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 1q19_1_C DATA FIRST_RESID 2 DATA SEQUENCE SNSFCVVYKG SDTDINNIQR DFDGKGEALS NGYLFIEQNG HYQKCEMERG DATA SEQUENCE TAYLIGSLYN RTFLIGLAGV WEGEAYLAND AELLALLFTR LGANALALAE DATA SEQUENCE GDFCFFIDEP NGELTVITES RGFSPVHVVQ GKKAWMTNSL KLVTAAEGEG DATA SEQUENCE ALWFEEEALV CQSLMRADTY TPVKNAQRLK PGAVHVLTHD SEGYSFVESR DATA SEQUENCE TLTTPASNQL LALPREPLLA LIDRYLNAPL EDLAPRFDTV GIPLSGGLDS DATA SEQUENCE SLVTALASRH FKKLNTYSIG TELSNEFEFS QQVADALGTH HQMKILSETE DATA SEQUENCE VINGIIESIY YNEIFDGLSA EIQSGLFNVY RQAQGQVSCM LTGYGSDLLF DATA SEQUENCE GGILKPGAQY DNPNQLLAEQ VYRTRWTGEF ATHGASCYGI DIRHPFWSHS DATA SEQUENCE LISLCHALHP DYKIFDNEVK NILREYADSL QLLPKDIVWR KKIGIHEGSS DATA SEQUENCE VNQAFANVLG STVDNYQTKS RFTYRVYQAF LRGRLSITDV TPSQLKDLIK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.652 174.600 0.086 0.000 1.055 2 S CA 0.000 58.336 58.200 0.226 0.000 1.107 2 S CB 0.000 63.365 63.200 0.275 0.000 0.593 3 N N 2.565 121.253 118.700 -0.020 0.000 2.438 3 N HA 0.457 5.194 4.740 -0.005 0.000 0.282 3 N C -0.201 175.192 175.510 -0.195 0.000 1.037 3 N CA 0.050 53.001 53.050 -0.165 0.000 0.942 3 N CB 1.134 39.542 38.487 -0.131 0.000 1.136 3 N HN 0.554 nan 8.380 nan 0.000 0.481 4 S N 2.041 117.484 115.700 -0.427 0.000 2.537 4 S HA 0.014 4.481 4.470 -0.005 0.000 0.280 4 S C -0.284 174.359 174.600 0.072 0.000 1.335 4 S CA 0.057 58.108 58.200 -0.249 0.000 1.025 4 S CB -0.056 62.949 63.200 -0.325 0.000 0.836 4 S HN 0.499 nan 8.310 nan 0.000 0.523 5 F N -0.863 119.080 119.950 -0.012 0.000 2.711 5 F HA 0.799 5.324 4.527 -0.004 0.000 0.313 5 F C -0.720 175.165 175.800 0.141 0.000 1.141 5 F CA -1.067 56.965 58.000 0.054 0.000 0.941 5 F CB 0.835 39.852 39.000 0.028 0.000 1.349 5 F HN 1.179 nan 8.300 nan 0.000 0.464 6 C N 0.332 119.638 119.300 0.011 0.000 3.307 6 C HA 0.894 5.351 4.460 -0.005 0.000 0.333 6 C C -1.800 173.306 174.990 0.194 0.000 1.291 6 C CA -0.946 58.031 59.018 -0.069 0.000 1.273 6 C CB 1.102 28.898 27.740 0.094 0.000 1.580 6 C HN 1.016 nan 8.230 nan 0.000 0.481 7 V N 1.228 121.213 119.914 0.119 0.000 2.656 7 V HA 0.817 4.934 4.120 -0.005 0.000 0.307 7 V C -0.586 175.463 176.094 -0.073 0.000 1.051 7 V CA -0.478 61.840 62.300 0.030 0.000 0.893 7 V CB 1.659 33.411 31.823 -0.120 0.000 0.999 7 V HN 1.084 nan 8.190 nan 0.000 0.426 8 V N 5.318 125.065 119.914 -0.279 0.000 2.444 8 V HA 0.522 4.639 4.120 -0.005 0.000 0.294 8 V C -1.047 174.809 176.094 -0.395 0.000 1.022 8 V CA -0.586 61.265 62.300 -0.748 0.000 0.850 8 V CB 1.462 32.386 31.823 -1.498 0.000 0.992 8 V HN 0.790 nan 8.190 nan 0.000 0.426 9 Y N 7.380 127.423 120.300 -0.429 0.000 2.425 9 Y HA 0.281 4.828 4.550 -0.006 0.000 0.331 9 Y C 1.298 177.028 175.900 -0.283 0.000 1.157 9 Y CA -0.028 57.908 58.100 -0.272 0.000 1.372 9 Y CB 0.541 38.903 38.460 -0.163 0.000 1.253 9 Y HN 0.791 nan 8.280 nan 0.000 0.536 10 K N 2.537 122.464 120.400 -0.789 0.000 2.971 10 K HA -0.202 4.115 4.320 -0.005 0.000 0.265 10 K C 0.373 176.777 176.600 -0.326 0.000 1.052 10 K CA 0.868 56.795 56.287 -0.600 0.000 0.780 10 K CB -1.897 30.234 32.500 -0.616 0.000 1.214 10 K HN 0.970 nan 8.250 nan 0.000 0.478 11 G N 1.016 109.648 108.800 -0.280 0.000 2.614 11 G HA2 0.230 4.187 3.960 -0.005 0.000 0.239 11 G HA3 0.230 4.187 3.960 -0.005 0.000 0.239 11 G C 0.372 175.303 174.900 0.051 0.000 1.240 11 G CA 0.295 45.309 45.100 -0.143 0.000 0.842 11 G HN 0.337 nan 8.290 nan 0.000 0.584 12 S N -0.877 114.880 115.700 0.095 0.000 2.739 12 S HA 0.423 4.890 4.470 -0.005 0.000 0.306 12 S C 0.853 175.539 174.600 0.142 0.000 1.115 12 S CA 0.061 58.350 58.200 0.148 0.000 0.985 12 S CB 1.991 65.222 63.200 0.053 0.000 1.133 12 S HN 0.590 nan 8.310 nan 0.000 0.541 13 D N 0.563 121.034 120.400 0.117 0.000 2.264 13 D HA -0.066 4.572 4.640 -0.005 0.000 0.208 13 D C 1.475 177.737 176.300 -0.063 0.000 0.966 13 D CA 1.465 55.438 54.000 -0.046 0.000 0.864 13 D CB -1.284 39.525 40.800 0.016 0.000 0.933 13 D HN 0.543 nan 8.370 nan 0.000 0.499 14 T N 0.766 115.315 114.554 -0.009 0.000 2.674 14 T HA -0.164 4.183 4.350 -0.005 0.000 0.265 14 T C 1.366 176.062 174.700 -0.007 0.000 1.039 14 T CA 1.523 63.619 62.100 -0.006 0.000 1.150 14 T CB -0.393 68.483 68.868 0.014 0.000 0.864 14 T HN 0.167 nan 8.240 nan 0.000 0.427 15 D N 1.247 121.665 120.400 0.030 0.000 2.126 15 D HA -0.115 4.523 4.640 -0.005 0.000 0.190 15 D C 2.184 178.497 176.300 0.022 0.000 1.001 15 D CA 1.068 55.131 54.000 0.105 0.000 0.841 15 D CB -0.253 40.674 40.800 0.211 0.000 0.949 15 D HN 0.241 nan 8.370 nan 0.000 0.446 16 I N 1.660 122.176 120.570 -0.090 0.000 2.142 16 I HA -0.213 3.954 4.170 -0.005 0.000 0.240 16 I C 2.011 178.039 176.117 -0.148 0.000 1.078 16 I CA 1.019 62.215 61.300 -0.174 0.000 1.343 16 I CB -1.196 36.607 38.000 -0.329 0.000 1.046 16 I HN 0.016 nan 8.210 nan 0.000 0.405 17 N N 1.412 120.047 118.700 -0.108 0.000 2.223 17 N HA -0.166 4.572 4.740 -0.005 0.000 0.185 17 N C 1.504 176.967 175.510 -0.079 0.000 1.016 17 N CA 0.985 53.990 53.050 -0.074 0.000 0.863 17 N CB -0.439 38.018 38.487 -0.051 0.000 0.983 17 N HN 0.422 nan 8.380 nan 0.000 0.429 18 N N 1.125 119.779 118.700 -0.078 0.000 2.188 18 N HA -0.004 4.733 4.740 -0.005 0.000 0.184 18 N C 1.888 177.326 175.510 -0.121 0.000 1.018 18 N CA 0.449 53.450 53.050 -0.081 0.000 0.858 18 N CB -0.110 38.343 38.487 -0.056 0.000 0.989 18 N HN 0.343 nan 8.380 nan 0.000 0.426 19 I N 1.212 121.678 120.570 -0.173 0.000 2.202 19 I HA -0.215 3.952 4.170 -0.005 0.000 0.242 19 I C 1.902 177.896 176.117 -0.205 0.000 1.091 19 I CA 0.950 62.101 61.300 -0.250 0.000 1.368 19 I CB -0.268 37.383 38.000 -0.582 0.000 1.058 19 I HN 0.081 nan 8.210 nan 0.000 0.410 20 Q N 0.276 119.971 119.800 -0.176 0.000 2.508 20 Q HA -0.189 4.148 4.340 -0.005 0.000 0.214 20 Q C 2.128 178.103 176.000 -0.043 0.000 0.979 20 Q CA 0.692 56.481 55.803 -0.023 0.000 0.911 20 Q CB -0.156 28.607 28.738 0.040 0.000 0.969 20 Q HN 0.397 nan 8.270 nan 0.000 0.504 21 R N 0.403 120.845 120.500 -0.096 0.000 2.115 21 R HA -0.108 4.229 4.340 -0.005 0.000 0.226 21 R C 0.861 177.054 176.300 -0.177 0.000 1.100 21 R CA 1.395 57.430 56.100 -0.109 0.000 0.980 21 R CB 0.390 30.627 30.300 -0.105 0.000 0.875 21 R HN 0.197 nan 8.270 nan 0.000 0.445 22 D N -1.329 118.894 120.400 -0.295 0.000 2.431 22 D HA 0.065 4.702 4.640 -0.005 0.000 0.227 22 D C -0.504 175.330 176.300 -0.776 0.000 1.030 22 D CA 0.568 54.205 54.000 -0.605 0.000 0.897 22 D CB 0.555 40.818 40.800 -0.896 0.000 1.058 22 D HN 0.010 nan 8.370 nan 0.000 0.500 23 F N 1.825 121.769 119.950 -0.009 0.000 2.518 23 F HA 0.274 4.797 4.527 -0.006 0.000 0.323 23 F C 0.057 175.943 175.800 0.143 0.000 1.129 23 F CA -1.237 56.801 58.000 0.064 0.000 0.920 23 F CB 1.460 40.504 39.000 0.072 0.000 1.160 23 F HN -0.393 nan 8.300 nan 0.000 0.440 24 D N 1.990 122.568 120.400 0.297 0.000 2.350 24 D HA 0.547 5.184 4.640 -0.005 0.000 0.249 24 D C 0.519 176.993 176.300 0.291 0.000 1.119 24 D CA 0.445 54.587 54.000 0.237 0.000 0.886 24 D CB 1.660 42.535 40.800 0.126 0.000 1.195 24 D HN 0.836 nan 8.370 nan 0.000 0.437 25 G N 0.755 109.718 108.800 0.272 0.000 2.335 25 G HA2 0.439 4.396 3.960 -0.005 0.000 0.291 25 G HA3 0.439 4.396 3.960 -0.005 0.000 0.291 25 G C -1.577 173.332 174.900 0.016 0.000 1.261 25 G CA -0.841 44.258 45.100 -0.002 0.000 0.871 25 G HN 0.508 nan 8.290 nan 0.000 0.491 26 K N -1.476 118.757 120.400 -0.279 0.000 2.480 26 K HA 0.798 5.115 4.320 -0.005 0.000 0.258 26 K C -0.480 176.074 176.600 -0.076 0.000 0.990 26 K CA -0.773 55.468 56.287 -0.075 0.000 0.857 26 K CB 2.433 34.887 32.500 -0.076 0.000 1.384 26 K HN 1.211 nan 8.250 nan 0.000 0.446 27 G N 0.601 109.446 108.800 0.075 0.000 2.683 27 G HA2 0.314 4.271 3.960 -0.005 0.000 0.299 27 G HA3 0.314 4.271 3.960 -0.005 0.000 0.299 27 G C -1.595 173.394 174.900 0.149 0.000 1.432 27 G CA -0.437 44.736 45.100 0.121 0.000 0.978 27 G HN 0.600 nan 8.290 nan 0.000 0.513 28 E N 1.921 122.225 120.200 0.172 0.000 2.166 28 E HA 0.595 4.942 4.350 -0.005 0.000 0.275 28 E C 0.316 177.077 176.600 0.268 0.000 0.941 28 E CA -0.734 55.792 56.400 0.210 0.000 0.784 28 E CB 1.620 31.435 29.700 0.192 0.000 1.115 28 E HN 0.606 nan 8.360 nan 0.000 0.399 29 A N 4.609 127.561 122.820 0.220 0.000 2.407 29 A HA 0.383 4.700 4.320 -0.005 0.000 0.248 29 A C -0.346 177.233 177.584 -0.008 0.000 1.082 29 A CA -0.086 51.950 52.037 -0.002 0.000 0.785 29 A CB 0.327 19.260 19.000 -0.110 0.000 1.020 29 A HN 0.682 nan 8.150 nan 0.000 0.489 30 L N 0.833 121.992 121.223 -0.106 0.000 2.293 30 L HA 0.398 4.735 4.340 -0.005 0.000 0.264 30 L C 1.930 178.756 176.870 -0.073 0.000 1.029 30 L CA -0.150 54.665 54.840 -0.041 0.000 0.897 30 L CB 1.077 43.100 42.059 -0.061 0.000 1.497 30 L HN 0.851 nan 8.230 nan 0.000 0.495 31 S N -0.110 115.577 115.700 -0.022 0.000 2.351 31 S HA -0.078 4.389 4.470 -0.005 0.000 0.220 31 S C 0.852 175.389 174.600 -0.105 0.000 1.035 31 S CA 1.485 59.665 58.200 -0.034 0.000 1.031 31 S CB -0.116 63.094 63.200 0.017 0.000 0.928 31 S HN 0.648 nan 8.310 nan 0.000 0.433 32 N N 1.075 119.697 118.700 -0.130 0.000 2.642 32 N HA 0.434 5.171 4.740 -0.005 0.000 0.308 32 N C -0.167 175.130 175.510 -0.356 0.000 1.914 32 N CA 0.400 53.297 53.050 -0.255 0.000 0.893 32 N CB 1.022 39.363 38.487 -0.243 0.000 1.322 32 N HN 0.537 nan 8.380 nan 0.000 0.490 33 G N -0.106 108.496 108.800 -0.329 0.000 2.333 33 G HA2 0.224 4.181 3.960 -0.005 0.000 0.288 33 G HA3 0.224 4.181 3.960 -0.005 0.000 0.288 33 G C -2.352 172.348 174.900 -0.333 0.000 1.286 33 G CA -0.518 44.385 45.100 -0.327 0.000 0.865 33 G HN 0.041 nan 8.290 nan 0.000 0.506 34 Y N -0.816 119.398 120.300 -0.145 0.000 2.598 34 Y HA 0.815 5.362 4.550 -0.005 0.000 0.340 34 Y C -0.158 175.716 175.900 -0.043 0.000 1.038 34 Y CA -1.098 56.959 58.100 -0.072 0.000 1.100 34 Y CB 2.352 40.782 38.460 -0.050 0.000 1.281 34 Y HN 0.530 nan 8.280 nan 0.000 0.488 35 L N 3.870 125.246 121.223 0.254 0.000 2.439 35 L HA 0.477 4.814 4.340 -0.005 0.000 0.270 35 L C -2.076 174.920 176.870 0.210 0.000 0.972 35 L CA -0.480 54.465 54.840 0.175 0.000 0.836 35 L CB 1.140 43.239 42.059 0.067 0.000 1.255 35 L HN 0.639 nan 8.230 nan 0.000 0.404 36 F N 6.331 126.344 119.950 0.105 0.000 2.470 36 F HA 0.778 5.302 4.527 -0.004 0.000 0.329 36 F C -0.830 175.012 175.800 0.070 0.000 1.072 36 F CA -0.686 57.352 58.000 0.062 0.000 0.989 36 F CB 1.657 40.702 39.000 0.076 0.000 1.193 36 F HN 0.467 nan 8.300 nan 0.000 0.481 37 I N 3.577 123.466 120.570 -1.135 0.000 2.680 37 I HA 0.257 4.424 4.170 -0.005 0.000 0.291 37 I C -0.998 174.551 176.117 -0.947 0.000 1.244 37 I CA -0.288 60.579 61.300 -0.721 0.000 1.042 37 I CB 1.937 39.633 38.000 -0.505 0.000 1.277 37 I HN 0.712 nan 8.210 nan 0.000 0.423 38 E N 4.083 123.994 120.200 -0.483 0.000 2.425 38 E HA 0.008 4.355 4.350 -0.005 0.000 0.258 38 E C 0.150 176.624 176.600 -0.210 0.000 1.151 38 E CA -0.078 56.173 56.400 -0.248 0.000 0.958 38 E CB 0.580 30.233 29.700 -0.079 0.000 0.968 38 E HN 0.551 nan 8.360 nan 0.000 0.451 39 Q N 1.005 120.743 119.800 -0.105 0.000 2.112 39 Q HA -0.182 4.155 4.340 -0.005 0.000 0.206 39 Q C 1.037 176.965 176.000 -0.120 0.000 0.987 39 Q CA 1.726 57.476 55.803 -0.088 0.000 0.858 39 Q CB -0.058 28.662 28.738 -0.031 0.000 0.905 39 Q HN 0.434 nan 8.270 nan 0.000 0.420 40 N N -0.341 118.281 118.700 -0.131 0.000 2.322 40 N HA 0.092 4.829 4.740 -0.005 0.000 0.194 40 N C -0.185 175.140 175.510 -0.309 0.000 1.126 40 N CA -0.036 52.899 53.050 -0.191 0.000 0.845 40 N CB 0.289 38.700 38.487 -0.126 0.000 0.976 40 N HN 0.135 nan 8.380 nan 0.000 0.475 41 G N 0.095 108.750 108.800 -0.242 0.000 2.442 41 G HA2 0.066 4.023 3.960 -0.005 0.000 0.249 41 G HA3 0.066 4.023 3.960 -0.005 0.000 0.249 41 G C -0.571 174.193 174.900 -0.227 0.000 1.263 41 G CA -0.130 44.851 45.100 -0.198 0.000 0.846 41 G HN 0.354 nan 8.290 nan 0.000 0.555 42 H N 0.655 119.775 119.070 0.082 0.000 2.457 42 H HA 0.458 5.011 4.556 -0.005 0.000 0.335 42 H C -0.906 174.549 175.328 0.212 0.000 1.115 42 H CA -0.040 56.088 56.048 0.134 0.000 1.219 42 H CB 1.888 31.704 29.762 0.089 0.000 1.471 42 H HN 0.661 nan 8.280 nan 0.000 0.491 43 Y N -0.083 120.267 120.300 0.083 0.000 2.521 43 Y HA 0.435 4.983 4.550 -0.004 0.000 0.328 43 Y C -1.779 174.115 175.900 -0.010 0.000 1.151 43 Y CA -0.977 57.131 58.100 0.013 0.000 1.054 43 Y CB 1.073 39.529 38.460 -0.006 0.000 1.338 