 nan 8.370 nan 0.000 0.520 177 E N 0.202 120.419 120.200 0.030 0.000 2.160 177 E HA -0.184 4.165 4.350 -0.001 0.000 0.180 177 E C -0.604 176.004 176.600 0.013 0.000 1.452 177 E CA 0.299 56.710 56.400 0.017 0.000 0.683 177 E CB -1.018 28.698 29.700 0.026 0.000 1.072 177 E HN 0.119 nan 8.360 nan 0.000 0.332 178 V N 1.735 121.645 119.914 -0.007 0.000 2.383 178 V HA 0.186 4.305 4.120 -0.001 0.000 0.275 178 V C -1.795 174.244 176.094 -0.092 0.000 1.036 178 V CA -1.628 60.649 62.300 -0.038 0.000 0.889 178 V CB 1.438 33.251 31.823 -0.017 0.000 0.985 178 V HN 0.148 nan 8.190 nan 0.000 0.459 179 P HA -0.013 nan 4.420 nan 0.000 0.253 179 P C 1.066 178.254 177.300 -0.187 0.000 1.159 179 P CA 0.483 63.486 63.100 -0.162 0.000 0.779 179 P CB 0.369 31.922 31.700 -0.245 0.000 0.745 180 S N 4.103 119.732 115.700 -0.118 0.000 2.390 180 S HA -0.302 4.167 4.470 -0.001 0.000 0.234 180 S C 1.580 176.103 174.600 -0.129 0.000 1.063 180 S CA 1.654 59.791 58.200 -0.105 0.000 1.108 180 S CB -0.831 62.328 63.200 -0.069 0.000 0.975 180 S HN 0.594 nan 8.310 nan 0.000 0.442 181 E N 2.201 122.327 120.200 -0.123 0.000 2.324 181 E HA -0.226 4.124 4.350 -0.001 0.000 0.205 181 E C 1.893 178.390 176.600 -0.171 0.000 1.031 181 E CA 1.614 57.946 56.400 -0.113 0.000 0.836 181 E CB -0.888 28.773 29.700 -0.064 0.000 0.742 181 E HN 0.921 nan 8.360 nan 0.000 0.491 182 I N -2.798 117.603 120.570 -0.282 0.000 4.403 182 I HA 0.096 4.266 4.170 -0.001 0.000 0.331 182 I C 1.847 177.783 176.117 -0.300 0.000 1.327 182 I CA -0.346 60.729 61.300 -0.375 0.000 1.175 182 I CB -0.054 37.503 38.000 -0.737 0.000 1.165 182 I HN -0.210 nan 8.210 nan 0.000 0.413 183 I N 3.319 123.762 120.570 -0.212 0.000 2.300 183 I HA -0.275 3.894 4.170 -0.001 0.000 0.252 183 I C 1.257 177.321 176.117 -0.088 0.000 1.119 183 I CA 1.926 63.147 61.300 -0.133 0.000 1.384 183 I CB -1.569 36.370 38.000 -0.102 0.000 1.062 183 I HN 0.467 nan 8.210 nan 0.000 0.426 184 D N 0.394 120.742 120.400 -0.086 0.000 2.339 184 D HA -0.015 4.625 4.640 -0.001 0.000 0.217 184 D C 1.670 177.947 176.300 -0.038 0.000 1.050 184 D CA 0.141 54.111 54.000 -0.052 0.000 0.856 184 D CB 0.030 40.803 40.800 -0.044 0.000 0.922 184 D HN 0.279 nan 8.370 nan 0.000 0.518 185 K N 0.044 120.401 120.400 -0.072 0.000 2.354 185 K HA 0.154 4.474 4.320 -0.001 0.000 0.194 185 K C 0.244 176.845 176.600 0.002 0.000 1.045 185 K CA -0.201 56.071 56.287 -0.026 0.000 1.026 185 K CB 0.814 33.260 32.500 -0.091 0.000 0.866 185 K HN 0.165 nan 8.250 nan 0.000 0.530 186 I N 1.876 122.413 120.570 -0.055 0.000 2.638 186 I HA -0.001 4.169 4.170 -0.001 0.000 0.286 186 I C 0.251 176.385 176.117 0.028 0.000 1.088 186 I CA -0.014 61.298 61.300 0.021 0.000 1.397 186 I CB 0.494 38.531 38.000 0.062 0.000 1.414 186 I HN -0.044 nan 8.210 nan 0.000 0.566 187 I N 6.647 127.223 120.570 0.011 0.000 2.641 187 I HA 0.109 4.278 4.170 -0.001 0.000 0.275 187 I C -0.729 175.362 176.117 -0.043 0.000 1.129 187 I CA -0.617 60.618 61.300 -0.108 0.000 1.094 187 I CB 0.108 37.839 38.000 -0.450 0.000 1.232 187 I HN 0.403 nan 8.210 nan 0.000 0.503 188 Y N 6.614 126.862 120.300 -0.087 0.000 2.336 188 Y HA 0.550 5.099 4.550 -0.001 0.000 0.331 188 Y C -0.302 175.504 175.900 -0.158 0.000 1.211 188 Y CA -0.424 57.623 58.100 -0.088 0.000 1.346 188 Y CB 1.233 39.732 38.460 0.065 0.000 1.271 188 Y HN 0.488 nan 8.280 nan 0.000 0.538 189 M N 8.469 128.159 119.600 0.150 0.000 2.210 189 M HA 0.272 4.751 4.480 -0.001 0.000 0.235 189 M C -2.738 173.469 176.300 -0.155 0.000 0.974 189 M CA -1.492 53.758 55.300 -0.083 0.000 1.043 189 M CB 1.919 34.333 32.600 -0.310 0.000 2.331 189 M HN 0.343 nan 8.290 nan 0.000 0.452 190 P HA 0.521 nan 4.420 nan 0.000 0.276 190 P C -1.164 175.948 177.300 -0.312 0.000 1.252 190 P CA -0.146 63.033 63.100 0.132 0.000 0.802 190 P CB 0.951 32.890 31.700 0.398 0.000 1.035 191 F N -0.867 119.154 119.950 0.119 0.000 2.588 191 F HA 0.232 4.759 4.527 -0.001 0.000 0.310 191 F C 1.279 177.134 175.800 0.092 0.000 1.082 191 F CA -0.421 57.641 58.000 0.103 0.000 0.929 191 F CB 1.248 40.318 39.000 0.118 0.000 1.254 191 F HN 0.145 nan 8.300 nan 0.000 0.455 192 D N 0.567 121.107 120.400 0.233 0.000 2.183 192 D HA -0.046 4.593 4.640 -0.001 0.000 0.203 192 D C 0.023 176.416 176.300 0.155 0.000 0.969 192 D CA 1.436 55.527 54.000 0.151 0.000 0.842 192 D CB 0.159 41.023 40.800 0.106 0.000 0.957 192 D HN 0.559 nan 8.370 nan 0.000 0.484 193 N N -1.087 117.730 118.700 0.195 0.000 2.710 193 N HA 0.018 4.758 4.740 -0.001 0.000 0.257 193 N C 0.426 176.030 175.510 0.157 0.000 1.327 193 N CA -0.471 52.669 53.050 0.151 0.000 0.861 193 N CB 1.565 40.118 38.487 0.110 0.000 1.532 193 N HN -0.254 nan 8.380 nan 0.000 0.499 194 E N 0.827 121.101 120.200 0.122 0.000 2.045 194 E HA -0.301 4.048 4.350 -0.001 0.000 0.212 194 E C 0.711 177.380 176.600 0.114 0.000 1.039 194 E CA 2.416 58.877 56.400 0.101 0.000 0.860 194 E CB -0.042 29.725 29.700 0.112 0.000 0.776 194 E HN 0.545 nan 8.360 nan 0.000 0.467 195 K N 0.800 121.307 120.400 0.179 0.000 2.097 195 K HA -0.247 4.072 4.320 -0.001 0.000 0.214 195 K C 1.997 178.740 176.600 0.238 0.000 1.052 195 K CA 2.135 58.593 56.287 0.284 0.000 0.932 195 K CB -0.338 32.267 32.500 0.175 0.000 0.716 195 K HN 0.255 nan 8.250 nan 0.000 0.455 196 E N -0.090 120.215 120.200 0.176 0.000 2.047 196 E HA -0.168 4.182 4.350 -0.001 0.000 0.191 196 E C 1.907 178.521 176.600 0.023 0.000 0.987 196 E CA 0.961 57.476 56.400 0.191 0.000 0.799 196 E CB -0.191 29.697 29.700 0.313 0.000 0.752 196 E HN 0.119 nan 8.360 nan 0.000 0.449 197 L N 1.301 122.412 121.223 -0.186 0.000 1.963 197 L HA -0.256 4.084 4.340 -0.001 0.000 0.220 197 L C 2.102 178.749 176.870 -0.371 0.000 1.076 197 L CA 1.816 56.202 54.840 -0.757 0.000 0.772 197 L CB -0.767 41.042 42.059 -0.416 0.000 0.892 197 L HN 0.135 nan 8.230 nan 0.000 0.435 198 L N -1.740 119.375 121.223 -0.179 0.000 1.990 198 L HA -0.301 4.039 4.340 -0.001 0.000 0.213 198 L C 2.609 179.403 176.870 -0.127 0.000 1.072 198 L CA 1.575 56.314 54.840 -0.168 0.000 0.755 198 L CB -0.825 41.077 42.059 -0.262 0.000 0.889 198 L HN 0.362 nan 8.230 nan 0.000 0.432 199 M N -0.271 119.301 119.600 -0.047 0.000 2.226 199 M HA -0.265 4.214 4.480 -0.001 0.000 0.257 199 M C 2.404 178.760 176.300 0.094 0.000 1.070 199 M CA 1.864 57.198 55.300 0.057 0.000 1.087 199 M CB -1.089 31.632 32.600 0.201 0.000 1.278 199 M HN 0.217 nan 8.290 nan 0.000 0.426 200 E N -0.895 119.389 120.200 0.139 0.000 2.049 200 E HA -0.248 4.101 4.350 -0.001 0.000 0.198 200 E C 1.977 178.812 176.600 0.393 0.000 1.007 200 E CA 1.483 58.044 56.400 0.270 0.000 0.809 200 E CB -0.957 28.956 29.700 0.355 0.000 0.749 200 E HN 0.537 nan 8.360 nan 0.000 0.450 201 Y N 1.428 121.831 120.300 0.172 0.000 2.062 201 Y HA -0.275 4.274 4.550 -0.001 0.000 0.276 201 Y C 2.499 178.499 175.900 0.167 0.000 1.189 201 Y CA 1.574 59.740 58.100 0.111 0.000 1.130 201 Y CB -1.028 37.169 38.460 -0.439 0.000 0.959 201 Y HN 0.063 nan 8.280 nan 0.000 0.499 202 L N 1.053 122.245 121.223 -0.051 0.000 1.963 202 L HA -0.371 3.968 4.340 -0.001 0.000 0.220 202 L C 2.186 179.067 176.870 0.017 0.000 1.076 202 L CA 2.642 57.373 54.840 -0.182 0.000 0.772 202 L CB -1.009 40.939 42.059 -0.185 0.000 0.892 202 L HN 0.269 nan 8.230 nan 0.000 0.435 203 N N -0.507 118.259 118.700 0.111 0.000 2.061 203 N HA -0.296 4.444 4.740 -0.001 0.000 0.193 203 N C 1.838 177.458 175.510 0.183 0.000 1.030 203 N CA 1.995 55.130 53.050 0.142 0.000 0.856 203 N CB -1.058 37.533 38.487 0.174 0.000 1.023 203 N HN 0.514 nan 8.380 nan 0.000 0.424 204 F N 0.436 120.478 119.950 0.154 0.000 2.091 204 F HA -0.210 4.317 4.527 -0.001 0.000 0.299 204 F C 2.320 178.177 175.800 0.095 0.000 1.103 204 F CA 1.327 59.433 58.000 0.175 0.000 1.228 204 F CB -0.711 38.494 39.000 0.341 0.000 0.984 204 F HN 0.093 nan 8.300 nan 0.000 0.477 205 W N 1.444 122.447 121.300 -0.496 0.000 2.353 205 W HA -0.163 4.496 4.660 -0.001 0.000 0.319 205 W C 2.676 178.934 176.519 -0.436 0.000 1.207 205 W CA 2.233 59.179 57.345 -0.665 0.000 1.291 205 W CB -0.714 28.395 29.460 -0.584 0.000 1.159 205 W HN 0.069 nan 8.180 nan 0.000 0.478 206 Q N -0.398 119.452 119.800 0.083 0.000 2.368 206 Q HA -0.286 4.054 4.340 -0.001 0.000 0.210 206 Q C 2.072 178.015 176.000 -0.094 0.000 0.982 206 Q CA 1.493 57.307 55.803 0.018 0.000 0.884 206 Q CB -0.226 28.536 28.738 0.040 0.000 0.933 206 Q HN 0.522 nan 8.270 nan 0.000 0.460 207 Q N 0.326 120.038 119.800 -0.146 0.000 2.204 207 Q HA -0.008 4.332 4.340 -0.001 0.000 0.198 207 Q C 0.162 176.006 176.000 -0.261 0.000 0.946 207 Q CA 0.677 56.396 55.803 -0.140 0.000 0.859 207 Q CB 0.610 29.325 28.738 -0.038 0.000 0.946 207 Q HN 0.035 nan 8.270 nan 0.000 0.474 208 K N 1.304 121.402 120.400 -0.503 0.000 3.206 208 K HA 0.224 4.543 4.320 -0.001 0.000 0.180 208 K C -1.207 174.963 176.600 -0.716 0.000 1.088 208 K CA -0.161 55.803 56.287 -0.540 0.000 0.872 208 K CB 1.459 33.593 32.500 -0.610 0.000 0.976 208 K HN -0.000 nan 8.250 nan 0.000 0.564 209 T N 3.298 117.456 114.554 -0.661 0.000 2.871 209 T HA 0.038 4.387 4.350 -0.001 0.000 0.296 209 T C -2.144 172.117 174.700 -0.731 0.000 0.998 209 T CA -0.758 60.782 62.100 -0.933 0.000 1.162 209 T CB 0.080 68.576 68.868 -0.621 0.000 0.947 209 T HN 0.136 nan 8.240 nan 0.000 0.536 210 P HA 0.250 nan 4.420 nan 0.000 0.274 210 P C 0.416 177.543 177.300 -0.289 0.000 1.260 210 P CA -0.498 62.334 63.100 -0.445 0.000 0.793 210 P CB 0.582 32.080 31.700 -0.337 0.000 1.048 211 V N -1.147 118.673 119.914 -0.157 0.000 2.948 211 V HA 0.146 4.266 4.120 -0.001 0.000 0.234 211 V C 0.815 176.877 176.094 -0.054 0.000 1.205 211 V CA 0.817 63.066 62.300 -0.085 0.000 1.234 211 V CB -0.208 31.588 31.823 -0.045 0.000 1.020 211 V HN 0.325 nan 8.190 nan 0.000 0.491 212 I N 1.282 121.825 120.570 -0.044 0.000 2.525 212 I HA 0.546 4.716 4.170 -0.001 0.000 0.301 212 I C -0.781 175.344 176.117 0.013 0.000 0.992 212 I CA -0.820 60.470 61.300 -0.017 0.000 1.162 212 I CB 1.593 39.586 38.000 -0.011 0.000 1.332 212 I HN 0.062 nan 8.210 nan 0.000 0.458 213 L N 3.767 125.023 121.223 0.056 0.000 2.376 213 L HA 0.579 4.918 4.340 -0.001 0.000 0.275 213 L C -0.124 176.812 176.870 0.110 0.000 0.987 213 L CA 0.228 55.145 54.840 0.129 0.000 0.828 213 L CB 1.715 43.897 42.059 0.205 0.000 1.249 213 L HN 0.746 nan 8.230 nan 0.000 0.409 214 T N 2.375 116.991 114.554 0.103 0.000 2.910 214 T HA 0.981 5.331 4.350 -0.001 0.000 0.287 214 T C -0.322 174.377 174.700 -0.001 0.000 1.050 214 T CA 0.078 62.237 62.100 0.098 0.000 1.011 214 T CB 1.609 70.570 68.868 0.155 0.000 1.195 214 T HN 0.923 nan 8.240 nan 0.000 0.540 215 G N 0.244 109.062 108.800 0.030 0.000 2.336 215 G HA2 0.357 4.316 3.960 -0.001 0.000 0.286 215 G HA3 0.357 4.316 3.960 -0.001 0.000 0.286 215 G C -2.284 172.708 174.900 0.154 0.000 1.269 215 G CA -0.558 44.495 45.100 -0.078 0.000 0.873 215 G HN 0.696 nan 8.290 nan 0.000 0.494 216 W N 1.921 123.160 121.300 -0.102 0.000 2.802 216 W HA 0.474 5.134 4.660 -0.001 0.000 0.331 216 W C 0.386 176.885 176.519 -0.034 0.000 1.021 216 W CA -0.173 57.158 57.345 -0.024 0.000 1.259 216 W CB 0.974 30.415 29.460 -0.031 0.000 1.323 216 W HN 0.914 nan 8.180 nan 0.000 0.432 217 N N 3.314 121.822 118.700 -0.319 0.000 2.863 217 N HA -0.252 4.487 4.740 -0.001 0.000 0.245 217 N C 0.851 176.346 175.510 -0.024 0.000 1.001 217 N CA 1.362 54.289 53.050 -0.206 0.000 0.901 217 N CB -0.714 37.720 38.487 -0.088 0.000 1.124 217 N HN 0.421 nan 8.380 nan 0.000 0.582 218 V N 0.735 120.625 119.914 -0.040 0.000 2.380 218 V HA -0.190 3.929 4.120 -0.001 0.000 0.251 218 V C 2.191 178.283 176.094 -0.004 0.000 1.063 218 V CA 2.818 65.084 62.300 -0.057 0.000 1.055 218 V CB -0.256 31.443 31.823 -0.207 0.000 0.657 218 V HN 0.415 nan 8.190 nan 0.000 0.455 219 E N -0.641 119.541 120.200 -0.029 0.000 2.158 219 E HA -0.114 4.235 4.350 -0.001 0.000 0.191 219 E C 2.201 178.787 176.600 -0.023 0.000 0.982 219 E CA 1.171 57.556 56.400 -0.024 0.000 0.823 219 E CB 0.021 29.688 29.700 -0.055 0.000 0.766 219 E HN 0.791 nan 8.360 nan 0.000 0.468 220 S N -0.228 115.460 115.700 -0.020 0.000 2.395 220 S HA -0.048 4.422 4.470 -0.001 0.000 0.225 220 S C 1.367 176.037 174.600 0.115 0.000 1.027 220 S CA 0.844 59.042 58.200 -0.003 0.000 0.965 220 S CB -0.057 63.115 63.200 -0.047 0.000 0.812 220 S HN 0.359 nan 8.310 nan 0.000 0.482 221 F N 1.389 121.333 119.950 -0.010 0.000 2.362 221 F HA 0.233 4.760 4.527 -0.001 0.000 0.264 221 F C 1.466 177.346 175.800 0.133 0.000 0.905 221 F CA 0.117 58.154 58.000 0.063 0.000 1.142 221 F CB -0.331 38.702 39.000 0.055 0.000 1.250 221 F HN -0.118 nan 8.300 nan 0.000 0.771 222 D N 1.960 122.381 120.400 0.035 0.000 2.321 222 D HA -0.279 4.361 4.640 -0.001 0.000 0.194 222 D C 2.292 178.607 176.300 0.026 0.000 1.013 222 D CA 2.870 56.848 54.000 -0.037 0.000 0.863 222 D CB -0.814 40.044 40.800 0.097 0.000 1.011 222 D HN 0.372 nan 8.370 nan 0.000 0.457 223 I N 1.559 122.232 120.570 0.172 0.000 2.064 223 I HA -0.299 3.871 4.170 -0.001 0.000 0.234 223 I C -0.604 175.547 176.117 0.056 0.000 1.019 223 I CA 1.657 63.062 61.300 0.175 0.000 1.301 223 I CB -1.896 36.184 38.000 0.134 0.000 1.017 223 I HN 0.063 nan 8.210 nan 0.000 0.392 224 P HA -0.259 nan 4.420 nan 0.000 0.217 224 P C 1.712 179.004 177.300 -0.014 0.000 1.162 224 P CA 1.757 64.844 63.100 -0.020 0.000 0.901 224 P CB -0.206 31.468 31.700 -0.043 0.000 0.793 225 Y N 0.418 120.590 120.300 -0.213 0.000 2.081 225 Y HA -0.272 4.278 4.550 -0.001 0.000 0.280 225 Y C 2.135 177.953 175.900 -0.138 0.000 1.163 225 Y CA 1.439 59.390 58.100 -0.249 0.000 1.135 225 Y CB -1.147 36.975 38.460 -0.563 0.000 0.970 225 Y HN -0.274 nan 8.280 nan 0.000 0.498 226 V N -0.393 119.613 119.914 0.154 0.000 2.220 226 V HA -0.400 3.720 4.120 -0.001 0.000 0.250 226 V C 2.072 178.142 176.094 -0.040 0.000 1.056 226 V CA 2.382 64.726 62.300 0.074 0.000 1.016 226 V CB -1.465 30.356 31.823 -0.004 0.000 0.639 226 V HN 0.570 nan 8.190 nan 0.000 0.446 227 Y N 1.605 121.812 120.300 -0.155 0.000 2.069 227 Y HA -0.311 4.238 4.550 -0.001 0.000 0.278 227 Y C 2.682 178.482 175.900 -0.168 0.000 1.175 227 Y CA 2.317 60.312 58.100 -0.176 0.000 1.134 227 Y CB -0.543 37.831 38.460 -0.144 0.000 0.965 227 Y HN 0.260 nan 8.280 nan 0.000 0.498 228 N N -0.024 118.660 118.700 -0.026 0.000 2.205 228 N HA -0.209 4.531 4.740 -0.001 0.000 0.186 228 N C 1.953 177.319 175.510 -0.240 0.000 1.015 228 N CA 1.462 54.422 53.050 -0.150 0.000 0.862 228 N CB -0.280 38.090 38.487 -0.195 0.000 0.986 228 N HN 0.298 nan 8.380 nan 0.000 0.429 229 R N 1.334 121.687 120.500 -0.244 0.000 2.055 229 R HA 0.159 4.498 4.340 -0.001 0.000 0.226 229 R C 2.281 178.488 176.300 -0.155 0.000 1.135 229 R CA 0.699 56.703 56.100 -0.160 0.000 0.959 229 R CB -0.725 29.563 30.300 -0.019 0.000 0.854 229 R HN 0.108 nan 8.270 nan 0.000 0.431 230 I N 1.254 121.674 120.570 -0.250 0.000 2.091 230 I HA -0.422 3.747 4.170 -0.001 0.000 0.240 230 I C 2.535 178.501 176.117 -0.252 0.000 1.046 230 I CA 2.117 63.196 61.300 -0.369 0.000 1.306 230 I CB -0.550 37.157 38.000 -0.490 0.000 1.018 230 I HN 0.313 nan 8.210 nan 0.000 0.404 231 K N 1.375 121.562 120.400 -0.355 0.000 2.009 231 K HA -0.255 4.065 4.320 -0.001 0.000 0.210 231 K C 1.800 178.332 176.600 -0.114 0.000 1.049 231 K CA 2.176 58.296 56.287 -0.278 0.000 0.929 231 K CB -0.402 31.841 32.500 -0.429 0.000 0.714 231 K HN 0.380 nan 8.250 nan 0.000 0.440 232 N N 0.538 119.170 118.700 -0.114 0.000 2.503 232 N HA -0.138 4.602 4.740 -0.001 0.000 0.189 232 N C 1.605 177.119 175.510 0.007 0.000 1.048 232 N CA 1.312 54.329 53.050 -0.056 0.000 0.905 232 N CB -0.051 38.390 38.487 -0.077 0.000 0.951 232 N HN 0.504 nan 8.380 nan 0.000 0.446 233 I N -5.682 114.939 120.570 0.084 0.000 4.557 233 I HA 0.232 4.401 4.170 -0.001 0.000 0.333 233 I C 0.047 176.334 176.117 0.284 0.000 1.332 233 I CA -0.163 61.242 61.300 0.175 0.000 1.240 233 I CB 0.298 38.432 38.000 0.222 0.000 1.312 233 I HN -0.214 nan 8.210 nan 0.000 0.457 234 F N 2.338 122.232 119.950 -0.093 0.000 2.496 234 F HA 0.675 5.202 4.527 -0.001 0.000 0.274 234 F C 1.190 176.933 175.800 -0.094 0.000 0.924 234 F CA 0.257 58.205 58.000 -0.087 0.000 1.147 234 F CB 0.267 39.206 39.000 -0.101 0.000 0.969 234 F HN 0.181 nan 8.300 nan 0.000 0.749 235 G N 0.619 109.476 108.800 0.094 0.000 2.576 235 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.686 235 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.686 235 G C 0.245 175.110 174.900 -0.059 0.000 1.242 235 G CA -0.167 44.930 45.100 -0.006 0.000 0.819 235 G HN 0.189 nan 8.290 nan 0.000 0.655 236 E N 0.114 120.263 120.200 -0.084 0.000 2.114 236 E HA -0.197 4.153 4.350 -0.001 0.000 0.199 236 E C 2.564 179.130 176.600 -0.056 0.000 1.008 236 E CA 2.204 58.547 56.400 -0.093 0.000 0.810 236 E CB -0.164 29.517 29.700 -0.031 0.000 0.739 236 E HN 0.524 nan 8.360 nan 0.000 0.456 237 S N -0.374 115.311 115.700 -0.026 0.000 2.407 237 S HA -0.198 4.271 4.470 -0.001 0.000 0.235 237 S C 1.887 176.475 174.600 -0.020 0.000 1.036 237 S CA 1.681 59.873 58.200 -0.013 0.000 1.013 237 S CB -0.365 62.833 63.200 -0.003 0.000 0.820 237 S HN 0.407 nan 8.310 nan 0.000 0.476 238 T N 1.976 116.514 114.554 -0.027 0.000 2.781 238 T HA 0.170 4.520 4.350 -0.001 0.000 0.252 238 T C 2.272 176.885 174.700 -0.146 0.000 1.039 238 T CA 0.857 62.931 62.100 -0.044 0.000 1.147 238 T CB -0.707 68.192 68.868 0.052 0.000 0.865 238 T HN 0.415 nan 8.240 nan 0.000 0.423 239 A N 2.588 125.265 122.820 -0.238 0.000 1.903 239 A HA -0.255 4.065 4.320 -0.001 0.000 0.219 239 A C 2.240 179.736 177.584 -0.147 0.000 1.191 239 A CA 1.713 53.513 52.037 -0.395 0.000 0.638 239 A CB -0.585 17.918 19.000 -0.829 0.000 0.823 239 A HN 0.274 nan 8.150 nan 0.000 0.451 240 K N -0.570 119.812 120.400 -0.031 0.000 2.089 240 K HA -0.196 4.123 4.320 -0.001 0.000 0.210 240 K C 1.916 178.523 176.600 0.012 0.000 1.048 240 K CA 1.332 57.658 56.287 0.064 0.000 0.926 240 K CB -0.484 32.036 32.500 0.034 0.000 0.714 240 K HN 0.440 nan 8.250 nan 0.000 0.448 241 R N 0.891 121.365 120.500 -0.044 0.000 2.228 241 R HA -0.162 4.177 4.340 -0.001 0.000 0.259 241 R C 2.398 178.669 176.300 -0.049 0.000 1.183 241 R CA 0.961 57.031 56.100 -0.051 0.000 1.002 241 R CB -1.015 29.237 30.300 -0.080 0.000 0.879 241 R HN 0.305 nan 8.270 nan 0.000 0.467 242 L N 0.578 121.722 121.223 -0.131 0.000 2.013 242 L HA -0.134 4.206 4.340 -0.001 0.000 0.212 242 L C 1.458 178.387 176.870 0.099 0.000 1.073 242 L CA 1.051 55.741 54.840 -0.249 0.000 0.753 242 L CB -0.413 41.431 42.059 -0.358 0.000 0.890 242 L HN 0.070 nan 8.230 nan 0.000 0.432 243 S N 0.109 115.850 115.700 0.068 0.000 2.533 243 S HA 0.065 4.534 4.470 -0.001 0.000 0.282 243 S C -1.256 173.310 174.600 -0.056 0.000 1.304 243 S CA -1.328 56.907 58.200 0.057 0.000 1.063 243 S CB 0.740 64.003 63.200 0.105 0.000 0.881 243 S HN 0.002 nan 8.310 nan 0.000 0.493 244 P HA -0.106 nan 4.420 nan 0.000 0.219 244 P C -0.106 177.013 177.300 -0.300 0.000 1.146 244 P CA 1.424 64.354 63.100 -0.282 0.000 0.808 244 P CB -0.330 31.132 31.700 -0.395 0.000 0.779 245 H N -1.507 117.528 119.070 -0.059 0.000 2.524 245 H HA 0.381 4.936 4.556 -0.001 0.000 0.299 245 H C 0.210 175.449 175.328 -0.149 0.000 1.074 245 H CA -0.722 55.199 56.048 -0.212 0.000 1.115 245 H CB -0.175 29.337 29.762 -0.418 0.000 1.522 245 H HN -0.253 nan 8.280 nan 0.000 0.543 246 R N 0.669 121.153 120.500 -0.026 0.000 3.591 246 R HA -0.182 4.158 4.340 -0.001 0.000 0.268 246 R C -0.409 175.890 176.300 -0.001 0.000 1.102 246 R CA 0.327 56.421 56.100 -0.009 0.000 0.732 246 R CB -1.454 28.832 30.300 -0.023 0.000 1.117 246 R HN 0.338 nan 8.270 nan 0.000 0.472 247 K N 0.018 120.435 120.400 0.029 0.000 2.221 247 K HA 0.647 4.967 4.320 -0.001 0.000 0.258 247 K C -0.463 176.210 176.600 0.122 0.000 0.944 247 K CA -0.319 55.929 56.287 -0.065 0.000 0.823 247 K CB 2.079 34.423 32.500 -0.260 0.000 1.113 247 K HN 0.076 nan 8.250 nan 0.000 0.431 248 T N 1.847 116.443 114.554 0.070 0.000 2.886 248 T HA 0.377 4.726 4.350 -0.001 0.000 0.330 248 T C -1.756 173.079 174.700 0.225 0.000 1.488 248 T CA -0.700 61.590 62.100 0.316 0.000 1.054 248 T CB 1.599 70.561 68.868 0.155 0.000 1.348 248 T HN 0.651 nan 8.240 nan 0.000 0.489 249 R N 2.619 123.276 120.500 0.262 0.000 2.564 249 R HA 0.719 5.059 4.340 -0.001 0.000 0.284 249 R C -0.951 175.349 176.300 0.000 0.000 1.031 249 R CA -0.522 55.669 56.100 0.153 0.000 0.904 249 R CB 1.251 31.734 30.300 0.306 0.000 1.199 249 R HN 0.472 nan 8.270 nan 0.000 0.443 250 V N 2.734 122.628 119.914 -0.033 0.000 3.596 250 V HA 0.477 4.596 4.120 -0.001 0.000 0.288 250 V C -0.201 175.864 176.094 -0.047 0.000 1.021 250 V CA -0.589 61.665 62.300 -0.077 0.000 1.020 250 V CB 1.116 32.910 31.823 -0.048 0.000 1.243 250 V HN 0.769 nan 8.190 nan 0.000 0.433 251 K N -0.044 120.325 120.400 -0.052 0.000 2.713 251 K HA 0.379 4.699 4.320 -0.001 0.000 0.304 251 K C -1.252 175.326 176.600 -0.037 0.000 1.240 251 K CA -0.086 56.176 56.287 -0.043 0.000 1.080 251 K CB 1.588 34.053 32.500 -0.057 0.000 1.387 251 K HN 0.398 nan 8.250 nan 0.000 0.527 252 V N 3.807 123.708 119.914 -0.022 0.000 3.051 252 V HA 0.337 4.456 4.120 -0.001 0.000 0.306 252 V C 0.605 176.691 176.094 -0.013 0.000 1.083 252 V CA -0.029 62.263 62.300 -0.013 0.000 1.104 252 V CB 1.045 32.867 31.823 -0.002 0.000 1.027 252 V HN 0.674 nan 8.190 nan 0.000 0.483 253 I N 1.572 122.142 120.570 -0.000 0.000 3.730 253 I HA 0.711 4.880 4.170 -0.001 0.000 0.273 253 I C -0.899 175.230 176.117 0.020 0.000 1.166 253 I CA -0.769 60.534 61.300 0.004 0.000 1.156 253 I CB 2.380 40.385 38.000 0.009 0.000 1.385 253 I HN 0.663 nan 8.210 nan 0.000 0.486 254 E N 1.468 121.681 120.200 0.022 0.000 2.363 254 E HA 0.528 4.877 4.350 -0.001 0.000 0.281 254 E C -1.519 175.066 176.600 -0.026 0.000 0.953 254 E CA -0.520 55.883 56.400 0.006 0.000 0.778 254 E CB 1.445 31.135 29.700 -0.017 0.000 1.220 254 E HN 0.599 nan 8.360 nan 0.000 0.431 255 N N 1.470 120.104 118.700 -0.110 0.000 3.514 255 N HA 0.078 4.818 4.740 -0.001 0.000 0.268 255 N C -1.334 173.863 175.510 -0.521 0.000 1.391 255 N CA -0.638 52.204 53.050 -0.347 0.000 0.821 255 N CB 0.488 38.702 38.487 -0.456 0.000 1.563 255 N HN 0.535 nan 8.380 nan 0.000 0.426 256 M N 2.773 121.922 119.600 -0.750 0.000 3.593 256 M HA 0.200 4.680 4.480 -0.001 0.000 0.204 256 M C -1.300 174.652 176.300 -0.580 0.000 1.569 256 M CA 0.901 55.878 55.300 -0.538 0.000 1.694 256 M CB -1.512 30.853 32.600 -0.391 0.000 1.149 256 M HN 0.556 nan 8.290 nan 0.000 0.552 257 Y N -0.636 119.635 120.300 -0.048 0.000 3.166 257 Y HA 0.587 5.137 4.550 -0.001 0.000 0.152 257 Y C 1.103 176.991 175.900 -0.020 0.000 0.984 257 Y CA -0.444 57.633 58.100 -0.037 0.000 1.848 257 Y CB -0.632 37.805 38.460 -0.039 0.000 1.348 257 Y HN 0.391 nan 8.280 nan 0.000 0.270 258 G N 0.497 109.408 108.800 0.185 0.000 2.255 258 G HA2 0.036 3.996 3.960 -0.001 0.000 0.216 258 G HA3 0.036 3.996 3.960 -0.001 0.000 0.216 258 G C -0.692 174.274 174.900 0.110 0.000 1.307 258 G CA -0.507 44.651 45.100 0.097 0.000 1.162 258 G HN 0.780 nan 8.290 nan 0.000 0.494 259 S N 0.889 116.629 115.700 0.067 0.000 3.042 259 S HA 0.165 4.635 4.470 -0.001 0.000 0.274 259 S C 0.535 175.160 174.600 0.041 0.000 0.852 259 S CA 0.632 58.860 58.200 0.046 0.000 1.921 259 S CB -0.588 62.632 63.200 0.032 0.000 1.412 259 S HN 0.646 nan 8.310 nan 0.000 0.654 260 R N 2.215 122.741 120.500 0.044 0.000 2.204 260 R HA 0.223 4.563 4.340 -0.001 0.000 0.341 260 R C -0.133 176.163 176.300 -0.006 0.000 1.035 260 R CA -0.195 55.914 56.100 0.017 0.000 0.887 260 R CB 0.639 30.948 30.300 0.014 0.000 1.114 260 R HN 0.644 nan 8.270 nan 0.000 0.473 261 E N 3.111 123.302 120.200 -0.015 0.000 2.331 261 E HA 0.277 4.626 4.350 -0.001 0.000 0.272 261 E C -0.236 176.332 176.600 -0.052 0.000 1.036 261 E CA -0.606 55.773 56.400 -0.034 0.000 0.864 261 E CB 1.059 30.737 29.700 -0.036 0.000 1.035 261 E HN 0.405 nan 8.360 nan 0.000 0.408 262 I N -0.714 119.812 120.570 -0.073 0.000 2.500 262 I HA 0.376 4.545 4.170 -0.001 0.000 0.286 262 I C -1.114 174.931 176.117 -0.120 0.000 1.063 262 I CA -0.841 60.407 61.300 -0.087 0.000 1.062 262 I CB 0.858 38.809 38.000 -0.081 0.000 1.223 262 I HN 0.251 nan 8.210 nan 0.000 0.435 263 I N 4.701 125.176 120.570 -0.159 0.000 2.532 263 I HA 0.497 4.667 4.170 -0.001 0.000 0.292 263 I C 0.682 176.697 176.117 -0.169 0.000 1.014 263 I CA 0.184 61.350 61.300 -0.223 0.000 1.340 263 I CB 1.740 39.499 38.000 -0.400 0.000 1.422 263 I HN 0.803 nan 8.210 nan 0.000 0.528 264 T N 4.498 118.947 114.554 -0.174 0.000 2.772 264 T HA 0.657 5.007 4.350 -0.001 0.000 0.288 264 T C -0.435 174.142 174.700 -0.206 0.000 0.994 264 T CA -0.714 61.259 62.100 -0.212 0.000 0.951 264 T CB 0.247 68.949 68.868 -0.276 0.000 0.933 264 T HN 0.266 nan 8.240 nan 0.000 0.447 265 L N 3.918 125.049 121.223 -0.153 0.000 2.268 265 L HA 0.397 4.736 4.340 -0.001 0.000 0.289 265 L C -0.115 176.725 176.870 -0.050 0.000 1.064 265 L CA -0.875 53.942 54.840 -0.038 0.000 0.824 265 L CB 0.013 42.093 42.059 0.034 0.000 1.202 265 L HN 0.634 nan 8.230 nan 0.000 0.433 266 F N 3.212 123.192 119.950 0.050 0.000 2.546 266 F HA 0.204 4.731 4.527 -0.001 0.000 0.388 266 F C 1.458 177.345 175.800 0.146 0.000 1.051 266 F CA 1.071 59.151 58.000 0.133 0.000 1.130 266 F CB 0.137 39.254 39.000 0.195 0.000 1.044 266 F HN 0.732 nan 8.300 nan 0.000 0.553 267 G N 3.874 112.840 108.800 0.275 0.000 2.165 267 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.226 267 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.226 267 G C -0.681 174.259 174.900 0.067 0.000 1.035 267 G CA -0.092 45.184 45.100 0.293 0.000 0.744 267 G HN 0.903 nan 8.290 nan 0.000 0.501 268 I N -0.892 119.696 120.570 0.031 0.000 2.637 268 I HA 0.651 4.821 4.170 -0.001 0.000 0.285 268 I C -0.350 175.760 176.117 -0.012 0.000 1.222 268 I CA -1.132 60.173 61.300 0.008 0.000 1.067 268 I CB 1.437 39.460 38.000 0.039 0.000 1.279 268 I HN 0.060 nan 8.210 nan 0.000 0.441 269 S N 6.183 121.866 115.700 -0.028 0.000 2.430 269 S HA 0.472 4.942 4.470 -0.001 0.000 0.282 269 S C -0.112 174.473 174.600 -0.025 0.000 1.186 269 S CA -0.455 57.714 58.200 -0.051 0.000 1.060 269 S CB 0.281 63.430 63.200 -0.085 0.000 0.966 269 S HN 0.467 nan 8.310 nan 0.000 0.501 270 V N 6.141 126.049 119.914 -0.010 0.000 2.370 270 V HA 0.453 4.573 4.120 -0.001 0.000 0.279 270 V C -0.053 176.067 176.094 0.043 0.000 1.029 270 V CA -0.700 61.620 62.300 0.033 0.000 0.870 270 V CB 0.483 32.332 31.823 0.044 0.000 0.984 270 V HN 0.767 nan 8.190 nan 0.000 0.451 271 L N 1.242 122.492 121.223 0.046 0.000 2.492 271 L HA 0.561 4.901 4.340 -0.001 0.000 0.259 271 L C -0.202 176.735 176.870 0.112 0.000 1.229 271 L CA -0.582 54.305 54.840 0.080 0.000 0.903 271 L CB 1.193 43.141 42.059 -0.185 0.000 1.114 271 L HN 0.407 nan 8.230 nan 0.000 0.494 272 D N 1.011 121.481 120.400 0.115 0.000 2.752 272 D HA -0.181 4.459 4.640 -0.001 0.000 0.225 272 D C 0.713 177.034 176.300 0.035 0.000 1.104 272 D CA 0.763 54.786 54.000 0.040 0.000 0.832 272 D CB 0.641 41.395 40.800 -0.077 0.000 1.161 272 D HN 0.577 nan 8.370 nan 0.000 0.505 273 Y N 3.838 124.138 120.300 -0.001 0.000 2.256 273 Y HA -0.188 4.362 4.550 -0.001 0.000 0.288 273 Y C 2.228 178.068 175.900 -0.101 0.000 1.155 273 Y CA 1.048 59.197 58.100 0.083 0.000 1.203 273 Y CB -0.051 38.586 38.460 0.295 0.000 0.980 273 Y HN 0.598 nan 8.280 nan 0.000 0.530 274 I N -0.573 119.734 120.570 -0.440 0.000 2.286 274 I HA -0.325 3.844 4.170 -0.001 0.000 0.248 274 I C 1.591 177.415 176.117 -0.488 0.000 1.115 274 I CA 1.776 62.577 61.300 -0.832 0.000 1.392 274 I CB -0.145 37.078 38.000 -1.295 0.000 1.065 274 I HN 0.180 nan 8.210 nan 0.000 0.418 275 D N 0.506 120.664 120.400 -0.404 0.000 2.091 275 D HA -0.148 4.492 4.640 -0.001 0.000 0.199 275 D C 2.109 178.229 176.300 -0.299 0.000 0.980 275 D CA 0.733 54.482 54.000 -0.419 0.000 0.831 275 D CB -0.498 39.915 40.800 -0.645 0.000 0.987 275 D HN 0.196 nan 8.370 nan 0.000 0.460 276 L N 0.790 121.882 121.223 -0.217 0.000 2.030 276 L HA -0.269 4.070 4.340 -0.001 0.000 0.222 276 L C 2.276 178.710 176.870 -0.726 0.000 1.082 276 L CA 1.761 56.284 54.840 -0.529 0.000 0.785 276 L CB -1.394 40.283 42.059 -0.636 0.000 0.895 276 L HN 0.113 nan 8.230 nan 0.000 0.439 277 Y N 0.326 120.330 120.300 -0.494 0.000 2.114 277 Y HA -0.262 4.288 4.550 -0.001 0.000 0.284 277 Y C 2.645 178.420 175.900 -0.208 0.000 1.143 277 Y CA 2.228 60.218 58.100 -0.183 0.000 1.135 277 Y CB -0.282 38.354 38.460 0.294 0.000 0.980 277 Y HN 0.184 nan 8.280 nan 0.000 0.499 278 K N -0.109 120.359 120.400 0.114 0.000 2.034 278 K HA -0.246 4.073 4.320 -0.001 0.000 0.214 278 K C 2.096 178.653 176.600 -0.072 0.000 1.051 278 K CA 1.941 58.232 56.287 0.006 0.000 0.931 278 K CB -0.166 32.163 32.500 -0.286 0.000 0.715 278 K HN 0.163 nan 8.250 nan 0.000 0.446 279 K N -0.241 120.006 120.400 -0.255 0.000 2.148 279 K HA -0.068 4.252 4.320 -0.001 0.000 0.204 279 K C 1.659 178.255 176.600 -0.007 0.000 1.050 279 K CA 1.097 57.259 56.287 -0.207 0.000 0.942 279 K CB 0.058 32.350 32.500 -0.347 0.000 0.724 279 K HN 0.132 nan 8.250 nan 0.000 0.446 280 F N 0.327 120.014 119.950 -0.438 0.000 2.678 280 F HA 0.103 4.629 4.527 -0.001 0.000 0.305 280 F C 2.121 177.658 175.800 -0.439 0.000 1.090 280 F CA -0.404 57.234 58.000 -0.603 0.000 1.272 280 F CB -0.853 37.408 39.000 -1.232 0.000 1.060 280 F HN -0.076 nan 8.300 nan 0.000 0.576 281 S N 0.457 116.104 115.700 -0.087 0.000 2.359 281 S HA -0.266 4.203 4.470 -0.001 0.000 0.222 281 S C 1.044 175.825 174.600 0.301 0.000 1.038 281 S CA 1.228 59.425 58.200 -0.005 0.000 1.051 281 S CB -0.736 62.491 63.200 0.044 0.000 0.944 281 S HN 0.204 nan 8.310 nan 0.000 0.433 282 F N 2.156 122.148 119.950 0.071 0.000 2.965 282 F HA -0.086 4.441 4.527 -0.001 0.000 0.287 282 F C 0.182 176.040 175.800 0.096 0.000 0.790 282 F CA 0.871 58.918 58.000 0.079 0.000 1.279 282 F CB -2.432 36.612 39.000 0.074 0.000 1.409 282 F HN 0.728 nan 8.300 nan 0.000 0.446 283 T N -2.202 112.523 114.554 0.285 0.000 3.933 283 T HA 0.273 4.623 4.350 -0.001 0.000 0.357 283 T C -0.575 174.245 174.700 0.199 0.000 1.077 283 T CA -0.827 61.402 62.100 0.216 0.000 1.082 283 T CB 1.702 70.718 68.868 0.246 0.000 1.158 283 T HN 0.355 nan 8.240 nan 0.000 0.472 284 N N 2.481 121.261 118.700 0.133 0.000 2.492 284 N HA 0.141 4.880 4.740 -0.001 0.000 0.260 284 N C -0.826 174.711 175.510 0.046 0.000 1.215 284 N CA 0.160 53.286 53.050 0.126 0.000 0.923 284 N CB 0.955 39.488 38.487 0.077 0.000 1.092 284 N HN 0.620 nan 8.380 nan 0.000 0.448 285 Q N 2.802 122.613 119.800 0.017 0.000 2.304 285 Q HA 0.427 4.767 4.340 -0.001 0.000 0.270 285 Q C -1.885 173.942 176.000 -0.287 0.000 1.035 285 Q CA -1.737 53.889 55.803 -0.295 0.000 0.781 285 Q CB 2.130 30.476 28.738 -0.653 0.000 1.261 285 Q HN 0.427 nan 8.270 nan 0.000 0.444 286 P HA -0.106 nan 4.420 nan 0.000 0.218 286 P C -0.478 176.835 177.300 0.021 0.000 1.146 286 P CA 0.931 64.031 63.100 0.000 0.000 0.813 286 P CB 0.436 32.158 31.700 0.037 0.000 0.778 287 S N -3.244 112.468 115.700 0.020 0.000 2.587 287 S HA 0.458 4.928 4.470 -0.001 0.000 0.269 287 S C -1.760 172.756 174.600 -0.140 0.000 1.154 287 S CA -0.618 57.620 58.200 0.063 0.000 0.824 287 S CB 0.269 63.513 63.200 0.073 0.000 1.118 287 S HN -0.157 nan 8.310 nan 0.000 0.462 288 Y N 1.905 122.309 120.300 0.174 0.000 2.578 288 Y HA 0.332 4.881 4.550 -0.001 0.000 0.317 288 Y C 0.873 176.959 175.900 0.311 0.000 0.940 288 Y CA -0.528 57.673 58.100 0.168 0.000 1.174 288 Y CB 0.527 39.008 38.460 0.034 0.000 1.198 288 Y HN 0.618 nan 8.280 nan 0.000 0.597 289 S N -0.798 115.107 115.700 0.342 0.000 2.632 289 S HA 0.160 4.630 4.470 -0.001 0.000 0.267 289 S C 1.102 175.810 174.600 0.179 0.000 1.276 289 S CA -0.722 57.646 58.200 0.281 0.000 0.998 289 S CB 1.396 64.682 63.200 0.143 0.000 0.953 289 S HN 0.384 nan 8.310 nan 0.000 0.547 290 L N 1.447 122.621 121.223 -0.081 0.000 1.994 290 L HA -0.065 4.274 4.340 -0.001 0.000 0.208 290 L C 1.821 178.461 176.870 -0.383 0.000 1.071 290 L CA 2.487 56.913 54.840 -0.691 0.000 0.745 290 L CB -1.808 39.711 42.059 -0.900 0.000 0.892 290 L HN 0.874 nan 8.230 nan 0.000 0.431 291 D N -1.305 118.989 120.400 -0.176 0.000 2.133 291 D HA -0.343 4.296 4.640 -0.001 0.000 0.192 291 D C 2.153 178.462 176.300 0.014 0.000 1.001 291 D CA 1.915 55.869 54.000 -0.076 0.000 0.844 291 D CB -1.243 39.550 40.800 -0.012 0.000 0.944 291 D HN 0.429 nan 8.370 nan 0.000 0.447 292 Y N 0.975 121.207 120.300 -0.115 0.000 2.062 292 Y HA -0.263 4.286 4.550 -0.001 0.000 0.276 292 Y C 2.161 178.002 175.900 -0.097 0.000 1.189 292 Y CA 0.957 58.992 58.100 -0.108 0.000 1.130 292 Y CB -0.824 37.556 38.460 -0.134 0.000 0.959 292 Y HN -0.034 nan 8.280 nan 0.000 0.499 293 I N 0.017 120.425 120.570 -0.271 0.000 2.162 293 I HA -0.274 3.896 4.170 -0.001 0.000 0.238 293 I C 2.673 178.782 176.117 -0.012 0.000 1.076 293 I CA 1.900 63.036 61.300 -0.272 0.000 1.353 293 I CB -1.122 36.692 38.000 -0.309 0.000 1.063 293 I HN 0.196 nan 8.210 nan 0.000 0.408 294 S N 0.038 115.684 115.700 -0.089 0.000 2.402 294 S HA -0.302 4.167 4.470 -0.001 0.000 0.233 294 S C 1.900 176.500 174.600 -0.001 0.000 1.030 294 S CA 1.559 59.722 58.200 -0.061 0.000 1.003 294 S CB -0.692 62.423 63.200 -0.142 0.000 0.813 294 S HN 0.541 nan 8.310 nan 0.000 0.477 295 E N 1.363 121.586 120.200 0.038 0.000 2.077 295 E HA -0.140 4.209 4.350 -0.001 0.000 0.193 295 E C 1.679 178.356 176.600 0.129 0.000 0.989 295 E CA 1.376 57.825 56.400 0.081 0.000 0.800 295 E CB -0.411 29.370 29.700 0.135 0.000 0.746 295 E HN 0.648 nan 8.360 nan 0.000 0.452 296 F N 0.624 120.555 119.950 -0.032 0.000 2.219 296 F HA 0.171 4.698 4.527 -0.001 0.000 0.294 296 F C 1.899 177.686 175.800 -0.022 0.000 1.086 296 F CA 0.859 58.843 58.000 -0.027 0.000 1.330 296 F CB -0.102 38.853 39.000 -0.074 0.000 1.047 296 F HN -0.083 nan 8.300 nan 0.000 0.495 297 E N 0.652 120.866 120.200 0.023 0.000 2.347 297 E HA -0.011 4.339 4.350 -0.001 0.000 0.196 297 E C 1.626 178.146 176.600 -0.132 0.000 1.008 297 E CA 1.063 57.392 56.400 -0.118 0.000 0.852 297 E CB 0.154 29.956 29.700 0.170 0.000 0.783 297 E HN 0.545 nan 8.360 nan 0.000 0.505 298 L N -1.243 119.927 121.223 -0.089 0.000 3.467 298 L HA 0.155 4.494 4.340 -0.001 0.000 0.315 298 L C 0.619 177.452 176.870 -0.062 0.000 1.184 298 L CA -0.142 54.649 54.840 -0.081 0.000 1.124 298 L CB 0.490 42.507 42.059 -0.070 0.000 1.585 298 L HN -0.136 nan 8.230 nan 0.000 0.617 299 N N -0.213 118.461 118.700 -0.044 0.000 2.631 299 N HA -0.230 4.510 4.740 -0.001 0.000 0.218 299 N C 1.484 176.990 175.510 -0.006 0.000 0.972 299 N CA 1.838 54.876 53.050 -0.020 0.000 1.918 299 N CB -0.974 37.491 38.487 -0.037 0.000 0.895 299 N HN 0.271 nan 8.380 nan 0.000 0.540 300 V N -2.865 117.043 119.914 -0.011 0.000 2.380 300 V HA 0.152 4.272 4.120 -0.001 0.000 0.251 300 V C 1.868 177.965 176.094 0.005 0.000 1.063 300 V CA 2.705 65.005 62.300 -0.000 0.000 1.055 300 V CB -1.293 30.533 31.823 0.005 0.000 0.657 300 V HN 0.955 nan 8.190 nan 0.000 0.455 301 G N 0.028 108.828 108.800 0.000 0.000 2.496 301 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.243 301 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.243 301 G C -0.244 174.651 174.900 -0.008 0.000 1.176 301 G CA 0.367 45.469 45.100 0.003 0.000 0.940 301 G HN 0.799 nan 8.290 nan 0.000 0.573 302 K N -0.920 119.486 120.400 0.009 0.000 2.444 302 K HA 0.628 4.948 4.320 -0.001 0.000 0.252 302 K C -0.918 175.734 176.600 0.088 0.000 0.993 302 K CA -1.058 55.247 56.287 0.029 0.000 0.847 302 K CB 1.987 34.504 32.500 0.027 0.000 1.340 302 K HN 0.743 nan 8.250 nan 0.000 0.446 303 L N 3.291 124.618 121.223 0.173 0.000 2.485 303 L HA 0.184 4.523 4.340 -0.001 0.000 0.279 303 L C -0.735 176.284 176.870 0.249 0.000 1.124 303 L CA 0.636 55.620 54.840 0.241 0.000 0.888 303 L CB -0.512 41.759 42.059 0.353 0.000 1.217 303 L HN 0.431 nan 8.230 nan 0.000 0.464 304 K N 5.174 125.635 120.400 0.102 0.000 2.107 304 K HA 0.550 4.870 4.320 -0.001 0.000 0.251 304 K C -1.039 175.593 176.600 0.053 0.000 1.012 304 K CA -0.196 56.074 56.287 -0.029 0.000 0.920 304 K CB 1.012 33.466 32.500 -0.076 0.000 1.033 304 K HN 0.644 nan 8.250 nan 0.000 0.478 305 Y N -2.394 117.894 120.300 -0.022 0.000 2.853 305 Y HA 0.444 4.994 4.550 -0.001 0.000 0.326 305 Y C -1.584 174.305 175.900 -0.019 0.000 1.384 305 Y CA -1.703 56.375 58.100 -0.036 0.000 1.077 305 Y CB 0.584 38.981 38.460 -0.104 0.000 1.395 305 Y HN 0.370 nan 8.280 nan 0.000 0.451 306 D N 0.415 121.053 120.400 0.397 0.000 2.181 306 D HA 0.528 5.168 4.640 -0.001 0.000 0.248 306 D C 0.505 176.993 176.300 0.313 0.000 1.020 306 D CA 1.268 55.423 54.000 0.258 0.000 0.891 306 D CB 1.480 42.359 40.800 0.131 0.000 1.187 306 D HN 1.102 nan 8.370 nan 0.000 0.443 307 G N 1.913 110.847 108.800 0.224 0.000 2.682 307 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.256 307 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.256 307 G C -2.378 172.686 174.900 0.272 0.000 1.333 307 G CA -1.049 44.162 45.100 0.185 0.000 0.904 307 G HN 0.456 nan 8.290 nan 0.000 0.569 308 P HA 0.222 nan 4.420 nan 0.000 0.272 308 P C 1.265 178.554 177.300 -0.020 0.000 1.230 308 P CA -0.627 62.550 63.100 0.128 0.000 0.788 308 P CB 0.534 32.262 31.700 0.046 0.000 0.949 309 I N 1.516 122.069 120.570 -0.029 0.000 3.059 309 I HA -0.128 4.042 4.170 -0.001 0.000 0.270 309 I C 1.443 177.481 176.117 -0.131 0.000 1.238 309 I CA 1.524 62.703 61.300 -0.201 0.000 1.478 309 I CB -0.746 37.232 38.000 -0.037 0.000 1.097 309 I HN 0.281 nan 8.210 nan 0.000 0.455 310 S N 0.900 116.524 115.700 -0.127 0.000 2.399 310 S HA -0.130 4.339 4.470 -0.001 0.000 0.231 310 S C 1.870 176.363 174.600 -0.179 0.000 1.022 310 S CA 0.588 58.691 58.200 -0.162 0.000 0.983 310 S CB -0.260 62.825 63.200 -0.192 0.000 0.803 310 S HN 0.353 nan 8.310 nan 0.000 0.480 311 K N 1.321 121.630 120.400 -0.153 0.000 2.021 311 K HA 0.170 4.489 4.320 -0.001 0.000 0.205 311 K C 2.140 178.627 176.600 -0.189 0.000 1.047 311 K CA 0.451 56.651 56.287 -0.144 0.000 0.943 311 K CB -1.084 31.363 32.500 -0.088 0.000 0.725 311 K HN 0.261 nan 8.250 nan 0.000 0.439 312 L N 1.698 122.775 121.223 -0.242 0.000 2.166 312 L HA -0.352 3.987 4.340 -0.001 0.000 0.228 312 L C 2.513 179.235 176.870 -0.245 0.000 1.101 312 L CA 2.098 56.781 54.840 -0.262 0.000 0.821 312 L CB -0.548 41.282 42.059 -0.381 0.000 0.908 312 L HN 0.311 nan 8.230 nan 0.000 0.447 313 R N -0.592 119.573 120.500 -0.559 0.000 2.052 313 R HA -0.153 4.187 4.340 -0.001 0.000 0.226 313 R C 2.217 178.355 176.300 -0.269 0.000 1.145 313 R CA 1.226 56.865 56.100 -0.767 0.000 0.952 313 R CB -0.401 29.077 30.300 -1.370 0.000 0.847 313 R HN 0.380 nan 8.270 nan 0.000 0.431 314 E N 0.616 120.677 120.200 -0.231 0.000 2.219 314 E HA -0.175 4.174 4.350 -0.001 0.000 0.198 314 E C 1.216 177.778 176.600 -0.064 0.000 0.998 314 E CA 1.800 58.137 56.400 -0.106 0.000 0.818 314 E CB 0.060 29.700 29.700 -0.100 0.000 0.741 314 E HN 0.485 nan 8.360 nan 0.000 0.477 315 S N -0.811 114.842 115.700 -0.077 0.000 2.512 315 S HA 0.096 4.565 4.470 -0.001 0.000 0.216 315 S C 0.678 175.274 174.600 -0.008 0.000 1.006 315 S CA -0.211 57.967 58.200 -0.037 0.000 0.915 315 S CB 0.434 63.608 63.200 -0.044 0.000 0.824 315 S HN 0.138 nan 8.310 nan 0.000 0.497 316 N N 0.870 119.569 118.700 -0.002 0.000 3.091 316 N HA -0.015 4.724 4.740 -0.001 0.000 0.185 316 N C 0.049 175.627 175.510 0.113 0.000 1.398 316 N CA -0.129 52.956 53.050 0.058 0.000 0.938 316 N CB -0.352 38.159 38.487 0.041 0.000 1.605 316 N HN 0.357 nan 8.380 nan 0.000 0.597 317 H N 0.466 119.557 119.070 0.035 0.000 2.518 317 H HA -0.127 4.428 4.556 -0.001 0.000 0.292 317 H C 1.129 176.613 175.328 0.260 0.000 1.068 317 H CA 1.809 57.911 56.048 0.091 0.000 1.275 317 H CB 0.712 30.517 29.762 0.072 0.000 1.375 317 H HN 0.469 nan 8.280 nan 0.000 0.563 318 Q N 1.593 121.595 119.800 0.337 0.000 1.889 318 Q HA -0.158 4.182 4.340 -0.001 0.000 0.211 318 Q C 2.691 178.916 176.000 0.376 0.000 0.988 318 Q CA 2.199 58.243 55.803 0.402 0.000 0.861 318 Q CB -0.606 28.278 28.738 0.244 0.000 0.922 318 Q HN 0.427 nan 8.270 nan 0.000 0.425 319 R N -1.246 119.400 120.500 0.243 0.000 2.119 319 R HA -0.251 4.089 4.340 -0.001 0.000 0.246 319 R C 2.323 178.740 176.300 0.194 0.000 1.146 319 R CA 1.753 57.982 56.100 0.215 0.000 0.962 319 R CB -0.768 29.616 30.300 0.140 0.000 0.863 319 R HN 0.442 nan 8.270 nan 0.000 0.442 320 Y N 0.581 120.864 120.300 -0.027 0.000 2.096 320 Y HA -0.313 4.237 4.550 -0.001 0.000 0.278 320 Y C 1.791 177.657 175.900 -0.057 0.000 1.192 320 Y CA 2.224 60.264 58.100 -0.099 0.000 1.143 320 Y CB -0.190 38.158 38.460 -0.186 0.000 0.963 320 Y HN 0.091 nan 8.280 nan 0.000 0.505 321 I N -0.838 119.688 120.570 -0.075 0.000 2.406 321 I HA -0.220 3.950 4.170 -0.001 0.000 0.249 321 I C 2.446 178.473 176.117 -0.151 0.000 1.122 321 I CA 1.385 62.493 61.300 -0.319 0.000 1.431 321 I CB -1.057 36.439 38.000 -0.840 0.000 1.087 321 I HN 0.056 nan 8.210 nan 0.000 0.424 322 S N 0.007 115.809 115.700 0.170 0.000 2.359 322 S HA -0.286 4.184 4.470 -0.001 0.000 0.223 322 S C 2.045 176.756 174.600 0.184 0.000 1.039 322 S CA 1.689 60.064 58.200 0.292 0.000 1.042 322 S CB -0.789 62.644 63.200 0.388 0.000 0.915 322 S HN 0.493 nan 8.310 nan 0.000 0.439 323 Y N 2.928 123.241 120.300 0.023 0.000 2.053 323 Y HA -0.273 4.276 4.550 -0.001 0.000 0.277 323 Y C 2.344 178.211 175.900 -0.056 0.000 1.159 323 Y CA 1.928 60.023 58.100 -0.010 0.000 1.125 323 Y CB -0.886 37.553 38.460 -0.035 0.000 0.969 323 Y HN 0.270 nan 8.280 nan 0.000 0.492 324 N N 0.158 118.847 118.700 -0.018 0.000 2.037 324 N HA -0.274 4.465 4.740 -0.001 0.000 0.196 324 N C 1.799 177.273 175.510 -0.061 0.000 1.034 324 N CA 2.448 55.415 53.050 -0.138 0.000 0.861 324 N CB -0.358 38.037 38.487 -0.153 0.000 1.039 324 N HN 0.495 nan 8.380 nan 0.000 0.427 325 I N 0.982 121.556 120.570 0.008 0.000 2.394 325 I HA -0.214 3.955 4.170 -0.001 0.000 0.251 325 I C 2.153 178.359 176.117 0.149 0.000 1.136 325 I CA 0.397 61.772 61.300 0.125 0.000 1.425 325 I CB -0.137 37.912 38.000 0.081 0.000 1.079 325 I HN 0.217 nan 8.210 nan 0.000 0.425 326 I N 0.875 121.488 120.570 0.070 0.000 2.142 326 I HA -0.269 3.900 4.170 -0.001 0.000 0.240 326 I C 2.175 178.331 176.117 0.064 0.000 1.078 326 I CA 1.755 63.108 61.300 0.089 0.000 1.343 326 I CB -1.138 36.898 38.000 0.060 0.000 1.046 326 I HN 0.250 nan 8.210 nan 0.000 0.405 327 D N 0.963 121.299 120.400 -0.107 0.000 2.095 327 D HA -0.150 4.490 4.640 -0.001 0.000 0.192 327 D C 2.394 178.650 176.300 -0.074 0.000 0.990 327 D CA 1.225 55.108 54.000 -0.195 0.000 0.836 327 D CB -0.680 39.895 40.800 -0.374 0.000 0.979 327 D HN 0.060 nan 8.370 nan 0.000 0.447 328 V N 0.555 120.472 119.914 0.005 0.000 2.233 328 V HA -0.336 3.783 4.120 -0.001 0.000 0.252 328 V C 2.289 178.465 176.094 0.138 0.000 1.063 328 V CA 2.123 64.463 62.300 0.067 0.000 1.032 328 V CB -0.814 31.087 31.823 0.129 0.000 0.645 328 V HN 0.251 nan 8.190 nan 0.000 0.446 329 Y N 0.995 121.402 120.300 0.179 0.000 2.224 329 Y HA -0.253 4.297 4.550 -0.001 0.000 0.289 329 Y C 2.593 178.512 175.900 0.031 0.000 1.146 329 Y CA 2.027 60.247 58.100 0.200 0.000 1.182 329 Y CB -0.317 38.282 38.460 0.232 0.000 0.983 329 Y HN 0.071 nan 8.280 nan 0.000 0.524 330 R N -0.036 120.436 120.500 -0.048 0.000 2.096 330 R HA -0.164 4.175 4.340 -0.001 0.000 0.240 330 R C 2.278 178.405 176.300 -0.289 0.000 1.139 330 R CA 1.898 57.875 56.100 -0.205 0.000 0.952 330 R CB -1.056 29.141 30.300 -0.171 0.000 0.854 330 R HN 0.347 nan 8.270 nan 0.000 0.436 331 V N 0.448 120.204 119.914 -0.264 0.000 2.343 331 V HA -0.240 3.880 4.120 -0.001 0.000 0.247 331 V C 2.250 178.131 176.094 -0.356 0.000 1.051 331 V CA 1.386 63.490 62.300 -0.327 0.000 1.036 331 V CB -0.511 31.159 31.823 -0.256 0.000 0.654 331 V HN 0.269 nan 8.190 nan 0.000 0.451 332 L N -0.268 120.797 121.223 -0.264 0.000 1.990 332 L HA -0.282 4.058 4.340 -0.001 0.000 0.213 332 L C 2.619 179.314 176.870 -0.291 0.000 1.072 332 L CA 2.250 56.961 54.840 -0.216 0.000 0.755 332 L CB -1.450 40.543 42.059 -0.110 0.000 0.889 332 L HN 0.442 nan 8.230 nan 0.000 0.432 333 Q N -0.574 118.943 119.800 -0.473 0.000 2.096 333 Q HA -0.248 4.092 4.340 -0.001 0.000 0.208 333 Q C 2.181 178.044 176.000 -0.228 0.000 0.993 333 Q CA 2.021 57.587 55.803 -0.394 0.000 0.862 333 Q CB -0.205 28.274 28.738 -0.431 0.000 0.915 333 Q HN 0.518 nan 8.270 nan 0.000 0.416 334 I N 0.315 120.757 120.570 -0.213 0.000 2.127 334 I HA -0.284 3.885 4.170 -0.001 0.000 0.241 334 I C 2.046 178.090 176.117 -0.122 0.000 1.075 334 I CA 1.549 62.773 61.300 -0.126 0.000 1.334 334 I CB -0.486 37.486 38.000 -0.046 0.000 1.040 334 I HN 0.258 nan 8.210 nan 0.000 0.405 335 D N 0.980 121.286 120.400 -0.157 0.000 2.190 335 D HA -0.199 4.440 4.640 -0.001 0.000 0.200 335 D C 2.142 178.408 176.300 -0.057 0.000 0.992 335 D CA 1.467 55.437 54.000 -0.051 0.000 0.854 335 D CB 0.117 40.897 40.800 -0.033 0.000 0.936 335 D HN 0.352 nan 8.370 nan 0.000 0.462 336 A N 0.730 123.507 122.820 -0.071 0.000 1.883 336 A HA -0.232 4.087 4.320 -0.001 0.000 0.217 336 A C 2.074 179.611 177.584 -0.079 0.000 1.186 336 A CA 2.346 54.354 52.037 -0.048 0.000 0.624 336 A CB -0.703 18.273 19.000 -0.039 0.000 0.822 336 A HN 0.424 nan 8.150 nan 0.000 0.444 337 K N -2.038 118.297 120.400 -0.107 0.000 2.296 337 K HA 0.032 4.352 4.320 -0.001 0.000 0.200 337 K C 1.637 178.117 176.600 -0.200 0.000 1.048 337 K CA 0.971 57.182 56.287 -0.128 0.000 0.966 337 K CB 0.109 32.541 32.500 -0.113 0.000 0.754 337 K HN 0.164 nan 8.250 nan 0.000 0.466 338 R N 0.035 120.356 120.500 -0.298 0.000 2.279 338 R HA 0.186 4.526 4.340 -0.001 0.000 0.195 338 R C 0.356 176.328 176.300 -0.547 0.000 0.905 338 R CA 0.282 56.016 56.100 -0.609 0.000 1.044 338 R CB 0.041 29.653 30.300 -1.147 0.000 1.056 338 R HN 0.281 nan 8.270 nan 0.000 0.535 339 Q N -0.730 118.914 119.800 -0.261 0.000 2.284 339 Q HA -0.220 4.120 4.340 -0.001 0.000 0.205 339 Q C 0.918 176.965 176.000 0.079 0.000 0.682 339 Q CA 0.955 56.711 55.803 -0.080 0.000 1.401 339 Q CB -1.715 26.970 28.738 -0.088 0.000 1.643 339 Q HN 0.188 nan 8.270 nan 0.000 0.717 340 F N -0.102 119.926 119.950 0.130 0.000 2.063 340 F HA -0.294 4.232 4.527 -0.001 0.000 0.297 340 F C 2.483 178.341 175.800 0.096 0.000 1.099 340 F CA 1.817 59.891 58.000 0.123 0.000 1.220 340 F CB -1.192 37.814 39.000 0.010 0.000 0.972 340 F HN 0.201 nan 8.300 nan 0.000 0.487 341 I N -0.112 120.666 120.570 0.346 0.000 2.076 341 I HA -0.371 3.799 4.170 -0.001 0.000 0.237 341 I C 2.272 178.441 176.117 0.086 0.000 1.059 341 I CA 2.086 63.505 61.300 0.198 0.000 1.317 341 I CB -0.760 37.378 38.000 0.229 0.000 1.037 341 I HN 0.133 nan 8.210 nan 0.000 0.398 342 N N 0.567 119.298 118.700 0.053 0.000 2.184 342 N HA -0.246 4.494 4.740 -0.001 0.000 0.190 342 N C 1.804 177.287 175.510 -0.044 0.000 1.011 342 N CA 1.117 54.133 53.050 -0.056 0.000 0.867 342 N CB -0.076 38.338 38.487 -0.121 0.000 0.993 342 N HN 0.340 nan 8.380 nan 0.000 0.433 343 L N -0.026 121.199 121.223 0.004 0.000 1.950 343 L HA -0.154 4.185 4.340 -0.001 0.000 0.210 343 L C 1.877 178.700 176.870 -0.079 0.000 1.079 343 L CA 1.697 56.513 54.840 -0.039 0.000 0.754 343 L CB -0.766 41.269 42.059 -0.040 0.000 0.889 343 L HN 0.231 nan 8.230 nan 0.000 0.433 344 S N 0.822 116.512 115.700 -0.016 0.000 2.448 344 S HA -0.238 4.232 4.470 -0.001 0.000 0.247 344 S C 1.860 176.384 174.600 -0.126 0.000 1.033 344 S CA 1.409 59.587 58.200 -0.037 0.000 1.003 344 S CB -0.771 62.426 63.200 -0.006 0.000 0.786 344 S HN 0.345 nan 8.310 nan 0.000 0.495 345 L N 2.023 123.142 121.223 -0.174 0.000 1.961 345 L HA -0.107 4.232 4.340 -0.001 0.000 0.210 345 L C 2.579 179.235 176.870 -0.356 0.000 1.072 345 L CA 2.161 56.825 54.840 -0.293 0.000 0.749 345 L CB -1.741 39.942 42.059 -0.627 0.000 0.889 345 L HN 0.294 nan 8.230 nan 0.000 0.432 346 D N -0.561 119.571 120.400 -0.446 0.000 2.133 346 D HA -0.287 4.353 4.640 -0.001 0.000 0.192 346 D C 2.348 178.645 176.300 -0.005 0.000 1.001 346 D CA 1.798 55.729 54.000 -0.115 0.000 0.844 346 D CB 0.031 40.881 40.800 0.083 0.000 0.944 346 D HN 0.185 nan 8.370 nan 0.000 0.447 347 M N -0.512 119.048 119.600 -0.066 0.000 2.091 347 M HA -0.044 4.435 4.480 -0.001 0.000 0.259 347 M C 2.261 178.549 176.300 -0.020 0.000 1.076 347 M CA 2.372 57.649 55.300 -0.038 0.000 1.111 347 M CB -0.631 31.907 32.600 -0.104 0.000 1.291 347 M HN 0.119 nan 8.290 nan 0.000 0.417 348 G N -1.366 107.362 108.800 -0.120 0.000 2.485 348 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.221 348 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.221 348 G C 1.042 175.804 174.900 -0.230 0.000 1.115 348 G CA 0.994 45.974 45.100 -0.201 0.000 0.751 348 G HN 0.531 nan 8.290 nan 0.000 0.567 349 Y N -1.354 118.900 120.300 -0.076 0.000 2.314 349 Y HA 0.014 4.564 4.550 -0.001 0.000 0.293 349 Y C 2.406 178.395 175.900 0.148 0.000 1.129 349 Y CA 0.861 58.968 58.100 0.013 0.000 1.201 349 Y CB -0.311 38.039 38.460 -0.183 0.000 0.999 349 Y HN 0.296 nan 8.280 nan 0.000 0.541 350 Y N -0.080 120.265 120.300 0.074 0.000 2.263 350 Y HA -0.031 4.519 4.550 -0.001 0.000 0.292 350 Y C 2.194 178.090 175.900 -0.006 0.000 1.130 350 Y CA 0.989 59.120 58.100 0.052 0.000 1.179 350 Y CB -0.516 37.950 38.460 0.010 0.000 0.998 350 Y HN -0.016 nan 8.280 nan 0.000 0.532 351 A N 0.082 122.860 122.820 -0.070 0.000 2.218 351 A HA 0.125 4.445 4.320 -0.001 0.000 0.209 351 A C 0.603 178.095 177.584 -0.154 0.000 1.168 351 A CA 0.444 52.350 52.037 -0.219 0.000 0.804 351 A CB -0.283 18.602 19.000 -0.192 0.000 0.834 351 A HN 0.292 nan 8.150 nan 0.000 0.482 352 K N -0.636 119.696 120.400 -0.113 0.000 3.150 352 K HA -0.198 4.122 4.320 -0.001 0.000 0.267 352 K C -0.152 176.306 176.600 -0.238 0.000 1.028 352 K CA 1.390 57.568 56.287 -0.182 0.000 0.753 352 K CB -2.989 29.412 32.500 -0.165 0.000 1.288 352 K HN 0.927 nan 8.250 nan 0.000 0.473 353 I N -3.583 116.877 120.570 -0.183 0.000 3.067 353 I HA 0.368 4.538 4.170 -0.001 0.000 0.312 353 I C 0.449 176.486 176.117 -0.132 0.000 1.073 353 I CA -1.335 59.861 61.300 -0.173 0.000 1.016 353 I CB 1.320 39.232 38.000 -0.147 0.000 1.227 353 I HN -0.045 nan 8.210 nan 0.000 0.456 354 Q N 1.721 121.444 119.800 -0.129 0.000 2.395 354 Q HA 0.154 4.494 4.340 -0.001 0.000 0.271 354 Q C 0.945 176.848 176.000 -0.160 0.000 1.026 354 Q CA -0.187 55.550 55.803 -0.110 0.000 0.900 354 Q CB 1.605 30.277 28.738 -0.110 0.000 1.266 354 Q HN 0.578 nan 8.270 nan 0.000 0.430 355 I N 1.793 122.247 120.570 -0.194 0.000 2.163 355 I HA -0.291 3.878 4.170 -0.001 0.000 0.240 355 I C 2.354 178.309 176.117 -0.269 0.000 1.081 355 I CA 1.347 62.499 61.300 -0.247 0.000 1.353 355 I CB -1.447 36.401 38.000 -0.254 0.000 1.054 355 I HN 0.690 nan 8.210 nan 0.000 0.407 356 Q N 1.237 120.896 119.800 -0.235 0.000 2.449 356 Q HA -0.158 4.181 4.340 -0.001 0.000 0.214 356 Q C 1.724 177.618 176.000 -0.176 0.000 0.986 356 Q CA 1.638 57.291 55.803 -0.250 0.000 0.893 356 Q CB -1.002 27.675 28.738 -0.101 0.000 0.940 356 Q HN 0.386 nan 8.270 nan 0.000 0.477 357 S N 0.327 115.939 115.700 -0.147 0.000 2.522 357 S HA 0.034 4.503 4.470 -0.001 0.000 0.227 357 S C 1.819 176.369 174.600 -0.085 0.000 0.986 357 S CA 0.387 58.537 58.200 -0.083 0.000 0.929 357 S CB 0.044 63.189 63.200 -0.092 0.000 0.769 357 S HN 0.224 nan 8.310 nan 0.000 