43 Y HN 0.512 nan 8.280 nan 0.000 0.453 44 Q N 3.371 123.032 119.800 -0.231 0.000 2.421 44 Q HA 0.601 4.938 4.340 -0.005 0.000 0.280 44 Q C -1.452 174.333 176.000 -0.358 0.000 1.085 44 Q CA -1.361 54.228 55.803 -0.355 0.000 0.807 44 Q CB 3.527 32.142 28.738 -0.206 0.000 1.405 44 Q HN 0.775 nan 8.270 nan 0.000 0.419 45 K N -0.619 119.527 120.400 -0.422 0.000 2.395 45 K HA 0.864 5.181 4.320 -0.005 0.000 0.245 45 K C -1.297 175.089 176.600 -0.357 0.000 1.017 45 K CA -0.817 55.154 56.287 -0.526 0.000 0.852 45 K CB 2.112 34.175 32.500 -0.727 0.000 1.311 45 K HN 0.618 nan 8.250 nan 0.000 0.452 46 C N 1.133 120.221 119.300 -0.354 0.000 2.931 46 C HA 0.328 4.785 4.460 -0.005 0.000 0.370 46 C C -1.416 173.459 174.990 -0.192 0.000 1.071 46 C CA -0.498 58.394 59.018 -0.211 0.000 1.266 46 C CB 1.406 29.069 27.740 -0.130 0.000 1.691 46 C HN 0.881 nan 8.230 nan 0.000 0.511 47 E N 5.139 125.260 120.200 -0.132 0.000 2.223 47 E HA 0.354 4.701 4.350 -0.005 0.000 0.282 47 E C -0.153 176.412 176.600 -0.059 0.000 1.046 47 E CA 0.286 56.629 56.400 -0.096 0.000 0.857 47 E CB 1.087 30.745 29.700 -0.069 0.000 1.055 47 E HN 0.713 nan 8.360 nan 0.000 0.409 48 M N 1.291 120.861 119.600 -0.051 0.000 2.706 48 M HA 0.192 4.669 4.480 -0.005 0.000 0.304 48 M C 1.561 177.859 176.300 -0.004 0.000 1.217 48 M CA -0.575 54.712 55.300 -0.021 0.000 0.922 48 M CB 1.408 33.990 32.600 -0.031 0.000 1.637 48 M HN 0.441 nan 8.290 nan 0.000 0.492 49 E N 0.517 120.725 120.200 0.014 0.000 2.051 49 E HA -0.186 4.161 4.350 -0.005 0.000 0.192 49 E C 1.507 178.122 176.600 0.025 0.000 0.991 49 E CA 1.573 57.986 56.400 0.021 0.000 0.799 49 E CB 0.288 30.007 29.700 0.033 0.000 0.748 49 E HN 0.338 nan 8.360 nan 0.000 0.449 50 R N -0.580 119.939 120.500 0.031 0.000 2.313 50 R HA 0.172 4.509 4.340 -0.005 0.000 0.199 50 R C 0.106 176.426 176.300 0.033 0.000 0.958 50 R CA 0.772 56.896 56.100 0.039 0.000 1.047 50 R CB 0.655 30.990 30.300 0.058 0.000 0.955 50 R HN 0.295 nan 8.270 nan 0.000 0.481 51 G N -2.424 106.386 108.800 0.017 0.000 2.368 51 G HA2 -0.018 3.939 3.960 -0.005 0.000 0.269 51 G HA3 -0.018 3.939 3.960 -0.005 0.000 0.269 51 G C -1.381 173.517 174.900 -0.004 0.000 1.291 51 G CA -0.599 44.516 45.100 0.024 0.000 0.903 51 G HN -0.046 nan 8.290 nan 0.000 0.483 52 T N 1.181 115.746 114.554 0.019 0.000 2.758 52 T HA 0.709 5.056 4.350 -0.005 0.000 0.285 52 T C 0.348 174.977 174.700 -0.119 0.000 0.981 52 T CA 0.566 62.631 62.100 -0.059 0.000 0.965 52 T CB 1.278 70.145 68.868 -0.001 0.000 0.927 52 T HN 1.371 nan 8.240 nan 0.000 0.448 53 A N 3.578 126.211 122.820 -0.312 0.000 2.310 53 A HA 0.727 5.044 4.320 -0.005 0.000 0.299 53 A C -1.171 175.961 177.584 -0.753 0.000 1.147 53 A CA -0.510 51.218 52.037 -0.515 0.000 0.818 53 A CB 0.296 19.029 19.000 -0.445 0.000 1.096 53 A HN 0.856 nan 8.150 nan 0.000 0.495 54 Y N 1.404 121.107 120.300 -0.995 0.000 2.391 54 Y HA 0.475 5.022 4.550 -0.004 0.000 0.341 54 Y C -0.204 175.218 175.900 -0.796 0.000 0.965 54 Y CA -0.765 56.794 58.100 -0.901 0.000 1.067 54 Y CB 2.159 39.806 38.460 -1.355 0.000 1.199 54 Y HN 0.512 nan 8.280 nan 0.000 0.450 55 L N 6.390 127.467 121.223 -0.243 0.000 2.353 55 L HA 0.543 4.880 4.340 -0.005 0.000 0.270 55 L C -1.269 175.616 176.870 0.024 0.000 1.003 55 L CA -0.346 54.471 54.840 -0.038 0.000 0.862 55 L CB 0.232 42.313 42.059 0.037 0.000 1.221 55 L HN 0.678 nan 8.230 nan 0.000 0.430 56 I N 4.567 125.133 120.570 -0.007 0.000 2.359 56 I HA 0.675 4.842 4.170 -0.005 0.000 0.294 56 I C 0.899 177.045 176.117 0.048 0.000 0.987 56 I CA -0.028 61.230 61.300 -0.070 0.000 1.225 56 I CB 1.514 39.174 38.000 -0.567 0.000 1.366 56 I HN 0.763 nan 8.210 nan 0.000 0.466 57 G N 4.406 113.286 108.800 0.134 0.000 2.358 57 G HA2 -0.062 3.895 3.960 -0.005 0.000 0.198 57 G HA3 -0.062 3.895 3.960 -0.005 0.000 0.198 57 G C -0.825 174.186 174.900 0.185 0.000 1.220 57 G CA -0.110 45.112 45.100 0.203 0.000 1.187 57 G HN 0.733 nan 8.290 nan 0.000 0.544 58 S N -1.181 114.613 115.700 0.156 0.000 2.556 58 S HA 0.736 5.203 4.470 -0.005 0.000 0.271 58 S C -1.028 173.560 174.600 -0.021 0.000 1.135 58 S CA -0.567 57.671 58.200 0.062 0.000 0.858 58 S CB 1.263 64.526 63.200 0.105 0.000 1.114 58 S HN 0.913 nan 8.310 nan 0.000 0.468 59 L N 3.808 125.003 121.223 -0.046 0.000 2.317 59 L HA 0.511 4.848 4.340 -0.005 0.000 0.281 59 L C -0.336 176.577 176.870 0.072 0.000 1.024 59 L CA -0.688 54.087 54.840 -0.108 0.000 0.810 59 L CB 1.272 43.251 42.059 -0.134 0.000 1.240 59 L HN 0.793 nan 8.230 nan 0.000 0.427 60 Y N 0.351 120.645 120.300 -0.010 0.000 2.507 60 Y HA 0.056 4.603 4.550 -0.005 0.000 0.263 60 Y C 1.286 177.170 175.900 -0.026 0.000 1.093 60 Y CA -0.584 57.494 58.100 -0.037 0.000 1.285 60 Y CB -0.060 38.349 38.460 -0.084 0.000 1.115 60 Y HN 0.637 nan 8.280 nan 0.000 0.533 61 N N 0.015 118.791 118.700 0.127 0.000 2.541 61 N HA 0.131 4.868 4.740 -0.005 0.000 0.297 61 N C 0.849 176.429 175.510 0.116 0.000 1.503 61 N CA -0.216 52.894 53.050 0.101 0.000 0.919 61 N CB -0.167 38.344 38.487 0.041 0.000 1.305 61 N HN 0.087 nan 8.380 nan 0.000 0.501 62 R N 0.193 120.732 120.500 0.065 0.000 2.096 62 R HA -0.165 4.172 4.340 -0.005 0.000 0.240 62 R C 1.686 178.008 176.300 0.037 0.000 1.139 62 R CA 2.611 58.726 56.100 0.026 0.000 0.952 62 R CB -0.587 29.712 30.300 -0.001 0.000 0.854 62 R HN 0.552 nan 8.270 nan 0.000 0.436 63 T N -0.895 113.695 114.554 0.059 0.000 2.699 63 T HA -0.241 4.106 4.350 -0.005 0.000 0.268 63 T C 1.683 176.425 174.700 0.069 0.000 1.036 63 T CA 1.538 63.672 62.100 0.056 0.000 1.147 63 T CB -0.558 68.348 68.868 0.063 0.000 0.862 63 T HN 0.293 nan 8.240 nan 0.000 0.446 64 F N 2.024 121.964 119.950 -0.017 0.000 2.146 64 F HA 0.193 4.717 4.527 -0.005 0.000 0.298 64 F C 1.991 177.765 175.800 -0.044 0.000 1.096 64 F CA 0.810 58.802 58.000 -0.015 0.000 1.275 64 F CB -0.358 38.645 39.000 0.005 0.000 1.008 64 F HN 0.056 nan 8.300 nan 0.000 0.480 65 L N 0.076 121.350 121.223 0.085 0.000 2.093 65 L HA -0.204 4.133 4.340 -0.005 0.000 0.208 65 L C 2.438 179.170 176.870 -0.231 0.000 1.085 65 L CA 1.208 56.011 54.840 -0.062 0.000 0.755 65 L CB -0.648 41.420 42.059 0.015 0.000 0.904 65 L HN 0.201 nan 