0.529 358 V N 1.332 121.136 119.914 -0.183 0.000 2.469 358 V HA -0.173 3.946 4.120 -0.001 0.000 0.251 358 V C 1.800 177.868 176.094 -0.044 0.000 1.064 358 V CA 1.571 63.780 62.300 -0.152 0.000 1.066 358 V CB -0.711 30.976 31.823 -0.227 0.000 0.667 358 V HN 0.438 nan 8.190 nan 0.000 0.461 359 F N 0.620 120.514 119.950 -0.094 0.000 2.134 359 F HA -0.043 4.484 4.527 -0.001 0.000 0.299 359 F C 1.915 177.669 175.800 -0.077 0.000 1.097 359 F CA 1.177 59.104 58.000 -0.122 0.000 1.264 359 F CB -0.838 38.070 39.000 -0.155 0.000 1.001 359 F HN 0.175 nan 8.300 nan 0.000 0.479 360 S N 1.798 117.580 115.700 0.136 0.000 2.448 360 S HA 0.187 4.656 4.470 -0.001 0.000 0.279 360 S C -1.880 172.757 174.600 0.060 0.000 1.195 360 S CA -1.322 56.915 58.200 0.061 0.000 1.051 360 S CB 1.032 64.246 63.200 0.023 0.000 0.948 360 S HN -0.147 nan 8.310 nan 0.000 0.493 361 P HA 0.058 nan 4.420 nan 0.000 0.233 361 P C 0.931 178.287 177.300 0.093 0.000 1.167 361 P CA 0.141 63.317 63.100 0.126 0.000 0.770 361 P CB 0.097 31.895 31.700 0.163 0.000 0.837 362 I N -0.004 120.568 120.570 0.003 0.000 2.054 362 I HA -0.211 3.959 4.170 -0.001 0.000 0.231 362 I C 2.280 178.468 176.117 0.118 0.000 1.052 362 I CA 1.637 62.921 61.300 -0.027 0.000 1.320 362 I CB -1.087 36.959 38.000 0.077 0.000 1.063 362 I HN -0.223 nan 8.210 nan 0.000 0.393 363 K N 0.412 120.867 120.400 0.091 0.000 2.071 363 K HA -0.230 4.090 4.320 -0.001 0.000 0.217 363 K C 2.095 178.730 176.600 0.059 0.000 1.054 363 K CA 2.308 58.635 56.287 0.067 0.000 0.937 363 K CB -1.228 31.274 32.500 0.003 0.000 0.719 363 K HN 0.443 nan 8.250 nan 0.000 0.454 364 T N -0.358 114.211 114.554 0.026 0.000 2.529 364 T HA -0.203 4.147 4.350 -0.001 0.000 0.261 364 T C 1.816 176.518 174.700 0.003 0.000 1.110 364 T CA 1.969 64.040 62.100 -0.048 0.000 1.192 364 T CB -0.659 68.140 68.868 -0.114 0.000 0.864 364 T HN 0.434 nan 8.240 nan 0.000 0.407 365 W N 1.345 122.645 121.300 -0.000 0.000 2.350 365 W HA -0.126 4.533 4.660 -0.001 0.000 0.289 365 W C 2.478 179.081 176.519 0.140 0.000 1.215 365 W CA 0.863 58.226 57.345 0.030 0.000 1.236 365 W CB -0.318 29.116 29.460 -0.043 0.000 1.130 365 W HN 0.379 nan 8.180 nan 0.000 0.541 366 D N -0.047 120.659 120.400 0.509 0.000 2.078 366 D HA -0.200 4.439 4.640 -0.001 0.000 0.193 366 D C 2.201 178.704 176.300 0.339 0.000 0.990 366 D CA 2.324 56.651 54.000 0.544 0.000 0.827 366 D CB -0.792 40.319 40.800 0.519 0.000 0.975 366 D HN -0.012 nan 8.370 nan 0.000 0.451 367 A N 1.344 124.277 122.820 0.188 0.000 1.869 367 A HA -0.233 4.087 4.320 -0.001 0.000 0.218 367 A C 2.480 180.153 177.584 0.148 0.000 1.203 367 A CA 2.220 54.302 52.037 0.076 0.000 0.638 367 A CB -1.068 17.906 19.000 -0.042 0.000 0.831 367 A HN 0.415 nan 8.150 nan 0.000 0.450 368 I N -0.715 119.890 120.570 0.058 0.000 2.093 368 I HA -0.338 3.832 4.170 -0.001 0.000 0.239 368 I C 2.456 178.631 176.117 0.096 0.000 1.026 368 I CA 2.168 63.460 61.300 -0.014 0.000 1.295 368 I CB -1.386 36.584 38.000 -0.049 0.000 1.007 368 I HN 0.289 nan 8.210 nan 0.000 0.401 369 I N 0.500 121.174 120.570 0.173 0.000 2.076 369 I HA -0.343 3.826 4.170 -0.001 0.000 0.237 369 I C 2.536 178.727 176.117 0.123 0.000 1.059 369 I CA 1.609 62.965 61.300 0.092 0.000 1.317 369 I CB -0.850 37.098 38.000 -0.086 0.000 1.037 369 I HN 0.211 nan 8.210 nan 0.000 0.398 370 F N 1.714 121.709 119.950 0.075 0.000 2.082 370 F HA -0.394 4.132 4.527 -0.001 0.000 0.298 370 F C 2.346 178.166 175.800 0.033 0.000 1.091 370 F CA 2.270 60.315 58.000 0.074 0.000 1.230 370 F CB -0.724 38.323 39.000 0.079 0.000 0.983 370 F HN 0.176 nan 8.300 nan 0.000 0.485 371 N N -0.121 118.713 118.700 0.224 0.000 2.106 371 N HA -0.178 4.562 4.740 -0.001 0.000 0.188 371 N C 2.213 177.676 175.510 -0.078 0.000 1.029 371 N CA 1.468 54.554 53.050 0.061 0.000 0.848 371 N CB -0.682 37.932 38.487 0.212 0.000 1.007 371 N HN 0.424 nan 8.380 nan 0.000 0.423 372 S N 0.521 116.199 115.700 -0.037 0.000 2.382 372 S HA -0.054 4.416 4.470 -0.001 0.000 0.228 372 S C 1.892 176.448 174.600 -0.073 0.000 1.027 372 S CA 0.628 58.807 58.200 -0.035 0.000 0.991 372 S CB -0.084 63.110 63.200 -0.009 0.000 0.823 372 S HN 0.048 nan 8.310 nan 0.000 0.469 373 L N 2.420 123.569 121.223 -0.123 0.000 1.961 373 L HA 0.004 4.343 4.340 -0.001 0.000 0.210 373 L C 2.485 179.246 176.870 -0.183 0.000 1.072 373 L CA 1.864 56.619 54.840 -0.142 0.000 0.749 373 L CB -1.281 40.682 42.059 -0.159 0.000 0.889 373 L HN 0.263 nan 8.230 nan 0.000 0.432 374 K N 0.523 120.708 120.400 -0.360 0.000 2.097 374 K HA -0.262 4.057 4.320 -0.001 0.000 0.223 374 K C 0.684 177.212 176.600 -0.119 0.000 1.049 374 K CA 2.411 58.489 56.287 -0.348 0.000 0.956 374 K CB -0.346 31.834 32.500 -0.533 0.000 0.746 374 K HN 0.527 nan 8.250 nan 0.000 0.461 375 E N 0.654 120.809 120.200 -0.075 0.000 2.392 375 E HA 0.062 4.412 4.350 -0.001 0.000 0.307 375 E C 0.330 176.933 176.600 0.005 0.000 1.505 375 E CA 0.123 56.521 56.400 -0.004 0.000 1.716 375 E CB 0.624 30.339 29.700 0.025 0.000 1.450 375 E HN 0.327 nan 8.360 nan 0.000 0.484 376 Q N 0.521 120.324 119.800 0.005 0.000 1.818 376 Q HA 0.126 4.465 4.340 -0.001 0.000 0.183 376 Q C -0.629 175.403 176.000 0.052 0.000 0.734 376 Q CA -0.274 55.541 55.803 0.020 0.000 0.833 376 Q CB 0.490 29.231 28.738 0.004 0.000 1.217 376 Q HN 0.343 nan 8.270 nan 0.000 0.401 377 N N 1.917 120.654 118.700 0.061 0.000 2.746 377 N HA -0.118 4.621 4.740 -0.001 0.000 0.250 377 N C -1.287 174.311 175.510 0.147 0.000 1.055 377 N CA 1.017 54.159 53.050 0.155 0.000 0.699 377 N CB -0.479 38.060 38.487 0.086 0.000 0.919 377 N HN 0.125 nan 8.380 nan 0.000 0.548 378 K N 0.155 120.565 120.400 0.016 0.000 2.267 378 K HA 0.646 4.965 4.320 -0.001 0.000 0.246 378 K C 0.278 176.768 176.600 -0.184 0.000 0.954 378 K CA -0.751 55.531 56.287 -0.008 0.000 0.824 378 K CB 2.165 34.662 32.500 -0.006 0.000 1.167 378 K HN -0.064 nan 8.250 nan 0.000 0.431 379 V N 2.695 122.481 119.914 -0.213 0.000 2.547 379 V HA 0.456 4.576 4.120 -0.001 0.000 0.299 379 V C 0.495 176.488 176.094 -0.169 0.000 1.040 379 V CA -1.150 60.945 62.300 -0.342 0.000 0.913 379 V CB 1.510 33.032 31.823 -0.501 0.000 0.992 379 V HN 0.749 nan 8.190 nan 0.000 0.449 380 I N 2.265 122.761 120.570 -0.123 0.000 2.472 380 I HA 0.557 4.727 4.170 -0.001 0.000 0.290 380 I C -2.434 173.642 176.117 -0.069 0.000 1.016 380 I CA -2.170 59.112 61.300 -0.031 0.000 1.348 380 I CB 1.161 39.220 38.000 0.098 0.000 1.417 380 I HN 0.371 nan 8.210 nan 0.000 0.521 381 P HA -0.031 nan 4.420 nan 0.000 0.271 381 P C -1.094 176.153 177.300 -0.088 0.000 1.233 381 P CA -0.061 62.978 63.100 -0.102 0.000 0.795 381 P CB 0.372 31.953 31.700 -0.198 0.000 0.936 382 Q N -0.002 119.772 119.800 -0.042 0.000 2.185 382 Q HA 0.475 4.815 4.340 -0.001 0.000 0.225 382 Q C 0.083 176.048 176.000 -0.057 0.000 0.983 382 Q CA -0.831 54.958 55.803 -0.023 0.000 0.950 382 Q CB 0.259 29.002 28.738 0.008 0.000 1.176 382 Q HN 0.463 nan 8.270 nan 0.000 0.510 383 G N 1.597 110.378 108.800 -0.032 0.000 2.639 383 G HA2 0.206 4.166 3.960 -0.001 0.000 0.312 383 G HA3 0.206 4.166 3.960 -0.001 0.000 0.312 383 G C -0.690 174.192 174.900 -0.030 0.000 0.911 383 G CA -0.495 44.594 45.100 -0.018 0.000 1.410 383 G HN 0.500 nan 8.290 nan 0.000 0.469 384 R N 1.787 122.245 120.500 -0.070 0.000 2.357 384 R HA 0.367 4.706 4.340 -0.001 0.000 0.296 384 R C 0.711 176.807 176.300 -0.340 0.000 1.052 384 R CA -0.270 55.705 56.100 -0.208 0.000 0.988 384 R CB 0.735 30.886 30.300 -0.249 0.000 1.025 384 R HN 0.547 nan 8.270 nan 0.000 0.469 385 S N 2.606 118.072 115.700 -0.390 0.000 2.585 385 S HA 0.343 4.813 4.470 -0.001 0.000 0.277 385 S C -0.704 173.516 174.600 -0.633 0.000 1.241 385 S CA -0.585 57.350 58.200 -0.442 0.000 1.041 385 S CB 1.234 64.239 63.200 -0.324 0.000 0.987 385 S HN 0.711 nan 8.310 nan 0.000 0.512 386 H N 0.391 119.193 119.070 -0.446 0.000 2.908 386 H HA 0.725 5.281 4.556 -0.001 0.000 0.350 386 H C -2.538 172.583 175.328 -0.345 0.000 1.217 386 H CA -1.484 54.384 56.048 -0.301 0.000 1.168 386 H CB 0.955 30.600 29.762 -0.195 0.000 1.891 386 H HN 0.605 nan 8.280 nan 0.000 0.566 387 P HA 0.172 nan 4.420 nan 0.000 0.301 387 P C -0.727 176.533 177.300 -0.068 0.000 1.337 387 P CA -0.763 62.288 63.100 -0.082 0.000 0.889 387 P CB 1.689 33.369 31.700 -0.033 0.000 1.050 388 V N 2.254 122.122 119.914 -0.076 0.000 2.529 388 V HA -0.059 4.060 4.120 -0.001 0.000 0.249 388 V C 0.772 176.886 176.094 0.034 0.000 1.021 388 V CA 0.547 62.826 62.300 -0.034 0.000 1.203 388 V CB -1.756 30.062 31.823 -0.008 0.000 1.136 388 V HN 0.578 nan 8.190 nan 0.000 0.474 389 Q N 7.155 126.998 119.800 0.071 0.000 2.290 389 Q HA 0.413 4.753 4.340 -0.001 0.000 0.259 389 Q C -2.015 174.135 176.000 0.250 0.000 0.941 389 Q CA -2.107 53.769 55.803 0.122 0.000 0.912 389 Q CB 1.741 30.535 28.738 0.093 0.000 1.244 389 Q HN 0.338 nan 8.270 nan 0.000 0.441 390 P HA -0.094 nan 4.420 nan 0.000 0.301 390 P C -1.005 176.408 177.300 0.189 0.000 1.445 390 P CA 0.301 63.502 63.100 0.168 0.000 0.741 390 P CB -0.895 30.856 31.700 0.086 0.000 1.426 391 Y N -0.465 119.863 120.300 0.046 0.000 2.812 391 Y HA 0.097 4.646 4.550 -0.001 0.000 0.348 391 Y C -1.512 174.425 175.900 0.062 0.000 1.274 391 Y CA -3.549 54.577 58.100 0.043 0.000 1.489 391 Y CB -2.006 36.476 38.460 0.037 0.000 1.348 391 Y HN 0.032 nan 8.280 nan 0.000 0.646 392 P HA 0.207 nan 4.420 nan 0.000 0.273 392 P C 0.032 177.199 177.300 -0.222 0.000 1.252 392 P CA 0.540 63.581 63.100 -0.099 0.000 0.809 392 P CB 0.561 32.271 31.700 0.016 0.000 1.017 393 G N -1.332 107.425 108.800 -0.072 0.000 3.377 393 G HA2 0.600 4.560 3.960 -0.001 0.000 0.182 393 G HA3 0.600 4.560 3.960 -0.001 0.000 0.182 393 G C -1.025 173.931 174.900 0.093 0.000 1.166 393 G CA 0.056 45.145 45.100 -0.020 0.000 0.771 393 G HN 0.728 nan 8.290 nan 0.000 0.701 394 A N -0.747 122.134 122.820 0.103 0.000 2.282 394 A HA 0.664 4.983 4.320 -0.001 0.000 0.319 394 A C -1.168 176.509 177.584 0.156 0.000 1.121 394 A CA -0.529 51.591 52.037 0.138 0.000 0.836 394 A CB 0.970 20.006 19.000 0.060 0.000 1.146 394 A HN 0.770 nan 8.150 nan 0.000 0.494 395 F N 2.185 122.152 119.950 0.029 0.000 2.420 395 F HA 0.535 5.062 4.527 -0.001 0.000 0.352 395 F C -0.525 175.252 175.800 -0.039 0.000 1.108 395 F CA -0.695 57.308 58.000 0.004 0.000 1.162 395 F CB 0.989 39.997 39.000 0.014 0.000 1.118 395 F HN 0.194 nan 8.300 nan 0.000 0.510 396 V N 6.999 126.353 119.914 -0.933 0.000 2.447 396 V HA 0.239 4.358 4.120 -0.001 0.000 0.292 396 V C -0.260 175.185 176.094 -1.083 0.000 1.021 396 V CA -1.256 60.492 62.300 -0.919 0.000 0.850 396 V CB 1.328 32.945 31.823 -0.343 0.000 1.005 396 V HN 0.731 nan 8.190 nan 0.000 0.426 397 K N 2.935 122.550 120.400 -1.309 0.000 2.350 397 K HA 0.233 4.553 4.320 -0.001 0.000 0.279 397 K C 0.149 176.643 176.600 -0.177 0.000 1.027 397 K CA -0.284 55.655 56.287 -0.579 0.000 0.969 397 K CB 0.879 33.179 32.500 -0.333 0.000 0.954 397 K HN 0.787 nan 8.250 nan 0.000 0.474 398 E N 6.289 126.489 120.200 0.001 0.000 2.223 398 E HA 0.176 4.525 4.350 -0.001 0.000 0.282 398 E C -2.335 174.312 176.600 0.079 0.000 1.046 398 E CA -1.839 54.605 56.400 0.073 0.000 0.857 398 E CB 0.842 30.586 29.700 0.073 0.000 1.055 398 E HN 0.304 nan 8.360 nan 0.000 0.409 399 P HA 0.316 nan 4.420 nan 0.000 0.287 399 P C -0.451 176.861 177.300 0.021 0.000 1.279 399 P CA -0.598 62.500 63.100 -0.003 0.000 0.867 399 P CB 1.089 32.709 31.700 -0.134 0.000 1.127 400 I N 2.764 123.349 120.570 0.025 0.000 2.496 400 I HA 0.119 4.289 4.170 -0.001 0.000 0.285 400 I C -1.959 174.274 176.117 0.195 0.000 1.080 400 I CA -2.022 59.346 61.300 0.114 0.000 1.404 400 I CB 0.565 38.650 38.000 0.142 0.000 1.403 400 I HN 0.105 nan 8.210 nan 0.000 0.539 401 P HA 0.131 nan 4.420 nan 0.000 0.264 401 P C -0.719 176.721 177.300 0.234 0.000 1.236 401 P CA 0.430 63.662 63.100 0.220 0.000 0.811 401 P CB 0.268 32.054 31.700 0.143 0.000 0.840 402 N N 1.456 120.374 118.700 0.364 0.000 3.395 402 N HA 0.294 5.034 4.740 -0.001 0.000 0.293 402 N C -1.641 174.003 175.510 0.222 0.000 1.489 402 N CA -0.865 52.291 53.050 0.176 0.000 0.871 402 N CB 1.073 39.515 38.487 -0.074 0.000 1.649 402 N HN 0.107 nan 8.380 nan 0.000 0.501 403 R N 0.547 120.944 120.500 -0.172 0.000 2.514 403 R HA 0.544 4.884 4.340 -0.001 0.000 0.301 403 R C -1.452 174.542 176.300 -0.510 0.000 0.962 403 R CA -0.449 55.614 56.100 -0.061 0.000 0.882 403 R CB 1.006 31.296 30.300 -0.016 0.000 1.143 403 R HN 0.495 nan 8.270 nan 0.000 0.452 404 Y N 2.248 122.668 120.300 0.200 0.000 2.349 404 Y HA 0.312 4.861 4.550 -0.001 0.000 0.324 404 Y C 0.809 176.758 175.900 0.081 0.000 1.005 404 Y CA -1.031 57.154 58.100 0.142 0.000 1.240 404 Y CB 2.016 40.583 38.460 0.179 0.000 1.117 404 Y HN 0.558 nan 8.280 nan 0.000 0.463 405 K N 1.703 122.131 120.400 0.047 0.000 1.991 405 K HA -0.119 4.200 4.320 -0.001 0.000 0.212 405 K C -0.479 175.923 176.600 -0.330 0.000 1.049 405 K CA 1.523 57.702 56.287 -0.180 0.000 0.932 405 K CB -0.057 32.263 32.500 -0.300 0.000 0.717 405 K HN 0.443 nan 8.250 nan 0.000 0.441 406 Y N 0.112 120.444 120.300 0.053 0.000 2.341 406 Y HA 0.332 4.881 4.550 -0.001 0.000 0.337 406 Y C -0.170 175.778 175.900 0.081 0.000 1.014 406 Y CA -0.954 57.144 58.100 -0.004 0.000 1.111 406 Y CB 1.742 40.083 38.460 -0.198 0.000 1.194 406 Y HN -0.246 nan 8.280 nan 0.000 0.462 407 V N 3.027 123.087 119.914 0.243 0.000 3.120 407 V HA 0.655 4.775 4.120 -0.001 0.000 0.303 407 V C -0.767 175.437 176.094 0.183 0.000 1.238 407 V CA -1.388 61.042 62.300 0.217 0.000 1.008 407 V CB 2.138 34.122 31.823 0.268 0.000 1.064 407 V HN 0.713 nan 8.190 nan 0.000 0.434 408 M N 1.097 120.790 119.600 0.156 0.000 2.294 408 M HA 0.790 5.269 4.480 -0.001 0.000 0.280 408 M C -0.620 175.692 176.300 0.021 0.000 1.085 408 M CA -0.393 54.942 55.300 0.058 0.000 0.969 408 M CB 2.114 34.711 32.600 -0.005 0.000 1.770 408 M HN 0.751 nan 8.290 nan 0.000 0.485 409 S N 1.724 117.312 115.700 -0.188 0.000 2.722 409 S HA 0.941 5.411 4.470 -0.001 0.000 0.292 409 S C -1.020 173.267 174.600 -0.521 0.000 1.135 409 S CA -0.479 57.505 58.200 -0.360 0.000 1.003 409 S CB 1.313 64.080 63.200 -0.722 0.000 1.067 409 S HN 0.599 nan 8.310 nan 0.000 0.546 410 F N -0.358 119.418 119.950 -0.289 0.000 2.591 410 F HA 0.523 5.050 4.527 -0.001 0.000 0.309 410 F C -0.673 175.061 175.800 -0.111 0.000 1.098 410 F CA -0.753 57.165 58.000 -0.135 0.000 0.937 410 F CB 2.275 41.224 39.000 -0.086 0.000 1.250 410 F HN 0.588 nan 8.300 nan 0.000 0.447 411 D N 1.805 122.284 120.400 0.132 0.000 2.629 411 D HA 0.409 5.048 4.640 -0.001 0.000 0.250 411 D C -1.311 175.075 176.300 0.144 0.000 1.126 411 D CA -0.362 53.698 54.000 0.101 0.000 0.852 411 D CB 1.727 42.558 40.800 0.051 0.000 1.335 411 D HN 0.202 nan 8.370 nan 0.000 0.518 412 L N 3.186 124.492 121.223 0.139 0.000 2.418 412 L HA 0.239 4.578 4.340 -0.001 0.000 0.274 412 L C 0.397 177.329 176.870 0.103 0.000 1.135 412 L CA 0.138 55.066 54.840 0.146 0.000 0.870 412 L CB 0.159 42.289 42.059 0.119 0.000 1.154 412 L HN 0.553 nan 8.230 nan 0.000 0.462 413 T N 0.507 115.145 114.554 0.140 0.000 2.799 413 T HA 0.253 4.602 4.350 -0.001 0.000 0.296 413 T C 1.194 175.951 174.700 0.095 0.000 0.947 413 T CA 0.103 62.285 62.100 0.136 0.000 1.141 413 T CB 0.205 69.208 68.868 0.224 0.000 0.891 413 T HN 0.784 nan 8.240 nan 0.000 0.533 414 S N 1.592 117.325 115.700 0.055 0.000 2.443 414 S HA -0.372 4.098 4.470 -0.001 0.000 0.241 414 S C 1.087 175.673 174.600 -0.024 0.000 1.257 414 S CA 1.006 59.222 58.200 0.028 0.000 1.628 414 S CB -2.022 61.242 63.200 0.106 0.000 2.116 414 S HN 1.371 nan 8.310 nan 0.000 0.638 415 L N -0.119 121.085 121.223 -0.032 0.000 3.767 415 L HA -0.385 3.955 4.340 -0.001 0.000 0.053 415 L C 1.786 178.689 176.870 0.056 0.000 4.094 415 L CA 3.118 57.936 54.840 -0.037 0.000 0.974 415 L CB -1.993 40.015 42.059 -0.085 0.000 3.354 415 L HN 0.452 nan 8.230 nan 0.000 0.769 416 Y N 0.861 121.073 120.300 -0.147 0.000 2.030 416 Y HA -0.206 4.344 4.550 -0.001 0.000 0.272 416 Y C -0.145 175.685 175.900 -0.116 0.000 1.185 416 Y CA 2.136 60.143 58.100 -0.155 0.000 1.120 416 Y CB -2.740 35.595 38.460 -0.208 0.000 0.955 416 Y HN 0.490 nan 8.280 nan 0.000 0.495 417 P HA -0.089 nan 4.420 nan 0.000 0.218 417 P C 1.520 178.790 177.300 -0.049 0.000 1.149 417 P CA 1.993 65.115 63.100 0.037 0.000 0.817 417 P CB -0.005 31.756 31.700 0.101 0.000 0.785 418 S N 0.789 116.449 115.700 -0.067 0.000 2.345 418 S HA -0.110 4.360 4.470 -0.001 0.000 0.220 418 S C 2.163 176.588 174.600 -0.292 0.000 1.031 418 S CA 0.900 58.997 58.200 -0.172 0.000 0.996 418 S CB -1.227 61.870 63.200 -0.171 0.000 0.882 418 S HN 0.071 nan 8.310 nan 0.000 0.445 419 I N 2.110 122.480 120.570 -0.333 0.000 2.068 419 I HA -0.271 3.899 4.170 -0.001 0.000 0.238 419 I C 2.283 178.137 176.117 -0.437 0.000 1.046 419 I CA 1.686 62.661 61.300 -0.542 0.000 1.306 419 I CB -0.675 37.024 38.000 -0.502 0.000 1.023 419 I HN 0.256 nan 8.210 nan 0.000 0.399 420 I N 0.173 120.565 120.570 -0.297 0.000 2.227 420 I HA -0.386 3.783 4.170 -0.001 0.000 0.250 420 I C 2.552 178.511 176.117 -0.263 0.000 1.087 420 I CA 1.738 62.881 61.300 -0.262 0.000 1.352 420 I CB -0.582 37.310 38.000 -0.180 0.000 1.043 420 I HN 0.342 nan 8.210 nan 0.000 0.425 421 R N -0.187 120.169 120.500 -0.241 0.000 2.189 421 R HA -0.066 4.274 4.340 -0.001 0.000 0.203 421 R C 2.197 178.364 176.300 -0.222 0.000 1.012 421 R CA 0.412 56.385 56.100 -0.211 0.000 1.015 421 R CB -0.129 30.059 30.300 -0.186 0.000 0.938 421 R HN 0.384 nan 8.270 nan 0.000 0.472 422 Q N 0.738 120.366 119.800 -0.287 0.000 2.172 422 Q HA -0.072 4.268 4.340 -0.001 0.000 0.200 422 Q C 1.546 177.414 176.000 -0.220 0.000 0.964 422 Q CA 1.245 56.881 55.803 -0.278 0.000 0.855 422 Q CB 0.419 28.912 28.738 -0.410 0.000 0.918 422 Q HN 0.130 nan 8.270 nan 0.000 0.444 423 V N 0.200 119.954 119.914 -0.268 0.000 2.825 423 V HA 0.032 4.152 4.120 -0.001 0.000 0.246 423 V C 0.543 176.513 176.094 -0.208 0.000 1.068 423 V CA 0.749 62.935 62.300 -0.189 0.000 1.088 423 V CB -0.501 31.194 31.823 -0.212 0.000 0.733 423 V HN 0.641 nan 8.190 nan 0.000 0.468 424 N N -0.086 118.451 118.700 -0.272 0.000 2.862 424 N HA -0.180 4.560 4.740 -0.001 0.000 0.246 424 N C -0.365 174.863 175.510 -0.470 0.000 1.101 424 N CA 0.189 53.095 53.050 -0.240 0.000 0.679 424 N CB -1.612 36.822 38.487 -0.089 0.000 0.986 424 N HN 0.517 nan 8.380 nan 0.000 0.557 425 I N 0.399 120.596 120.570 -0.622 0.000 2.268 425 I HA 0.082 4.251 4.170 -0.001 0.000 0.298 425 I C 0.860 176.720 176.117 -0.429 0.000 1.185 425 I CA 0.077 60.840 61.300 -0.896 0.000 1.548 425 I CB -0.142 37.470 38.000 -0.647 0.000 1.492 425 I HN 0.271 nan 8.210 nan 0.000 0.711 426 S N 6.020 121.567 115.700 -0.255 0.000 2.704 426 S HA 0.555 5.025 4.470 -0.001 0.000 0.305 426 S C -1.611 173.032 174.600 0.072 0.000 1.107 426 S CA -1.568 56.589 58.200 -0.072 0.000 0.993 426 S CB 1.647 64.821 63.200 -0.044 0.000 1.110 426 S HN 0.317 nan 8.310 nan 0.000 0.534 427 P HA 0.056 nan 4.420 nan 0.000 0.235 427 P C 0.592 178.059 177.300 0.278 0.000 1.177 427 P CA 0.503 63.700 63.100 0.162 0.000 0.785 427 P CB 0.122 31.888 31.700 0.110 0.000 0.885 428 E N 0.625 120.967 120.200 0.236 0.000 2.474 428 E HA -0.004 4.345 4.350 -0.001 0.000 0.195 428 E C 1.057 177.853 176.600 0.327 0.000 1.039 428 E CA 0.796 57.434 56.400 0.396 0.000 0.881 428 E CB -1.025 28.671 29.700 -0.005 0.000 0.970 428 E HN 0.193 nan 8.360 nan 0.000 0.486 429 T N -0.851 113.895 114.554 0.320 0.000 3.086 429 T HA 0.170 4.520 4.350 -0.001 0.000 0.250 429 T C 0.896 176.000 174.700 0.673 0.000 1.074 429 T CA -0.474 61.905 62.100 0.465 0.000 0.988 429 T CB -0.635 68.434 68.868 0.335 0.000 0.988 429 T HN 0.101 nan 8.240 nan 0.000 0.530 430 I N 2.582 123.441 120.570 0.481 0.000 2.872 430 I HA 0.341 4.510 4.170 -0.001 0.000 0.287 430 I C 1.157 177.304 176.117 0.050 0.000 1.197 430 I CA -0.691 60.724 61.300 0.192 0.000 1.390 430 I CB -0.421 37.650 38.000 0.119 0.000 1.400 430 I HN 0.272 nan 8.210 nan 0.000 0.544 431 A N 5.583 128.233 122.820 -0.283 0.000 1.843 431 A HA 0.553 4.872 4.320 -0.001 0.000 0.213 431 A C 1.522 178.823 177.584 -0.472 0.000 1.239 431 A CA 1.182 52.893 52.037 -0.544 0.000 0.606 431 A CB -0.940 17.686 19.000 -0.624 0.000 0.903 431 A HN 0.845 nan 8.150 nan 0.000 0.455 432 G N -3.288 105.211 108.800 -0.501 0.000 3.246 432 G HA2 0.469 4.428 3.960 -0.001 0.000 0.160 432 G HA3 0.469 4.428 3.960 -0.001 0.000 0.160 432 G C -0.093 174.624 174.900 -0.305 0.000 1.458 432 G CA 1.100 45.975 45.100 -0.375 0.000 1.139 432 G HN 1.092 nan 8.290 nan 0.000 0.750 433 T N -1.368 113.032 114.554 -0.257 0.000 2.630 433 T HA 0.472 4.821 4.350 -0.001 0.000 0.283 433 T C -2.222 172.449 174.700 -0.047 0.000 1.906 433 T CA 0.110 62.065 62.100 -0.242 0.000 0.971 433 T CB 0.142 68.862 68.868 -0.248 0.000 2.057 433 T HN 1.619 nan 8.240 nan 0.000 0.492 434 F N -0.462 119.392 119.950 -0.161 0.000 2.770 434 F HA 0.735 5.261 4.527 -0.001 0.000 0.313 434 F C -1.107 174.652 175.800 -0.068 0.000 1.154 434 F CA -1.385 56.547 58.000 -0.113 0.000 0.923 434 F CB 0.884 39.820 39.000 -0.107 0.000 1.301 434 F HN 0.535 nan 8.300 nan 0.000 0.449 435 K N 1.589 122.103 120.400 0.191 0.000 2.368 435 K HA 0.506 4.826 4.320 -0.001 0.000 0.282 435 K C -1.018 175.717 176.600 0.225 0.000 1.035 435 K CA -0.526 55.825 56.287 0.107 0.000 0.973 435 K CB 1.727 34.282 32.500 0.092 0.000 0.957 435 K HN 0.588 nan 8.250 nan 0.000 0.474 436 V N 2.855 122.828 119.914 0.099 0.000 2.495 436 V HA 0.562 4.681 4.120 -0.001 0.000 0.298 436 V C -0.387 175.846 176.094 0.232 0.000 1.031 436 V CA -0.498 61.925 62.300 0.206 0.000 0.871 436 V CB 1.444 33.224 31.823 -0.071 0.000 0.988 436 V HN 0.949 nan 8.190 nan 0.000 0.432 437 A N 7.689 130.722 122.820 0.355 0.000 2.267 437 A HA 0.788 5.107 4.320 -0.001 0.000 0.271 437 A C -2.493 175.222 177.584 0.219 0.000 1.131 437 A CA -1.347 50.762 52.037 0.120 0.000 0.818 437 A CB -0.203 18.633 19.000 -0.273 0.000 1.118 437 A HN 0.764 nan 8.150 nan 0.000 0.501 438 P HA 0.145 nan 4.420 nan 0.000 0.271 438 P C 0.797 178.236 177.300 0.232 0.000 1.218 438 P CA -0.333 62.854 63.100 0.145 0.000 0.780 438 P CB 0.527 32.300 31.700 0.122 0.000 0.901 439 L N 3.127 124.480 121.223 0.217 0.000 2.079 439 L HA -0.230 4.109 4.340 -0.001 0.000 0.210 439 L C 2.375 179.330 176.870 0.142 0.000 1.081 439 L CA 1.768 56.745 54.840 0.228 0.000 0.752 439 L CB -0.958 41.142 42.059 0.067 0.000 0.896 439 L HN 0.538 nan 8.230 nan 0.000 0.433 440 H N -0.311 118.806 119.070 0.078 0.000 2.292 440 H HA -0.262 4.294 4.556 -0.001 0.000 0.292 440 H C 1.671 177.032 175.328 0.055 0.000 1.100 440 H CA 2.397 58.468 56.048 0.039 0.000 1.238 440 H CB -0.261 29.507 29.762 0.010 0.000 1.355 440 H HN 0.413 nan 8.280 nan 0.000 0.484 441 D N -0.024 120.253 120.400 -0.204 0.000 2.158 441 D HA -0.167 4.473 4.640 -0.001 0.000 0.197 441 D C 2.220 178.393 176.300 -0.213 0.000 0.995 441 D CA 1.238 55.107 54.000 -0.218 0.000 0.846 441 D CB -0.687 40.021 40.800 -0.153 0.000 0.941 441 D HN 0.488 nan 8.370 nan 0.000 0.456 442 Y N 1.157 121.422 120.300 -0.059 0.000 2.181 442 Y HA -0.114 4.435 4.550 -0.001 0.000 0.288 442 Y C 2.401 178.388 175.900 0.145 0.000 1.146 442 Y CA 0.820 58.939 58.100 0.031 0.000 1.164 442 Y CB -0.554 37.864 38.460 -0.070 0.000 0.982 442 Y HN 0.082 nan 8.280 nan 0.000 0.515 443 I N -1.383 119.286 120.570 0.165 0.000 2.916 443 I HA -0.185 3.984 4.170 -0.001 0.000 0.267 443 I C 0.661 176.825 176.117 0.078 0.000 1.263 443 I CA 1.653 63.095 61.300 0.237 0.000 1.471 443 I CB -0.424 37.629 38.000 0.088 0.000 1.089 443 I HN 0.288 nan 8.210 nan 0.000 0.468 444 N N 2.048 120.716 118.700 -0.054 0.000 2.236 444 N HA 0.242 4.981 4.740 -0.001 0.000 0.196 444 N C 0.884 176.368 175.510 -0.042 0.000 1.114 444 N CA 0.735 53.715 53.050 -0.117 0.000 0.859 444 N CB 0.876 39.295 38.487 -0.114 0.000 0.982 444 N HN 0.470 nan 8.380 nan 0.000 0.493 445 A N 0.260 123.181 122.820 0.169 0.000 2.925 445 A HA -0.172 4.148 4.320 -0.001 0.000 0.265 445 A C 1.263 178.860 177.584 0.022 0.000 1.419 445 A CA 0.820 52.953 52.037 0.160 0.000 0.807 445 A CB -2.253 16.730 19.000 -0.028 0.000 1.043 445 A HN 0.155 nan 8.150 nan 0.000 0.600 446 V N -1.200 118.731 119.914 0.028 0.000 2.575 446 V HA 0.345 4.465 4.120 -0.001 0.000 0.242 446 V C 1.884 177.960 176.094 -0.030 0.000 1.045 446 V CA 1.119 63.408 62.300 -0.019 0.000 1.065 446 V CB -1.117 30.692 31.823 -0.023 0.000 0.717 446 V HN 1.637 nan 8.190 nan 0.000 0.467 447 A N 0.699 123.462 122.820 -0.094 0.000 2.455 447 A HA 0.111 4.430 4.320 -0.001 0.000 0.244 447 A C 0.490 178.085 177.584 0.017 0.000 1.099 447 A CA -0.001 51.927 52.037 -0.181 0.000 0.786 447 A CB -0.072 18.516 19.000 -0.687 0.000 1.051 447 A HN 0.521 nan 8.150 nan 0.000 0.508 448 E N 0.620 120.824 120.200 0.006 0.000 2.344 448 E HA 0.060 4.410 4.350 -0.001 0.000 0.270 448 E C 0.155 176.846 176.600 0.152 0.000 1.021 448 E CA -0.568 55.873 56.400 0.067 0.000 0.887 448 E CB 0.438 30.152 29.700 0.024 0.000 0.997 448 E HN 0.515 nan 8.360 nan 0.000 0.429 449 R N 5.773 126.415 120.500 0.236 0.000 2.543 449 R HA 0.060 4.399 4.340 -0.001 0.000 0.348 449 R C -2.243 174.066 176.300 0.016 0.000 0.981 449 R CA -0.925 55.354 56.100 0.299 0.000 1.019 449 R CB -0.239 30.211 30.300 0.251 0.000 0.944 449 R HN 0.401 nan 8.270 nan 0.000 0.425 450 P HA -0.018 nan 4.420 nan 0.000 0.274 450 P C -0.586 176.501 177.300 -0.354 0.000 1.260 450 P CA -0.413 62.424 63.100 -0.438 0.000 0.793 450 P CB 0.370 31.343 31.700 -1.212 0.000 1.048 451 S N -0.159 115.326 115.700 -0.358 0.000 4.444 451 S HA -0.219 4.250 4.470 -0.001 0.000 0.530 451 S C 0.768 175.341 174.600 -0.044 0.000 1.056 451 S CA 0.854 58.962 58.200 -0.154 0.000 1.012 451 S CB -0.560 62.561 63.200 -0.132 0.000 1.762 451 S HN 0.609 nan 8.310 nan 0.000 0.367 452 D N 2.287 122.701 120.400 0.024 0.000 2.407 452 D HA 0.142 4.782 4.640 -0.001 0.000 0.208 452 D C 1.236 177.553 176.300 0.028 0.000 1.083 452 D CA 0.738 54.753 54.000 0.024 0.000 0.844 452 D CB 0.371 41.180 40.800 0.014 0.000 0.967 452 D HN 0.445 nan 8.370 nan 0.000 0.506 453 V N 0.037 119.998 119.914 0.079 0.000 3.643 453 V HA 0.205 4.325 4.120 -0.001 0.000 0.280 453 V C -0.067 175.839 176.094 -0.313 0.000 1.351 453 V CA -0.042 62.189 62.300 -0.114 0.000 1.073 453 V CB -0.466 31.236 31.823 -0.202 0.000 0.863 453 V HN -0.072 nan 8.190 nan 0.000 0.436 454 Y N -0.433 119.835 120.300 -0.053 0.000 2.602 454 Y HA 0.683 5.233 4.550 -0.001 0.000 0.342 454 Y C 0.409 176.299 175.900 -0.016 0.000 1.029 454 Y CA -1.229 56.845 58.100 -0.043 0.000 1.080 454 Y CB 1.671 40.072 38.460 -0.098 0.000 1.284 454 Y HN -0.118 nan 8.280 nan 0.000 0.485 455 S N 1.253 117.078 115.700 0.209 0.000 2.499 455 S HA 0.714 5.183 4.470 -0.001 0.000 0.279 455 S C -0.853 173.880 174.600 0.222 0.000 1.219 455 S CA -0.440 57.858 58.200 0.163 0.000 1.062 455 S CB -0.571 62.719 63.200 0.150 0.000 0.978 455 S HN 0.731 nan 8.310 nan 0.000 0.489 456 C N 2.622 122.013 119.300 0.151 0.000 2.994 456 C HA 0.827 5.286 4.460 -0.001 0.000 0.305 456 C C 0.246 175.329 174.990 0.154 0.000 1.251 456 C CA -1.138 57.988 59.018 0.180 0.000 1.478 456 C CB 0.697 28.546 27.740 0.182 0.000 1.922 456 C HN 0.698 nan 8.230 nan 0.000 0.472 457 S N 0.750 116.559 115.700 0.182 0.000 2.616 457 S HA 0.565 5.034 4.470 -0.001 0.000 0.277 457 S C -1.791 172.748 174.600 -0.102 0.000 1.234 457 S CA -0.931 57.321 58.200 0.086 0.000 1.028 457 S CB 0.972 64.260 63.200 0.148 0.000 0.988 457 S HN 0.679 nan 8.310 nan 0.000 0.522 458 P HA 0.011 nan 4.420 nan 0.000 0.239 458 P C 0.324 177.342 177.300 -0.470 0.000 1.184 458 P CA 0.642 63.392 63.100 -0.584 0.000 0.760 458 P CB -0.489 30.857 31.700 -0.590 0.000 0.884 459 N N -1.074 117.441 118.700 -0.308 0.000 2.336 459 N HA 0.135 4.874 4.740 -0.001 0.000 0.189 459 N C 0.347 175.586 175.510 -0.451 0.000 1.113 459 N CA 0.119 52.999 53.050 -0.283 0.000 0.858 459 N CB -0.167 38.222 38.487 -0.164 0.000 0.970 459 N HN -0.057 nan 8.380 nan 0.000 0.471 460 G N 0.647 109.014 108.800 -0.722 0.000 3.129 460 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.385 460 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.385 460 G C -0.098 174.261 174.900 -0.902 0.000 1.046 460 G CA -0.156 43.944 45.100 -1.666 0.000 0.933 460 G HN 0.185 nan 8.290 nan 0.000 0.424 461 M N 1.494 120.823 119.600 -0.452 0.000 1.808 461 M HA 0.348 4.827 4.480 -0.001 0.000 0.178 461 M C 0.964 177.046 176.300 -0.364 0.000 1.561 461 M CA 1.448 56.536 55.300 -0.353 0.000 0.862 461 M CB -0.328 32.073 32.600 -0.331 0.000 1.567 461 M HN 1.081 nan 8.290 nan 0.000 0.599 462 M N 0.468 119.938 119.600 -0.216 0.000 4.047 462 M HA -0.239 4.241 4.480 -0.001 0.000 0.157 462 M C -1.947 174.075 176.300 -0.463 0.000 1.532 462 M CA 0.697 55.868 55.300 -0.216 0.000 1.097 462 M CB -1.219 31.182 32.600 -0.330 0.000 1.346 462 M HN 0.333 nan 8.290 nan 0.000 0.190 463 Y N 0.999 121.367 120.300 0.114 0.000 2.562 463 Y HA 0.538 5.088 4.550 -0.001 0.000 0.345 463 Y C -0.512 175.515 175.900 0.213 0.000 1.045 463 Y CA -0.882 57.297 58.100 0.131 0.000 1.028 463 Y CB 1.135 39.658 38.460 0.104 0.000 1.297 463 Y HN 0.441 nan 8.280 nan 0.000 0.463 464 Y N 2.739 123.242 120.300 0.338 0.000 2.783 464 Y HA 0.011 4.561 4.550 -0.001 0.000 0.359 464 Y C 1.295 177.219 175.900 0.040 0.000 1.220 464 Y CA 0.007 58.181 58.100 0.123 0.000 1.649 464 Y CB 0.104 38.626 38.460 0.103 0.000 1.273 464 Y HN 0.517 nan 8.280 nan 0.000 0.506 465 K N 1.799 122.262 120.400 0.106 0.000 2.442 465 K HA -0.178 4.141 4.320 -0.001 0.000 0.199 465 K C 0.839 177.459 176.600 0.033 0.000 1.044 465 K CA 1.385 57.702 56.287 0.051 0.000 0.941 465 K CB -0.002 32.497 32.500 -0.002 0.000 0.759 465 K HN 0.775 nan 8.250 nan 0.000 0.472 466 D N 1.409 121.836 120.400 0.045 0.000 2.296 466 D HA -0.073 4.567 4.640 -0.001 0.000 0.248 466 D C 0.543 176.841 176.300 -0.004 0.000 1.162 466 D CA 0.079 54.084 54.000 0.009 0.000 0.956 466 D CB -0.370 40.428 40.800 -0.003 0.000 1.011 466 D HN -0.065 nan 8.370 nan 0.000 0.404 467 R N 1.441 121.924 120.500 -0.028 0.000 2.734 467 R HA 0.343 4.683 4.340 -0.001 0.000 0.266 467 R C -0.761 175.525 176.300 -0.024 0.000 1.044 467 R CA -0.123 55.946 56.100 -0.051 0.000 1.128 467 R CB -0.291 29.947 30.300 -0.103 0.000 1.010 467 R HN 0.125 nan 8.270 nan 0.000 0.461 468 D N -0.371 120.009 120.400 -0.032 0.000 2.229 468 D HA 0.422 5.062 4.640 -0.001 0.000 0.249 468 D C 0.027 176.307 176.300 -0.033 0.000 1.027 468 D CA -0.054 53.929 54.000 -0.027 0.000 0.923 468 D CB 1.217 41.998 40.800 -0.032 0.000 1.174 468 D HN 0.671 nan 8.370 nan 0.000 0.443 469 G N 0.334 109.112 108.800 -0.037 0.000 2.355 469 G HA2 0.249 4.209 3.960 -0.001 0.000 0.276 469 G HA3 0.249 4.209 3.960 -0.001 0.000 0.276 469 G C 1.250 176.112 174.900 -0.062 0.000 1.198 469 G CA -0.579 44.492 45.100 -0.048 0.000 0.876 469 G HN 0.388 nan 8.290 nan 0.000 0.478 470 V N 3.557 123.432 119.914 -0.064 0.000 2.250 470 V HA -0.269 3.851 4.120 -0.001 0.000 0.253 470 V C 2.905 178.946 176.094 -0.088 0.000 1.065 470 V CA 2.169 64.425 62.300 -0.073 0.000 1.039 470 V CB -0.934 30.839 31.823 -0.083 0.000 0.647 470 V HN 0.553 nan 8.190 nan 0.000 0.446 471 V N 0.897 120.743 119.914 -0.114 0.000 2.216 471 V HA -0.159 3.960 4.120 -0.001 0.000 0.243 471 V C 0.389 176.415 176.094 -0.114 0.000 1.044 471 V CA 2.684 64.899 62.300 -0.142 0.000 0.995 471 V CB -2.098 29.630 31.823 -0.159 0.000 0.633 471 V HN 0.503 nan 8.190 nan 0.000 0.446 472 P HA -0.253 nan 4.420 nan 0.000 0.213 472 P C 1.925 179.188 177.300 -0.061 0.000 1.176 472 P CA 3.183 66.220 63.100 -0.105 0.000 0.919 472 P CB -0.701 30.923 31.700 -0.127 0.000 0.791 473 T N -1.600 112.923 114.554 -0.051 0.000 2.624 473 T HA -0.293 4.057 4.350 -0.001 0.000 0.266 473 T C 1.824 176.531 174.700 0.012 0.000 1.050 473 T CA 2.141 64.227 62.100 -0.024 0.000 1.163 473 T CB -1.376 67.478 68.868 -0.023 0.000 0.861 473 T HN 0.087 nan 8.240 nan 0.000 0.443 474 E N 1.033 121.243 120.200 0.016 0.000 2.049 474 E HA -0.097 4.252 4.350 -0.001 0.000 0.198 474 E C 2.120 178.810 176.600 0.150 0.000 1.007 474 E CA 1.611 58.058 56.400 0.078 0.000 0.809 474 E CB -0.597 29.149 29.700 0.077 0.000 0.749 474 E HN 0.677 nan 8.360 nan 0.000 0.450 475 I N 0.247 120.891 120.570 0.123 0.000 2.052 475 I HA -0.390 3.779 4.170 -0.001 0.000 0.235 475 I C 2.232 178.466 176.117 0.195 0.000 1.046 475 I CA 2.002 63.417 61.300 0.193 0.000 1.308 475 I CB -0.998 37.047 38.000 0.075 0.000 1.031 475 I HN 0.272 nan 8.210 nan 0.000 0.395 476 T N 0.579 115.185 114.554 0.087 0.000 2.635 476 T HA -0.375 3.975 4.350 -0.001 0.000 0.265 476 T C 1.801 176.576 174.700 0.125 0.000 1.058 476 T CA 2.340 64.462 62.100 0.037 0.000 1.162 476 T CB -0.536 68.316 68.868 -0.028 0.000 0.859 476 T HN 0.327 nan 8.240 nan 0.000 0.449 477 K N 0.608 121.076 120.400 0.115 0.000 2.001 477 K HA -0.158 4.162 4.320 -0.001 0.000 0.214 477 K C 2.288 178.986 176.600 0.163 0.000 1.050 477 K CA 1.802 58.162 56.287 0.122 0.000 0.934 477 K CB -0.613 31.951 32.500 0.107 0.000 0.718 477 K HN 0.192 nan 8.250 nan 0.000 0.443 478 V N 1.013 121.050 119.914 0.206 0.000 2.287 478 V HA -0.253 3.867 4.120 -0.001 0.000 0.248 478 V C 2.137 178.345 176.094 0.189 0.000 1.053 478 V CA 2.137 64.559 62.300 0.204 0.000 1.027 478 V CB -0.686 31.298 31.823 0.269 0.000 0.646 478 V HN 0.429 nan 8.190 nan 0.000 0.447 479 F N 2.197 122.190 119.950 0.072 0.000 2.147 479 F HA -0.240 4.287 4.527 -0.001 0.000 0.301 479 F C 2.125 177.926 175.800 0.002 0.000 1.084 479 F CA 2.035 60.062 58.000 0.046 0.000 1.268 479 F CB -0.479 38.556 39.000 0.058 0.000 1.009 479 F HN 0.271 nan 8.300 nan 0.000 0.486 480 N N 0.296 119.237 118.700 0.401 0.000 2.512 480 N HA -0.098 4.641 4.740 -0.001 0.000 0.183 480 N C 1.612 177.121 175.510 -0.002 0.000 1.073 480 N CA 0.889 54.080 53.050 0.234 0.000 0.911 480 N CB -0.303 38.289 38.487 0.175 0.000 0.964 480 N HN 0.578 nan 8.380 nan 0.000 0.447 481 Q N 0.271 120.027 119.800 -0.073 0.000 2.123 481 Q HA 0.064 4.404 4.340 -0.001 0.000 0.196 481 Q C 1.960 177.749 176.000 -0.352 0.000 0.958 481 Q CA 0.582 56.217 55.803 -0.281 0.000 0.841 481 Q CB -0.000 28.570 28.738 -0.280 0.000 0.915 481 Q HN 0.234 nan 8.270 nan 0.000 0.455 482 R N 1.243 121.588 120.500 -0.258 0.000 2.241 482 R HA -0.102 4.238 4.340 -0.001 0.000 0.224 482 R C 1.848 178.000 176.300 -0.246 0.000 1.101 482 R CA 1.040 56.991 56.100 -0.248 0.000 0.995 482 R CB 0.156 30.295 30.300 -0.268 0.000 0.870 482 R HN 0.017 nan 8.270 nan 0.000 0.463 483 K N 0.238 120.496 120.400 -0.236 0.000 2.243 483 K HA -0.114 4.206 4.320 -0.001 0.000 0.201 483 K C 1.743 178.251 176.600 -0.153 0.000 1.051 483 K CA 1.351 57.542 56.287 -0.161 0.000 0.970 483 K CB 0.243 32.714 32.500 -0.048 0.000 0.755 483 K HN 0.429 nan 8.250 nan 0.000 0.465 484 E N -1.079 118.979 120.200 -0.237 0.000 2.190 484 E HA -0.133 4.216 4.350 -0.001 0.000 0.191 484 E C 1.462 177.693 176.600 -0.616 0.000 0.978 484 E CA 0.654 56.829 56.400 -0.375 0.000 0.839 484 E CB -0.151 29.303 29.700 -0.410 0.000 0.787 484 E HN 0.220 nan 8.360 nan 0.000 0.473 485 H N 1.272 119.993 119.070 -0.582 0.000 2.395 485 H HA 0.098 4.654 4.556 -0.001 0.000 0.299 485 H C 1.707 176.898 175.328 -0.229 0.000 1.070 485 H CA 1.286 57.067 56.048 -0.445 0.000 1.356 485 H CB 0.025 29.633 29.762 -0.256 0.000 1.401 485 H HN 0.134 nan 8.280 nan 0.000 0.524 486 K N 0.035 120.393 120.400 -0.069 0.000 2.283 486 K HA -0.047 4.272 4.320 -0.001 0.000 0.202 486 K C 2.061 178.632 176.600 -0.049 0.000 1.048 486 K CA 0.768 57.019 56.287 -0.060 0.000 0.948 486 K CB 0.041 32.494 32.500 -0.077 0.000 0.742 486 K HN 0.325 nan 8.250 nan 0.000 0.458 487 G N -0.423 108.331 108.800 -0.076 0.000 2.426 487 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.214 487 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.214 487 G C 1.016 175.975 174.900 0.097 0.000 1.156 487 G CA 0.208 45.300 45.100 -0.014 0.000 0.802 487 G HN 0.191 nan 8.290 nan 0.000 0.534 488 Y N 0.098 120.350 120.300 -0.081 0.000 2.242 488 Y HA 0.116 4.665 4.550 -0.001 0.000 0.291 488 Y C 2.724 178.522 175.900 -0.170 0.000 1.137 488 Y CA 0.340 58.333 58.100 -0.178 0.000 1.181 488 Y CB -0.787 37.550 38.460 -0.205 0.000 0.989 488 Y HN 0.175 nan 8.280 nan 0.000 0.527 489 M N -0.677 118.947 119.600 0.040 0.000 2.149 489 M HA -0.205 4.274 4.480 -0.001 0.000 0.261 489 M C 1.580 177.852 176.300 -0.046 0.000 1.064 489 M CA 1.671 56.951 55.300 -0.032 0.000 1.102 489 M CB -0.192 32.383 32.600 -0.042 0.000 1.369 489 M HN 0.220 nan 8.290 nan 0.000 0.408 490 L N -0.831 120.374 121.223 -0.031 0.000 2.209 490 L HA 0.007 4.346 4.340 -0.001 0.000 0.207 490 L C 2.646 179.477 176.870 -0.065 0.000 1.094 490 L CA 0.605 55.422 54.840 -0.040 0.000 0.790 490 L CB -0.938 41.108 42.059 -0.022 0.000 0.932 490 L HN 0.304 nan 8.230 nan 0.000 0.447 491 A N 0.737 123.510 122.820 -0.078 0.000 1.828 491 A HA -0.172 4.147 4.320 -0.001 0.000 0.215 491 A C 2.442 179.915 177.584 -0.185 0.000 1.203 491 A CA 1.705 53.652 52.037 -0.149 0.000 0.614 491 A CB -1.030 17.853 19.000 -0.195 0.000 0.844 491 A HN 0.333 nan 8.150 nan 0.000 0.445 492 A N -1.179 121.544 122.820 -0.162 0.000 2.285 492 A HA -0.142 4.178 4.320 -0.001 0.000 0.214 492 A C 1.965 179.473 177.584 -0.127 0.000 1.188 492 A CA 1.966 53.914 52.037 -0.148 0.000 0.707 492 A CB -0.485 18.427 19.000 -0.146 0.000 0.771 492 A HN 0.755 nan 8.150 nan 0.000 0.488 493 Q N -1.078 118.660 119.800 -0.104 0.000 2.263 493 Q HA 0.099 4.439 4.340 -0.001 0.000 0.196 493 Q C 2.200 178.165 176.000 -0.059 0.000 0.965 493 Q CA 0.507 56.265 55.803 -0.074 0.000 0.851 493 Q CB 0.018 28.721 28.738 -0.057 0.000 0.948 493 Q HN 0.528 nan 8.270 nan 0.000 0.516 494 R N 0.159 120.620 120.500 -0.066 0.000 2.092 494 R HA -0.003 4.336 4.340 -0.001 0.000 0.231 494 R C 1.910 178.179 176.300 -0.051 0.000 1.119 494 R CA 1.390 57.462 56.100 -0.047 0.000 0.970 494 R CB -0.019 30.254 30.300 -0.045 0.000 0.864 494 R HN 0.298 nan 8.270 nan 0.000 0.440 495 N N -0.243 118.369 118.700 -0.147 0.000 2.188 495 N HA -0.085 4.654 4.740 -0.001 0.000 0.184 495 N C 1.646 177.211 175.510 0.092 0.000 1.018 495 N CA 1.448 54.368 53.050 -0.215 0.000 0.858 495 N CB -0.437 37.626 38.487 -0.708 0.000 0.989 495 N HN 0.306 nan 8.380 nan 0.000 0.426 496 G N 0.492 109.291 108.800 -0.001 0.000 2.484 496 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.218 496 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.218 496 G C 1.445 176.358 174.900 0.021 0.000 1.130 496 G CA 0.311 45.413 45.100 0.004 0.000 0.784 496 G HN 0.179 nan 8.290 nan 0.000 0.543 497 E N 0.177 120.391 120.200 0.024 0.000 2.216 497 E HA 0.006 4.355 4.350 -0.001 0.000 0.192 497 E C 2.429 179.052 176.600 0.037 0.000 0.988 497 E CA 0.133 56.547 56.400 0.023 0.000 0.834 497 E CB -0.009 29.701 29.700 0.017 0.000 0.772 497 E HN 0.376 nan 8.360 nan 0.000 0.479 498 I N 1.034 121.655 120.570 0.086 0.000 2.252 498 I HA -0.216 3.954 4.170 -0.001 0.000 0.245 498 I C 2.344 178.484 176.117 0.039 0.000 1.102 498 I CA 0.785 62.141 61.300 0.093 0.000 1.385 498 I CB -0.410 37.712 38.000 0.202 0.000 1.064 498 I HN 0.056 nan 8.210 nan 0.000 0.414 499 I N 0.103 120.709 120.570 0.059 0.000 2.099 499 I HA -0.385 3.784 4.170 -0.001 0.000 0.239 499 I C 2.573 178.654 176.117 -0.060 0.000 1.066 499 I CA 1.539 62.842 61.300 0.005 0.000 1.324 499 I CB -0.346 37.670 38.000 0.027 0.000 1.037 499 I HN 0.197 nan 8.210 nan 0.000 0.401 500 K N 0.038 120.407 120.400 -0.051 0.000 2.059 500 K HA -0.291 4.028 4.320 -0.001 0.000 0.212 500 K C 2.137 178.575 176.600 -0.270 0.000 1.050 500 K CA 1.857 58.090 56.287 -0.091 0.000 0.927 500 K CB -0.208 32.278 32.500 -0.023 0.000 0.714 500 K HN 0.355 nan 8.250 nan 0.000 0.447 501 E N 0.160 120.241 120.200 -0.198 0.000 2.016 501 E HA -0.094 4.256 4.350 -0.001 0.000 0.190 501 E C 1.428 177.853 176.600 -0.292 0.000 0.985 501 E CA 0.884 57.132 56.400 -0.253 0.000 0.802 501 E CB -0.012 29.658 29.700 -0.049 0.000 0.762 501 E HN 0.256 nan 8.360 nan 0.000 0.448 502 A N 0.944 123.674 122.820 -0.149 0.000 2.250 502 A HA 0.015 4.335 4.320 -0.001 0.000 0.208 502 A C 1.577 179.091 177.584 -0.116 0.000 1.254 502 A CA 0.223 52.202 52.037 -0.096 0.000 0.858 502 A CB -0.404 18.566 19.000 -0.049 0.000 0.820 502 A HN 0.265 nan 8.150 nan 0.000 0.484 503 L N -1.481 119.604 121.223 -0.230 0.000 2.872 503 L HA 0.262 4.602 4.340 -0.001 0.000 0.245 503 L C 1.135 177.943 176.870 -0.103 0.000 1.211 503 L CA 0.122 54.863 54.840 -0.165 0.000 1.013 503 L CB -0.111 41.856 42.059 -0.152 0.000 1.326 503 L HN 0.634 nan 8.230 nan 0.000 0.525 504 H N -1.665 117.411 119.070 0.009 0.000 2.657 504 H HA 0.181 4.736 4.556 -0.001 0.000 0.262 504 H C 0.514 175.845 175.328 0.006 0.000 0.965 504 H CA -0.077 55.976 56.048 0.008 0.000 1.184 504 H CB 0.681 30.448 29.762 0.009 0.000 1.443 504 H HN 0.262 nan 8.280 nan 0.000 0.462 505 N N 2.257 121.026 118.700 0.115 0.000 3.040 505 N HA 0.158 4.898 4.740 -0.001 0.000 0.305 505 N C -2.802 172.726 175.510 0.030 0.000 1.611 505 N CA -1.125 51.962 53.050 0.061 0.000 1.049 505 N CB 0.995 39.513 38.487 0.051 0.000 1.342 505 N HN 0.215 nan 8.380 nan 0.000 0.497 506 P HA 0.030 nan 4.420 nan 0.000 0.339 506 P C 0.010 177.314 177.300 0.006 0.000 1.376 506 P CA -0.478 62.629 63.100 0.011 0.000 0.797 506 P CB 0.135 31.846 31.700 0.018 0.000 1.872 507 N N -1.135 117.567 118.700 0.004 0.000 1.873 507 N HA -0.120 4.619 4.740 -0.001 0.000 0.319 507 N C -1.215 174.296 175.510 0.001 0.000 1.180 507 N CA 0.269 53.319 53.050 0.001 0.000 0.835 507 N CB -0.476 38.013 38.487 0.003 0.000 1.016 507 N HN 0.208 nan 8.380 nan 0.000 0.498 508 L N 1.072 122.294 121.223 -0.001 0.000 2.722 508 L HA 0.263 4.602 4.340 -0.001 0.000 0.244 508 L C -0.306 176.563 176.870 -0.003 0.000 1.023 508 L CA 0.527 55.366 54.840 -0.002 0.000 0.988 508 L CB 0.546 42.603 42.059 -0.003 0.000 1.245 508 L HN 1.250 nan 8.230 nan 0.000 0.508 509 S N 0.511 116.210 115.700 -0.002 0.000 3.949 509 S HA -0.088 4.382 4.470 -0.001 0.000 0.637 509 S C -0.703 173.896 174.600 -0.002 0.000 1.767 509 S CA -0.104 58.095 58.200 -0.002 0.000 1.963 509 S CB -0.627 62.571 63.200 -0.003 0.000 0.329 509 S HN 0.472 nan 8.310 nan 0.000 1.760 510 V N 2.779 122.692 119.914 -0.003 0.000 2.318 510 V HA 0.505 4.624 4.120 -0.001 0.000 0.271 510 V C 0.277 176.369 176.094 -0.003 0.000 1.030 510 V CA -0.238 62.060 62.300 -0.002 0.000 0.844 510 V CB 0.667 32.489 31.823 -0.002 0.000 1.015 510 V HN 0.668 nan 8.190 nan 0.000 0.460 511 D N 3.070 123.468 120.400 -0.003 0.000 2.549 511 D HA 0.505 5.145 4.640 -0.001 0.000 0.270 511 D C -0.484 175.815 176.300 -0.002 0.000 1.181 511 D CA -0.486 53.511 54.000 -0.005 0.000 1.070 511 D CB 1.800 42.596 40.800 -0.007 0.000 1.154 511 D HN 0.364 nan 8.370 nan 0.000 0.602 512 E N 0.953 121.151 120.200 -0.004 0.000 2.256 512 E HA 0.310 4.660 4.350 -0.001 0.000 0.268 512 E C -2.387 174.212 176.600 -0.001 0.000 0.877 512 E CA -1.723 54.677 56.400 -0.001 0.000 0.757 512 E CB 2.384 32.082 29.700 -0.003 0.000 1.183 512 E HN 0.156 nan 8.360 nan 0.000 0.418 513 P HA 0.086 nan 4.420 nan 0.000 0.271 513 P C -0.219 177.084 177.300 0.005 0.000 1.226 513 P CA -0.518 62.592 63.100 0.016 0.000 0.765 513 P CB 0.222 31.949 31.700 0.045 0.000 0.835 514 L N 1.408 122.620 121.223 -0.017 0.000 2.452 514 L HA 0.397 4.736 4.340 -0.001 0.000 0.267 514 L C 0.488 177.332 176.870 -0.044 0.000 1.188 514 L CA 0.156 54.972 54.840 -0.040 0.000 0.821 514 L CB -0.711 41.303 42.059 -0.075 0.000 1.102 514 L HN 0.193 nan 8.230 nan 0.000 0.470 515 D N 1.368 121.738 120.400 -0.050 0.000 2.393 515 D HA 0.472 5.111 4.640 -0.001 0.000 0.232 515 D C -0.409 175.840 176.300 -0.085 0.000 1.192 515 D CA 0.226 54.189 54.000 -0.062 0.000 0.882 515 D CB 0.781 41.557 40.800 -0.040 0.000 1.038 515 D HN 0.582 nan 8.370 nan 0.000 0.499 516 V N 0.224 120.047 119.914 -0.152 0.000 3.182 516 V HA 0.571 4.690 4.120 -0.001 0.000 0.308 516 V C -0.570 175.347 176.094 -0.294 0.000 1.240 516 V CA -1.066 61.151 62.300 -0.139 0.000 1.063 516 V CB 2.470 34.264 31.823 -0.049 0.000 1.076 516 V HN 0.130 nan 8.190 nan 0.000 0.446 517 D N -0.293 120.020 120.400 -0.145 0.000 2.414 517 D HA 0.410 5.049 4.640 -0.001 0.000 0.232 517 D C 0.075 176.242 176.300 -0.223 0.000 1.070 517 D CA -0.305 53.599 54.000 -0.159 0.000 0.839 517 D CB 1.393 42.314 40.800 0.201 0.000 1.079 517 D HN 0.569 nan 8.370 nan 0.000 0.521 518 Y N 2.409 122.659 120.300 -0.083 0.000 2.483 518 Y HA -0.068 4.481 4.550 -0.001 0.000 0.291 518 Y C 2.135 177.769 175.900 -0.443 0.000 1.143 518 Y CA 0.660 58.645 58.100 -0.191 0.000 1.289 518 Y CB -0.111 38.263 38.460 -0.142 0.000 0.983 518 Y HN 0.330 nan 8.280 nan 0.000 0.556 519 R N -0.706 119.402 120.500 -0.653 0.000 2.237 519 R HA 0.003 4.342 4.340 -0.001 0.000 0.219 519 R C -0.745 174.713 176.300 -1.405 0.000 1.080 519 R CA 0.620 55.963 56.100 -1.261 0.000 0.995 519 R CB -0.175 28.868 30.300 -2.096 0.000 0.875 519 R HN 0.113 nan 8.270 nan 0.000 0.462 520 F N -0.715 119.122 119.950 -0.188 0.000 2.556 520 F HA 0.289 4.815 4.527 -0.001 0.000 0.314 520 F C -0.315 175.357 175.800 -0.213 0.000 1.106 520 F CA -2.008 55.915 58.000 -0.129 0.000 0.911 520 F CB 1.126 40.079 39.000 -0.078 0.000 1.190 520 F HN -0.272 nan 8.300 nan 0.000 0.448 521 D N 2.242 122.608 120.400 -0.058 0.000 2.487 521 D HA 0.055 4.694 4.640 -0.001 0.000 0.243 521 D C 0.816 177.074 176.300 -0.070 0.000 1.154 521 D CA 0.412 54.292 54.000 -0.200 0.000 0.876 521 D CB 0.391 41.139 40.800 -0.088 0.000 1.161 521 D HN 0.295 nan 8.370 nan 0.000 0.478 522 F N 1.718 121.713 119.950 0.076 0.000 2.045 522 F HA -0.268 4.258 4.527 -0.001 0.000 0.297 522 F C 1.661 177.485 175.800 0.040 0.000 1.114 522 F CA 1.343 59.376 58.000 0.055 0.000 1.207 522 F CB -1.263 37.764 39.000 0.046 0.000 0.964 522 F HN 0.553 nan 8.300 nan 0.000 0.486 523 S N -0.931 114.912 115.700 0.240 0.000 3.303 523 S HA -0.132 4.338 4.470 -0.001 0.000 0.798 523 S C 0.307 174.977 174.600 0.117 0.000 0.982 523 S CA -0.293 57.989 58.200 0.137 0.000 1.226 523 S CB -1.321 61.938 63.200 0.098 0.000 0.835 523 S HN 0.486 nan 8.310 nan 0.000 0.285 524 D N 1.151 121.597 120.400 0.077 0.000 2.192 524 D HA -0.252 4.388 4.640 -0.001 0.000 0.189 524 D C 1.592 177.919 176.300 0.044 0.000 1.007 524 D CA 1.543 55.576 54.000 0.055 0.000 0.859 524 D CB -0.312 40.512 40.800 0.040 0.000 0.936 524 D HN 0.622 nan 8.370 nan 0.000 0.447 525 E N 0.034 120.258 120.200 0.040 0.000 2.065 525 E HA -0.185 4.164 4.350 -0.001 0.000 0.201 525 E C 2.070 178.679 176.600 0.014 0.000 1.016 525 E CA 1.159 57.574 56.400 0.025 0.000 0.818 525 E CB -0.075 29.640 29.700 0.024 0.000 0.749 525 E HN 0.412 nan 8.360 nan 0.000 0.453 526 I N 0.335 120.921 120.570 0.026 0.000 3.419 526 I HA -0.054 4.115 4.170 -0.001 0.000 0.286 526 I C 2.112 178.199 176.117 -0.049 0.000 1.268 526 I CA 0.410 61.695 61.300 -0.026 0.000 1.414 526 I CB -0.671 37.303 38.000 -0.045 0.000 1.074 526 I HN -0.004 nan 8.210 nan 0.000 0.457 527 K N 1.167 121.581 120.400 0.023 0.000 2.063 527 K HA -0.198 4.122 4.320 -0.001 0.000 0.208 527 K C 1.832 178.430 176.600 -0.002 0.000 1.048 527 K CA 1.569 57.876 56.287 0.033 0.000 0.928 527 K CB 0.151 32.694 32.500 0.073 0.000 0.713 527 K HN 0.150 nan 8.250 nan 0.000 0.442 528 E N 0.097 120.294 120.200 -0.004 0.000 2.250 528 E HA 0.009 4.359 4.350 -0.001 0.000 0.192 528 E C 1.160 177.746 176.600 -0.023 0.000 0.986 528 E CA 0.661 57.056 56.400 -0.009 0.000 0.849 528 E CB 0.237 29.938 29.700 0.000 0.000 0.797 528 E HN 0.099 nan 8.360 nan 0.000 0.482 529 K N 0.390 120.770 120.400 -0.034 0.000 2.519 529 K HA -0.063 4.256 4.320 -0.001 0.000 0.196 529 K C 1.082 177.648 176.600 -0.058 0.000 1.041 529 K CA 0.447 56.709 56.287 -0.042 0.000 0.954 529 K CB 0.119 32.588 32.500 -0.051 0.000 0.774 529 K HN 0.128 nan 8.250 nan 0.000 0.480 530 I N 0.895 121.424 120.570 -0.067 0.000 2.499 530 I HA -0.142 4.027 4.170 -0.001 0.000 0.243 530 I C 1.620 177.705 176.117 -0.052 0.000 1.085 530 I CA 1.206 62.458 61.300 -0.080 0.000 1.422 530 I CB -0.834 37.092 38.000 -0.123 0.000 1.165 530 I HN 0.023 nan 8.210 nan 0.000 0.440 531 K N 1.126 121.504 120.400 -0.036 0.000 2.286 531 K HA -0.184 4.136 4.320 -0.001 0.000 0.203 531 K C 1.854 178.442 176.600 -0.021 0.000 1.045 531 K CA 0.886 57.158 56.287 -0.025 0.000 0.935 531 K CB -0.214 32.278 32.500 -0.013 0.000 0.737 531 K HN 0.111 nan 8.250 nan 0.000 0.460 532 K N 1.346 121.732 120.400 -0.023 0.000 2.515 532 K HA -0.032 4.288 4.320 -0.001 0.000 0.196 532 K C 0.162 176.750 176.600 -0.021 0.000 1.038 532 K CA 0.412 56.688 56.287 -0.019 0.000 0.967 532 K CB 0.032 32.520 32.500 -0.020 0.000 0.780 532 K HN 0.184 nan 8.250 nan 0.000 0.483 533 L N 1.050 122.257 121.223 -0.026 0.000 2.431 533 L HA 0.122 4.461 4.340 -0.001 0.000 0.260 533 L C 0.962 177.822 176.870 -0.015 0.000 1.098 533 L CA -0.453 54.373 54.840 -0.023 0.000 0.800 533 L CB 1.356 43.397 42.059 -0.030 0.000 1.210 533 L HN 0.071 nan 8.230 nan 0.000 0.465 534 S N -0.094 115.599 115.700 -0.011 0.000 2.661 534 S HA 0.357 4.827 4.470 -0.001 0.000 0.265 534 S C 0.640 175.237 174.600 -0.005 0.000 1.225 534 S CA -0.043 58.153 58.200 -0.006 0.000 0.986 534 S CB 1.418 64.616 63.200 -0.004 0.000 1.008 534 S HN 0.662 nan 8.310 nan 0.000 0.565 535 A N -0.172 122.648 122.820 -0.001 0.000 2.218 535 A HA 0.196 4.516 4.320 -0.001 0.000 0.209 535 A C 1.942 179.528 177.584 0.004 0.000 1.168 535 A CA 0.221 52.259 52.037 0.002 0.000 0.804 535 A CB -0.457 18.547 19.000 0.006 0.000 0.834 535 A HN 0.657 nan 8.150 nan 0.000 0.482 536 K N 0.138 120.539 120.400 0.003 0.000 2.314 536 K HA 0.093 4.413 4.320 -0.001 0.000 0.198 536 K C 1.676 178.281 176.600 0.008 0.000 1.045 536 K CA 1.140 57.429 56.287 0.004 0.000 0.988 536 K CB 0.012 32.513 32.500 0.001 0.000 0.783 536 K HN 0.437 nan 8.250 nan 0.000 0.484 537 S N 0.939 116.643 115.700 0.006 0.000 2.336 537 S HA 0.097 4.567 4.470 -0.001 0.000 0.216 537 S C 1.171 175.780 174.600 0.014 0.000 1.032 537 S CA 0.213 58.419 58.200 0.010 0.000 0.973 537 S CB -0.025 63.174 63.200 -0.000 0.000 0.888 537 S HN 0.142 nan 8.310 nan 0.000 0.455 538 L N 2.200 123.425 121.223 0.003 0.000 2.476 538 L HA 0.159 4.498 4.340 -0.001 0.000 0.264 538 L C 1.259 178.138 176.870 0.015 0.000 1.224 538 L CA -0.009 54.833 54.840 0.002 0.000 0.821 538 L CB -0.013 42.037 42.059 -0.014 0.000 1.101 538 L HN 0.382 nan 8.230 nan 0.000 0.488 539 N N -0.213 118.500 118.700 0.022 0.000 2.825 539 N HA -0.224 4.516 4.740 -0.001 0.000 0.206 539 N C 1.240 176.789 175.510 0.065 0.000 1.057 539 N CA 1.710 54.782 53.050 0.036 0.000 1.343 539 N CB -0.430 38.070 38.487 0.022 0.000 0.942 539 N HN 0.713 nan 8.380 nan 0.000 0.562 540 E N 0.813 121.050 120.200 0.062 0.000 2.190 540 E HA 0.214 4.564 4.350 -0.001 0.000 0.191 540 E C 1.818 178.491 176.600 0.120 0.000 0.978 540 E CA 0.812 57.269 56.400 0.094 0.000 0.839 540 E CB -0.078 29.662 29.700 0.066 0.000 0.787 540 E HN 0.384 nan 8.360 nan 0.000 0.473 541 M N -0.056 119.593 119.600 0.082 0.000 2.077 541 M HA 0.002 4.482 4.480 -0.001 0.000 0.261 541 M C 2.086 178.388 176.300 0.002 0.000 1.070 541 M CA 1.010 56.360 55.300 0.083 0.000 1.125 541 M CB -0.534 32.102 32.600 0.060 0.000 1.339 541 M HN 0.297 nan 8.290 nan 0.000 0.409 542 L N -0.582 120.648 121.223 0.011 0.000 1.978 542 L HA -0.259 4.081 4.340 -0.001 0.000 0.218 542 L C 2.210 179.052 176.870 -0.047 0.000 1.075 542 L CA 2.092 56.918 54.840 -0.023 0.000 0.767 542 L CB -0.948 41.121 42.059 0.017 0.000 0.890 542 L HN 0.372 nan 8.230 nan 0.000 0.434 543 F N 0.385 120.286 119.950 -0.082 0.000 2.120 543 F HA -0.264 4.263 4.527 -0.001 0.000 0.300 543 F C 2.533 178.257 175.800 -0.127 0.000 1.095 543 F CA 1.660 59.612 58.000 -0.080 0.000 1.249 543 F CB -0.338 38.639 39.000 -0.039 0.000 0.995 543 F HN 0.067 nan 8.300 nan 0.000 0.480 544 R N 0.632 121.028 120.500 -0.172 0.000 2.080 544 R HA -0.169 4.170 4.340 -0.001 0.000 0.236 544 R C 2.423 178.266 176.300 -0.762 0.000 1.137 544 R CA 1.443 57.358 56.100 -0.308 0.000 0.943 544 R CB -1.540 28.771 30.300 0.019 0.000 0.846 544 R HN 0.448 nan 8.270 nan 0.000 0.431 545 A N 1.377 123.582 122.820 -1.025 0.000 1.828 545 A HA -0.261 4.058 4.320 -0.001 0.000 0.215 545 A C 2.210 179.475 177.584 -0.531 0.000 1.203 545 A CA 1.777 53.201 52.037 -1.022 0.000 0.614 545 A CB -0.912 17.717 19.000 -0.619 0.000 0.844 545 A HN 0.501 nan 8.150 nan 0.000 0.445 546 Q N -0.732 118.837 119.800 -0.384 0.000 2.124 546 Q HA -0.321 4.019 4.340 -0.001 0.000 0.215 546 Q C 2.184 177.990 176.000 -0.323 0.000 1.015 546 Q CA 2.482 58.114 55.803 -0.284 0.000 0.890 546 Q CB -0.309 28.307 28.738 -0.203 0.000 0.966 546 Q HN 0.586 nan 8.270 nan 0.000 0.412 547 R N -0.263 119.943 120.500 -0.489 0.000 2.236 547 R HA -0.061 4.279 4.340 -0.001 0.000 0.208 547 R C 2.378 178.496 176.300 -0.304 0.000 1.036 547 R CA 1.505 57.338 56.100 -0.444 0.000 1.001 547 R CB -0.061 29.805 30.300 -0.724 0.000 0.896 547 R HN 0.653 nan 8.270 nan 0.000 0.464 548 T N -2.279 112.097 114.554 -0.297 0.000 2.937 548 T HA -0.089 4.260 4.350 -0.001 0.000 0.260 548 T C 1.703 176.292 174.700 -0.185 0.000 1.051 548 T CA 0.946 62.926 62.100 -0.200 0.000 1.141 548 T CB 0.054 68.856 68.868 -0.109 0.000 0.879 548 T HN 0.340 nan 8.240 nan 0.000 0.459 549 E N 0.762 120.844 120.200 -0.198 0.000 2.118 549 E HA -0.132 4.217 4.350 -0.001 0.000 0.195 549 E C 2.083 178.599 176.600 -0.139 0.000 0.992 549 E CA 1.383 57.691 56.400 -0.154 0.000 0.804 549 E CB -0.340 29.272 29.700 -0.147 0.000 0.741 549 E HN 0.414 nan 8.360 nan 0.000 0.458 550 V N 1.286 121.108 119.914 -0.154 0.000 2.261 550 V HA -0.275 3.845 4.120 -0.001 0.000 0.246 550 V C 2.540 178.555 176.094 -0.132 0.000 1.047 550 V CA 1.941 64.162 62.300 -0.133 0.000 1.015 550 V CB -0.910 30.832 31.823 -0.134 0.000 0.642 550 V HN 0.528 nan 8.190 nan 0.000 0.446 551 A N 0.463 123.194 122.820 -0.149 0.000 1.865 551 A HA -0.157 4.162 4.320 -0.001 0.000 0.217 551 A C 2.410 179.889 177.584 -0.174 0.000 1.191 551 A CA 2.157 54.102 52.037 -0.152 0.000 0.623 551 A CB -1.425 17.474 19.000 -0.168 0.000 0.826 551 A HN 0.566 nan 8.150 nan 0.000 0.444 552 G N -0.375 108.309 108.800 -0.193 0.000 2.470 552 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.220 552 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.220 552 G C 1.514 176.307 174.900 -0.177 0.000 1.121 552 G CA 1.683 46.631 45.100 -0.252 0.000 0.766 552 G HN 0.713 nan 8.290 nan 0.000 0.553 553 M N -0.496 119.028 119.600 -0.127 0.000 2.248 553 M HA 0.220 4.699 4.480 -0.001 0.000 0.265 553 M C 2.212 178.451 176.300 -0.102 0.000 1.079 553 M CA 2.319 57.560 55.300 -0.099 0.000 1.150 553 M CB -0.895 31.649 32.600 -0.093 0.000 1.366 553 M HN -0.096 nan 8.290 nan 0.000 0.433 554 T N 0.456 114.945 114.554 -0.109 0.000 2.737 554 T HA -0.069 4.280 4.350 -0.001 0.000 0.269 554 T C 1.731 176.372 174.700 -0.099 0.000 1.040 554 T CA 1.942 63.981 62.100 -0.101 0.000 1.142 554 T CB -0.478 68.341 68.868 -0.081 0.000 0.861 554 T HN 0.627 nan 8.240 nan 0.000 0.456 555 A N 0.732 123.498 122.820 -0.090 0.000 1.970 555 A HA -0.007 4.312 4.320 -0.001 0.000 0.216 555 A C 2.274 179.858 177.584 0.000 0.000 1.170 555 A CA 1.380 53.392 52.037 -0.042 0.000 0.645 555 A CB -0.542 18.439 19.000 -0.032 0.000 0.816 555 A HN 0.533 nan 8.150 nan 0.000 0.447 556 Q N 0.074 119.872 119.800 -0.003 0.000 2.079 556 Q HA -0.149 4.190 4.340 -0.001 0.000 0.200 556 Q C 1.823 177.777 176.000 -0.078 0.000 0.974 556 Q CA 1.447 57.236 55.803 -0.023 0.000 0.840 556 Q CB -0.285 28.436 28.738 -0.028 0.000 0.898 556 Q HN 0.465 nan 8.270 nan 0.000 0.430 557 I N 2.301 122.811 120.570 -0.099 0.000 2.179 557 I HA -0.251 3.919 4.170 -0.001 0.000 0.242 557 I C 2.308 178.329 176.117 -0.160 0.000 1.088 557 I CA 1.269 62.489 61.300 -0.133 0.000 1.357 557 I CB -1.646 36.240 38.000 -0.190 0.000 1.051 557 I HN 0.325 nan 8.210 nan 0.000 0.409 558 N N 1.470 120.060 118.700 -0.184 0.000 2.073 558 N HA -0.261 4.479 4.740 -0.001 0.000 0.199 558 N C 1.880 177.294 175.510 -0.159 0.000 1.023 558 N CA 1.804 54.729 53.050 -0.209 0.000 0.880 558 N CB -0.072 38.301 38.487 -0.190 0.000 1.052 558 N HN 0.227 nan 8.380 nan 0.000 0.449 559 R N 0.930 121.351 120.500 -0.133 0.000 2.075 559 R HA -0.086 4.254 4.340 -0.001 0.000 0.230 559 R C 2.228 178.525 176.300 -0.005 0.000 1.140 559 R CA 1.129 57.181 56.100 -0.080 0.000 0.928 559 R CB -1.156 29.081 30.300 -0.105 0.000 0.834 559 R HN 0.417 nan 8.270 nan 0.000 0.429 560 K N 0.949 121.348 120.400 -0.001 0.000 2.144 560 K HA -0.170 4.149 4.320 -0.001 0.000 0.209 560 K C 2.263 178.957 176.600 0.157 0.000 1.047 560 K CA 1.402 57.736 56.287 0.078 0.000 0.927 560 K CB -0.180 32.395 32.500 0.126 0.000 0.716 560 K HN 0.104 nan 8.250 nan 0.000 0.454 561 L N 0.240 121.540 121.223 0.128 0.000 1.943 561 L HA -0.268 4.072 4.340 -0.001 0.000 0.215 561 L C 2.418 179.381 176.870 0.155 0.000 1.074 561 L CA 0.790 55.720 54.840 0.151 0.000 0.759 561 L CB -0.698 41.330 42.059 -0.053 0.000 0.888 561 L HN 0.203 nan 8.230 nan 0.000 0.433 562 L N 0.178 121.440 121.223 0.066 0.000 1.997 562 L HA -0.326 4.013 4.340 -0.001 0.000 0.227 562 L C 2.489 179.632 176.870 0.456 0.000 1.087 562 L CA 1.988 56.860 54.840 0.054 0.000 0.797 562 L CB -0.849 41.112 42.059 -0.163 0.000 0.902 562 L HN 0.173 nan 8.230 nan 0.000 0.441 563 I N -0.272 120.534 120.570 0.393 0.000 2.145 563 I HA -0.405 3.764 4.170 -0.001 0.000 0.244 563 I C 1.743 178.055 176.117 0.325 0.000 1.075 563 I CA 1.776 63.325 61.300 0.414 0.000 1.332 563 I CB -0.410 37.742 38.000 0.254 0.000 1.033 563 I HN 0.433 nan 8.210 nan 0.000 0.410 564 N N 0.091 118.936 118.700 0.241 0.000 2.515 564 N HA -0.037 4.703 4.740 -0.001 0.000 0.185 564 N C 1.398 177.043 175.510 0.225 0.000 1.109 564 N CA 0.627 53.779 53.050 0.171 0.000 0.903 564 N CB 0.059 38.589 38.487 0.071 0.000 0.969 564 N HN 0.233 nan 8.380 nan 0.000 0.450 565 S N 0.218 116.122 115.700 0.340 0.000 2.556 565 S HA 0.132 4.601 4.470 -0.001 0.000 0.216 565 S C 1.478 176.327 174.600 0.414 0.000 0.970 565 S CA -0.374 58.047 58.200 0.367 0.000 0.912 565 S CB 0.362 63.779 63.200 0.363 0.000 0.790 565 S HN 0.135 nan 8.310 nan 0.000 0.504 566 L N 1.342 122.753 121.223 0.312 0.000 2.004 566 L HA 0.132 4.471 4.340 -0.001 0.000 0.205 566 L C 1.958 178.719 176.870 -0.181 0.000 1.089 566 L CA 1.762 56.433 54.840 -0.283 0.000 0.756 566 L CB -1.321 40.446 42.059 -0.486 0.000 0.900 566 L HN 0.330 nan 8.230 nan 0.000 0.440 567 Y N 0.597 120.851 120.300 -0.077 0.000 2.219 567 Y HA -0.271 4.278 4.550 -0.001 0.000 0.283 567 Y C 2.098 178.020 175.900 0.037 0.000 1.191 567 Y CA 2.074 60.186 58.100 0.020 0.000 1.199 567 Y CB -0.855 37.747 38.460 0.237 0.000 0.972 567 Y HN 0.300 nan 8.280 nan 0.000 0.527 568 G N -0.184 108.688 108.800 0.121 0.000 2.459 568 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.217 568 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.217 568 G C 1.839 176.656 174.900 -0.138 0.000 1.183 568 G CA 1.286 46.412 45.100 0.044 0.000 0.776 568 G HN 0.648 nan 8.290 nan 0.000 0.552 569 A N 0.399 123.078 122.820 -0.235 0.000 1.902 569 A HA 0.097 4.416 4.320 -0.001 0.000 0.217 569 A C 2.461 179.770 177.584 -0.457 0.000 1.181 569 A CA 1.309 53.038 52.037 -0.512 0.000 0.623 569 A CB -0.418 18.078 19.000 -0.841 0.000 0.818 569 A HN 0.361 nan 8.150 nan 0.000 0.443 570 L N -0.752 120.283 121.223 -0.313 0.000 2.083 570 L HA -0.119 4.221 4.340 -0.001 0.000 0.209 570 L C 2.369 179.184 176.870 -0.092 0.000 1.083 570 L CA 1.015 55.809 54.840 -0.077 0.000 0.752 570 L CB -0.539 41.416 42.059 -0.173 0.000 0.899 570 L HN 0.513 nan 8.230 nan 0.000 0.433 571 G N -0.483 108.111 108.800 -0.343 0.000 3.279 571 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.230 571 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.230 571 G C 0.251 175.158 174.900 0.011 0.000 1.230 571 G CA -0.184 44.812 45.100 -0.172 0.000 0.891 571 G HN 0.241 nan 8.290 nan 0.000 0.518 572 N N 0.436 119.163 118.700 0.045 0.000 2.407 572 N HA 0.145 4.885 4.740 -0.001 0.000 0.277 572 N C 1.171 176.537 175.510 -0.240 0.000 0.995 572 N CA -0.573 52.458 53.050 -0.031 0.000 0.903 572 N CB 2.199 40.706 38.487 0.033 0.000 1.218 572 N HN -0.175 nan 8.380 nan 0.000 0.487 573 V N 3.618 123.150 119.914 -0.636 0.000 2.453 573 V HA -0.218 3.901 4.120 -0.001 0.000 0.252 573 V C 0.978 176.712 176.094 -0.600 0.000 1.068 573 V CA 1.760 63.407 62.300 -1.088 0.000 1.070 573 V CB -0.403 30.876 31.823 -0.908 0.000 0.664 573 V HN 0.716 nan 8.190 nan 0.000 0.461 574 W N -2.458 118.792 121.300 -0.084 0.000 3.256 574 W HA 0.254 4.914 4.660 -0.001 0.000 0.269 574 W C 0.657 177.286 176.519 0.184 0.000 1.310 574 W CA -0.785 56.590 57.345 0.051 0.000 1.673 574 W CB -0.181 29.298 29.460 0.032 0.000 1.115 574 W HN 0.054 nan 8.180 nan 0.000 0.686 575 F N 2.817 122.863 119.950 0.160 0.000 2.504 575 F HA 0.122 4.648 4.527 -0.001 0.000 0.369 575 F C 1.997 177.905 175.800 0.180 0.000 1.082 575 F CA -1.209 56.905 58.000 0.191 0.000 1.216 575 F CB 0.620 39.727 39.000 0.178 0.000 1.108 575 F HN -0.077 nan 8.300 nan 0.000 0.554 576 R N 4.135 124.541 120.500 -0.156 0.000 2.119 576 R HA -0.238 4.102 4.340 -0.001 0.000 0.246 576 R C 0.652 176.530 176.300 -0.704 0.000 1.146 576 R CA 2.180 58.014 56.100 -0.443 0.000 0.962 576 R CB -0.471 29.468 30.300 -0.603 0.000 0.863 576 R HN 0.676 nan 8.270 nan 0.000 0.442 577 Y N -0.773 119.026 120.300 -0.835 0.000 2.470 577 Y HA 0.094 4.643 4.550 -0.001 0.000 0.284 577 Y C -0.046 175.678 175.900 -0.292 0.000 1.188 577 Y CA -0.790 56.994 58.100 -0.526 0.000 1.269 577 Y CB -0.729 37.367 38.460 -0.607 0.000 1.094 577 Y HN 0.091 nan 8.280 nan 0.000 0.518 578 Y N 2.335 122.494 120.300 -0.236 0.000 2.497 578 Y HA 0.228 4.778 4.550 -0.001 0.000 0.334 578 Y C -0.026 175.686 175.900 -0.313 0.000 1.199 578 Y CA -0.057 57.925 58.100 -0.198 0.000 1.425 578 Y CB 0.517 38.810 38.460 -0.279 0.000 1.291 578 Y HN 0.159 nan 8.280 nan 0.000 0.562 579 D N 6.341 125.991 120.400 -1.250 0.000 2.591 579 D HA -0.007 4.632 4.640 -0.001 0.000 0.222 579 D C 0.047 175.709 176.300 -1.063 0.000 1.360 579 D CA -0.449 52.940 54.000 -1.018 0.000 0.967 579 D CB 1.414 41.971 40.800 -0.405 0.000 1.456 579 D HN 0.726 nan 8.370 nan 0.000 0.588 580 L N 4.859 125.455 121.223 -1.046 0.000 2.189 580 L HA -0.128 4.212 4.340 -0.001 0.000 0.214 580 L C 2.274 178.903 176.870 -0.401 0.000 1.097 580 L CA 1.819 56.273 54.840 -0.644 0.000 0.764 580 L CB -0.180 41.699 42.059 -0.301 0.000 0.900 580 L HN 0.412 nan 8.230 nan 0.000 0.436 581 R N -1.006 119.309 120.500 -0.308 0.000 2.057 581 R HA -0.087 4.253 4.340 -0.001 0.000 0.229 581 R C 2.029 178.242 176.300 -0.145 0.000 1.136 581 R CA 1.302 57.288 56.100 -0.190 0.000 0.952 581 R CB -0.641 29.567 30.300 -0.155 0.000 0.848 581 R HN 0.448 nan 8.270 nan 0.000 0.430 582 N N 1.310 119.924 118.700 -0.144 0.000 2.018 582 N HA -0.196 4.543 4.740 -0.001 0.000 0.196 582 N C 1.829 177.264 175.510 -0.126 0.000 1.043 582 N CA 1.775 54.785 53.050 -0.067 0.000 0.856 582 N CB -0.662 37.754 38.487 -0.118 0.000 1.042 582 N HN 0.213 nan 8.380 nan 0.000 0.423 583 A N 0.545 123.205 122.820 -0.267 0.000 1.884 583 A HA -0.205 4.115 4.320 -0.001 0.000 0.219 583 A C 2.416 179.957 177.584 -0.071 0.000 1.197 583 A CA 2.557 54.436 52.037 -0.264 0.000 0.637 583 A CB -1.331 17.316 19.000 -0.590 0.000 0.827 583 A HN 0.395 nan 8.150 nan 0.000 0.450 584 T N -0.042 114.456 114.554 -0.094 0.000 2.915 584 T HA 0.069 4.419 4.350 -0.001 0.000 0.269 584 T C 2.133 176.860 174.700 0.045 0.000 1.071 584 T CA 1.313 63.456 62.100 0.072 0.000 1.132 584 T CB -0.415 68.470 68.868 0.029 0.000 0.878 584 T HN 0.639 nan 8.240 nan 0.000 0.479 585 A N 1.664 124.489 122.820 0.009 0.000 1.851 585 A HA -0.069 4.251 4.320 -0.001 0.000 0.216 585 A C 2.185 179.801 177.584 0.053 0.000 1.195 585 A CA 1.384 53.447 52.037 0.044 0.000 0.622 585 A CB -0.823 18.246 19.000 0.115 0.000 0.831 585 A HN 0.513 nan 8.150 nan 0.000 0.444 586 I N -1.148 119.414 120.570 -0.014 0.000 2.052 586 I HA -0.288 3.882 4.170 -0.001 0.000 0.235 586 I C 2.718 178.737 176.117 -0.163 0.000 1.046 586 I CA 2.063 63.286 61.300 -0.130 0.000 1.308 586 I CB -1.117 36.760 38.000 -0.205 0.000 1.031 586 I HN 0.393 nan 8.210 nan 0.000 0.395 587 T N 0.174 114.633 114.554 -0.157 0.000 2.721 587 T HA -0.233 4.117 4.350 -0.001 0.000 0.268 587 T C 1.838 176.554 174.700 0.027 0.000 1.038 587 T CA 2.648 64.686 62.100 -0.102 0.000 1.145 587 T CB -0.492 68.438 68.868 0.104 0.000 0.858 587 T HN 0.676 nan 8.240 nan 0.000 0.459 588 T N -1.186 113.395 114.554 0.045 0.000 2.942 588 T HA 0.023 4.372 4.350 -0.001 0.000 0.265 588 T C 1.642 176.348 174.700 0.009 0.000 1.062 588 T CA 0.807 62.919 62.100 0.019 0.000 1.139 588 T CB -0.701 68.155 68.868 -0.020 0.000 0.883 588 T HN 0.360 nan 8.240 nan 0.000 0.468 589 F N 3.015 122.903 119.950 -0.104 0.000 2.051 589 F HA 0.133 4.659 4.527 -0.001 0.000 0.296 589 F C 2.535 178.274 175.800 -0.102 0.000 1.122 589 F CA 1.252 59.174 58.000 -0.129 0.000 1.201 589 F CB -1.094 37.816 39.000 -0.151 0.000 0.978 589 F HN 0.237 nan 8.300 nan 0.000 0.472 590 G N -0.057 108.959 108.800 0.361 0.000 2.631 590 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.219 590 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.219 590 G C 1.569 176.582 174.900 0.188 0.000 1.214 590 G CA 1.099 46.371 45.100 0.287 0.000 0.785 590 G HN 0.474 nan 8.290 nan 0.000 0.596 591 Q N -0.680 119.200 119.800 0.134 0.000 2.182 591 Q HA -0.277 4.062 4.340 -0.001 0.000 0.213 591 Q C 2.466 178.437 176.000 -0.047 0.000 1.000 591 Q CA 1.900 57.742 55.803 0.064 0.000 0.889 591 Q CB -0.303 28.448 28.738 0.023 0.000 0.932 591 Q HN 0.638 nan 8.270 nan 0.000 0.415 592 M N -0.256 119.295 119.600 -0.082 0.000 2.074 592 M HA -0.172 4.308 4.480 -0.001 0.000 0.259 592 M C 2.242 178.547 176.300 0.008 0.000 1.079 592 M CA 1.735 56.965 55.300 -0.116 0.000 1.119 592 M CB -0.351 32.057 32.600 -0.320 0.000 1.297 592 M HN 0.206 nan 8.290 nan 0.000 0.416 593 A N 1.292 124.078 122.820 -0.056 0.000 1.909 593 A HA -0.274 4.046 4.320 -0.001 0.000 0.221 593 A C 2.146 179.905 177.584 0.291 0.000 1.223 593 A CA 2.153 54.216 52.037 0.043 0.000 0.658 593 A CB -1.554 17.458 19.000 0.020 0.000 0.831 593 A HN 0.673 nan 8.150 nan 0.000 0.462 594 L N 0.138 121.505 121.223 0.240 0.000 2.012 594 L HA -0.223 4.117 4.340 -0.001 0.000 0.210 594 L C 2.765 179.794 176.870 0.265 0.000 1.073 594 L CA 2.703 57.720 54.840 0.295 0.000 0.748 594 L CB -1.112 41.135 42.059 0.313 0.000 0.891 594 L HN 0.744 nan 8.230 nan 0.000 0.431 595 Q N -1.722 118.152 119.800 0.123 0.000 2.389 595 Q HA -0.198 4.141 4.340 -0.001 0.000 0.204 595 Q C 2.063 178.133 176.000 0.115 0.000 0.944 595 Q CA 0.710 56.537 55.803 0.040 0.000 0.908 595 Q CB -0.500 28.108 28.738 -0.217 0.000 1.002 595 Q HN 0.621 nan 8.270 nan 0.000 0.493 596 W N 2.225 123.550 121.300 0.042 0.000 2.352 596 W HA -0.230 4.429 4.660 -0.001 0.000 0.322 596 W C 1.757 178.349 176.519 0.121 0.000 1.208 596 W CA 1.031 58.429 57.345 0.088 0.000 1.286 596 W CB -0.469 29.078 29.460 0.144 0.000 1.167 596 W HN 0.162 nan 8.180 nan 0.000 0.469 597 I N 2.122 123.003 120.570 0.519 0.000 2.264 597 I HA -0.313 3.856 4.170 -0.001 0.000 0.248 597 I C 2.618 178.737 176.117 0.004 0.000 1.111 597 I CA 2.497 63.928 61.300 0.218 0.000 1.382 597 I CB -1.022 37.078 38.000 0.167 0.000 1.060 597 I HN 0.294 nan 8.210 nan 0.000 0.418 598 E N 0.600 120.838 120.200 0.063 0.000 2.065 598 E HA -0.352 3.997 4.350 -0.001 0.000 0.201 598 E C 2.477 179.060 176.600 -0.027 0.000 1.016 598 E CA 2.025 58.441 56.400 0.027 0.000 0.818 598 E CB -0.472 29.275 29.700 0.078 0.000 0.749 598 E HN 0.502 nan 8.360 nan 0.000 0.453 599 R N 0.462 120.917 120.500 -0.075 0.000 2.096 599 R HA -0.189 4.150 4.340 -0.001 0.000 0.229 599 R C 2.353 178.570 176.300 -0.139 0.000 1.134 599 R CA 1.911 57.938 56.100 -0.123 0.000 0.917 599 R CB -0.187 29.982 30.300 -0.218 0.000 0.832 599 R HN 0.018 nan 8.270 nan 0.000 0.430 600 K N 0.300 120.551 120.400 -0.248 0.000 2.097 600 K HA -0.198 4.121 4.320 -0.001 0.000 0.214 600 K C 2.073 178.630 176.600 -0.072 0.000 1.052 600 K CA 1.652 57.819 56.287 -0.199 0.000 0.932 600 K CB -0.819 31.543 32.500 -0.231 0.000 0.716 600 K HN 0.175 nan 8.250 nan 0.000 0.455 601 V N 2.192 122.047 119.914 -0.098 0.000 2.222 601 V HA -0.285 3.834 4.120 -0.001 0.000 0.240 601 V C 2.164 178.292 176.094 0.057 0.000 1.040 601 V CA 1.947 64.193 62.300 -0.090 0.000 0.988 601 V CB -0.577 31.155 31.823 -0.152 0.000 0.633 601 V HN 0.353 nan 8.190 nan 0.000 0.452 602 N N -0.184 118.567 118.700 0.085 0.000 2.089 602 N HA -0.302 4.438 4.740 -0.001 0.000 0.198 602 N C 1.855 177.491 175.510 0.210 0.000 1.017 602 N CA 2.308 55.485 53.050 0.212 0.000 0.880 602 N CB -0.413 38.152 38.487 0.130 0.000 1.042 602 N HN 0.696 nan 8.380 nan 0.000 0.446 603 E N -0.093 120.168 120.200 0.102 0.000 2.026 603 E HA -0.279 4.071 4.350 -0.001 0.000 0.206 603 E C 2.058 178.734 176.600 0.126 0.000 1.028 603 E CA 1.613 58.054 56.400 0.069 0.000 0.845 603 E CB -0.404 29.295 29.700 -0.002 0.000 0.772 603 E HN 0.421 nan 8.360 nan 0.000 0.462 604 Y N 1.251 121.546 120.300 -0.007 0.000 2.040 604 Y HA -0.309 4.241 4.550 -0.001 0.000 0.275 604 Y C 1.961 177.881 175.900 0.033 0.000 1.171 604 Y CA 2.098 60.197 58.100 -0.003 0.000 1.123 604 Y CB -0.672 37.769 38.460 -0.033 0.000 0.963 604 Y HN 0.109 nan 8.280 nan 0.000 0.493 605 L N 0.831 122.353 121.223 0.498 0.000 1.924 605 L HA -0.367 3.973 4.340 -0.001 0.000 0.222 605 L C 2.409 179.449 176.870 0.283 0.000 1.081 605 L CA 2.265 57.296 54.840 0.318 0.000 0.780 605 L CB -1.195 40.846 42.059 -0.030 0.000 0.891 605 L HN 0.499 nan 8.230 nan 0.000 0.434 606 N N 0.020 119.060 118.700 0.567 0.000 2.503 606 N HA -0.277 4.463 4.740 -0.001 0.000 0.189 606 N C 1.475 177.092 175.510 0.178 0.000 1.048 606 N CA 1.394 54.719 53.050 0.459 0.000 0.905 606 N CB -0.411 38.229 38.487 0.255 0.000 0.951 606 N HN 0.591 nan 8.380 nan 0.000 0.446 607 E N 0.996 121.252 120.200 0.093 0.000 2.051 607 E HA -0.080 4.269 4.350 -0.001 0.000 0.189 607 E C 1.824 178.399 176.600 -0.042 0.000 0.979 607 E CA 0.497 56.893 56.400 -0.007 0.000 0.803 607 E CB 0.067 29.723 29.700 -0.073 0.000 0.761 607 E HN 0.160 nan 8.360 nan 0.000 0.451 608 V N 0.656 120.511 119.914 -0.098 0.000 2.626 608 V HA -0.172 3.947 4.120 -0.001 0.000 0.252 608 V C 1.802 177.916 176.094 0.033 0.000 1.067 608 V CA 1.615 63.863 62.300 -0.087 0.000 1.081 608 V CB -0.229 31.495 31.823 -0.165 0.000 0.686 608 V HN 0.525 nan 8.190 nan 0.000 0.468 609 C N 0.527 119.877 119.300 0.083 0.000 2.799 609 C HA 0.569 5.029 4.460 -0.001 0.000 0.267 609 C C 1.817 176.871 174.990 0.106 0.000 1.257 609 C CA -0.082 59.007 59.018 0.118 0.000 1.702 609 C CB -0.798 27.051 27.740 0.181 0.000 1.934 609 C HN 0.833 nan 8.230 nan 0.000 0.594 610 G N 2.302 111.151 108.800 0.081 0.000 2.198 610 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.257 610 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.257 610 G C -0.064 174.872 174.900 0.060 0.000 1.042 610 G CA 0.572 45.706 45.100 0.056 0.000 0.791 610 G HN 0.580 nan 8.290 nan 0.000 0.502 611 T N -1.301 113.304 114.554 0.085 0.000 2.940 611 T HA 0.742 5.091 4.350 -0.001 0.000 0.288 611 T C -0.558 174.151 174.700 0.016 0.000 1.033 611 T CA -0.967 61.160 62.100 0.045 0.000 1.033 611 T CB 2.777 71.672 68.868 0.044 0.000 1.079 611 T HN 0.126 nan 8.240 nan 0.000 0.496 612 E N 0.502 120.688 120.200 -0.023 0.000 2.202 612 E HA 0.474 4.824 4.350 -0.001 0.000 0.272 612 E C 0.880 177.439 176.600 -0.068 0.000 0.951 612 E CA -0.538 55.844 56.400 -0.030 0.000 0.813 612 E CB 1.328 31.013 29.700 -0.024 0.000 1.151 612 E HN 1.080 nan 8.360 nan 0.000 0.398 613 G N 2.664 111.430 108.800 -0.055 0.000 2.424 613 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.290 613 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.290 613 G C 0.130 174.943 174.900 -0.145 0.000 0.912 613 G CA 0.770 45.826 45.100 -0.073 0.000 1.142 613 G HN 0.285 nan 8.290 nan 0.000 0.501 614 E N 0.158 120.208 120.200 -0.250 0.000 2.180 614 E HA 0.560 4.909 4.350 -0.001 0.000 0.283 614 E C 0.716 177.038 176.600 -0.464 0.000 1.061 614 E CA 0.084 56.157 56.400 -0.545 0.000 0.861 614 E CB 0.581 29.559 29.700 -1.204 0.000 1.056 614 E HN 0.627 nan 8.360 nan 0.000 0.407 615 A N 5.712 128.357 122.820 -0.291 0.000 2.897 615 A HA 0.103 4.423 4.320 -0.001 0.000 0.287 615 A C 0.137 177.672 177.584 -0.082 0.000 1.748 615 A CA -0.012 51.954 52.037 -0.119 0.000 1.397 615 A CB -0.673 18.292 19.000 -0.057 0.000 1.049 615 A HN 0.639 nan 8.150 nan 0.000 0.592 616 F N 1.667 121.627 119.950 0.017 0.000 2.243 616 F HA 0.049 4.575 4.527 -0.001 0.000 0.287 616 F C 1.352 177.149 175.800 -0.004 0.000 1.067 616 F CA 0.330 58.340 58.000 0.017 0.000 1.304 616 F CB -0.204 38.806 39.000 0.016 0.000 1.087 616 F HN 0.189 nan 8.300 nan 0.000 0.513 617 V N 3.329 123.359 119.914 0.193 0.000 2.377 617 V HA -0.088 4.031 4.120 -0.001 0.000 0.254 617 V C 1.592 177.691 176.094 0.010 0.000 1.060 617 V CA 0.022 62.371 62.300 0.082 0.000 1.068 617 V CB -0.097 31.762 31.823 0.059 0.000 1.113 617 V HN 0.340 nan 8.190 nan 0.000 0.484 618 L N 4.484 125.665 121.223 -0.071 0.000 1.971 618 L HA -0.104 4.235 4.340 -0.001 0.000 0.215 618 L C 0.710 177.386 176.870 -0.323 0.000 1.072 618 L CA 2.193 56.845 54.840 -0.314 0.000 0.758 618 L CB 0.027 41.732 42.059 -0.590 0.000 0.889 618 L HN 0.711 nan 8.230 nan 0.000 0.433 619 Y N -1.882 118.154 120.300 -0.440 0.000 2.705 619 Y HA 0.545 5.094 4.550 -0.001 0.000 0.332 619 Y C -0.463 175.376 175.900 -0.103 0.000 1.221 619 Y CA -0.348 57.489 58.100 -0.439 0.000 1.059 619 Y CB 1.590 39.432 38.460 -1.029 0.000 1.298 619 Y HN -0.077 nan 8.280 nan 0.000 0.459 620 G N 1.700 110.071 108.800 -0.716 0.000 2.698 620 G HA2 0.496 4.456 3.960 -0.001 0.000 0.293 620 G HA3 0.496 4.456 3.960 -0.001 0.000 0.293 620 G C -2.591 171.836 174.900 -0.788 0.000 1.437 620 G CA -0.598 44.254 45.100 -0.413 0.000 0.852 620 G HN 0.590 nan 8.290 nan 0.000 0.499 621 D N -0.454 119.780 120.400 -0.276 0.000 2.795 621 D HA 0.430 5.070 4.640 -0.001 0.000 0.206 621 D C 1.126 177.407 176.300 -0.031 0.000 1.278 621 D CA 0.592 54.455 54.000 -0.230 0.000 0.839 621 D CB 1.459 42.204 40.800 -0.092 0.000 1.700 621 D HN 0.489 nan 8.370 nan 0.000 0.549 622 T N 2.900 117.432 114.554 -0.036 0.000 12.843 622 T HA -0.331 4.019 4.350 -0.001 0.000 0.419 622 T C 0.653 175.373 174.700 0.033 0.000 1.441 622 T CA 2.549 64.649 62.100 -0.001 0.000 2.372 622 T CB -1.059 67.776 68.868 -0.056 0.000 2.829 622 T HN 0.702 nan 8.240 nan 0.000 0.722 623 D N 1.044 121.460 120.400 0.027 0.000 2.540 623 D HA 0.345 4.985 4.640 -0.001 0.000 0.229 623 D C -0.027 176.325 176.300 0.086 0.000 1.250 623 D CA 0.081 54.114 54.000 0.055 0.000 0.817 623 D CB 0.145 40.948 40.800 0.005 0.000 1.060 623 D HN 0.560 nan 8.370 nan 0.000 0.508 624 S N 0.019 115.778 115.700 0.099 0.000 2.638 624 S HA 0.830 5.299 4.470 -0.001 0.000 0.298 624 S C -0.031 174.616 174.600 0.078 0.000 1.111 624 S CA -0.799 57.448 58.200 0.079 0.000 1.027 624 S CB 1.762 65.091 63.200 0.215 0.000 1.064 624 S HN 0.164 nan 8.310 nan 0.000 0.525 625 I N 0.660 121.163 120.570 -0.111 0.000 2.918 625 I HA 0.421 4.590 4.170 -0.001 0.000 0.301 625 I C -1.968 173.994 176.117 -0.258 0.000 1.312 625 I CA -0.863 60.445 61.300 0.014 0.000 1.007 625 I CB 2.189 40.211 38.000 0.037 0.000 1.281 625 I HN 0.595 nan 8.210 nan 0.000 0.440 626 Y N 3.344 123.701 120.300 0.095 0.000 2.332 626 Y HA 0.547 5.096 4.550 -0.001 0.000 0.325 626 Y C -0.554 175.358 175.900 0.021 0.000 1.054 626 Y CA -1.079 57.074 58.100 0.088 0.000 1.119 626 Y CB 1.920 40.387 38.460 0.012 0.000 1.168 626 Y HN 0.131 nan 8.280 nan 0.000 0.439 627 V N 1.216 121.243 119.914 0.188 0.000 2.435 627 V HA 0.513 4.633 4.120 -0.001 0.000 0.290 627 V C 0.306 176.468 176.094 0.112 0.000 1.030 627 V CA -1.142 61.226 62.300 0.112 0.000 0.881 627 V CB 1.584 33.440 31.823 0.055 0.000 0.983 627 V HN 0.806 nan 8.190 nan 0.000 0.445 628 S N 3.737 119.516 115.700 0.133 0.000 2.516 628 S HA 0.386 4.856 4.470 -0.001 0.000 0.282 628 S C 1.101 175.764 174.600 0.106 0.000 1.286 628 S CA 0.152 58.467 58.200 0.190 0.000 1.066 628 S CB 1.159 64.540 63.200 0.303 0.000 0.884 628 S HN 1.262 nan 8.310 nan 0.000 0.491 629 A N 3.892 126.756 122.820 0.074 0.000 2.132 629 A HA 0.089 4.408 4.320 -0.001 0.000 0.213 629 A C 1.742 179.288 177.584 -0.062 0.000 1.154 629 A CA 0.552 52.534 52.037 -0.091 0.000 0.753 629 A CB -0.547 18.359 19.000 -0.156 0.000 0.826 629 A HN 0.974 nan 8.150 nan 0.000 0.469 630 D N 0.661 121.127 120.400 0.110 0.000 2.370 630 D HA -0.284 4.355 4.640 -0.001 0.000 0.190 630 D C 1.576 177.919 176.300 0.072 0.000 1.019 630 D CA 2.294 56.381 54.000 0.144 0.000 0.869 630 D CB -0.093 40.826 40.800 0.197 0.000 0.944 630 D HN 0.408 nan 8.370 nan 0.000 0.456 631 K N 0.150 120.636 120.400 0.144 0.000 2.211 631 K HA 0.003 4.322 4.320 -0.001 