8.230 nan 0.000 0.435 66 I N -0.213 120.236 120.570 -0.201 0.000 2.394 66 I HA -0.164 4.003 4.170 -0.005 0.000 0.251 66 I C 2.517 178.407 176.117 -0.379 0.000 1.136 66 I CA 1.250 62.373 61.300 -0.295 0.000 1.425 66 I CB -0.657 37.234 38.000 -0.182 0.000 1.079 66 I HN 0.267 nan 8.210 nan 0.000 0.425 67 G N 0.763 109.387 108.800 -0.294 0.000 2.471 67 G HA2 -0.195 3.762 3.960 -0.005 0.000 0.219 67 G HA3 -0.195 3.762 3.960 -0.005 0.000 0.219 67 G C 1.572 176.246 174.900 -0.375 0.000 1.125 67 G CA 0.292 45.225 45.100 -0.278 0.000 0.775 67 G HN 0.233 nan 8.290 nan 0.000 0.548 68 L N 1.046 121.986 121.223 -0.471 0.000 2.084 68 L HA 0.400 4.738 4.340 -0.005 0.000 0.202 68 L C 2.932 179.451 176.870 -0.585 0.000 1.074 68 L CA 2.015 56.603 54.840 -0.420 0.000 0.757 68 L CB -0.826 41.006 42.059 -0.378 0.000 0.918 68 L HN 0.148 nan 8.230 nan 0.000 0.444 69 A N -0.399 121.955 122.820 -0.777 0.000 1.969 69 A HA -0.010 4.307 4.320 -0.005 0.000 0.218 69 A C 2.254 179.005 177.584 -1.388 0.000 1.169 69 A CA 1.250 52.417 52.037 -1.450 0.000 0.635 69 A CB -1.566 16.921 19.000 -0.856 0.000 0.810 69 A HN 0.537 nan 8.150 nan 0.000 0.445 70 G N -0.574 107.692 108.800 -0.890 0.000 2.501 70 G HA2 -0.077 3.880 3.960 -0.005 0.000 0.220 70 G HA3 -0.077 3.880 3.960 -0.005 0.000 0.220 70 G C 1.329 175.959 174.900 -0.451 0.000 1.114 70 G CA 1.052 45.706 45.100 -0.743 0.000 0.757 70 G HN 0.319 nan 8.290 nan 0.000 0.559 71 V N -0.507 119.152 119.914 -0.425 0.000 2.594 71 V HA -0.104 4.013 4.120 -0.005 0.000 0.253 71 V C 2.028 178.127 176.094 0.009 0.000 1.069 71 V CA 2.031 64.251 62.300 -0.134 0.000 1.082 71 V CB -0.478 31.344 31.823 -0.001 0.000 0.680 71 V HN 0.919 nan 8.190 nan 0.000 0.469 72 W N -0.583 120.673 121.300 -0.074 0.000 2.413 72 W HA 0.527 5.184 4.660 -0.005 0.000 0.288 72 W C 0.252 176.739 176.519 -0.054 0.000 0.958 72 W CA -0.030 57.282 57.345 -0.054 0.000 1.333 72 W CB 0.409 29.837 29.460 -0.053 0.000 1.002 72 W HN 0.072 nan 8.180 nan 0.000 0.562 73 E N 0.816 120.731 120.200 -0.475 0.000 2.316 73 E HA 0.415 4.762 4.350 -0.005 0.000 0.254 73 E C 1.061 177.478 176.600 -0.305 0.000 0.902 73 E CA -0.121 56.122 56.400 -0.261 0.000 0.801 73 E CB 1.175 30.748 29.700 -0.211 0.000 1.270 73 E HN 0.142 nan 8.360 nan 0.000 0.414 74 G N 3.217 111.949 108.800 -0.114 0.000 2.470 74 G HA2 -0.240 3.717 3.960 -0.005 0.000 0.220 74 G HA3 -0.240 3.717 3.960 -0.005 0.000 0.220 74 G C 1.010 175.901 174.900 -0.014 0.000 1.121 74 G CA 0.421 45.521 45.100 0.001 0.000 0.766 74 G HN 0.595 nan 8.290 nan 0.000 0.553 75 E N 0.083 120.241 120.200 -0.071 0.000 2.472 75 E HA 0.106 4.453 4.350 -0.005 0.000 0.200 75 E C 2.566 179.088 176.600 -0.130 0.000 1.046 75 E CA 0.345 56.712 56.400 -0.056 0.000 0.871 75 E CB -0.035 29.642 29.700 -0.038 0.000 0.806 75 E HN 0.440 nan 8.360 nan 0.000 0.533 76 A N -0.198 122.441 122.820 -0.302 0.000 2.066 76 A HA -0.139 4.178 4.320 -0.005 0.000 0.218 76 A C 1.229 178.604 177.584 -0.349 0.000 1.157 76 A CA 0.703 52.506 52.037 -0.391 0.000 0.670 76 A CB -0.382 18.251 19.000 -0.611 0.000 0.804 76 A HN 0.294 nan 8.150 nan 0.000 0.453 77 Y N -0.648 119.577 120.300 -0.125 0.000 2.509 77 Y HA 0.107 4.655 4.550 -0.005 0.000 0.293 77 Y C 1.493 177.343 175.900 -0.083 0.000 1.133 77 Y CA 0.871 58.909 58.100 -0.103 0.000 1.283 77 Y CB -0.103 38.301 38.460 -0.093 0.000 1.001 77 Y HN 0.213 nan 8.280 nan 0.000 0.555 78 L N -1.530 119.717 121.223 0.039 0.000 3.086 78 L HA 0.434 4.771 4.340 -0.005 0.000 0.274 78 L C 0.849 177.699 176.870 -0.034 0.000 1.184 78 L CA -0.408 54.434 54.840 0.004 0.000 1.002 78 L CB 0.101 42.165 42.059 0.008 0.000 1.383 78 L HN -0.066 nan 8.230 nan 0.000 0.582 79 A N 1.389 124.174 122.820 -0.058 0.000 2.445 79 A HA 0.311 4.628 4.320 -0.005 0.000 0.242 79 A C 0.314 177.856 177.584 -0.070 0.000 1.075 79 A CA -0.243 51.753 52.037 -0.069 0.000 0.777 79 A CB 0.027 18.975 19.000 -0.086 0.000 1.013 79 A HN 0.481 nan 8.150 nan 0.000 0.493 80 N N 1.130 119.786 118.700 -0.073 0.000 2.327 80 N HA 0.099 4.837 4.740 -0.005 0.000 0.257 80 N C 0.080 175.544 175.510 -0.077 0.000 1.281 80 N CA -0.061 52.941 53.050 -0.079 0.000 0.942 80 N CB 0.241 38.671 38.487 -0.096 0.000 1.199 80 N HN 0.495 nan 8.380 nan 0.000 0.532 81 D N -0.588 119.765 120.400 -0.078 0.000 2.133 81 D HA -0.191 4.446 4.640 -0.005 0.000 0.195 81 D C 1.729 178.004 176.300 -0.042 0.000 0.997 81 D CA 2.089 56.043 54.000 -0.077 0.000 0.840 81 D CB -0.767 39.986 40.800 -0.077 0.000 0.947 81 D HN 0.685 nan 8.370 nan 0.000 0.452 82 A N 1.084 123.884 122.820 -0.033 0.000 1.845 82 A HA -0.217 4.100 4.320 -0.005 0.000 0.215 82 A C 2.140 179.760 177.584 0.061 0.000 1.195 82 A CA 1.704 53.760 52.037 0.031 0.000 0.616 82 A CB -0.712 18.220 19.000 -0.115 0.000 0.832 82 A HN 0.190 nan 8.150 nan 0.000 0.443 83 E N -0.770 119.418 120.200 -0.020 0.000 2.097 83 E HA -0.228 4.119 4.350 -0.005 0.000 0.196 83 E C 1.930 178.523 176.600 -0.012 0.000 1.000 83 E CA 1.334 57.724 56.400 -0.017 0.000 0.804 83 E CB -0.289 29.382 29.700 -0.048 0.000 0.740 83 E HN 0.479 nan 8.360 nan 0.000 0.454 84 L N 0.836 122.032 121.223 -0.044 0.000 2.017 84 L HA -0.179 4.158 4.340 -0.005 0.000 0.208 84 L C 1.999 178.829 176.870 -0.066 0.000 1.073 84 L CA 1.631 56.426 54.840 -0.075 0.000 0.745 84 L CB -0.308 41.688 42.059 -0.105 0.000 0.894 84 L HN 0.150 nan 8.230 nan 0.000 0.432 85 L N -0.908 120.263 121.223 -0.086 0.000 2.093 85 L HA -0.139 4.199 4.340 -0.005 0.000 0.208 85 L C 2.637 179.419 176.870 -0.147 0.000 1.085 85 L CA 1.025 55.737 54.840 -0.214 0.000 0.755 85 L CB -0.999 40.776 42.059 -0.472 0.000 0.904 85 L HN 0.382 nan 8.230 nan 0.000 0.435 86 A N 0.271 123.102 122.820 0.020 0.000 1.933 86 A HA -0.174 4.143 4.320 -0.005 0.000 0.218 86 A C 2.280 179.947 177.584 0.138 0.000 1.175 86 A CA 1.306 53.410 52.037 0.113 0.000 0.628 86 A CB -0.593 18.482 19.000 0.126 0.000 0.814 86 A HN 0.345 nan 8.150 nan 0.000 0.444 87 L N -0.739 120.551 121.223 0.112 0.000 2.046 87 L HA -0.188 4.149 4.340 -0.005 0.000 0.208 87 L C 2.503 179.558 176.870 0.309 0.000 1.077 87 L CA 1.240 56.198 54.840 0.197 0.000 0.747 87 L CB -0.413 41.717 42.059 0.118 0.000 0.896 87 L HN 0.413 nan 8.230 nan 0.000 0.432 88 L N -2.035 119.317 121.223 0.215 0.000 2.131 88 L HA -0.188 4.149 4.340 -0.005 0.000 0.206 88 L C 2.436 179.368 176.870 0.104 0.000 1.087 88 L CA 0.903 55.868 54.840 0.208 0.000 0.767 88 L CB -0.524 41.595 42.059 0.100 0.000 0.917 88 L HN 0.135 nan 8.230 nan 0.000 0.441 89 F N 1.615 121.530 119.950 -0.058 0.000 2.075 89 F HA -0.260 4.263 4.527 -0.005 0.000 0.297 89 F C 2.723 178.502 175.800 -0.035 0.000 1.113 89 F CA 2.075 60.031 58.000 -0.074 0.000 1.218 89 F CB -0.138 38.801 39.000 -0.101 0.000 0.984 89 F HN 0.107 nan 8.300 nan 0.000 0.472 90 T N -2.271 112.461 114.554 0.296 0.000 3.118 90 T HA -0.023 4.324 4.350 -0.005 0.000 0.260 90 T C 1.704 176.386 174.700 -0.031 0.000 1.139 90 T CA 0.848 63.046 62.100 0.162 0.000 1.085 90 T CB -0.080 68.889 68.868 0.168 0.000 0.934 90 T HN 0.202 nan 8.240 nan 0.000 0.518 91 R N 0.536 120.969 120.500 -0.111 0.000 2.191 91 R HA 0.455 4.792 4.340 -0.005 0.000 0.196 91 R C 1.483 177.571 176.300 -0.354 0.000 0.991 91 R CA 0.625 56.511 56.100 -0.356 0.000 1.075 91 R CB -0.294 29.543 30.300 -0.772 0.000 1.040 91 R HN 0.446 nan 8.270 nan 0.000 0.526 92 L N 0.106 121.183 121.223 -0.243 0.000 3.016 92 L HA 0.478 4.815 4.340 -0.005 0.000 0.267 92 L C 0.308 177.056 176.870 -0.204 0.000 1.182 92 L CA -0.116 54.604 54.840 -0.201 0.000 0.997 92 L CB 0.869 42.854 42.059 -0.123 0.000 1.354 92 L HN 0.429 nan 8.230 nan 0.000 0.569 93 G N 0.323 108.956 108.800 -0.278 0.000 2.828 93 G HA2 -0.202 3.756 3.960 -0.005 0.000 0.463 93 G HA3 -0.202 3.756 3.960 -0.005 0.000 0.463 93 G C 0.711 175.280 174.900 -0.551 0.000 1.394 93 G CA -0.169 44.670 45.100 -0.435 0.000 0.862 93 G HN 0.146 nan 8.290 nan 0.000 0.540 94 A N -0.337 122.069 122.820 -0.691 0.000 1.940 94 A HA -0.098 4.219 4.320 -0.005 0.000 0.219 94 A C 2.244 179.710 177.584 -0.196 0.000 1.176 94 A CA 2.503 54.255 52.037 -0.475 0.000 0.631 94 A CB -0.572 18.250 19.000 -0.296 0.000 0.814 94 A HN 0.941 nan 8.150 nan 0.000 0.446 95 N N 0.573 119.169 118.700 -0.173 0.000 2.258 95 N HA -0.147 4.590 4.740 -0.005 0.000 0.187 95 N C 1.664 177.129 175.510 -0.074 0.000 1.012 95 N CA 1.488 54.475 53.050 -0.105 0.000 0.870 95 N CB -0.496 37.931 38.487 -0.100 0.000 0.977 95 N HN 0.519 nan 8.380 nan 0.000 0.434 96 A N 0.022 122.790 122.820 -0.086 0.000 1.972 96 A HA -0.040 4.277 4.320 -0.005 0.000 0.219 96 A C 1.770 179.353 177.584 -0.000 0.000 1.169 96 A CA 0.829 52.848 52.037 -0.031 0.000 0.635 96 A CB -0.432 18.551 19.000 -0.028 0.000 0.810 96 A HN 0.163 nan 8.150 nan 0.000 0.446 97 L N -0.636 120.578 121.223 -0.014 0.000 2.633 97 L HA 0.010 4.347 4.340 -0.005 0.000 0.235 97 L C 2.452 179.391 176.870 0.115 0.000 1.163 97 L CA 1.186 56.044 54.840 0.030 0.000 0.859 97 L CB -0.596 41.481 42.059 0.030 0.000 0.973 97 L HN 0.395 nan 8.230 nan 0.000 0.451 98 A N -1.423 121.428 122.820 0.051 0.000 2.178 98 A HA 0.116 4.433 4.320 -0.005 0.000 0.211 98 A C 2.006 179.575 177.584 -0.025 0.000 1.157 98 A CA 0.336 52.380 52.037 0.011 0.000 0.780 98 A CB -0.313 18.644 19.000 -0.070 0.000 0.828 98 A HN 0.365 nan 8.150 nan 0.000 0.476 99 L N -0.611 120.647 121.223 0.058 0.000 2.492 99 L HA 0.143 4.480 4.340 -0.005 0.000 0.223 99 L C 1.273 178.284 176.870 0.235 0.000 1.132 99 L CA 0.137 55.054 54.840 0.127 0.000 0.850 99 L CB -0.306 41.876 42.059 0.205 0.000 0.966 99 L HN 0.394 nan 8.230 nan 0.000 0.454 100 A N 0.678 123.636 122.820 0.229 0.000 2.310 100 A HA 0.508 4.825 4.320 -0.005 0.000 0.299 100 A C -0.284 177.527 177.584 0.377 0.000 1.147 100 A CA -0.395 51.758 52.037 0.192 0.000 0.818 100 A CB 0.440 19.413 19.000 -0.045 0.000 1.096 100 A HN 0.254 nan 8.150 nan 0.000 0.495 101 E N 0.555 120.866 120.200 0.185 0.000 2.212 101 E HA 0.690 5.037 4.350 -0.005 0.000 0.268 101 E C -0.010 176.595 176.600 0.008 0.000 0.902 101 E CA -0.643 55.849 56.400 0.154 0.000 0.779 101 E CB 2.109 31.756 29.700 -0.088 0.000 1.172 101 E HN 1.142 nan 8.360 nan 0.000 0.409 102 G N 1.687 110.439 108.800 -0.079 0.000 2.336 102 G HA2 0.062 4.019 3.960 -0.005 0.000 0.300 102 G HA3 0.062 4.019 3.960 -0.005 0.000 0.300 102 G C -1.655 173.107 174.900 -0.230 0.000 1.375 102 G CA -0.810 43.799 45.100 -0.818 0.000 0.885 102 G HN 0.635 nan 8.290 nan 0.000 0.599 103 D N -0.303 119.925 120.400 -0.288 0.000 3.110 103 D HA 0.422 5.059 4.640 -0.005 0.000 0.254 103 D C 0.167 176.556 176.300 0.148 0.000 1.283 103 D CA -0.436 53.602 54.000 0.064 0.000 0.944 103 D CB -0.520 40.375 40.800 0.160 0.000 1.066 103 D HN 0.455 nan 8.370 nan 0.000 0.496 104 F N -0.942 119.051 119.950 0.071 0.000 2.613 104 F HA 0.741 5.265 4.527 -0.004 0.000 0.342 104 F C -0.974 174.933 175.800 0.179 0.000 1.066 104 F CA -1.718 56.340 58.000 0.098 0.000 1.002 104 F CB 1.569 40.603 39.000 0.055 0.000 1.319 104 F HN 0.054 nan 8.300 nan 0.000 0.495 105 C N 2.937 122.446 119.300 0.348 0.000 2.716 105 C HA 0.649 5.106 4.460 -0.005 0.000 0.366 105 C C -1.646 173.644 174.990 0.499 0.000 1.073 105 C CA -0.870 58.357 59.018 0.348 0.000 1.260 105 C CB -0.113 27.838 27.740 0.351 0.000 1.755 105 C HN 0.851 nan 8.230 nan 0.000 0.475 106 F N 7.619 127.830 119.950 0.435 0.000 2.458 106 F HA 0.877 5.401 4.527 -0.005 0.000 0.336 106 F C -0.750 175.243 175.800 0.323 0.000 1.114 106 F CA -0.525 57.641 58.000 0.277 0.000 0.987 106 F CB 1.051 40.215 39.000 0.274 0.000 1.130 106 F HN 0.664 nan 8.300 nan 0.000 0.458 107 F N 5.107 124.862 119.950 -0.324 0.000 2.654 107 F HA 0.735 5.260 4.527 -0.004 0.000 0.308 107 F C -2.146 173.469 175.800 -0.307 0.000 1.108 107 F CA -1.801 56.115 58.000 -0.141 0.000 0.957 107 F CB 0.946 39.970 39.000 0.040 0.000 1.309 107 F HN 0.256 nan 8.300 nan 0.000 0.446 108 I N 2.214 122.876 120.570 0.153 0.000 2.389 108 I HA 0.252 4.419 4.170 -0.005 0.000 0.288 108 I C -1.050 175.219 176.117 0.253 0.000 0.999 108 I CA -0.607 60.735 61.300 0.069 0.000 1.129 108 I CB 1.610 39.588 38.000 -0.037 0.000 1.288 108 I HN 0.587 nan 8.210 nan 0.000 0.444 109 D N 7.428 128.004 120.400 0.293 0.000 2.422 109 D HA 0.080 4.717 4.640 -0.005 0.000 0.227 109 D C -0.156 176.235 176.300 0.151 0.000 1.190 109 D CA -0.151 54.000 54.000 0.252 0.000 0.905 109 D CB 0.636 41.623 40.800 