0.000 0.203 631 K C 2.225 178.859 176.600 0.056 0.000 1.050 631 K CA 0.268 56.652 56.287 0.161 0.000 0.945 631 K CB -0.014 32.720 32.500 0.390 0.000 0.732 631 K HN 0.258 nan 8.250 nan 0.000 0.451 632 I N 0.517 121.048 120.570 -0.064 0.000 2.090 632 I HA -0.290 3.880 4.170 -0.001 0.000 0.236 632 I C 1.814 177.896 176.117 -0.059 0.000 1.064 632 I CA 0.876 62.108 61.300 -0.113 0.000 1.324 632 I CB -0.368 37.436 38.000 -0.327 0.000 1.044 632 I HN 0.067 nan 8.210 nan 0.000 0.399 633 I N 1.195 121.647 120.570 -0.198 0.000 2.113 633 I HA -0.377 3.793 4.170 -0.001 0.000 0.242 633 I C 2.175 178.234 176.117 -0.097 0.000 1.057 633 I CA 2.023 63.167 61.300 -0.260 0.000 1.314 633 I CB -1.496 36.057 38.000 -0.744 0.000 1.022 633 I HN 0.295 nan 8.210 nan 0.000 0.408 634 D N 0.199 120.561 120.400 -0.062 0.000 2.182 634 D HA -0.212 4.428 4.640 -0.001 0.000 0.201 634 D C 2.134 178.459 176.300 0.042 0.000 0.986 634 D CA 1.057 55.060 54.000 0.005 0.000 0.847 634 D CB -0.102 40.715 40.800 0.029 0.000 0.942 634 D HN 0.181 nan 8.370 nan 0.000 0.467 635 K N 0.080 120.514 120.400 0.057 0.000 2.103 635 K HA -0.092 4.227 4.320 -0.001 0.000 0.207 635 K C 1.462 178.113 176.600 0.085 0.000 1.048 635 K CA 1.064 57.399 56.287 0.079 0.000 0.930 635 K CB -0.204 32.355 32.500 0.100 0.000 0.716 635 K HN 0.058 nan 8.250 nan 0.000 0.444 636 V N -0.839 119.141 119.914 0.110 0.000 3.307 636 V HA 0.260 4.380 4.120 -0.001 0.000 0.253 636 V C 0.498 176.658 176.094 0.110 0.000 1.149 636 V CA 0.540 62.907 62.300 0.112 0.000 1.112 636 V CB -0.114 31.806 31.823 0.162 0.000 0.777 636 V HN 0.570 nan 8.190 nan 0.000 0.464 637 G N 0.811 109.676 108.800 0.108 0.000 3.436 637 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.685 637 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.685 637 G C 0.120 175.113 174.900 0.156 0.000 1.039 637 G CA 0.145 45.303 45.100 0.097 0.000 0.879 637 G HN 0.301 nan 8.290 nan 0.000 0.478 638 E N 0.813 121.060 120.200 0.078 0.000 2.130 638 E HA -0.200 4.149 4.350 -0.001 0.000 0.196 638 E C 2.721 179.430 176.600 0.182 0.000 0.998 638 E CA 2.182 58.618 56.400 0.061 0.000 0.806 638 E CB -0.004 29.721 29.700 0.041 0.000 0.738 638 E HN 0.807 nan 8.360 nan 0.000 0.459 639 S N 0.655 116.440 115.700 0.141 0.000 2.383 639 S HA -0.212 4.257 4.470 -0.001 0.000 0.229 639 S C 1.801 176.476 174.600 0.124 0.000 1.030 639 S CA 1.336 59.608 58.200 0.121 0.000 1.002 639 S CB -0.265 62.981 63.200 0.078 0.000 0.829 639 S HN 0.061 nan 8.310 nan 0.000 0.467 640 K N 0.948 121.427 120.400 0.131 0.000 2.519 640 K HA 0.084 4.404 4.320 -0.001 0.000 0.196 640 K C -0.741 175.726 176.600 -0.222 0.000 1.041 640 K CA 0.346 56.620 56.287 -0.021 0.000 0.954 640 K CB -0.503 31.948 32.500 -0.081 0.000 0.774 640 K HN 0.351 nan 8.250 nan 0.000 0.480 641 F N 1.458 121.301 119.950 -0.178 0.000 2.404 641 F HA 0.371 4.898 4.527 -0.001 0.000 0.354 641 F C 0.258 176.004 175.800 -0.090 0.000 1.122 641 F CA -0.899 56.885 58.000 -0.359 0.000 1.080 641 F CB 1.150 40.013 39.000 -0.228 0.000 1.131 641 F HN -0.325 nan 8.300 nan 0.000 0.471 642 R N 2.861 123.482 120.500 0.202 0.000 2.205 642 R HA 0.287 4.627 4.340 -0.001 0.000 0.342 642 R C -0.949 175.556 176.300 0.343 0.000 1.058 642 R CA -0.384 55.900 56.100 0.306 0.000 0.904 642 R CB 0.478 30.938 30.300 0.265 0.000 1.089 642 R HN 0.867 nan 8.270 nan 0.000 0.471 643 D N 0.555 121.063 120.400 0.180 0.000 8.797 643 D HA -0.183 4.456 4.640 -0.001 0.000 0.267 643 D C 0.884 177.204 176.300 0.034 0.000 2.451 643 D CA 0.936 54.985 54.000 0.081 0.000 2.310 643 D CB 0.058 40.886 40.800 0.047 0.000 0.927 643 D HN 0.558 nan 8.370 nan 0.000 0.634 644 T N 2.827 117.299 114.554 -0.135 0.000 2.721 644 T HA -0.337 4.012 4.350 -0.001 0.000 0.268 644 T C 1.680 175.827 174.700 -0.922 0.000 1.038 644 T CA 2.326 64.150 62.100 -0.459 0.000 1.145 644 T CB -0.325 68.234 68.868 -0.515 0.000 0.858 644 T HN 0.524 nan 8.240 nan 0.000 0.459 645 N N 0.358 118.681 118.700 -0.629 0.000 2.142 645 N HA -0.194 4.546 4.740 -0.001 0.000 0.186 645 N C 1.785 177.115 175.510 -0.300 0.000 1.023 645 N CA 2.160 54.839 53.050 -0.619 0.000 0.852 645 N CB -0.925 37.356 38.487 -0.344 0.000 0.998 645 N HN 0.824 nan 8.380 nan 0.000 0.424 646 H N -0.534 118.459 119.070 -0.129 0.000 2.330 646 H HA -0.278 4.278 4.556 -0.001 0.000 0.278 646 H C 2.011 177.575 175.328 0.394 0.000 1.141 646 H CA 3.210 59.343 56.048 0.141 0.000 1.145 646 H CB -0.616 29.306 29.762 0.266 0.000 1.363 646 H HN 0.574 nan 8.280 nan 0.000 0.468 647 W N 0.765 122.419 121.300 0.590 0.000 2.358 647 W HA -0.095 4.564 4.660 -0.001 0.000 0.303 647 W C 2.033 178.757 176.519 0.341 0.000 1.208 647 W CA 0.993 58.653 57.345 0.525 0.000 1.274 647 W CB -1.188 28.165 29.460 -0.179 0.000 1.138 647 W HN 0.039 nan 8.180 nan 0.000 0.515 648 V N 2.476 122.564 119.914 0.292 0.000 2.317 648 V HA -0.408 3.711 4.120 -0.001 0.000 0.251 648 V C 1.963 178.221 176.094 0.274 0.000 1.065 648 V CA 2.620 65.084 62.300 0.274 0.000 1.049 648 V CB -1.333 30.461 31.823 -0.048 0.000 0.651 648 V HN 0.149 nan 8.190 nan 0.000 0.450 649 D N -0.537 120.019 120.400 0.260 0.000 2.117 649 D HA -0.161 4.478 4.640 -0.001 0.000 0.198 649 D C 1.860 178.379 176.300 0.365 0.000 0.982 649 D CA 1.209 55.351 54.000 0.236 0.000 0.828 649 D CB -0.313 40.592 40.800 0.175 0.000 0.967 649 D HN 0.410 nan 8.370 nan 0.000 0.464 650 F N 1.859 121.991 119.950 0.304 0.000 2.011 650 F HA -0.214 4.312 4.527 -0.001 0.000 0.296 650 F C 1.804 177.784 175.800 0.302 0.000 1.144 650 F CA 1.448 59.646 58.000 0.330 0.000 1.185 650 F CB -0.957 38.335 39.000 0.487 0.000 0.961 650 F HN -0.069 nan 8.300 nan 0.000 0.485 651 L N 0.220 121.446 121.223 0.004 0.000 1.990 651 L HA -0.263 4.076 4.340 -0.001 0.000 0.213 651 L C 2.355 179.264 176.870 0.064 0.000 1.072 651 L CA 1.961 56.671 54.840 -0.218 0.000 0.755 651 L CB -1.188 40.795 42.059 -0.127 0.000 0.889 651 L HN 0.293 nan 8.230 nan 0.000 0.432 652 D N 0.342 120.825 120.400 0.140 0.000 2.205 652 D HA -0.297 4.342 4.640 -0.001 0.000 0.190 652 D C 2.104 178.495 176.300 0.152 0.000 1.002 652 D CA 1.909 55.984 54.000 0.125 0.000 0.848 652 D CB 0.025 40.896 40.800 0.119 0.000 0.975 652 D HN -0.094 nan 8.370 nan 0.000 0.449 653 K N -0.575 119.939 120.400 0.189 0.000 2.001 653 K HA -0.168 4.151 4.320 -0.001 0.000 0.214 653 K C 2.063 178.771 176.600 0.181 0.000 1.050 653 K CA 1.458 57.849 56.287 0.174 0.000 0.934 653 K CB -1.373 31.245 32.500 0.197 0.000 0.718 653 K HN 0.330 nan 8.250 nan 0.000 0.443 654 F N 0.883 120.886 119.950 0.087 0.000 2.053 654 F HA -0.375 4.151 4.527 -0.001 0.000 0.295 654 F C 1.954 177.774 175.800 0.034 0.000 1.102 654 F CA 2.565 60.593 58.000 0.046 0.000 1.225 654 F CB -1.132 37.805 39.000 -0.104 0.000 0.961 654 F HN 0.127 nan 8.300 nan 0.000 0.495 655 A N -0.115 122.984 122.820 0.464 0.000 1.997 655 A HA -0.278 4.042 4.320 -0.001 0.000 0.221 655 A C 2.437 180.133 177.584 0.188 0.000 1.172 655 A CA 2.106 54.368 52.037 0.375 0.000 0.645 655 A CB -0.885 18.287 19.000 0.287 0.000 0.813 655 A HN 0.589 nan 8.150 nan 0.000 0.454 656 R N -0.511 120.057 120.500 0.113 0.000 2.112 656 R HA 0.025 4.365 4.340 -0.001 0.000 0.216 656 R C 0.869 177.176 176.300 0.010 0.000 1.080 656 R CA 1.122 57.261 56.100 0.065 0.000 0.996 656 R CB -0.005 30.332 30.300 0.062 0.000 0.902 656 R HN 0.594 nan 8.270 nan 0.000 0.449 657 E N -0.545 119.633 120.200 -0.036 0.000 2.451 657 E HA 0.061 4.410 4.350 -0.001 0.000 0.194 657 E C 0.460 176.954 176.600 -0.177 0.000 1.027 657 E CA -0.100 56.255 56.400 -0.076 0.000 0.914 657 E CB 0.859 30.527 29.700 -0.054 0.000 1.054 657 E HN 0.062 nan 8.360 nan 0.000 0.461 658 R N -1.073 119.287 120.500 -0.233 0.000 4.897 658 R HA 0.233 4.573 4.340 -0.001 0.000 0.090 658 R C 1.426 177.602 176.300 -0.207 0.000 0.661 658 R CA 0.156 56.071 56.100 -0.309 0.000 1.205 658 R CB -0.252 29.496 30.300 -0.919 0.000 1.492 658 R HN -0.023 nan 8.270 nan 0.000 0.398 659 M N 1.480 120.979 119.600 -0.169 0.000 2.315 659 M HA -0.076 4.404 4.480 -0.001 0.000 0.264 659 M C 1.489 177.695 176.300 -0.157 0.000 1.075 659 M CA 1.903 57.086 55.300 -0.195 0.000 1.093 659 M CB -0.326 32.274 32.600 0.001 0.000 1.251 659 M HN 0.145 nan 8.290 nan 0.000 0.449 660 E N -0.488 119.706 120.200 -0.010 0.000 2.236 660 E HA -0.255 4.094 4.350 -0.001 0.000 0.205 660 E C -0.617 175.980 176.600 -0.004 0.000 1.028 660 E CA 1.894 58.312 56.400 0.029 0.000 0.827 660 E CB -1.664 28.094 29.700 0.097 0.000 0.735 660 E HN 0.454 nan 8.360 nan 0.000 0.470 661 P HA -0.097 nan 4.420 nan 0.000 0.210 661 P C 1.425 178.712 177.300 -0.022 0.000 1.192 661 P CA 1.925 65.019 63.100 -0.010 0.000 0.913 661 P CB -0.206 31.488 31.700 -0.011 0.000 0.774 662 A N -0.522 122.268 122.820 -0.051 0.000 1.917 662 A HA -0.242 4.078 4.320 -0.001 0.000 0.219 662 A C 2.276 179.797 177.584 -0.105 0.000 1.182 662 A CA 1.746 53.760 52.037 -0.039 0.000 0.633 662 A CB -1.836 17.097 19.000 -0.112 0.000 0.819 662 A HN 0.076 nan 8.150 nan 0.000 0.448 663 I N -0.528 119.920 120.570 -0.203 0.000 2.052 663 I HA -0.336 3.833 4.170 -0.001 0.000 0.235 663 I C 2.415 178.411 176.117 -0.201 0.000 1.046 663 I CA 2.314 63.445 61.300 -0.282 0.000 1.308 663 I CB -0.547 37.272 38.000 -0.302 0.000 1.031 663 I HN 0.528 nan 8.210 nan 0.000 0.395 664 D N 0.474 120.853 120.400 -0.035 0.000 2.133 664 D HA -0.230 4.409 4.640 -0.001 0.000 0.195 664 D C 2.307 178.668 176.300 0.101 0.000 0.997 664 D CA 1.578 55.659 54.000 0.135 0.000 0.840 664 D CB 0.040 40.943 40.800 0.171 0.000 0.947 664 D HN 0.160 nan 8.370 nan 0.000 0.452 665 R N -0.308 120.216 120.500 0.041 0.000 2.096 665 R HA -0.087 4.253 4.340 -0.001 0.000 0.240 665 R C 2.607 178.978 176.300 0.119 0.000 1.139 665 R CA 1.335 57.466 56.100 0.051 0.000 0.952 665 R CB -0.770 29.557 30.300 0.046 0.000 0.854 665 R HN 0.295 nan 8.270 nan 0.000 0.436 666 G N 0.676 109.548 108.800 0.120 0.000 2.442 666 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.219 666 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.219 666 G C 1.029 176.257 174.900 0.547 0.000 1.141 666 G CA 0.421 45.680 45.100 0.265 0.000 0.763 666 G HN 0.164 nan 8.290 nan 0.000 0.554 667 F N 1.111 121.254 119.950 0.322 0.000 2.604 667 F HA 0.186 4.713 4.527 -0.001 0.000 0.298 667 F C 2.645 178.605 175.800 0.267 0.000 1.131 667 F CA 0.020 58.176 58.000 0.259 0.000 1.457 667 F CB -0.195 38.980 39.000 0.290 0.000 1.095 667 F HN 0.118 nan 8.300 nan 0.000 0.574 668 R N 0.066 120.782 120.500 0.359 0.000 2.075 668 R HA -0.078 4.261 4.340 -0.001 0.000 0.226 668 R C 1.977 178.372 176.300 0.159 0.000 1.114 668 R CA 1.076 57.266 56.100 0.151 0.000 0.972 668 R CB -0.340 29.945 30.300 -0.025 0.000 0.869 668 R HN 0.283 nan 8.270 nan 0.000 0.437 669 E N 1.017 121.344 120.200 0.212 0.000 2.033 669 E HA -0.292 4.057 4.350 -0.001 0.000 0.199 669 E C 2.019 178.698 176.600 0.131 0.000 1.011 669 E CA 1.811 58.345 56.400 0.223 0.000 0.815 669 E CB -0.191 29.765 29.700 0.425 0.000 0.755 669 E HN 0.230 nan 8.360 nan 0.000 0.451 670 M N 0.938 120.517 119.600 -0.036 0.000 2.073 670 M HA -0.253 4.226 4.480 -0.001 0.000 0.258 670 M C 2.606 178.791 176.300 -0.191 0.000 1.070 670 M CA 1.939 56.897 55.300 -0.569 0.000 1.103 670 M CB -0.402 31.519 32.600 -1.131 0.000 1.321 670 M HN 0.382 nan 8.290 nan 0.000 0.405 671 C N 1.241 120.526 119.300 -0.025 0.000 2.386 671 C HA -0.219 4.241 4.460 -0.001 0.000 0.279 671 C C 2.253 177.275 174.990 0.053 0.000 1.208 671 C CA 2.197 61.242 59.018 0.045 0.000 1.747 671 C CB -1.339 26.503 27.740 0.170 0.000 2.046 671 C HN 0.720 nan 8.230 nan 0.000 0.453 672 E N -1.152 119.096 120.200 0.081 0.000 2.065 672 E HA -0.284 4.065 4.350 -0.001 0.000 0.201 672 E C 2.085 178.760 176.600 0.126 0.000 1.016 672 E CA 2.033 58.485 56.400 0.086 0.000 0.818 672 E CB -0.606 29.143 29.700 0.083 0.000 0.749 672 E HN 0.818 nan 8.360 nan 0.000 0.453 673 Y N 0.829 121.101 120.300 -0.048 0.000 2.102 673 Y HA -0.228 4.321 4.550 -0.001 0.000 0.280 673 Y C 1.847 177.701 175.900 -0.077 0.000 1.178 673 Y CA 1.369 59.434 58.100 -0.060 0.000 1.146 673 Y CB -0.127 38.266 38.460 -0.112 0.000 0.968 673 Y HN 0.032 nan 8.280 nan 0.000 0.504 674 M N 0.714 120.268 119.600 -0.076 0.000 2.530 674 M HA 0.043 4.523 4.480 -0.001 0.000 0.231 674 M C 0.531 176.810 176.300 -0.034 0.000 1.180 674 M CA 0.316 55.521 55.300 -0.158 0.000 0.985 674 M CB -1.635 30.860 32.600 -0.174 0.000 1.623 674 M HN 0.325 nan 8.290 nan 0.000 0.475 675 N N 2.792 121.499 118.700 0.012 0.000 2.699 675 N HA -0.189 4.551 4.740 -0.001 0.000 0.256 675 N C -0.898 174.635 175.510 0.037 0.000 0.993 675 N CA 0.312 53.379 53.050 0.029 0.000 0.759 675 N CB -0.852 37.648 38.487 0.021 0.000 0.906 675 N HN 0.335 nan 8.380 nan 0.000 0.541 676 N N 0.875 119.598 118.700 0.038 0.000 2.508 676 N HA 0.013 4.752 4.740 -0.001 0.000 0.264 676 N C 1.260 176.779 175.510 0.015 0.000 1.216 676 N CA -0.161 52.908 53.050 0.031 0.000 0.943 676 N CB 0.798 39.295 38.487 0.017 0.000 1.113 676 N HN 0.394 nan 8.380 nan 0.000 0.447 677 K N 0.771 121.170 120.400 -0.002 0.000 2.362 677 K HA -0.055 4.265 4.320 -0.001 0.000 0.200 677 K C 0.199 176.788 176.600 -0.018 0.000 1.046 677 K CA 1.204 57.486 56.287 -0.009 0.000 0.952 677 K CB 0.365 32.856 32.500 -0.015 0.000 0.753 677 K HN 0.544 nan 8.250 nan 0.000 0.466 678 Q N -2.711 117.069 119.800 -0.035 0.000 2.814 678 Q HA 0.107 4.446 4.340 -0.001 0.000 0.322 678 Q C -0.206 175.786 176.000 -0.013 0.000 0.861 678 Q CA -0.767 55.024 55.803 -0.020 0.000 0.773 678 Q CB 1.272 29.974 28.738 -0.060 0.000 1.423 678 Q HN 0.135 nan 8.270 nan 0.000 0.495 679 H N 0.534 119.563 119.070 -0.068 0.000 2.516 679 H HA 0.193 4.748 4.556 -0.001 0.000 0.284 679 H C 0.935 176.072 175.328 -0.319 0.000 0.999 679 H CA 0.617 56.604 56.048 -0.102 0.000 1.303 679 H CB 0.487 30.262 29.762 0.021 0.000 1.452 679 H HN 0.597 nan 8.280 nan 0.000 0.530 680 L N 1.111 121.967 121.223 -0.611 0.000 4.870 680 L HA -0.242 4.098 4.340 -0.001 0.000 0.579 680 L C -0.296 175.806 176.870 -1.280 0.000 0.825 680 L CA 0.386 54.645 54.840 -0.967 0.000 0.916 680 L CB -1.074 40.686 42.059 -0.498 0.000 1.857 680 L HN 0.278 nan 8.230 nan 0.000 1.004 681 M N 0.435 119.208 119.600 -1.378 0.000 2.103 681 M HA 0.377 4.856 4.480 -0.001 0.000 0.350 681 M C -0.656 175.351 176.300 -0.490 0.000 1.100 681 M CA -0.083 54.743 55.300 -0.789 0.000 1.042 681 M CB 0.296 32.493 32.600 -0.671 0.000 1.368 681 M HN -0.133 nan 8.290 nan 0.000 0.404 682 F N 3.522 123.543 119.950 0.118 0.000 2.382 682 F HA 0.504 5.030 4.527 -0.001 0.000 0.361 682 F C 0.266 176.177 175.800 0.185 0.000 1.109 682 F CA -0.956 57.148 58.000 0.172 0.000 1.031 682 F CB 1.025 40.103 39.000 0.130 0.000 1.234 682 F HN 0.493 nan 8.300 nan 0.000 0.445 683 M N 5.907 125.730 119.600 0.372 0.000 2.385 683 M HA 0.276 4.756 4.480 -0.001 0.000 0.346 683 M C -0.752 175.728 176.300 0.300 0.000 1.180 683 M CA -0.484 54.997 55.300 0.303 0.000 1.154 683 M CB -0.093 32.677 32.600 0.284 0.000 1.251 683 M HN 0.547 nan 8.290 nan 0.000 0.430 684 D N 3.416 123.968 120.400 0.253 0.000 2.341 684 D HA 0.119 4.759 4.640 -0.001 0.000 0.245 684 D C -0.187 176.201 176.300 0.147 0.000 1.106 684 D CA -0.479 53.642 54.000 0.201 0.000 0.905 684 D CB 1.119 41.995 40.800 0.126 0.000 1.202 684 D HN 0.577 nan 8.370 nan 0.000 0.426 685 R N 0.418 120.940 120.500 0.037 0.000 2.905 685 R HA -0.079 4.261 4.340 -0.001 0.000 0.273 685 R C 0.840 176.959 176.300 -0.302 0.000 1.033 685 R CA 0.588 56.409 56.100 -0.465 0.000 1.182 685 R CB 0.554 30.584 30.300 -0.450 0.000 1.097 685 R HN 0.882 nan 8.270 nan 0.000 0.504 686 E N 0.581 120.539 120.200 -0.403 0.000 3.902 686 E HA 0.227 4.577 4.350 -0.001 0.000 0.247 686 E C -0.667 175.839 176.600 -0.156 0.000 1.284 686 E CA -0.319 55.962 56.400 -0.199 0.000 1.773 686 E CB 0.110 29.739 29.700 -0.117 0.000 1.684 686 E HN 0.507 nan 8.360 nan 0.000 0.762 687 A N 0.874 123.605 122.820 -0.148 0.000 2.309 687 A HA 0.819 5.138 4.320 -0.001 0.000 0.317 687 A C -0.793 176.772 177.584 -0.031 0.000 1.134 687 A CA -0.769 51.236 52.037 -0.052 0.000 0.866 687 A CB 1.005 20.025 19.000 0.034 0.000 1.329 687 A HN 0.343 nan 8.150 nan 0.000 0.477 688 I N -0.437 120.176 120.570 0.071 0.000 2.627 688 I HA 0.549 4.719 4.170 -0.001 0.000 0.288 688 I C -0.272 176.017 176.117 0.286 0.000 1.202 688 I CA -0.197 61.208 61.300 0.175 0.000 1.050 688 I CB 2.029 40.164 38.000 0.224 0.000 1.264 688 I HN 0.778 nan 8.210 nan 0.000 0.429 689 A N 4.172 127.174 122.820 0.302 0.000 2.435 689 A HA 1.035 5.355 4.320 -0.001 0.000 0.304 689 A C -0.486 177.326 177.584 0.380 0.000 1.064 689 A CA -0.514 51.691 52.037 0.280 0.000 0.727 689 A CB 2.032 21.109 19.000 0.127 0.000 1.284 689 A HN 0.929 nan 8.150 nan 0.000 0.415 690 G N 0.960 110.056 108.800 0.493 0.000 2.601 690 G HA2 0.690 4.650 3.960 -0.001 0.000 0.291 690 G HA3 0.690 4.650 3.960 -0.001 0.000 0.291 690 G C -3.431 171.840 174.900 0.617 0.000 1.456 690 G CA -0.858 44.480 45.100 0.396 0.000 0.804 690 G HN 0.559 nan 8.290 nan 0.000 0.499 691 P HA 0.275 nan 4.420 nan 0.000 0.275 691 P C -2.334 175.412 177.300 0.743 0.000 1.270 691 P CA -1.028 62.298 63.100 0.376 0.000 0.791 691 P CB 1.212 32.993 31.700 0.136 0.000 1.089 692 P HA 0.208 nan 4.420 nan 0.000 0.253 692 P C 0.002 177.446 177.300 0.241 0.000 1.260 692 P CA 0.066 63.389 63.100 0.371 0.000 0.800 692 P CB -0.148 31.756 31.700 0.340 0.000 1.162 693 L N -1.078 120.406 121.223 0.436 0.000 2.619 693 L HA -0.246 4.093 4.340 -0.001 0.000 0.533 693 L C 0.960 177.958 176.870 0.213 0.000 1.002 693 L CA 0.431 55.507 54.840 0.393 0.000 1.266 693 L CB -1.074 41.263 42.059 0.463 0.000 1.549 693 L HN 0.523 nan 8.230 nan 0.000 0.778 694 G N 1.909 110.817 108.800 0.180 0.000 2.241 694 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.244 694 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.244 694 G C 0.261 175.230 174.900 0.115 0.000 0.998 694 G CA 0.658 45.834 45.100 0.127 0.000 0.621 694 G HN 1.601 nan 8.290 nan 0.000 0.519 695 S N -0.442 115.342 115.700 0.140 0.000 2.624 695 S HA 0.674 5.144 4.470 -0.001 0.000 0.263 695 S C 0.573 175.236 174.600 0.104 0.000 1.287 695 S CA 0.112 58.387 58.200 0.125 0.000 0.990 695 S CB 1.840 65.136 63.200 0.161 0.000 0.950 695 S HN 0.301 nan 8.310 nan 0.000 0.561 696 K N 0.134 120.584 120.400 0.083 0.000 2.478 696 K HA 0.236 4.555 4.320 -0.001 0.000 0.205 696 K C 0.875 177.505 176.600 0.051 0.000 1.033 696 K CA -0.228 56.097 56.287 0.062 0.000 1.091 696 K CB 0.462 32.992 32.500 0.051 0.000 0.844 696 K HN 0.764 nan 8.250 nan 0.000 0.507 697 G N 0.847 109.686 108.800 0.064 0.000 2.588 697 G HA2 0.275 4.234 3.960 -0.001 0.000 0.278 697 G HA3 0.275 4.234 3.960 -0.001 0.000 0.278 697 G C 0.522 175.441 174.900 0.032 0.000 1.307 697 G CA -0.413 44.717 45.100 0.049 0.000 1.016 697 G HN 0.209 nan 8.290 nan 0.000 0.503 698 I N -3.261 117.324 120.570 0.024 0.000 3.947 698 I HA 0.459 4.629 4.170 -0.001 0.000 0.327 698 I C 1.559 177.688 176.117 0.020 0.000 1.519 698 I CA 0.032 61.337 61.300 0.009 0.000 1.122 698 I CB 0.520 38.524 38.000 0.007 0.000 1.146 698 I HN 0.896 nan 8.210 nan 0.000 0.442 699 G N 0.744 109.563 108.800 0.030 0.000 2.746 699 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.236 699 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.236 699 G C 0.699 175.645 174.900 0.077 0.000 1.172 699 G CA 0.304 45.427 45.100 0.037 0.000 0.736 699 G HN 1.503 nan 8.290 nan 0.000 0.519 700 G N -1.528 107.363 108.800 0.152 0.000 2.340 700 G HA2 0.731 4.691 3.960 -0.001 0.000 0.298 700 G HA3 0.731 4.691 3.960 -0.001 0.000 0.298 700 G C -0.909 174.209 174.900 0.364 0.000 1.498 700 G CA 0.002 45.207 45.100 0.175 0.000 0.847 700 G HN 1.877 nan 8.290 nan 0.000 0.594 701 F N -2.347 117.647 119.950 0.073 0.000 2.719 701 F HA 0.872 5.399 4.527 -0.001 0.000 0.309 701 F C -2.287 173.534 175.800 0.035 0.000 1.138 701 F CA -2.191 55.957 58.000 0.246 0.000 0.943 701 F CB 0.898 39.989 39.000 0.151 0.000 1.304 701 F HN 0.564 nan 8.300 nan 0.000 0.445 702 W N 0.843 122.229 121.300 0.143 0.000 2.689 702 W HA 0.691 5.351 4.660 -0.001 0.000 0.340 702 W C 0.546 177.150 176.519 0.140 0.000 1.060 702 W CA -0.891 56.434 57.345 -0.033 0.000 1.218 702 W CB 1.905 31.267 29.460 -0.162 0.000 1.410 702 W HN 0.695 nan 8.180 nan 0.000 0.528 703 T N 0.349 115.044 114.554 0.235 0.000 3.034 703 T HA 0.442 4.792 4.350 -0.001 0.000 0.248 703 T C 0.403 175.195 174.700 0.153 0.000 1.040 703 T CA 1.154 63.376 62.100 0.202 0.000 1.107 703 T CB 0.132 69.072 68.868 0.120 0.000 0.932 703 T HN 0.670 nan 8.240 nan 0.000 0.474 704 G N 0.390 109.284 108.800 0.158 0.000 2.317 704 G HA2 0.315 4.275 3.960 -0.001 0.000 0.293 704 G HA3 0.315 4.275 3.960 -0.001 0.000 0.293 704 G C -1.807 173.178 174.900 0.141 0.000 1.287 704 G CA -1.081 44.095 45.100 0.128 0.000 0.850 704 G HN 0.083 nan 8.290 nan 0.000 0.515 705 K N 0.918 121.407 120.400 0.148 0.000 2.491 705 K HA 0.147 4.467 4.320 -0.001 0.000 0.279 705 K C 0.561 177.279 176.600 0.196 0.000 1.026 705 K CA 0.993 57.416 56.287 0.226 0.000 1.070 705 K CB 0.190 32.788 32.500 0.164 0.000 0.887 705 K HN 0.622 nan 8.250 nan 0.000 0.481 706 K N 0.950 121.517 120.400 0.277 0.000 3.274 706 K HA -0.273 4.046 4.320 -0.001 0.000 0.305 706 K C -0.429 176.191 176.600 0.033 0.000 1.225 706 K CA 1.114 57.533 56.287 0.220 0.000 0.904 706 K CB -0.647 31.951 32.500 0.163 0.000 1.227 706 K HN 0.540 nan 8.250 nan 0.000 0.453 707 R N 0.335 120.856 120.500 0.035 0.000 2.451 707 R HA 0.407 4.747 4.340 -0.001 0.000 0.307 707 R C -0.912 175.273 176.300 -0.192 0.000 0.965 707 R CA -0.666 55.356 56.100 -0.130 0.000 0.865 707 R CB 0.939 31.212 30.300 -0.044 0.000 1.174 707 R HN 0.213 nan 8.270 nan 0.000 0.455 708 Y N -0.494 119.448 120.300 -0.596 0.000 2.852 708 Y HA 0.743 5.292 4.550 -0.001 0.000 0.350 708 Y C -2.039 173.292 175.900 -0.948 0.000 1.272 708 Y CA -1.435 56.033 58.100 -1.052 0.000 1.086 708 Y CB 0.857 38.154 38.460 -1.938 0.000 1.408 708 Y HN 0.467 nan 8.280 nan 0.000 0.447 709 A N 1.395 123.717 122.820 -0.831 0.000 2.449 709 A HA 0.852 5.172 4.320 -0.001 0.000 0.302 709 A C -2.147 175.251 177.584 -0.310 0.000 1.048 709 A CA -0.831 50.899 52.037 -0.510 0.000 0.708 709 A CB 1.712 20.457 19.000 -0.424 0.000 1.274 709 A HN 0.833 nan 8.150 nan 0.000 0.410 710 L N 1.775 122.905 121.223 -0.155 0.000 2.476 710 L HA 0.344 4.684 4.340 -0.001 0.000 0.269 710 L C -0.644 176.179 176.870 -0.079 0.000 0.965 710 L CA -0.755 54.042 54.840 -0.072 0.000 0.845 710 L CB 2.288 44.343 42.059 -0.006 0.000 1.259 710 L HN 0.865 nan 8.230 nan 0.000 0.403 711 N N 2.863 121.507 118.700 -0.093 0.000 2.448 711 N HA 0.262 5.002 4.740 -0.001 0.000 0.250 711 N C -0.802 174.507 175.510 -0.336 0.000 1.136 711 N CA -0.155 52.762 53.050 -0.222 0.000 0.953 711 N CB 0.722 39.089 38.487 -0.201 0.000 1.251 711 N HN 0.235 nan 8.380 nan 0.000 0.502 712 V N 3.381 123.127 119.914 -0.280 0.000 2.785 712 V HA 0.224 4.344 4.120 -0.001 0.000 0.300 712 V C 0.380 176.266 176.094 -0.347 0.000 1.062 712 V CA -0.077 62.116 62.300 -0.177 0.000 1.029 712 V CB 1.292 33.158 31.823 0.072 0.000 1.024 712 V HN 0.801 nan 8.190 nan 0.000 0.477 713 W N 0.050 121.450 121.300 0.167 0.000 2.974 713 W HA 0.336 4.996 4.660 -0.001 0.000 0.250 713 W C 0.066 176.504 176.519 -0.134 0.000 1.074 713 W CA -0.153 57.257 57.345 0.109 0.000 1.410 713 W CB 0.809 30.308 29.460 0.065 0.000 0.846 713 W HN 0.539 nan 8.180 nan 0.000 0.680 714 D N 0.331 120.699 120.400 -0.053 0.000 2.927 714 D HA 0.367 5.006 4.640 -0.001 0.000 0.219 714 D C -1.488 174.623 176.300 -0.315 0.000 1.248 714 D CA -0.434 53.370 54.000 -0.327 0.000 0.861 714 D CB 1.647 42.400 40.800 -0.078 0.000 1.677 714 D HN -0.203 nan 8.370 nan 0.000 0.511 715 M N 2.601 121.951 119.600 -0.417 0.000 2.263 715 M HA 0.382 4.862 4.480 -0.001 0.000 0.295 715 M C -0.253 175.980 176.300 -0.111 0.000 1.028 715 M CA -0.074 55.115 55.300 -0.184 0.000 0.921 715 M CB 1.668 34.219 32.600 -0.082 0.000 1.601 715 M HN 0.498 nan 8.290 nan 0.000 0.440 716 E N 3.058 123.215 120.200 -0.070 0.000 2.735 716 E HA -0.232 4.118 4.350 -0.001 0.000 0.261 716 E C 0.849 177.424 176.600 -0.041 0.000 1.137 716 E CA 1.959 58.334 56.400 -0.042 0.000 0.754 716 E CB -1.299 28.397 29.700 -0.007 0.000 1.352 716 E HN 1.291 nan 8.360 nan 0.000 0.430 717 G N -1.547 107.215 108.800 -0.063 0.000 2.299 717 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.237 717 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.237 717 G C 0.453 175.323 174.900 -0.050 0.000 1.027 717 G CA 0.619 45.694 45.100 -0.043 0.000 0.619 717 G HN 1.022 nan 8.290 nan 0.000 0.513 718 T N 0.292 114.810 114.554 -0.060 0.000 2.961 718 T HA 0.536 4.886 4.350 -0.001 0.000 0.270 718 T C 0.580 175.212 174.700 -0.114 0.000 0.926 718 T CA 0.267 62.345 62.100 -0.036 0.000 1.112 718 T CB 0.850 69.733 68.868 0.025 0.000 0.926 718 T HN 0.655 nan 8.240 nan 0.000 0.612 719 R N 2.823 123.284 120.500 -0.065 0.000 2.638 719 R HA 0.122 4.462 4.340 -0.001 0.000 0.268 719 R C -0.679 175.675 176.300 0.089 0.000 1.006 719 R CA 0.152 56.221 56.100 -0.051 0.000 1.088 719 R CB -0.151 30.156 30.300 0.012 0.000 0.950 719 R HN 0.613 nan 8.270 nan 0.000 0.419 720 Y N 1.882 122.257 120.300 0.125 0.000 2.403 720 Y HA 0.431 4.980 4.550 -0.001 0.000 0.323 720 Y C 1.081 177.063 175.900 0.137 0.000 1.226 720 Y CA -0.786 57.389 58.100 0.126 0.000 1.235 720 Y CB 1.234 39.780 38.460 0.144 0.000 1.248 720 Y HN 0.761 nan 8.280 nan 0.000 0.489 721 A N 1.137 124.134 122.820 0.295 0.000 1.849 721 A HA 0.068 4.387 4.320 -0.001 0.000 0.214 721 A C 0.204 177.918 177.584 0.216 0.000 1.269 721 A CA 0.631 52.777 52.037 0.181 0.000 0.605 721 A CB -0.394 18.665 19.000 0.098 0.000 0.937 721 A HN 0.690 nan 8.150 nan 0.000 0.461 722 E N 0.599 120.882 120.200 0.138 0.000 2.231 722 E HA 0.390 4.740 4.350 -0.001 0.000 0.277 722 E C -2.606 174.037 176.600 0.073 0.000 0.999 722 E CA -2.539 53.934 56.400 0.122 0.000 0.827 722 E CB 0.971 30.683 29.700 0.021 0.000 1.101 722 E HN 0.255 nan 8.360 nan 0.000 0.393 723 P HA -0.050 nan 4.420 nan 0.000 0.261 723 P C -0.974 176.166 177.300 -0.268 0.000 1.183 723 P CA 0.308 63.117 63.100 -0.484 0.000 0.761 723 P CB 0.424 31.524 31.700 -1.000 0.000 0.785 724 K N 3.528 123.816 120.400 -0.187 0.000 2.263 724 K HA 0.352 4.671 4.320 -0.001 0.000 0.272 724 K C 0.255 176.778 176.600 -0.128 0.000 1.033 724 K CA -0.749 55.427 56.287 -0.185 0.000 0.884 724 K CB 0.682 32.975 32.500 -0.345 0.000 1.107 724 K HN 0.463 nan 8.250 nan 0.000 0.460 725 L N 3.051 124.192 121.223 -0.137 0.000 2.485 725 L HA 0.058 4.398 4.340 -0.001 0.000 0.275 725 L C 0.204 177.024 176.870 -0.084 0.000 1.207 725 L CA 0.247 55.016 54.840 -0.118 0.000 0.855 725 L CB 0.292 42.280 42.059 -0.118 0.000 1.114 725 L HN 0.366 nan 8.230 nan 0.000 0.485 726 K N 3.847 124.199 120.400 -0.080 0.000 2.507 726 K HA 0.474 4.793 4.320 -0.001 0.000 0.253 726 K C -1.141 175.366 176.600 -0.154 0.000 0.969 726 K CA -0.346 55.904 56.287 -0.062 0.000 0.908 726 K CB 0.821 33.331 32.500 0.017 0.000 1.127 726 K HN 0.246 nan 8.250 nan 0.000 0.437 727 I N 3.426 123.879 120.570 -0.195 0.000 2.577 727 I HA 0.512 4.681 4.170 -0.001 0.000 0.305 727 I C -0.671 175.183 176.117 -0.439 0.000 0.986 727 I CA -0.538 60.577 61.300 -0.309 0.000 1.189 727 I CB 1.537 39.406 38.000 -0.217 0.000 1.355 727 I HN 0.539 nan 8.210 nan 0.000 0.476 728 M N 4.230 123.443 119.600 -0.646 0.000 2.149 728 M HA 0.323 4.803 4.480 -0.001 0.000 0.273 728 M C 0.491 176.500 176.300 -0.485 0.000 0.972 728 M CA -0.689 54.176 55.300 -0.724 0.000 0.984 728 M CB 0.742 32.408 32.600 -1.557 0.000 1.699 728 M HN 0.766 nan 8.290 nan 0.000 0.462 729 G N 3.355 111.992 108.800 -0.272 0.000 2.216 729 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.269 729 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.269 729 G C 0.540 175.375 174.900 -0.109 0.000 0.981 729 G CA 0.605 45.610 45.100 -0.157 0.000 0.658 729 G HN 0.658 nan 8.290 nan 0.000 0.539 730 L N 1.132 122.280 121.223 -0.125 0.000 2.855 730 L HA 0.077 4.417 4.340 -0.001 0.000 0.257 730 L C 1.978 178.886 176.870 0.062 0.000 1.206 730 L CA 1.094 55.937 54.840 0.005 0.000 1.042 730 L CB -0.810 41.246 42.059 -0.005 0.000 1.321 730 L HN 0.734 nan 8.230 nan 0.000 0.417 731 E N -1.829 118.382 120.200 0.019 0.000 3.208 731 E HA -0.405 3.945 4.350 -0.001 0.000 0.277 731 E C 1.026 177.643 176.600 0.028 0.000 0.989 731 E CA 1.549 57.967 56.400 0.030 0.000 0.850 731 E CB -2.013 27.722 29.700 0.058 0.000 1.429 731 E HN 0.677 nan 8.360 nan 0.000 0.463 732 T N -1.456 113.100 114.554 0.004 0.000 2.833 732 T HA -0.218 4.131 4.350 -0.001 0.000 0.269 732 T C 1.684 176.368 174.700 -0.028 0.000 1.054 732 T CA 1.853 63.943 62.100 -0.016 0.000 1.135 732 T CB -0.151 68.683 68.868 -0.058 0.000 0.869 732 T HN 0.456 nan 8.240 nan 0.000 0.466 733 Q N 1.220 120.998 119.800 -0.036 0.000 2.200 733 Q HA 0.299 4.638 4.340 -0.001 0.000 0.197 733 Q C 0.661 176.638 176.000 -0.040 0.000 0.953 733 Q CA 0.291 56.069 55.803 -0.042 0.000 0.851 733 Q CB -0.468 28.244 28.738 -0.043 0.000 0.938 733 Q HN 0.387 nan 8.270 nan 0.000 0.488 734 K N 2.607 122.992 120.400 -0.025 0.000 2.362 734 K HA -0.104 4.215 4.320 -0.001 0.000 0.261 734 K C 0.816 177.397 176.600 -0.032 0.000 1.195 734 K CA 0.461 56.737 56.287 -0.019 0.000 1.233 734 K CB -0.061 32.436 32.500 -0.005 0.000 0.795 734 K HN 0.374 nan 8.250 nan 0.000 0.498 735 S N 2.344 118.014 115.700 -0.050 0.000 2.401 735 S HA -0.340 4.129 4.470 -0.001 0.000 0.236 735 S C 1.855 176.416 174.600 -0.066 0.000 1.058 735 S CA 2.060 60.211 58.200 -0.083 0.000 1.151 735 S CB -0.715 62.431 63.200 -0.090 0.000 1.049 735 S HN 0.731 nan 8.310 nan 0.000 0.432 736 S N 2.105 117.779 115.700 -0.044 0.000 2.443 736 S HA -0.174 4.296 4.470 -0.001 0.000 0.246 736 S C 1.146 175.739 174.600 -0.012 0.000 1.058 736 S CA 1.433 59.614 58.200 -0.031 0.000 1.028 736 S CB -1.782 61.413 63.200 -0.008 0.000 0.821 736 S HN 0.899 nan 8.310 nan 0.000 0.484 737 T N 0.763 115.318 114.554 0.002 0.000 2.851 737 T HA 0.419 4.769 4.350 -0.001 0.000 0.298 737 T C -2.913 171.808 174.700 0.035 0.000 0.977 737 T CA -2.183 59.939 62.100 0.036 0.000 1.126 737 T CB 0.548 69.452 68.868 0.061 0.000 0.916 737 T HN -0.057 nan 8.240 nan 0.000 0.529 738 P HA 0.068 nan 4.420 nan 0.000 0.262 738 P C 0.925 178.248 177.300 0.038 0.000 1.182 738 P CA -0.203 62.935 63.100 0.064 0.000 0.761 738 P CB 0.516 32.279 31.700 0.105 0.000 0.795 739 K N 4.169 124.569 120.400 0.001 0.000 2.023 739 K HA -0.343 3.977 4.320 -0.001 0.000 0.227 739 K C 1.919 178.497 176.600 -0.037 0.000 1.054 739 K CA 2.669 58.935 56.287 -0.036 0.000 0.977 739 K CB -0.847 31.622 32.500 -0.052 0.000 0.733 739 K HN 0.493 nan 8.250 nan 0.000 0.451 740 A N 0.143 122.940 122.820 -0.038 0.000 1.903 740 A HA -0.206 4.113 4.320 -0.001 0.000 0.219 740 A C 2.295 179.832 177.584 -0.078 0.000 1.191 740 A CA 2.319 54.311 52.037 -0.074 0.000 0.638 740 A CB -0.934 18.040 19.000 -0.044 0.000 0.823 740 A HN 0.233 nan 8.150 nan 0.000 0.451 741 V N 0.107 120.054 119.914 0.054 0.000 2.469 741 V HA -0.343 3.776 4.120 -0.001 0.000 0.251 741 V C 2.595 178.754 176.094 0.109 0.000 1.064 741 V CA 2.233 64.615 62.300 0.137 0.000 1.066 741 V CB -1.067 30.911 31.823 0.257 0.000 0.667 741 V HN 0.668 nan 8.190 nan 0.000 0.461 742 Q N 0.104 119.932 119.800 0.047 0.000 2.084 742 Q HA -0.249 4.091 4.340 -0.001 0.000 0.202 742 Q C 2.330 178.320 176.000 -0.017 0.000 0.978 742 Q CA 1.612 57.428 55.803 0.022 0.000 0.844 742 Q CB -0.276 28.451 28.738 -0.019 0.000 0.898 742 Q HN 0.613 nan 8.270 nan 0.000 0.426 743 K N 0.700 121.063 120.400 -0.062 0.000 2.057 743 K HA -0.106 4.213 4.320 -0.001 0.000 0.207 743 K C 2.146 178.674 176.600 -0.120 0.000 1.049 743 K CA 1.175 57.404 56.287 -0.097 0.000 0.931 743 K CB -0.220 32.208 32.500 -0.120 0.000 0.714 743 K HN 0.160 nan 8.250 nan 0.000 0.440 744 A N 1.434 124.153 122.820 -0.169 0.000 1.858 744 A HA -0.162 4.157 4.320 -0.001 0.000 0.216 744 A C 2.166 179.796 177.584 0.076 0.000 1.190 744 A CA 1.357 53.304 52.037 -0.150 0.000 0.617 744 A CB -0.809 17.946 19.000 -0.408 0.000 0.827 744 A HN 0.161 nan 8.150 nan 0.000 0.443 745 L N -0.606 120.738 121.223 0.203 0.000 1.990 745 L HA -0.266 4.073 4.340 -0.001 0.000 0.213 745 L C 2.660 179.460 176.870 -0.116 0.000 1.072 745 L CA 2.144 57.049 54.840 0.108 0.000 0.755 745 L CB -0.457 41.659 42.059 0.094 0.000 0.889 745 L HN 0.480 nan 8.230 nan 0.000 0.432 746 K N -0.338 119.998 120.400 -0.106 0.000 2.127 746 K HA -0.256 4.064 4.320 -0.001 0.000 0.208 746 K C 2.094 178.585 176.600 -0.181 0.000 1.047 746 K CA 1.491 57.693 56.287 -0.142 0.000 0.927 746 K CB 0.052 32.488 32.500 -0.106 0.000 0.716 746 K HN 0.195 nan 8.250 nan 0.000 0.450 747 E N 0.612 120.677 120.200 -0.224 0.000 2.007 747 E HA -0.185 4.165 4.350 -0.001 0.000 0.194 747 E C 2.158 178.539 176.600 -0.364 0.000 0.999 747 E CA 1.473 57.658 56.400 -0.358 0.000 0.811 747 E CB -0.765 28.500 29.700 -0.725 0.000 0.762 747 E HN 0.426 nan 8.360 nan 0.000 0.450 748 C N 0.933 120.011 119.300 -0.370 0.000 2.382 748 C HA -0.194 4.265 4.460 -0.001 0.000 0.274 748 C C 2.779 177.625 174.990 -0.241 0.000 1.180 748 C CA 0.680 59.539 59.018 -0.266 0.000 1.799 748 C CB -1.342 26.274 27.740 -0.207 0.000 2.094 748 C HN 0.390 nan 8.230 nan 0.000 0.468 749 I N 0.044 120.457 120.570 -0.262 0.000 2.163 749 I HA -0.196 3.973 4.170 -0.001 0.000 0.240 749 I C 2.948 179.000 176.117 -0.110 0.000 1.081 749 I CA 1.515 62.705 61.300 -0.184 0.000 1.353 749 I CB -0.656 37.232 38.000 -0.187 0.000 1.054 749 I HN 0.326 nan 8.210 nan 0.000 0.407 750 R N 1.310 121.731 120.500 -0.131 0.000 2.094 750 R HA -0.206 4.133 4.340 -0.001 0.000 0.239 750 R C 2.514 178.771 176.300 -0.071 0.000 1.137 750 R CA 1.799 57.839 56.100 -0.099 0.000 0.943 750 R CB -0.191 30.043 30.300 -0.111 0.000 0.850 750 R HN 0.320 nan 8.270 nan 0.000 0.433 751 R N -0.129 120.316 120.500 -0.091 0.000 2.105 751 R HA -0.158 4.182 4.340 -0.001 0.000 0.239 751 R C 2.382 178.665 176.300 -0.027 0.000 1.135 751 R CA 1.972 58.044 56.100 -0.046 0.000 0.967 751 R CB -0.394 29.874 30.300 -0.053 0.000 0.861 751 R HN 0.360 nan 8.270 nan 0.000 0.442 752 M N 0.508 120.076 119.600 -0.054 0.000 2.099 752 M HA -0.117 4.362 4.480 -0.001 0.000 0.262 752 M C 2.274 178.570 176.300 -0.005 0.000 1.067 752 M CA 1.595 56.867 55.300 -0.047 0.000 1.124 752 M CB -0.255 32.284 32.600 -0.103 0.000 1.353 752 M HN 0.100 nan 8.290 nan 0.000 0.410 753 L N -0.618 120.610 121.223 0.008 0.000 2.109 753 L HA -0.166 4.173 4.340 -0.001 0.000 0.207 753 L C 2.137 179.029 176.870 0.038 0.000 1.086 753 L CA 1.367 56.223 54.840 0.027 0.000 0.760 753 L CB -0.576 41.487 42.059 0.007 0.000 0.910 753 L HN 0.435 nan 8.230 nan 0.000 0.437 754 Q N -0.835 118.985 119.800 0.033 0.000 2.442 754 Q HA -0.000 4.339 4.340 -0.001 0.000 0.228 754 Q C 1.465 177.515 176.000 0.084 0.000 0.902 754 Q CA 0.417 56.265 55.803 0.075 0.000 0.933 754 Q CB 0.559 29.330 28.738 0.055 0.000 1.071 754 Q HN 0.476 nan 8.270 nan 0.000 0.562 755 E N -0.135 120.097 120.200 0.055 0.000 2.465 755 E HA 0.261 4.611 4.350 -0.001 0.000 0.209 755 E C 0.579 177.208 176.600 0.049 0.000 0.951 755 E CA 0.266 56.701 56.400 0.058 0.000 0.997 755 E CB 1.137 30.870 29.700 0.055 0.000 1.025 755 E HN 0.252 nan 8.360 nan 0.000 0.500 756 G N 2.389 111.210 108.800 0.035 0.000 2.782 756 G HA2 -0.377 3.582 3.960 -0.001 0.000 0.228 756 G HA3 -0.377 3.582 3.960 -0.001 0.000 0.228 756 G C 0.473 175.389 174.900 0.027 0.000 1.372 756 G CA 0.150 45.265 45.100 0.025 0.000 0.862 756 G HN 0.223 nan 8.290 nan 0.000 0.547 757 E N -0.476 119.737 120.200 0.021 0.000 2.110 757 E HA -0.282 4.068 4.350 -0.001 0.000 0.225 757 E C 2.138 178.771 176.600 0.055 0.000 1.063 757 E CA 2.875 59.292 56.400 0.028 0.000 0.906 757 E CB -0.366 29.345 29.700 0.019 0.000 0.795 757 E HN 0.698 nan 8.360 nan 0.000 0.479 758 E N 0.043 120.274 120.200 0.053 0.000 2.103 758 E HA -0.333 4.017 4.350 -0.001 0.000 0.229 758 E C 2.104 178.760 176.600 0.093 0.000 1.061 758 E CA 1.903 58.342 56.400 0.065 0.000 0.916 758 E CB -1.072 28.660 29.700 0.052 0.000 0.806 758 E HN 0.262 nan 8.360 nan 0.000 0.489 759 S N -0.757 114.996 115.700 0.089 0.000 2.380 759 S HA -0.260 4.209 4.470 -0.001 0.000 0.229 759 S C 2.028 176.727 174.600 0.166 0.000 1.050 759 S CA 1.870 60.138 58.200 0.113 0.000 1.100 759 S CB -0.693 62.557 63.200 0.084 0.000 0.984 759 S HN 0.375 nan 8.310 nan 0.000 0.434 760 L N 1.248 122.553 121.223 0.136 0.000 1.943 760 L HA -0.233 4.106 4.340 -0.001 0.000 0.215 760 L C 2.759 179.804 176.870 0.291 0.000 1.074 760 L CA 2.288 57.231 54.840 0.172 0.000 0.759 760 L CB -0.809 41.302 42.059 0.087 0.000 0.888 760 L HN 0.477 nan 8.230 nan 0.000 0.433 761 Q N -0.631 119.313 119.800 0.241 0.000 2.124 761 Q HA -0.360 3.980 4.340 -0.001 0.000 0.215 761 Q C 2.144 178.349 176.000 0.342 0.000 1.015 761 Q CA 2.530 58.510 55.803 0.295 0.000 0.890 761 Q CB -0.516 28.332 28.738 0.183 0.000 0.966 761 Q HN 0.653 nan 8.270 nan 0.000 0.412 762 E N -0.014 120.335 120.200 0.249 0.000 2.051 762 E HA -0.181 4.168 4.350 -0.001 0.000 0.189 762 E C 1.926 178.660 176.600 0.223 0.000 0.979 762 E CA 0.681 57.198 56.400 0.195 0.000 0.803 762 E CB -0.219 29.561 29.700 0.134 0.000 0.761 762 E HN 0.425 nan 8.360 nan 0.000 0.451 763 Y N 1.130 121.534 120.300 0.172 0.000 2.151 763 Y HA -0.292 4.258 4.550 -0.001 0.000 0.284 763 Y C 2.067 178.124 175.900 0.262 0.000 1.166 763 Y CA 2.091 60.304 58.100 0.188 0.000 1.163 763 Y CB -0.793 37.778 38.460 0.185 0.000 0.974 763 Y HN 0.166 nan 8.280 nan 0.000 0.511 764 F N 1.562 121.806 119.950 0.489 0.000 2.043 764 F HA -0.250 4.276 4.527 -0.001 0.000 0.297 764 F C 2.381 178.312 175.800 0.219 0.000 1.121 764 F CA 2.518 60.773 58.000 0.425 0.000 1.199 764 F CB -1.062 38.138 39.000 0.333 0.000 0.968 764 F HN 0.044 nan 8.300 nan 0.000 0.478 765 K N 0.914 121.130 120.400 -0.308 0.000 2.074 765 K HA -0.224 4.096 4.320 -0.001 0.000 0.209 765 K C 2.176 178.603 176.600 -0.289 0.000 1.048 765 K CA 1.773 57.803 56.287 -0.429 0.000 0.926 765 K CB -0.637 31.782 32.500 -0.136 0.000 0.713 765 K HN 0.518 nan 8.250 nan 0.000 0.444 766 E N -0.176 119.920 120.200 -0.174 0.000 1.983 766 E HA -0.199 4.151 4.350 -0.001 0.000 0.208 766 E C -0.041 176.461 176.600 -0.164 0.000 1.006 766 E CA 0.952 57.251 56.400 -0.169 0.000 0.872 766 E CB -0.394 29.169 29.700 -0.228 0.000 0.806 766 E HN 0.236 nan 8.360 nan 0.000 0.510 767 F N 1.365 121.088 119.950 -0.378 0.000 2.506 767 F HA 0.089 4.616 4.527 -0.001 0.000 0.369 767 F C 0.825 176.539 175.800 -0.143 0.000 1.114 767 F CA 1.236 59.084 58.000 -0.252 0.000 1.121 767 F CB -0.081 38.737 39.000 -0.304 0.000 1.104 767 F HN 0.416 nan 8.300 nan 0.000 0.564 768 E N 3.038 122.949 120.200 -0.482 0.000 1.304 768 E HA -0.156 4.193 4.350 -0.001 0.000 0.219 768 E C 0.920 177.404 176.600 -0.193 0.000 1.059 768 E CA 0.216 56.318 56.400 -0.497 0.000 1.157 768 E CB -0.710 28.679 29.700 -0.519 0.000 4.652 768 E HN 0.331 nan 8.360 nan 0.000 0.696 769 K N 1.774 122.074 120.400 -0.166 0.000 2.026 769 K HA -0.176 4.144 4.320 -0.001 0.000 0.208 769 K C 1.797 178.387 176.600 -0.017 0.000 1.048 769 K CA 2.322 58.559 56.287 -0.083 0.000 0.929 769 K CB -0.189 32.259 32.500 -0.086 0.000 0.713 769 K HN 0.592 nan 8.250 nan 0.000 0.439 770 E N -0.559 119.647 120.200 0.010 0.000 2.208 770 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 770 E C 2.099 178.768 176.600 0.114 0.000 0.988 770 E CA 0.452 56.895 56.400 0.071 0.000 0.828 770 E CB -0.820 28.945 29.700 0.108 0.000 0.763 770 E HN 0.238 nan 8.360 nan 0.000 0.478 771 F N 2.938 122.842 119.950 -0.077 0.000 2.063 771 F HA -0.305 4.221 4.527 -0.001 0.000 0.297 771 F C 2.360 178.241 175.800 0.134 0.000 1.099 771 F CA 2.078 60.044 58.000 -0.056 0.000 1.220 771 F CB -0.067 38.761 39.000 -0.287 0.000 0.972 771 F HN -0.139 nan 8.300 nan 0.000 0.487 772 R N -0.187 120.473 120.500 0.266 0.000 2.159 772 R HA -0.188 4.152 4.340 -0.001 0.000 0.237 772 R C 1.576 177.920 176.300 0.073 0.000 1.131 772 R CA 1.775 57.993 56.100 0.196 0.000 0.982 772 R CB -0.521 29.758 30.300 -0.035 0.000 0.868 772 R HN 0.505 nan 8.270 nan 0.000 0.453 773 Q N -0.007 119.809 119.800 0.026 0.000 2.198 773 Q HA 0.237 4.576 4.340 -0.001 0.000 0.209 773 Q C -0.084 175.916 176.000 -0.001 0.000 0.848 773 Q CA -0.140 55.667 55.803 0.006 0.000 0.974 773 Q CB 0.549 29.283 28.738 -0.008 0.000 1.115 773 Q HN 0.184 nan 8.270 nan 0.000 0.494 774 L N 0.347 121.548 121.223 -0.036 0.000 2.456 774 L HA 0.223 4.562 4.340 -0.001 0.000 0.257 774 L C 0.655 177.500 176.870 -0.041 0.000 1.162 774 L CA -0.910 53.897 54.840 -0.054 0.000 0.808 774 L CB 0.251 42.255 42.059 -0.092 0.000 1.136 774 L HN 0.152 nan 8.230 nan 0.000 0.466 775 N N 0.715 119.382 118.700 -0.054 0.000 2.468 775 N HA -0.088 4.652 4.740 -0.001 0.000 0.265 775 N C 0.920 176.375 175.510 -0.091 0.000 1.199 775 N CA 0.032 53.049 53.050 -0.055 0.000 0.928 775 N CB 0.744 39.157 38.487 -0.124 0.000 1.059 775 N HN 0.664 nan 8.380 nan 0.000 0.467 776 Y N 4.503 124.764 120.300 -0.065 0.000 2.108 776 Y HA -0.297 4.253 4.550 -0.001 0.000 0.274 776 Y C 1.826 177.691 175.900 -0.059 0.000 1.229 776 Y CA 1.484 59.543 58.100 -0.068 0.000 1.129 776 Y CB -0.506 37.928 38.460 -0.044 0.000 0.946 776 Y HN 0.509 nan 8.280 nan 0.000 0.509 777 I N 1.348 121.501 120.570 -0.695 0.000 2.454 777 I HA -0.249 3.921 4.170 -0.001 0.000 0.254 777 I C 2.402 178.381 176.117 -0.229 0.000 1.156 777 I CA 1.750 62.757 61.300 -0.489 0.000 1.433 777 I CB -0.985 36.621 38.000 -0.656 0.000 1.082 777 I HN 0.528 nan 8.210 nan 0.000 0.432 778 S N 1.629 117.212 115.700 -0.196 0.000 2.474 778 S HA -0.088 4.382 4.470 -0.001 0.000 0.235 778 S C 1.694 176.255 174.600 -0.066 0.000 0.997 778 S CA 0.802 58.933 58.200 -0.115 0.000 0.949 778 S CB -0.624 62.509 63.200 -0.111 0.000 0.766 778 S HN 0.719 nan 8.310 nan 0.000 0.517 779 I N -1.780 118.747 120.570 -0.073 0.000 4.082 779 I HA 0.565 4.735 4.170 -0.001 0.000 0.337 779 I C 0.658 176.802 176.117 0.045 0.000 1.352 779 I CA -0.742 60.535 61.300 -0.037 0.000 1.097 779 I CB -0.045 37.830 38.000 -0.209 0.000 1.048 779 I HN 0.157 nan 8.210 nan 0.000 0.393 780 A N 1.449 124.313 122.820 0.073 0.000 2.388 780 A HA 0.492 4.812 4.320 -0.001 0.000 0.257 780 A C 0.429 178.100 177.584 0.145 0.000 1.095 780 A CA -0.022 52.107 52.037 0.154 0.000 0.791 780 A CB 0.538 19.639 19.000 0.168 0.000 1.029 780 A HN 0.402 nan 8.150 nan 0.000 0.489 781 S N 0.538 116.312 115.700 0.124 0.000 2.603 781 S HA 0.498 4.968 4.470 -0.001 0.000 0.268 781 S C -0.140 174.479 174.600 0.033 0.000 1.317 781 S CA -0.403 57.835 58.200 0.064 0.000 1.012 781 S CB 0.286 63.503 63.200 0.029 0.000 0.926 781 S HN 0.844 nan 8.310 nan 0.000 0.539 782 V N 2.744 122.637 119.914 -0.035 0.000 2.628 782 V HA 0.784 4.903 4.120 -0.001 0.000 0.306 782 V C 0.140 176.168 176.094 -0.109 0.000 1.045 782 V CA -0.570 61.645 62.300 -0.142 0.000 0.905 782 V CB 1.580 33.297 31.823 -0.178 0.000 0.997 782 V HN 0.910 nan 8.190 nan 0.000 0.436 783 S N 1.085 116.703 115.700 -0.136 0.000 2.843 783 S HA 0.839 5.308 4.470 -0.001 0.000 0.301 783 S C -0.873 173.683 174.600 -0.074 0.000 1.206 783 S CA -0.421 57.761 58.200 -0.029 0.000 0.875 783 S CB 2.208 65.470 63.200 0.103 0.000 1.248 783 S HN 1.081 nan 8.310 nan 0.000 0.555 784 S N 0.022 115.716 115.700 -0.010 0.000 2.546 784 S HA 0.787 5.256 4.470 -0.001 0.000 0.274 784 S C -0.964 173.617 174.600 -0.032 0.000 1.121 784 S CA -0.753 57.409 58.200 -0.062 0.000 0.887 784 S CB 1.668 64.821 63.200 -0.079 0.000 1.094 784 S HN 1.047 nan 8.310 nan 0.000 0.474 785 A N 2.436 125.224 122.820 -0.053 0.000 2.798 785 A HA 0.373 4.692 4.320 -0.001 0.000 0.316 785 A C 1.116 178.667 177.584 -0.055 0.000 1.506 785 A CA -0.875 51.141 52.037 -0.035 0.000 1.162 785 A CB -0.833 18.159 19.000 -0.012 0.000 1.138 785 A HN 0.824 nan 8.150 nan 0.000 0.532 786 N N 1.863 120.521 118.700 -0.070 0.000 2.182 786 N HA -0.248 4.491 4.740 -0.001 0.000 0.192 786 N C 0.445 175.947 175.510 -0.014 0.000 1.007 786 N CA 1.776 54.796 53.050 -0.050 0.000 0.873 786 N CB -0.114 38.304 38.487 -0.115 0.000 0.998 786 N HN 0.822 nan 8.380 nan 0.000 0.436 787 N N -1.875 116.793 118.700 -0.053 0.000 3.102 787 N HA -0.079 4.661 4.740 -0.001 0.000 0.228 787 N C 0.581 176.041 175.510 -0.083 0.000 0.990 787 N CA 0.208 53.243 53.050 -0.025 0.000 0.969 787 N CB -1.505 37.002 38.487 0.034 0.000 1.081 787 N HN 0.179 nan 8.380 nan 0.000 0.541 788 I N -0.125 120.304 120.570 -0.235 0.000 2.286 788 I HA -0.214 3.956 4.170 -0.001 0.000 0.248 788 I C 2.464 178.344 176.117 -0.395 0.000 1.115 788 I CA 1.170 62.166 61.300 -0.505 0.000 1.392 788 I CB -0.621 36.857 38.000 -0.870 0.000 1.065 788 I HN 0.367 nan 8.210 nan 0.000 0.418 789 A N 2.713 125.437 122.820 -0.160 0.000 1.827 789 A HA -0.447 3.873 4.320 -0.001 0.000 0.262 789 A C 2.183 179.973 177.584 0.343 0.000 2.408 789 A CA 3.666 55.799 52.037 0.160 0.000 0.827 789 A CB -1.357 17.697 19.000 0.090 0.000 0.840 789 A HN 0.604 nan 8.150 nan 0.000 0.513 790 K N -1.042 119.482 120.400 0.206 0.000 2.117 790 K HA -0.318 4.002 4.320 -0.001 0.000 0.215 790 K C 1.619 178.365 176.600 0.244 0.000 1.053 790 K CA 2.213 58.612 56.287 0.187 0.000 0.935 790 K CB -1.188 31.394 32.500 0.137 0.000 0.719 790 K HN 0.961 nan 8.250 nan 0.000 0.460 791 Y N 1.100 121.420 120.300 0.033 0.000 2.888 791 Y HA -0.080 4.469 4.550 -0.001 0.000 0.323 791 Y C 0.537 176.457 175.900 0.033 0.000 1.189 791 Y CA 0.356 58.473 58.100 0.028 0.000 1.379 791 Y CB -0.561 37.909 38.460 0.017 0.000 1.012 791 Y HN 0.215 nan 8.280 nan 0.000 0.529 792 D N -1.182 119.190 120.400 -0.047 0.000 2.345 792 D HA 0.069 4.709 4.640 -0.001 0.000 0.290 792 D C -0.068 176.213 176.300 -0.031 0.000 1.107 792 D CA 0.229 54.103 54.000 -0.210 0.000 0.836 792 D CB 0.692 41.367 40.800 -0.209 0.000 1.406 792 D HN 0.086 nan 8.370 nan 0.000 0.532 793 V N 2.227 122.169 119.914 0.047 0.000 2.107 793 V HA 0.101 4.220 4.120 -0.001 0.000 0.229 793 V C 1.446 177.577 176.094 0.062 0.000 1.545 793 V CA 0.810 63.150 62.300 0.066 0.000 1.546 793 V CB -0.622 31.252 31.823 0.085 0.000 1.542 793 V HN 0.160 nan 8.190 nan 0.000 0.492 794 G N 1.333 110.173 108.800 0.065 0.000 3.949 794 G HA2 0.459 4.418 3.960 -0.001 0.000 0.295 794 G HA3 0.459 4.418 3.960 -0.001 0.000 0.295 794 G C 1.210 176.188 174.900 0.130 0.000 1.286 794 G CA 0.218 45.360 45.100 0.070 0.000 1.171 794 G HN 1.072 nan 8.290 nan 0.000 0.586 795 G N -0.799 108.085 108.800 0.141 0.000 2.228 795 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.270 795 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.270 795 G C 0.139 175.249 174.900 0.350 0.000 0.976 795 G CA 0.858 46.079 45.100 0.203 0.000 0.636 795 G HN 0.548 nan 8.290 nan 0.000 0.542 796 F N 0.130 120.089 119.950 0.014 0.000 2.789 796 F HA 0.602 5.128 4.527 -0.001 0.000 0.319 796 F C -1.841 173.959 175.800 0.001 0.000 1.168 796 F CA -0.986 57.021 58.000 0.012 0.000 0.934 796 F CB 1.225 40.228 39.000 0.005 0.000 1.375 796 F HN -0.096 nan 8.300 nan 0.000 0.480 797 P HA 0.417 nan 4.420 nan 0.000 0.338 797 P C -0.919 176.409 177.300 0.046 0.000 1.428 797 P CA 0.224 63.363 63.100 0.064 0.000 0.867 797 P CB 0.471 32.198 31.700 0.045 0.000 2.125 798 G N -1.294 107.511 108.800 0.007 0.000 1.787 798 G HA2 0.273 4.233 3.960 -0.001 0.000 0.235 798 G HA3 0.273 4.233 3.960 -0.001 0.000 0.235 798 G C -3.223 171.653 174.900 -0.040 0.000 1.736 798 G CA -0.655 44.429 45.100 -0.027 0.000 0.927 798 G HN 0.220 nan 8.290 nan 0.000 0.646 799 P HA -0.161 nan 4.420 nan 0.000 0.266 799 P C 0.665 177.975 177.300 0.017 0.000 1.118 799 P CA 1.222 64.331 63.100 0.014 0.000 0.749 799 P CB 0.319 32.026 31.700 0.011 0.000 0.708 800 K N -0.456 119.973 120.400 0.049 0.000 3.291 800 K HA -0.202 4.118 4.320 -0.001 0.000 0.290 800 K C -0.363 176.309 176.600 0.120 0.000 1.235 800 K CA 0.828 57.161 56.287 0.076 0.000 0.848 800 K CB -1.820 30.721 32.500 0.068 0.000 1.295 800 K HN 0.737 nan 8.250 nan 0.000 0.497 801 C N -0.284 119.083 119.300 0.112 0.000 2.369 801 C HA 0.655 5.115 4.460 -0.001 0.000 0.358 801 C C -1.577 173.519 174.990 0.177 0.000 1.274 801 C CA -1.858 57.268 59.018 0.180 0.000 1.935 801 C CB 0.401 28.209 27.740 0.113 0.000 2.431 801 C HN 0.149 nan 8.230 nan 0.000 0.545 802 P HA 0.043 nan 4.420 nan 0.000 0.270 802 P C 0.507 178.015 177.300 0.347 0.000 1.221 802 P CA -0.179 63.072 63.100 0.252 0.000 0.788 802 P CB 0.289 32.044 31.700 0.093 0.000 0.904 803 F N 1.019 121.173 119.950 0.339 0.000 2.102 803 F HA -0.238 4.289 4.527 -0.001 0.000 0.298 803 F C 2.048 177.942 175.800 0.157 0.000 1.105 803 F CA 1.825 59.924 58.000 0.166 0.000 1.239 803 F CB -0.621 38.397 39.000 0.030 0.000 0.991 803 F HN 0.374 nan 8.300 nan 0.000 0.474 804 H N 0.533 119.754 119.070 0.253 0.000 2.937 804 H HA -0.267 4.288 4.556 -0.001 0.000 0.298 804 H C 2.384 177.735 175.328 0.039 0.000 1.025 804 H CA 2.257 58.386 56.048 0.136 0.000 1.051 804 H CB -1.418 28.398 29.762 0.089 0.000 1.533 804 H HN 0.237 nan 8.280 nan 0.000 0.809 805 I N 0.259 120.969 120.570 0.233 0.000 2.147 805 I HA -0.391 3.778 4.170 -0.001 0.000 0.245 805 I C 2.695 178.864 176.117 0.086 0.000 1.059 805 I CA 2.150 63.532 61.300 0.136 0.000 1.320 805 I CB -0.473 37.617 38.000 0.150 0.000 1.021 805 I HN 0.190 nan 8.210 nan 0.000 0.415 806 R N 1.740 122.273 120.500 0.056 0.000 2.113 806 R HA -0.185 4.154 4.340 -0.001 0.000 0.244 806 R C 2.153 178.400 176.300 -0.090 0.000 1.142 806 R CA 2.214 58.294 56.100 -0.033 0.000 0.953 806 R CB -1.385 28.854 30.300 -0.102 0.000 0.860 806 R HN 0.413 nan 8.270 nan 0.000 0.438 807 G N 0.747 109.464 108.800 -0.137 0.000 2.480 807 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.216 807 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.216 807 G C 1.632 176.532 174.900 -0.001 0.000 1.200 807 G CA 1.139 46.172 45.100 -0.111 0.000 0.782 807 G HN 0.377 nan 8.290 nan 0.000 0.554 808 I N 0.337 120.928 120.570 0.034 0.000 2.229 808 I HA -0.257 3.913 4.170 -0.001 0.000 0.250 808 I C 2.757 178.953 176.117 0.132 0.000 1.096 808 I CA 0.849 62.195 61.300 0.077 0.000 1.358 808 I CB -0.304 37.736 38.000 0.067 0.000 1.047 808 I HN 0.161 nan 8.210 nan 0.000 0.422 809 L N 0.078 121.340 121.223 0.064 0.000 1.994 809 L HA -0.241 4.098 4.340 -0.001 0.000 0.208 809 L C 2.778 179.640 176.870 -0.012 0.000 1.071 809 L CA 2.107 56.965 54.840 0.031 0.000 0.745 809 L CB -0.463 41.588 42.059 -0.014 0.000 0.892 809 L HN 0.270 nan 8.230 nan 0.000 0.431 810 T N -1.818 112.701 114.554 -0.059 0.000 2.897 810 T HA -0.293 4.056 4.350 -0.001 0.000 0.271 810 T C 1.666 176.330 174.700 -0.060 0.000 1.084 810 T CA 1.495 63.535 62.100 -0.099 0.000 1.123 810 T CB -0.285 68.516 68.868 -0.111 0.000 0.865 810 T HN 0.463 nan 8.240 nan 0.000 0.496 811 Y N 1.882 122.115 120.300 -0.111 0.000 2.184 811 Y HA 0.035 4.585 4.550 -0.001 0.000 0.290 811 Y C 2.305 178.182 175.900 -0.038 0.000 1.129 811 Y CA 1.700 59.749 58.100 -0.086 0.000 1.144 811 Y CB -0.368 38.090 38.460 -0.002 0.000 0.995 811 Y HN 0.225 nan 8.280 nan 0.000 0.513 812 N N 0.475 119.231 118.700 0.094 0.000 2.459 812 N HA -0.095 4.644 4.740 -0.001 0.000 0.181 812 N C 1.597 177.071 175.510 -0.061 0.000 1.046 812 N CA 0.960 54.013 53.050 0.004 0.000 0.904 812 N CB -0.132 38.438 38.487 0.139 0.000 0.964 