0.311 0.000 1.034 109 D HN 0.313 nan 8.370 nan 0.000 0.507 110 E N 4.196 124.470 120.200 0.123 0.000 2.316 110 E HA 0.082 4.429 4.350 -0.005 0.000 0.275 110 E C -1.648 175.000 176.600 0.081 0.000 1.029 110 E CA -1.605 54.850 56.400 0.093 0.000 0.871 110 E CB 0.900 30.656 29.700 0.093 0.000 1.022 110 E HN 0.345 nan 8.360 nan 0.000 0.418 111 P HA -0.221 nan 4.420 nan 0.000 0.218 111 P C 0.985 178.311 177.300 0.043 0.000 1.146 111 P CA 1.294 64.422 63.100 0.047 0.000 0.820 111 P CB 0.131 31.853 31.700 0.036 0.000 0.778 112 N N -1.336 117.397 118.700 0.056 0.000 2.515 112 N HA -0.030 4.707 4.740 -0.005 0.000 0.185 112 N C 1.375 176.933 175.510 0.080 0.000 1.109 112 N CA 1.449 54.534 53.050 0.058 0.000 0.903 112 N CB -0.720 37.806 38.487 0.065 0.000 0.969 112 N HN 0.246 nan 8.380 nan 0.000 0.450 113 G N 0.016 108.874 108.800 0.096 0.000 2.259 113 G HA2 -0.287 3.670 3.960 -0.005 0.000 0.217 113 G HA3 -0.287 3.670 3.960 -0.005 0.000 0.217 113 G C -0.201 174.819 174.900 0.200 0.000 1.001 113 G CA 0.111 45.303 45.100 0.153 0.000 0.627 113 G HN 0.568 nan 8.290 nan 0.000 0.501 114 E N 0.316 120.610 120.200 0.157 0.000 2.414 114 E HA 0.448 4.795 4.350 -0.005 0.000 0.263 114 E C -0.496 176.174 176.600 0.116 0.000 1.000 114 E CA -0.329 56.152 56.400 0.135 0.000 0.914 114 E CB 0.399 30.168 29.700 0.114 0.000 0.948 114 E HN 0.266 nan 8.360 nan 0.000 0.444 115 L N 4.318 125.594 121.223 0.089 0.000 2.319 115 L HA 0.315 4.652 4.340 -0.005 0.000 0.281 115 L C -0.864 176.073 176.870 0.111 0.000 1.005 115 L CA -0.132 54.758 54.840 0.085 0.000 0.828 115 L CB 1.901 43.959 42.059 -0.002 0.000 1.227 115 L HN 0.471 nan 8.230 nan 0.000 0.415 116 T N 4.316 118.970 114.554 0.167 0.000 2.733 116 T HA 0.509 4.856 4.350 -0.005 0.000 0.294 116 T C -0.614 174.258 174.700 0.286 0.000 0.956 116 T CA -0.199 62.026 62.100 0.207 0.000 0.987 116 T CB 1.123 70.118 68.868 0.212 0.000 0.920 116 T HN 0.394 nan 8.240 nan 0.000 0.470 117 V N 5.558 125.653 119.914 0.303 0.000 2.735 117 V HA 0.720 4.837 4.120 -0.005 0.000 0.310 117 V C -1.246 175.099 176.094 0.418 0.000 1.061 117 V CA -1.009 61.527 62.300 0.393 0.000 0.913 117 V CB 1.481 33.492 31.823 0.314 0.000 1.005 117 V HN 0.859 nan 8.190 nan 0.000 0.428 118 I N 5.569 126.430 120.570 0.485 0.000 2.466 118 I HA 0.463 4.630 4.170 -0.005 0.000 0.289 118 I C 0.040 176.388 176.117 0.386 0.000 1.026 118 I CA -0.472 61.073 61.300 0.408 0.000 1.078 118 I CB 2.505 40.767 38.000 0.436 0.000 1.249 118 I HN 0.800 nan 8.210 nan 0.000 0.429 119 T N 1.358 116.082 114.554 0.283 0.000 2.902 119 T HA 0.471 4.819 4.350 -0.005 0.000 0.283 119 T C -0.195 174.490 174.700 -0.026 0.000 1.009 119 T CA -0.970 61.215 62.100 0.142 0.000 1.051 119 T CB 1.422 70.401 68.868 0.185 0.000 0.999 119 T HN 0.575 nan 8.240 nan 0.000 0.474 120 E N 1.294 121.287 120.200 -0.345 0.000 2.418 120 E HA 0.250 4.597 4.350 -0.005 0.000 0.261 120 E C 0.403 176.939 176.600 -0.106 0.000 1.070 120 E CA -0.498 55.639 56.400 -0.438 0.000 0.931 120 E CB 0.226 29.463 29.700 -0.771 0.000 0.954 120 E HN 0.630 nan 8.360 nan 0.000 0.439 121 S N 1.804 117.498 115.700 -0.010 0.000 2.602 121 S HA 0.282 4.749 4.470 -0.005 0.000 0.246 121 S C 0.442 174.999 174.600 -0.072 0.000 1.009 121 S CA -0.750 57.426 58.200 -0.039 0.000 1.052 121 S CB -0.022 63.126 63.200 -0.088 0.000 0.778 121 S HN 0.468 nan 8.310 nan 0.000 0.455 122 R N -0.180 120.233 120.500 -0.145 0.000 2.612 122 R HA 0.329 4.667 4.340 -0.005 0.000 0.260 122 R C 1.308 177.422 176.300 -0.309 0.000 0.943 122 R CA 0.716 56.630 56.100 -0.310 0.000 1.036 122 R CB 0.184 30.046 30.300 -0.730 0.000 1.520 122 R HN 0.619 nan 8.270 nan 0.000 0.563 123 G N 0.741 109.423 108.800 -0.197 0.000 2.148 123 G HA2 -0.259 3.698 3.960 -0.005 0.000 0.203 123 G HA3 -0.259 3.698 3.960 -0.005 0.000 0.203 123 G C 0.773 175.701 174.900 0.046 0.000 0.993 123 G CA 0.107 45.169 45.100 -0.062 0.000 0.661 123 G HN 0.295 nan 8.290 nan 0.000 0.518 124 F N 0.850 120.855 119.950 0.092 0.000 2.216 124 F HA 0.205 4.729 4.527 -0.005 0.000 0.300 124 F C 1.871 177.718 175.800 0.078 0.000 1.085 124 F CA 1.422 59.496 58.000 0.124 0.000 1.326 124 F CB 0.336 39.395 39.000 0.098 0.000 1.027 124 F HN 0.307 nan 8.300 nan 0.000 0.497 125 S N 0.074 115.902 115.700 0.213 0.000 2.383 125 S HA 0.348 4.815 4.470 -0.005 0.000 0.196 125 S C -2.679 171.995 174.600 0.124 0.000 1.364 125 S CA -1.512 56.788 58.200 0.166 0.000 1.212 125 S CB 0.337 63.657 63.200 0.200 0.000 1.171 125 S HN -0.262 nan 8.310 nan 0.000 0.456 126 P HA 0.218 nan 4.420 nan 0.000 0.268 126 P C -1.137 176.238 177.300 0.125 0.000 1.204 126 P CA -0.258 62.898 63.100 0.093 0.000 0.768 126 P CB 0.850 32.633 31.700 0.137 0.000 0.842 127 V N 4.328 124.261 119.914 0.032 0.000 2.588 127 V HA 0.336 4.453 4.120 -0.005 0.000 0.304 127 V C -0.379 175.649 176.094 -0.110 0.000 1.042 127 V CA -0.472 61.852 62.300 0.040 0.000 0.877 127 V CB 1.477 33.340 31.823 0.067 0.000 0.996 127 V HN 0.585 nan 8.190 nan 0.000 0.425 128 H N 1.960 121.002 119.070 -0.047 0.000 2.621 128 H HA 0.745 5.298 4.556 -0.005 0.000 0.360 128 H C -0.737 174.546 175.328 -0.074 0.000 1.163 128 H CA -0.643 55.368 56.048 -0.061 0.000 1.194 128 H CB 2.176 31.908 29.762 -0.049 0.000 1.649 128 H HN 0.384 nan 8.280 nan 0.000 0.532 129 V N 3.393 123.331 119.914 0.039 0.000 2.349 129 V HA 0.242 4.359 4.120 -0.005 0.000 0.284 129 V C -0.460 175.642 176.094 0.013 0.000 1.014 129 V CA -0.751 61.552 62.300 0.005 0.000 0.826 129 V CB 1.110 32.898 31.823 -0.058 0.000 1.009 129 V HN 0.628 nan 8.190 nan 0.000 0.431 130 V N 3.155 123.087 119.914 0.031 0.000 2.539 130 V HA 0.725 4.842 4.120 -0.005 0.000 0.292 130 V C -0.272 175.830 176.094 0.012 0.000 1.045 130 V CA -0.603 61.679 62.300 -0.031 0.000 0.945 130 V CB 1.747 33.495 31.823 -0.124 0.000 0.993 130 V HN 0.782 nan 8.190 nan 0.000 0.464 131 Q N 3.754 123.510 119.800 -0.073 0.000 2.626 131 Q HA 0.633 4.970 4.340 -0.005 0.000 0.239 131 Q C 0.131 176.037 176.000 -0.157 0.000 1.101 131 Q CA 0.508 56.281 55.803 -0.050 0.000 0.918 131 Q CB 0.595 29.305 28.738 -0.046 0.000 1.151 131 Q HN 1.129 nan 8.270 nan 0.000 0.531 132 G N 1.428 110.190 108.800 -0.064 0.000 3.022 