812 N HN 0.539 nan 8.380 nan 0.000 0.444 813 R N 0.655 121.118 120.500 -0.063 0.000 2.093 813 R HA 0.135 4.475 4.340 -0.001 0.000 0.224 813 R C 2.085 178.356 176.300 -0.048 0.000 1.101 813 R CA 0.979 57.050 56.100 -0.049 0.000 0.979 813 R CB -0.129 30.122 30.300 -0.082 0.000 0.877 813 R HN 0.086 nan 8.270 nan 0.000 0.441 814 A N 0.999 123.768 122.820 -0.086 0.000 2.016 814 A HA -0.034 4.285 4.320 -0.001 0.000 0.217 814 A C 1.865 179.359 177.584 -0.150 0.000 1.162 814 A CA 0.697 52.702 52.037 -0.054 0.000 0.662 814 A CB -0.058 18.916 19.000 -0.042 0.000 0.812 814 A HN 0.106 nan 8.150 nan 0.000 0.450 815 I N -0.102 120.289 120.570 -0.298 0.000 3.291 815 I HA -0.041 4.128 4.170 -0.001 0.000 0.279 815 I C 1.950 177.982 176.117 -0.142 0.000 1.294 815 I CA 0.593 61.703 61.300 -0.316 0.000 1.428 815 I CB -0.280 37.372 38.000 -0.580 0.000 1.070 815 I HN 0.207 nan 8.210 nan 0.000 0.478 816 K N 0.121 120.468 120.400 -0.087 0.000 2.077 816 K HA -0.219 4.100 4.320 -0.001 0.000 0.213 816 K C 1.956 178.545 176.600 -0.019 0.000 1.051 816 K CA 1.713 57.981 56.287 -0.032 0.000 0.929 816 K CB -0.651 31.843 32.500 -0.009 0.000 0.715 816 K HN 0.494 nan 8.250 nan 0.000 0.451 817 G N 1.351 110.138 108.800 -0.022 0.000 2.572 817 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.216 817 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.216 817 G C 0.752 175.642 174.900 -0.016 0.000 1.133 817 G CA 0.716 45.809 45.100 -0.012 0.000 0.791 817 G HN 0.551 nan 8.290 nan 0.000 0.538 818 N N 1.320 120.000 118.700 -0.033 0.000 2.476 818 N HA -0.421 4.319 4.740 -0.001 0.000 0.149 818 N C 1.021 176.520 175.510 -0.018 0.000 0.173 818 N CA 2.063 55.092 53.050 -0.034 0.000 1.981 818 N CB -0.990 37.483 38.487 -0.024 0.000 0.979 818 N HN 0.637 nan 8.380 nan 0.000 0.769 819 I N 1.983 122.548 120.570 -0.007 0.000 6.063 819 I HA -0.309 3.860 4.170 -0.001 0.000 0.126 819 I C 0.401 176.519 176.117 0.001 0.000 1.820 819 I CA 0.986 62.285 61.300 -0.001 0.000 2.040 819 I CB -1.390 36.608 38.000 -0.003 0.000 3.431 819 I HN 0.457 nan 8.210 nan 0.000 0.170 820 D N -0.066 120.335 120.400 0.003 0.000 4.428 820 D HA -0.394 4.246 4.640 -0.001 0.000 0.207 820 D C 1.719 178.020 176.300 0.002 0.000 0.964 820 D CA 2.789 56.791 54.000 0.003 0.000 2.109 820 D CB -1.267 39.535 40.800 0.003 0.000 1.140 820 D HN 0.634 nan 8.370 nan 0.000 0.408 821 A N 1.288 124.109 122.820 0.001 0.000 1.962 821 A HA -0.246 4.074 4.320 -0.001 0.000 0.239 821 A C -1.298 176.298 177.584 0.020 0.000 1.810 821 A CA 2.809 54.849 52.037 0.005 0.000 0.738 821 A CB -2.029 16.974 19.000 0.005 0.000 0.839 821 A HN 0.474 nan 8.150 nan 0.000 0.533 822 P HA 0.171 nan 4.420 nan 0.000 0.279 822 P C -0.392 176.967 177.300 0.099 0.000 1.318 822 P CA -0.201 62.942 63.100 0.071 0.000 0.819 822 P CB 0.452 32.171 31.700 0.031 0.000 0.927 823 Q N 2.456 122.324 119.800 0.114 0.000 2.414 823 Q HA 0.096 4.435 4.340 -0.001 0.000 0.288 823 Q C -0.263 175.832 176.000 0.159 0.000 1.086 823 Q CA 0.034 55.882 55.803 0.075 0.000 0.943 823 Q CB 0.612 29.364 28.738 0.023 0.000 1.282 823 Q HN 0.267 nan 8.270 nan 0.000 0.438 824 V N 2.430 122.403 119.914 0.098 0.000 2.863 824 V HA 0.365 4.484 4.120 -0.001 0.000 0.307 824 V C -0.144 176.039 176.094 0.148 0.000 1.061 824 V CA -0.831 61.570 62.300 0.168 0.000 1.024 824 V CB 1.529 33.424 31.823 0.119 0.000 1.049 824 V HN 0.566 nan 8.190 nan 0.000 0.471 825 V N 1.629 121.666 119.914 0.205 0.000 2.394 825 V HA 0.456 4.576 4.120 -0.001 0.000 0.282 825 V C -0.026 176.230 176.094 0.270 0.000 1.031 825 V CA -0.358 62.078 62.300 0.226 0.000 0.881 825 V CB 1.157 33.061 31.823 0.136 0.000 0.982 825 V HN 1.009 nan 8.190 nan 0.000 0.451 826 E N 3.720 124.188 120.200 0.446 0.000 2.207 826 E HA 0.481 4.831 4.350 -0.001 0.000 0.250 826 E C 0.684 177.404 176.600 0.200 0.000 0.890 826 E CA -0.431 56.182 56.400 0.357 0.000 0.749 826 E CB 0.979 30.939 29.700 0.433 0.000 1.193 826 E HN 1.059 nan 8.360 nan 0.000 0.423 827 G N 3.877 112.728 108.800 0.085 0.000 2.158 827 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.257 827 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.257 827 G C 0.066 174.856 174.900 -0.183 0.000 0.811 827 G CA 1.344 46.432 45.100 -0.019 0.000 1.178 827 G HN 0.538 nan 8.290 nan 0.000 0.389 828 E N -0.410 119.640 120.200 -0.249 0.000 2.343 828 E HA 0.460 4.810 4.350 -0.001 0.000 0.257 828 E C -0.003 176.428 176.600 -0.281 0.000 1.079 828 E CA -0.908 55.227 56.400 -0.442 0.000 0.891 828 E CB 0.439 29.432 29.700 -1.178 0.000 1.732 828 E HN 0.224 nan 8.360 nan 0.000 0.465 829 K N 0.434 120.652 120.400 -0.303 0.000 2.451 829 K HA 0.380 4.699 4.320 -0.001 0.000 0.280 829 K C -0.529 175.919 176.600 -0.254 0.000 1.020 829 K CA 0.023 56.165 56.287 -0.241 0.000 1.008 829 K CB 0.527 32.886 32.500 -0.235 0.000 0.917 829 K HN 0.172 nan 8.250 nan 0.000 0.478 830 V N 2.782 122.512 119.914 -0.307 0.000 3.167 830 V HA 0.196 4.315 4.120 -0.001 0.000 0.310 830 V C -0.296 175.459 176.094 -0.566 0.000 1.207 830 V CA -0.762 61.316 62.300 -0.370 0.000 1.059 830 V CB 1.522 33.234 31.823 -0.185 0.000 1.079 830 V HN 0.677 nan 8.190 nan 0.000 0.446 831 Y N 0.883 120.858 120.300 -0.540 0.000 2.380 831 Y HA 0.495 5.044 4.550 -0.001 0.000 0.255 831 Y C 0.576 176.291 175.900 -0.307 0.000 1.051 831 Y CA 0.870 58.557 58.100 -0.688 0.000 1.097 831 Y CB 0.123 37.490 38.460 -1.822 0.000 1.034 831 Y HN 0.317 nan 8.280 nan 0.000 0.479 832 V N 1.029 120.987 119.914 0.074 0.000 3.288 832 V HA -0.170 3.949 4.120 -0.001 0.000 0.473 832 V C -1.028 175.248 176.094 0.303 0.000 0.682 832 V CA -0.914 61.525 62.300 0.231 0.000 2.015 832 V CB -1.559 30.363 31.823 0.166 0.000 2.472 832 V HN 0.284 nan 8.190 nan 0.000 0.499 833 L N 4.984 126.411 121.223 0.339 0.000 2.409 833 L HA 0.588 4.927 4.340 -0.001 0.000 0.255 833 L C -2.014 175.038 176.870 0.302 0.000 1.027 833 L CA -2.012 53.004 54.840 0.292 0.000 0.834 833 L CB 2.767 44.992 42.059 0.277 0.000 1.426 833 L HN 0.423 nan 8.230 nan 0.000 0.411 834 P HA 0.064 nan 4.420 nan 0.000 0.248 834 P C -1.278 176.177 177.300 0.259 0.000 1.331 834 P CA 0.076 63.352 63.100 0.293 0.000 0.699 834 P CB 0.315 32.137 31.700 0.204 0.000 1.196 835 L N -2.640 118.731 121.223 0.247 0.000 5.628 835 L HA 0.019 4.359 4.340 -0.001 0.000 0.236 835 L C 0.157 177.176 176.870 0.247 0.000 1.213 835 L CA -0.161 54.835 54.840 0.259 0.000 0.793 835 L CB -0.128 42.053 42.059 0.203 0.000 1.486 835 L HN 0.289 nan 8.230 nan 0.000 0.271 836 R N 0.761 121.458 120.500 0.328 0.000 3.271 836 R HA 0.146 4.486 4.340 -0.001 0.000 0.245 836 R C 0.064 176.460 176.300 0.160 0.000 1.112 836 R CA -0.248 56.030 56.100 0.297 0.000 1.102 836 R CB 0.367 30.928 30.300 0.434 0.000 0.928 836 R HN 0.430 nan 8.270 nan 0.000 0.497 837 E N -0.301 119.988 120.200 0.149 0.000 2.331 837 E HA 0.176 4.526 4.350 -0.001 0.000 0.272 837 E C 0.312 176.823 176.600 -0.149 0.000 1.036 837 E CA 0.969 57.388 56.400 0.031 0.000 0.864 837 E CB 1.070 30.817 29.700 0.078 0.000 1.035 837 E HN 0.645 nan 8.360 nan 0.000 0.408 838 G N 3.486 112.178 108.800 -0.181 0.000 2.180 838 G HA2 -0.401 3.558 3.960 -0.001 0.000 0.263 838 G HA3 -0.401 3.558 3.960 -0.001 0.000 0.263 838 G C 0.187 174.739 174.900 -0.580 0.000 0.989 838 G CA 0.707 45.645 45.100 -0.269 0.000 0.692 838 G HN 0.775 nan 8.290 nan 0.000 0.526 839 N N 0.290 118.488 118.700 -0.837 0.000 2.329 839 N HA 0.320 5.060 4.740 -0.001 0.000 0.237 839 N C -1.062 173.932 175.510 -0.860 0.000 1.258 839 N CA -0.673 51.566 53.050 -1.351 0.000 0.866 839 N CB 0.357 38.365 38.487 -0.798 0.000 1.102 839 N HN 0.164 nan 8.380 nan 0.000 0.440 840 P HA -0.019 nan 4.420 nan 0.000 0.285 840 P C -0.925 175.559 177.300 -1.361 0.000 1.521 840 P CA 0.602 63.072 63.100 -1.050 0.000 0.792 840 P CB -0.663 30.480 31.700 -0.930 0.000 1.613 841 F N -2.070 117.781 119.950 -0.166 0.000 3.031 841 F HA 0.366 4.893 4.527 -0.001 0.000 0.365 841 F C 1.427 177.159 175.800 -0.114 0.000 1.128 841 F CA -0.013 57.916 58.000 -0.118 0.000 1.068 841 F CB -0.203 38.735 39.000 -0.102 0.000 1.280 841 F HN 0.117 nan 8.300 nan 0.000 0.529 842 G N 1.197 109.998 108.800 0.003 0.000 2.645 842 G HA2 -0.064 3.896 3.960 -0.001 0.000 0.246 842 G HA3 -0.064 3.896 3.960 -0.001 0.000 0.246 842 G C -0.505 174.416 174.900 0.035 0.000 1.322 842 G CA -0.228 44.879 45.100 0.010 0.000 0.898 842 G HN 0.402 nan 8.290 nan 0.000 0.573 843 D N -2.160 118.249 120.400 0.015 0.000 9.888 843 D HA -0.113 4.527 4.640 -0.001 0.000 0.356 843 D C 0.642 176.949 176.300 0.012 0.000 2.948 843 D CA 1.502 55.495 54.000 -0.012 0.000 2.242 843 D CB -0.209 40.558 40.800 -0.056 0.000 1.138 843 D HN 0.827 nan 8.370 nan 0.000 1.101 844 K N -0.560 119.828 120.400 -0.021 0.000 2.706 844 K HA 0.475 4.795 4.320 -0.001 0.000 0.203 844 K C -1.162 175.473 176.600 0.058 0.000 1.102 844 K CA 0.013 56.337 56.287 0.062 0.000 1.058 844 K CB 0.500 33.087 32.500 0.144 0.000 0.779 844 K HN 0.645 nan 8.250 nan 0.000 0.483 845 C N -1.797 117.461 119.300 -0.070 0.000 3.303 845 C HA 0.650 5.110 4.460 -0.001 0.000 0.340 845 C C -1.195 173.757 174.990 -0.064 0.000 1.274 845 C CA -1.275 57.710 59.018 -0.056 0.000 1.234 845 C CB 0.712 28.234 27.740 -0.363 0.000 1.532 845 C HN 0.024 nan 8.230 nan 0.000 0.483 846 I N 0.861 121.455 120.570 0.040 0.000 3.239 846 I HA 0.958 5.127 4.170 -0.001 0.000 0.314 846 I C 0.253 176.484 176.117 0.189 0.000 1.126 846 I CA -0.548 60.791 61.300 0.066 0.000 0.973 846 I CB 1.464 39.491 38.000 0.045 0.000 1.252 846 I HN 1.413 nan 8.210 nan 0.000 0.463 847 A N 1.605 124.563 122.820 0.230 0.000 2.565 847 A HA 0.668 4.987 4.320 -0.001 0.000 0.298 847 A C -1.977 175.673 177.584 0.110 0.000 1.062 847 A CA -0.585 51.588 52.037 0.227 0.000 0.723 847 A CB 1.058 20.096 19.000 0.063 0.000 1.282 847 A HN 0.854 nan 8.150 nan 0.000 0.400 848 W N 1.081 122.286 121.300 -0.159 0.000 3.032 848 W HA 0.820 5.479 4.660 -0.001 0.000 0.341 848 W C -3.265 173.236 176.519 -0.032 0.000 1.202 848 W CA -2.768 54.381 57.345 -0.327 0.000 1.132 848 W CB 0.430 29.782 29.460 -0.179 0.000 1.465 848 W HN 0.454 nan 8.180 nan 0.000 0.576 849 P HA 0.013 nan 4.420 nan 0.000 0.266 849 P C 0.154 177.385 177.300 -0.115 0.000 1.195 849 P CA 0.315 63.411 63.100 -0.005 0.000 0.768 849 P CB 1.100 32.888 31.700 0.147 0.000 0.838 850 S N 2.746 118.280 115.700 -0.278 0.000 2.584 850 S HA 0.352 4.822 4.470 -0.001 0.000 0.270 850 S C 1.519 176.142 174.600 0.038 0.000 1.346 850 S CA 0.589 58.498 58.200 -0.485 0.000 1.018 850 S CB -0.810 62.071 63.200 -0.532 0.000 0.899 850 S HN 0.916 nan 8.310 nan 0.000 0.542 851 G N 1.304 110.214 108.800 0.183 0.000 2.196 851 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.268 851 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.268 851 G C 0.397 175.431 174.900 0.224 0.000 0.975 851 G CA 1.225 46.428 45.100 0.172 0.000 0.648 851 G HN 1.719 nan 8.290 nan 0.000 0.538 852 T N -2.890 111.870 114.554 0.344 0.000 2.927 852 T HA 0.737 5.087 4.350 -0.001 0.000 0.286 852 T C -0.312 174.684 174.700 0.493 0.000 1.040 852 T CA -0.517 61.799 62.100 0.361 0.000 1.010 852 T CB 2.881 71.957 68.868 0.346 0.000 1.177 852 T HN 0.140 nan 8.240 nan 0.000 0.546 853 E N 0.179 120.602 120.200 0.372 0.000 2.239 853 E HA 0.471 4.820 4.350 -0.001 0.000 0.261 853 E C -0.246 176.445 176.600 0.152 0.000 1.016 853 E CA -0.805 55.785 56.400 0.317 0.000 0.882 853 E CB 1.825 31.638 29.700 0.190 0.000 1.190 853 E HN 0.560 nan 8.360 nan 0.000 0.415 854 I N 1.163 121.654 120.570 -0.132 0.000 2.612 854 I HA 0.072 4.242 4.170 -0.001 0.000 0.295 854 I C 0.435 176.468 176.117 -0.140 0.000 1.011 854 I CA -0.225 60.845 61.300 -0.383 0.000 1.326 854 I CB 1.277 38.827 38.000 -0.750 0.000 1.427 854 I HN 0.405 nan 8.210 nan 0.000 0.537 855 T N 2.029 116.529 114.554 -0.089 0.000 2.897 855 T HA 0.096 4.445 4.350 -0.001 0.000 0.294 855 T C 0.534 175.192 174.700 -0.070 0.000 1.004 855 T CA -0.601 61.472 62.100 -0.045 0.000 1.106 855 T CB 0.958 69.818 68.868 -0.015 0.000 0.949 855 T HN 0.479 nan 8.240 nan 0.000 0.520 856 D N 1.447 121.821 120.400 -0.044 0.000 2.126 856 D HA -0.189 4.451 4.640 -0.001 0.000 0.190 856 D C 2.227 178.504 176.300 -0.038 0.000 1.001 856 D CA 1.398 55.373 54.000 -0.041 0.000 0.841 856 D CB -0.489 40.298 40.800 -0.021 0.000 0.949 856 D HN 0.700 nan 8.370 nan 0.000 0.446 857 L N -0.586 120.620 121.223 -0.029 0.000 2.270 857 L HA -0.154 4.185 4.340 -0.001 0.000 0.217 857 L C 1.916 178.780 176.870 -0.011 0.000 1.107 857 L CA 1.508 56.337 54.840 -0.019 0.000 0.772 857 L CB -0.920 41.129 42.059 -0.017 0.000 0.902 857 L HN 0.271 nan 8.230 nan 0.000 0.439 858 I N -4.317 116.237 120.570 -0.027 0.000 3.873 858 I HA 0.085 4.254 4.170 -0.001 0.000 0.284 858 I C 2.421 178.516 176.117 -0.036 0.000 1.186 858 I CA -0.062 61.237 61.300 -0.002 0.000 1.362 858 I CB -0.548 37.440 38.000 -0.022 0.000 1.432 858 I HN -0.048 nan 8.210 nan 0.000 0.454 859 K N 2.443 122.771 120.400 -0.120 0.000 2.067 859 K HA -0.372 3.948 4.320 -0.001 0.000 0.226 859 K C 1.362 177.866 176.600 -0.160 0.000 1.046 859 K CA 3.213 59.373 56.287 -0.213 0.000 0.967 859 K CB -0.891 31.467 32.500 -0.237 0.000 0.749 859 K HN 0.473 nan 8.250 nan 0.000 0.456 860 D N 0.694 121.037 120.400 -0.096 0.000 2.182 860 D HA -0.132 4.507 4.640 -0.001 0.000 0.201 860 D C 1.714 178.014 176.300 0.001 0.000 0.986 860 D CA 1.570 55.535 54.000 -0.058 0.000 0.847 860 D CB -0.074 40.700 40.800 -0.044 0.000 0.942 860 D HN 0.400 nan 8.370 nan 0.000 0.467 861 D N -0.143 120.285 120.400 0.046 0.000 2.091 861 D HA -0.089 4.551 4.640 -0.001 0.000 0.199 861 D C 2.306 178.785 176.300 0.299 0.000 0.980 861 D CA 0.589 54.678 54.000 0.148 0.000 0.831 861 D CB -0.207 40.742 40.800 0.248 0.000 0.987 861 D HN 0.093 nan 8.370 nan 0.000 0.460 862 V N 1.990 122.044 119.914 0.234 0.000 2.214 862 V HA -0.286 3.834 4.120 -0.001 0.000 0.247 862 V C 2.818 179.006 176.094 0.156 0.000 1.051 862 V CA 1.584 64.005 62.300 0.201 0.000 1.003 862 V CB -0.862 30.929 31.823 -0.054 0.000 0.635 862 V HN 0.128 nan 8.190 nan 0.000 0.447 863 L N -0.255 120.960 121.223 -0.013 0.000 2.051 863 L HA -0.291 4.048 4.340 -0.001 0.000 0.214 863 L C 2.641 179.552 176.870 0.068 0.000 1.076 863 L CA 2.347 57.177 54.840 -0.017 0.000 0.758 863 L CB -1.173 40.812 42.059 -0.125 0.000 0.890 863 L HN 0.532 nan 8.230 nan 0.000 0.433 864 H N -0.301 118.730 119.070 -0.066 0.000 2.319 864 H HA -0.202 4.354 4.556 -0.001 0.000 0.299 864 H C 0.304 175.489 175.328 -0.239 0.000 1.092 864 H CA 1.317 57.240 56.048 -0.209 0.000 1.302 864 H CB -0.273 29.272 29.762 -0.362 0.000 1.373 864 H HN 0.349 nan 8.280 nan 0.000 0.497 865 W N 1.568 123.041 121.300 0.289 0.000 2.072 865 W HA 0.353 5.013 4.660 -0.001 0.000 0.413 865 W C 0.006 176.631 176.519 0.176 0.000 0.865 865 W CA -0.388 57.107 57.345 0.250 0.000 1.579 865 W CB 0.036 29.683 29.460 0.312 0.000 1.720 865 W HN 0.047 nan 8.180 nan 0.000 0.301 866 M N 2.048 121.870 119.600 0.369 0.000 2.371 866 M HA 0.137 4.616 4.480 -0.001 0.000 0.287 866 M C -1.212 175.297 176.300 0.348 0.000 1.149 866 M CA -0.561 54.935 55.300 0.326 0.000 0.929 866 M CB 1.784 34.539 32.600 0.258 0.000 1.683 866 M HN -0.132 nan 8.290 nan 0.000 0.470 867 D N 3.379 123.941 120.400 0.269 0.000 2.435 867 D HA 0.092 4.731 4.640 -0.001 0.000 0.230 867 D C 0.222 176.658 176.300 0.228 0.000 1.215 867 D CA 0.447 54.599 54.000 0.253 0.000 0.947 867 D CB 0.349 41.274 40.800 0.208 0.000 1.048 867 D HN 0.498 nan 8.370 nan 0.000 0.512 868 Y N 1.256 121.657 120.300 0.170 0.000 2.089 868 Y HA -0.263 4.286 4.550 -0.001 0.000 0.282 868 Y C 2.630 178.629 175.900 0.164 0.000 1.139 868 Y CA 1.654 59.895 58.100 0.235 0.000 1.123 868 Y CB -0.607 37.979 38.460 0.209 0.000 0.980 868 Y HN 0.351 nan 8.280 nan 0.000 0.493 869 T N -1.405 113.293 114.554 0.241 0.000 2.580 869 T HA -0.261 4.089 4.350 -0.001 0.000 0.265 869 T C 2.051 176.790 174.700 0.064 0.000 1.063 869 T CA 1.801 63.965 62.100 0.108 0.000 1.170 869 T CB -1.303 67.626 68.868 0.103 0.000 0.863 869 T HN 0.116 nan 8.240 nan 0.000 0.418 870 V N 2.052 122.020 119.914 0.090 0.000 2.233 870 V HA -0.232 3.888 4.120 -0.001 0.000 0.252 870 V C 2.602 178.718 176.094 0.036 0.000 1.063 870 V CA 2.162 64.500 62.300 0.063 0.000 1.032 870 V CB -0.972 30.907 31.823 0.092 0.000 0.645 870 V HN 0.441 nan 8.190 nan 0.000 0.446 871 L N -0.962 120.301 121.223 0.067 0.000 1.971 871 L HA -0.263 4.076 4.340 -0.001 0.000 0.215 871 L C 2.480 179.382 176.870 0.053 0.000 1.072 871 L CA 2.093 56.980 54.840 0.078 0.000 0.758 871 L CB -0.402 41.736 42.059 0.132 0.000 0.889 871 L HN 0.347 nan 8.230 nan 0.000 0.433 872 L N -0.248 120.940 121.223 -0.057 0.000 1.997 872 L HA -0.339 4.001 4.340 -0.001 0.000 0.216 872 L C 2.605 179.428 176.870 -0.078 0.000 1.074 872 L CA 1.980 56.610 54.840 -0.350 0.000 0.763 872 L CB -0.432 41.265 42.059 -0.603 0.000 0.890 872 L HN 0.453 nan 8.230 nan 0.000 0.434 873 E N -0.197 119.978 120.200 -0.042 0.000 2.002 873 E HA -0.286 4.063 4.350 -0.001 0.000 0.205 873 E C 2.020 178.617 176.600 -0.005 0.000 1.020 873 E CA 1.472 57.865 56.400 -0.011 0.000 0.856 873 E CB -0.301 29.395 29.700 -0.007 0.000 0.788 873 E HN 0.436 nan 8.360 nan 0.000 0.477 874 K N 0.017 120.406 120.400 -0.018 0.000 2.044 874 K HA -0.265 4.055 4.320 -0.001 0.000 0.224 874 K C 2.518 179.119 176.600 0.001 0.000 1.056 874 K CA 2.603 58.868 56.287 -0.037 0.000 0.962 874 K CB -0.954 31.497 32.500 -0.081 0.000 0.730 874 K HN 0.400 nan 8.250 nan 0.000 0.453 875 T N -1.292 113.294 114.554 0.053 0.000 2.777 875 T HA -0.120 4.229 4.350 -0.001 0.000 0.266 875 T C 1.831 176.669 174.700 0.230 0.000 1.040 875 T CA 1.087 63.264 62.100 0.127 0.000 1.141 875 T CB -0.281 68.695 68.868 0.179 0.000 0.868 875 T HN 0.143 nan 8.240 nan 0.000 0.444 876 F N 1.223 121.179 119.950 0.010 0.000 2.389 876 F HA 0.382 4.908 4.527 -0.001 0.000 0.275 876 F C 1.810 177.594 175.800 -0.026 0.000 1.009 876 F CA -0.825 57.190 58.000 0.025 0.000 1.187 876 F CB -0.464 38.537 39.000 0.002 0.000 1.139 876 F HN -0.046 nan 8.300 nan 0.000 0.613 877 I N 1.122 121.599 120.570 -0.155 0.000 2.179 877 I HA -0.263 3.906 4.170 -0.001 0.000 0.242 877 I C 2.407 178.365 176.117 -0.266 0.000 1.088 877 I CA 1.509 62.599 61.300 -0.350 0.000 1.357 877 I CB -1.015 36.874 38.000 -0.185 0.000 1.051 877 I HN 0.098 nan 8.210 nan 0.000 0.409 878 K N 1.091 121.407 120.400 -0.140 0.000 2.013 878 K HA -0.235 4.084 4.320 -0.001 0.000 0.225 878 K C -0.451 176.038 176.600 -0.186 0.000 1.056 878 K CA 2.735 58.947 56.287 -0.124 0.000 0.971 878 K CB -1.319 31.134 32.500 -0.079 0.000 0.731 878 K HN 0.242 nan 8.250 nan 0.000 0.450 879 P HA -0.196 nan 4.420 nan 0.000 0.217 879 P C 1.783 178.764 177.300 -0.533 0.000 1.150 879 P CA 1.275 64.203 63.100 -0.288 0.000 0.832 879 P CB -0.150 31.523 31.700 -0.044 0.000 0.787 880 L N 0.009 121.114 121.223 -0.196 0.000 1.997 880 L HA -0.236 4.104 4.340 -0.001 0.000 0.216 880 L C 2.732 179.477 176.870 -0.208 0.000 1.074 880 L CA 2.244 57.045 54.840 -0.066 0.000 0.763 880 L CB -0.989 40.710 42.059 -0.600 0.000 0.890 880 L HN 0.025 nan 8.230 nan 0.000 0.434 881 E N -0.411 119.627 120.200 -0.270 0.000 2.114 881 E HA -0.226 4.124 4.350 -0.001 0.000 0.199 881 E C 1.929 178.397 176.600 -0.220 0.000 1.008 881 E CA 1.634 57.950 56.400 -0.140 0.000 0.810 881 E CB -0.436 29.195 29.700 -0.115 0.000 0.739 881 E HN 0.564 nan 8.360 nan 0.000 0.456 882 G N -0.030 108.508 108.800 -0.437 0.000 2.631 882 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.219 882 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.219 882 G C 1.266 175.920 174.900 -0.410 0.000 1.214 882 G CA 1.549 46.332 45.100 -0.529 0.000 0.785 882 G HN 0.343 nan 8.290 nan 0.000 0.596 883 F N 1.689 121.604 119.950 -0.058 0.000 2.075 883 F HA -0.050 4.476 4.527 -0.001 0.000 0.297 883 F C 3.220 178.819 175.800 -0.334 0.000 1.113 883 F CA 1.757 59.650 58.000 -0.178 0.000 1.218 883 F CB -1.512 37.344 39.000 -0.240 0.000 0.984 883 F HN 0.262 nan 8.300 nan 0.000 0.472 884 T N -2.251 112.285 114.554 -0.031 0.000 2.759 884 T HA -0.189 4.161 4.350 -0.001 0.000 0.269 884 T C 2.010 176.671 174.700 -0.066 0.000 1.042 884 T CA 1.656 63.721 62.100 -0.058 0.000 1.140 884 T CB -0.959 67.942 68.868 0.055 0.000 0.864 884 T HN 0.239 nan 8.240 nan 0.000 0.455 885 S N 2.232 117.899 115.700 -0.055 0.000 2.343 885 S HA 0.091 4.560 4.470 -0.001 0.000 0.219 885 S C 2.720 177.304 174.600 -0.025 0.000 1.033 885 S CA 1.084 59.260 58.200 -0.041 0.000 1.014 885 S CB -1.099 62.075 63.200 -0.042 0.000 0.915 885 S HN 0.794 nan 8.310 nan 0.000 0.435 886 A N 1.288 124.107 122.820 -0.001 0.000 1.917 886 A HA 0.070 4.390 4.320 -0.001 0.000 0.219 886 A C 2.039 179.647 177.584 0.040 0.000 1.182 886 A CA 1.819 53.899 52.037 0.073 0.000 0.633 886 A CB -0.767 18.361 19.000 0.212 0.000 0.819 886 A HN 0.565 nan 8.150 nan 0.000 0.448 887 A N -1.864 120.912 122.820 -0.075 0.000 2.423 887 A HA 0.403 4.722 4.320 -0.001 0.000 0.246 887 A C 0.572 178.099 177.584 -0.096 0.000 1.278 887 A CA 0.361 52.333 52.037 -0.108 0.000 0.903 887 A CB -0.020 18.816 19.000 -0.275 0.000 0.997 887 A HN 0.306 nan 8.150 nan 0.000 0.510 888 K N -0.684 119.673 120.400 -0.072 0.000 3.071 888 K HA -0.172 4.147 4.320 -0.001 0.000 0.265 888 K C -0.549 176.015 176.600 -0.061 0.000 1.060 888 K CA 0.842 57.095 56.287 -0.058 0.000 0.767 888 K CB -2.736 29.735 32.500 -0.048 0.000 1.241 888 K HN 0.576 nan 8.250 nan 0.000 0.486 889 L N 0.120 121.301 121.223 -0.070 0.000 2.346 889 L HA 0.441 4.780 4.340 -0.001 0.000 0.274 889 L C 0.458 177.297 176.870 -0.051 0.000 1.007 889 L CA -0.839 53.967 54.840 -0.057 0.000 0.818 889 L CB 1.737 43.756 42.059 -0.067 0.000 1.284 889 L HN -0.051 nan 8.230 nan 0.000 0.424 890 D N 0.655 121.018 120.400 -0.062 0.000 2.163 890 D HA 0.184 4.823 4.640 -0.001 0.000 0.248 890 D C -0.200 176.043 176.300 -0.095 0.000 1.035 890 D CA -0.197 53.720 54.000 -0.137 0.000 0.872 890 D CB 2.080 42.798 40.800 -0.137 0.000 1.183 890 D HN 0.499 nan 8.370 nan 0.000 0.445 891 Y N -0.057 120.170 120.300 -0.122 0.000 2.457 891 Y HA 0.373 4.923 4.550 -0.001 0.000 0.263 891 Y C -0.094 175.826 175.900 0.033 0.000 1.164 891 Y CA -0.376 57.641 58.100 -0.137 0.000 1.274 891 Y CB 0.349 38.545 38.460 -0.440 0.000 1.097 891 Y HN 0.103 nan 8.280 nan 0.000 0.523 892 E N 1.017 121.137 120.200 -0.133 0.000 2.314 892 E HA 0.273 4.622 4.350 -0.001 0.000 0.272 892 E C -1.387 175.204 176.600 -0.015 0.000 0.884 892 E CA -1.073 55.354 56.400 0.045 0.000 0.753 892 E CB 2.035 31.757 29.700 0.037 0.000 1.213 892 E HN 0.081 nan 8.360 nan 0.000 0.432 893 K N 2.502 122.928 120.400 0.043 0.000 2.339 893 K HA 0.115 4.435 4.320 -0.001 0.000 0.286 893 K C -0.578 176.032 176.600 0.016 0.000 1.050 893 K CA -0.322 55.982 56.287 0.028 0.000 0.956 893 K CB 0.462 32.993 32.500 0.052 0.000 0.990 893 K HN 0.348 nan 8.250 nan 0.000 0.475 894 K N 3.293 123.693 120.400 0.000 0.000 2.315 894 K HA 0.010 4.329 4.320 -0.001 0.000 0.281 894 K C -0.045 176.570 176.600 0.024 0.000 1.086 894 K CA -0.062 56.224 56.287 -0.001 0.000 1.042 894 K CB 0.257 32.751 32.500 -0.010 0.000 0.949 894 K HN 0.688 nan 8.250 nan 0.000 0.450 895 A N 3.301 126.136 122.820 0.026 0.000 2.188 895 A HA -0.142 4.178 4.320 -0.001 0.000 0.321 895 A C 0.563 178.179 177.584 0.053 0.000 0.965 895 A CA 0.590 52.649 52.037 0.037 0.000 1.361 895 A CB -0.476 18.535 19.000 0.019 0.000 0.707 895 A HN 0.610 nan 8.150 nan 0.000 0.338 896 S N 2.311 118.066 115.700 0.092 0.000 2.481 896 S HA 0.327 4.796 4.470 -0.001 0.000 0.276 896 S C 1.519 176.208 174.600 0.148 0.000 1.247 896 S CA -0.473 57.810 58.200 0.138 0.000 1.053 896 S CB -0.249 63.077 63.200 0.210 0.000 0.925 896 S HN 0.713 nan 8.310 nan 0.000 0.491 897 L N 5.703 126.975 121.223 0.081 0.000 2.251 897 L HA -0.225 4.115 4.340 -0.001 0.000 0.226 897 L C 1.777 178.662 176.870 0.024 0.000 1.103 897 L CA 1.926 56.769 54.840 0.005 0.000 0.827 897 L CB -1.627 40.400 42.059 -0.052 0.000 0.907 897 L HN 0.653 nan 8.230 nan 0.000 0.449 898 F N 0.349 120.347 119.950 0.079 0.000 2.605 898 F HA -0.133 4.393 4.527 -0.001 0.000 0.296 898 F C 1.581 177.455 175.800 0.123 0.000 1.146 898 F CA 0.103 58.204 58.000 0.169 0.000 1.478 898 F CB -0.900 38.219 39.000 0.199 0.000 1.107 898 F HN 0.243 nan 8.300 nan 0.000 0.600 899 D N -1.045 119.464 120.400 0.182 0.000 2.376 899 D HA 0.166 4.805 4.640 -0.001 0.000 0.268 899 D C 1.488 177.714 176.300 -0.123 0.000 1.252 899 D CA 0.023 54.070 54.000 0.080 0.000 1.041 899 D CB 0.214 41.036 40.800 0.037 0.000 1.109 899 D HN -0.026 nan 8.370 nan 0.000 0.552 900 M N -2.827 116.690 119.600 -0.137 0.000 2.857 900 M HA -0.261 4.218 4.480 -0.001 0.000 0.165 900 M C -0.280 175.906 176.300 -0.190 0.000 0.671 900 M CA 1.425 56.564 55.300 -0.269 0.000 0.631 900 M CB -1.489 30.787 32.600 -0.540 0.000 2.295 900 M HN 0.174 nan 8.290 nan 0.000 0.270 901 F N 0.990 120.980 119.950 0.065 0.000 2.425 901 F HA 0.445 4.972 4.527 -0.001 0.000 0.331 901 F C 0.466 176.308 175.800 0.070 0.000 1.085 901 F CA -1.809 56.221 58.000 0.050 0.000 1.028 901 F CB 0.656 39.681 39.000 0.042 0.000 1.177 901 F HN -0.042 nan 8.300 nan 0.000 0.487 902 D N 2.489 123.055 120.400 0.277 0.000 2.943 902 D HA 0.144 4.784 4.640 -0.001 0.000 0.249 902 D C 0.100 176.515 176.300 0.192 0.000 1.231 902 D CA -0.153 53.961 54.000 0.189 0.000 0.979 902 D CB -0.265 40.617 40.800 0.135 0.000 1.053 902 D HN 0.068 nan 8.370 nan 0.000 0.504 903 F N 0.000 120.009 119.950 0.098 0.000 2.286 903 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 903 F CA 0.000 58.024 58.000 0.040 0.000 1.383 903 F CB 0.000 39.002 39.000 0.003 0.000 1.145 903 F HN 0.000 nan 8.300 nan 0.000 0.574