132 G HA2 0.132 4.089 3.960 -0.005 0.000 0.157 132 G HA3 0.132 4.089 3.960 -0.005 0.000 0.157 132 G C 0.309 175.208 174.900 -0.001 0.000 1.468 132 G CA -0.346 44.669 45.100 -0.143 0.000 1.058 132 G HN 0.509 nan 8.290 nan 0.000 0.581 133 K N -0.175 120.260 120.400 0.059 0.000 2.097 133 K HA 0.001 4.318 4.320 -0.005 0.000 0.206 133 K C 0.816 177.486 176.600 0.116 0.000 1.049 133 K CA 1.075 57.416 56.287 0.089 0.000 0.933 133 K CB -0.060 32.499 32.500 0.098 0.000 0.717 133 K HN 0.132 nan 8.250 nan 0.000 0.442 134 K N -0.514 120.007 120.400 0.202 0.000 2.346 134 K HA 0.487 4.804 4.320 -0.005 0.000 0.238 134 K C -1.180 175.500 176.600 0.133 0.000 1.039 134 K CA -0.816 55.529 56.287 0.097 0.000 0.861 134 K CB 1.998 34.457 32.500 -0.069 0.000 1.278 134 K HN -0.056 nan 8.250 nan 0.000 0.460 135 A N 1.010 123.837 122.820 0.012 0.000 2.301 135 A HA 0.526 4.843 4.320 -0.005 0.000 0.298 135 A C -1.555 175.969 177.584 -0.101 0.000 1.185 135 A CA -0.322 51.750 52.037 0.058 0.000 0.830 135 A CB -0.046 18.995 19.000 0.068 0.000 1.112 135 A HN 0.558 nan 8.150 nan 0.000 0.508 136 W N 0.672 121.957 121.300 -0.026 0.000 2.902 136 W HA 0.718 5.374 4.660 -0.006 0.000 0.346 136 W C -0.163 176.310 176.519 -0.076 0.000 1.139 136 W CA -0.544 56.773 57.345 -0.047 0.000 1.139 136 W CB 1.836 31.250 29.460 -0.077 0.000 1.439 136 W HN 0.575 nan 8.180 nan 0.000 0.558 137 M N 2.977 122.667 119.600 0.150 0.000 2.183 137 M HA 0.538 5.015 4.480 -0.005 0.000 0.277 137 M C -1.250 175.014 176.300 -0.060 0.000 0.995 137 M CA 0.059 55.372 55.300 0.021 0.000 0.969 137 M CB 1.812 34.388 32.600 -0.040 0.000 1.659 137 M HN 0.483 nan 8.290 nan 0.000 0.462 138 T N 1.529 116.008 114.554 -0.124 0.000 2.821 138 T HA 0.460 4.807 4.350 -0.005 0.000 0.306 138 T C -0.652 173.886 174.700 -0.270 0.000 1.313 138 T CA -0.569 61.321 62.100 -0.351 0.000 1.012 138 T CB 1.245 69.984 68.868 -0.215 0.000 1.298 138 T HN 0.821 nan 8.240 nan 0.000 0.502 139 N N 1.056 119.526 118.700 -0.383 0.000 2.275 139 N HA 0.266 5.003 4.740 -0.005 0.000 0.236 139 N C -0.596 174.986 175.510 0.119 0.000 1.154 139 N CA -0.442 52.611 53.050 0.005 0.000 0.866 139 N CB 0.740 39.361 38.487 0.223 0.000 1.093 139 N HN 0.313 nan 8.380 nan 0.000 0.515 140 S N 0.405 116.076 115.700 -0.049 0.000 2.461 140 S HA 0.296 4.763 4.470 -0.005 0.000 0.245 140 S C 0.559 175.038 174.600 -0.202 0.000 1.039 140 S CA -0.625 57.524 58.200 -0.085 0.000 1.077 140 S CB -0.241 62.876 63.200 -0.138 0.000 1.171 140 S HN 0.185 nan 8.310 nan 0.000 0.433 141 L N 4.217 125.311 121.223 -0.216 0.000 2.261 141 L HA -0.125 4.212 4.340 -0.005 0.000 0.216 141 L C 2.559 179.272 176.870 -0.261 0.000 1.114 141 L CA 1.512 56.191 54.840 -0.269 0.000 0.777 141 L CB -0.391 41.498 42.059 -0.284 0.000 0.910 141 L HN 0.692 nan 8.230 nan 0.000 0.440 142 K N 0.339 120.592 120.400 -0.246 0.000 2.365 142 K HA -0.102 4.215 4.320 -0.005 0.000 0.199 142 K C 1.841 178.328 176.600 -0.188 0.000 1.045 142 K CA 0.969 57.145 56.287 -0.185 0.000 0.962 142 K CB -0.145 32.247 32.500 -0.180 0.000 0.759 142 K HN 0.327 nan 8.250 nan 0.000 0.469 143 L N 1.054 122.081 121.223 -0.327 0.000 2.109 143 L HA -0.090 4.247 4.340 -0.005 0.000 0.207 143 L C 2.507 179.106 176.870 -0.453 0.000 1.086 143 L CA 0.547 55.191 54.840 -0.326 0.000 0.760 143 L CB -0.353 41.522 42.059 -0.307 0.000 0.910 143 L HN 0.125 nan 8.230 nan 0.000 0.437 144 V N -0.801 118.744 119.914 -0.616 0.000 2.515 144 V HA -0.234 3.883 4.120 -0.005 0.000 0.250 144 V C 2.367 178.069 176.094 -0.653 0.000 1.058 144 V CA 2.363 64.042 62.300 -1.035 0.000 1.064 144 V CB -0.036 31.159 31.823 -1.047 0.000 0.675 144 V HN 0.460 nan 8.190 nan 0.000 0.461 145 T N 0.777 115.104 114.554 -0.377 0.000 2.770 145 T HA -0.024 4.323 4.350 -0.005 0.000 0.263 145 T C 1.933 176.538 174.700 -0.158 0.000 1.039 145 T CA 1.501 63.469 62.100 -0.220 0.000 1.142 145 T CB -0.547 68.256 68.868 -0.108 0.000 0.868 145 T HN 0.663 nan 8.240 nan 0.000 0.435 146 A N 0.631 123.392 122.820 -0.097 0.000 2.234 146 A HA 0.247 4.565 4.320 -0.005 0.000 0.216 146 A C 2.124 179.636 177.584 -0.120 0.000 1.167 146 A CA 1.617 53.621 52.037 -0.055 0.000 0.698 146 A CB -0.533 18.532 19.000 0.108 0.000 0.779 146 A HN 0.513 nan 8.150 nan 0.000 0.475 147 A N -1.804 120.897 122.820 -0.197 0.000 2.287 147 A HA 0.280 4.597 4.320 -0.005 0.000 0.214 147 A C 1.643 179.177 177.584 -0.084 0.000 1.228 147 A CA 0.507 52.459 52.037 -0.142 0.000 0.939 147 A CB 0.343 19.241 19.000 -0.171 0.000 0.992 147 A HN 0.367 nan 8.150 nan 0.000 0.502 148 E N -0.760 119.352 120.200 -0.147 0.000 2.364 148 E HA 0.381 4.729 4.350 -0.005 0.000 0.203 148 E C 0.806 177.372 176.600 -0.056 0.000 0.888 148 E CA 0.717 57.070 56.400 -0.078 0.000 0.989 148 E CB 1.028 30.650 29.700 -0.130 0.000 0.985 148 E HN 0.615 nan 8.360 nan 0.000 0.499 149 G N 1.379 110.135 108.800 -0.073 0.000 2.357 149 G HA2 -0.149 3.808 3.960 -0.005 0.000 0.643 149 G HA3 -0.149 3.808 3.960 -0.005 0.000 0.643 149 G C -0.002 174.882 174.900 -0.027 0.000 1.358 149 G CA -0.405 44.673 45.100 -0.037 0.000 0.986 149 G HN -0.010 nan 8.290 nan 0.000 0.620 150 E N -0.305 119.895 120.200 0.000 0.000 2.187 150 E HA -0.122 4.225 4.350 -0.005 0.000 0.199 150 E C 2.168 178.801 176.600 0.056 0.000 1.004 150 E CA 1.273 57.689 56.400 0.027 0.000 0.813 150 E CB -0.052 29.666 29.700 0.031 0.000 0.736 150 E HN 0.764 nan 8.360 nan 0.000 0.468 151 G N -0.217 108.619 108.800 0.060 0.000 3.440 151 G HA2 0.267 4.224 3.960 -0.005 0.000 0.263 151 G HA3 0.267 4.224 3.960 -0.005 0.000 0.263 151 G C 1.050 175.992 174.900 0.071 0.000 1.236 151 G CA 0.401 45.576 45.100 0.125 0.000 0.927 151 G HN 0.223 nan 8.290 nan 0.000 0.530 152 A N 0.557 123.339 122.820 -0.062 0.000 1.832 152 A HA 0.283 4.600 4.320 -0.005 0.000 0.214 152 A C 1.172 178.512 177.584 -0.408 0.000 1.204 152 A CA 0.446 52.348 52.037 -0.225 0.000 0.606 152 A CB -0.275 18.575 19.000 -0.251 0.000 0.849 152 A HN 0.334 nan 8.150 nan 0.000 0.445 153 L N 0.359 121.369 121.223 -0.354 0.000 2.281 153 L HA 0.196 4.533 4.340 -0.005 0.000 0.285 153 L C -0.976 175.610 176.870 -0.473 0.000 1.074 153 L CA -0.654 53.848 54.840 -0.563 0.000 0.817 153 L CB 0.459 42.085 42.059 -0.721 0.000 1.168 153 L HN 0.440 nan 8.230 nan 0.000 0.434 154 W N 3.982 125.012 121.300 -0.449 0.000 2.357 154 W HA 0.378 5.040 4.660 0.003 0.000 0.317 154 W C -0.271 176.046 176.519 -0.336 0.000 1.101 154 W CA -1.277 55.898 57.345 -0.283 0.000 1.380 154 W CB -0.140 29.240 29.460 -0.134 0.000 1.266 154 W HN 0.240 nan 8.180 nan 0.000 0.419 155 F N 1.778 121.845 119.950 0.195 0.000 2.371 155 F HA 0.222 4.746 4.527 -0.005 0.000 0.329 155 F C 1.266 177.154 175.800 0.146 0.000 1.107 155 F CA -0.412 57.679 58.000 0.152 0.000 1.137 155 F CB 0.713 39.774 39.000 0.101 0.000 1.214 155 F HN 0.073 nan 8.300 nan 0.000 0.536 156 E N 0.896 121.312 120.200 0.361 0.000 2.318 156 E HA 0.119 4.466 4.350 -0.005 0.000 0.265 156 E C -0.354 176.412 176.600 0.278 0.000 1.069 156 E CA -0.480 56.059 56.400 0.233 0.000 0.893 156 E CB 0.757 30.542 29.700 0.141 0.000 1.076 156 E HN 0.439 nan 8.360 nan 0.000 0.414 157 E N 1.391 121.697 120.200 0.177 0.000 2.414 157 E HA -0.086 4.261 4.350 -0.005 0.000 0.263 157 E C 0.826 177.556 176.600 0.215 0.000 1.000 157 E CA 0.320 56.819 56.400 0.165 0.000 0.914 157 E CB 0.396 30.153 29.700 0.094 0.000 0.948 157 E HN 0.481 nan 8.360 nan 0.000 0.444 158 E N 2.048 122.411 120.200 0.270 0.000 2.501 158 E HA -0.173 4.174 4.350 -0.005 0.000 0.203 158 E C 1.309 177.992 176.600 0.137 0.000 1.072 158 E CA 1.013 57.592 56.400 0.299 0.000 0.885 158 E CB -0.032 29.840 29.700 0.286 0.000 0.813 158 E HN 0.443 nan 8.360 nan 0.000 0.556 159 A N 1.138 124.017 122.820 0.098 0.000 1.930 159 A HA 0.019 4.337 4.320 -0.005 0.000 0.215 159 A C 1.799 179.404 177.584 0.035 0.000 1.176 159 A CA 0.658 52.730 52.037 0.058 0.000 0.632 159 A CB -0.023 19.006 19.000 0.048 0.000 0.819 159 A HN 0.227 nan 8.150 nan 0.000 0.445 160 L N -0.788 120.455 121.223 0.035 0.000 2.741 160 L HA 0.233 4.570 4.340 -0.005 0.000 0.237 160 L C 1.083 177.942 176.870 -0.018 0.000 1.178 160 L CA 0.286 55.133 54.840 0.012 0.000 0.973 160 L CB 0.780 42.856 42.059 0.029 0.000 1.255 160 L HN 0.120 nan 8.230 nan 0.000 0.498 161 V N -2.899 116.983 119.914 -0.054 0.000 2.948 161 V HA -0.018 4.099 4.120 -0.005 0.000 0.234 161 V C 1.329 177.341 176.094 -0.136 0.000 1.205 161 V CA 0.433 62.630 62.300 -0.172 0.000 1.234 161 V CB 0.461 31.968 31.823 -0.528 0.000 1.020 161 V HN 0.354 nan 8.190 nan 0.000 0.491 162 C N 2.248 121.510 119.300 -0.062 0.000 2.379 162 C HA 0.177 4.634 4.460 -0.005 0.000 0.346 162 C C 1.786 176.798 174.990 0.036 0.000 1.305 162 C CA 0.303 59.337 59.018 0.027 0.000 1.657 162 C CB -2.210 25.589 27.740 0.097 0.000 1.739 162 C HN 0.761 nan 8.230 nan 0.000 0.594 163 Q N -0.367 119.432 119.800 -0.001 0.000 2.418 163 Q HA 0.195 4.532 4.340 -0.005 0.000 0.176 163 Q C 0.998 176.988 176.000 -0.016 0.000 0.747 163 Q CA -0.149 55.655 55.803 0.001 0.000 0.776 163 Q CB -0.600 28.133 28.738 -0.008 0.000 1.118 163 Q HN 0.194 nan 8.270 nan 0.000 0.570 164 S N -0.020 115.644 115.700 -0.061 0.000 2.542 164 S HA -0.016 4.451 4.470 -0.005 0.000 0.287 164 S C 0.716 175.273 174.600 -0.072 0.000 1.315 164 S CA 0.075 58.224 58.200 -0.086 0.000 1.037 164 S CB 0.114 63.218 63.200 -0.159 0.000 0.822 164 S HN 0.419 nan 8.310 nan 0.000 0.513 165 L N 2.397 123.600 121.223 -0.034 0.000 2.642 165 L HA 0.305 4.642 4.340 -0.005 0.000 0.233 165 L C 0.261 177.169 176.870 0.063 0.000 1.077 165 L CA -0.200 54.663 54.840 0.038 0.000 0.879 165 L CB -0.070 42.022 42.059 0.055 0.000 1.151 165 L HN 0.453 nan 8.230 nan 0.000 0.495 166 M N 1.646 121.236 119.600 -0.017 0.000 2.069 166 M HA 0.376 4.853 4.480 -0.005 0.000 0.349 166 M C -0.748 175.475 176.300 -0.127 0.000 1.194 166 M CA 0.187 55.487 55.300 0.000 0.000 1.081 166 M CB 0.886 33.478 32.600 -0.012 0.000 1.500 166 M HN -0.037 nan 8.290 nan 0.000 0.438 167 R N 1.210 121.633 120.500 -0.129 0.000 2.803 167 R HA 0.825 5.163 4.340 -0.005 0.000 0.276 167 R C -0.481 175.798 176.300 -0.035 0.000 0.978 167 R CA -0.542 55.310 56.100 -0.413 0.000 0.939 167 R CB 1.657 31.192 30.300 -1.276 0.000 1.179 167 R HN 0.765 nan 8.270 nan 0.000 0.472 168 A N 0.820 123.647 122.820 0.011 0.000 2.351 168 A HA 0.148 4.465 4.320 -0.005 0.000 0.257 168 A C 0.223 177.998 177.584 0.319 0.000 1.087 168 A CA -0.175 52.023 52.037 0.268 0.000 0.798 168 A CB 0.193 19.298 19.000 0.174 0.000 1.033 168 A HN 0.892 nan 8.150 nan 0.000 0.488 169 D N 0.291 120.924 120.400 0.389 0.000 2.392 169 D HA -0.113 4.524 4.640 -0.005 0.000 0.228 169 D C 1.001 177.413 176.300 0.185 0.000 1.003 169 D CA 1.464 55.596 54.000 0.219 0.000 0.917 169 D CB -0.655 40.053 40.800 -0.154 0.000 0.890 169 D HN 0.449 nan 8.370 nan 0.000 0.532 170 T N -4.294 110.359 114.554 0.165 0.000 3.085 170 T HA 0.100 4.448 4.350 -0.005 0.000 0.264 170 T C 0.259 175.012 174.700 0.089 0.000 1.019 170 T CA -0.828 61.326 62.100 0.090 0.000 0.910 170 T CB -0.832 68.075 68.868 0.065 0.000 1.059 170 T HN 0.194 nan 8.240 nan 0.000 0.542 171 Y N 2.434 122.733 120.300 -0.003 0.000 2.425 171 Y HA 0.469 5.016 4.550 -0.005 0.000 0.331 171 Y C 0.072 176.001 175.900 0.048 0.000 1.157 171 Y CA 0.217 58.281 58.100 -0.059 0.000 1.372 171 Y CB 0.889 39.193 38.460 -0.260 0.000 1.253 171 Y HN 0.146 nan 8.280 nan 0.000 0.536 172 T N 7.634 121.677 114.554 -0.852 0.000 2.993 172 T HA 0.325 4.672 4.350 -0.005 0.000 0.312 172 T C -2.216 171.981 174.700 -0.838 0.000 1.115 172 T CA -1.675 60.075 62.100 -0.582 0.000 1.027 172 T CB 1.616 70.454 68.868 -0.050 0.000 1.116 172 T HN 0.572 nan 8.240 nan 0.000 0.464 173 P HA 0.110 nan 4.420 nan 0.000 0.229 173 P C 0.336 177.598 177.300 -0.064 0.000 1.160 173 P CA 0.204 63.065 63.100 -0.400 0.000 0.777 173 P CB 0.072 31.508 31.700 -0.442 0.000 0.814 174 V N 2.448 122.316 119.914 -0.077 0.000 2.415 174 V HA 0.053 4.170 4.120 -0.005 0.000 0.267 174 V C 1.820 177.860 176.094 -0.090 0.000 1.042 174 V CA 0.097 62.321 62.300 -0.127 0.000 1.000 174 V CB 0.363 32.058 31.823 -0.213 0.000 1.015 174 V HN 0.041 nan 8.190 nan 0.000 0.478 175 K N 3.608 123.997 120.400 -0.019 0.000 2.063 175 K HA -0.137 4.180 4.320 -0.005 0.000 0.208 175 K C 1.360 177.983 176.600 0.038 0.000 1.048 175 K CA 1.630 57.945 56.287 0.047 0.000 0.928 175 K CB -0.084 32.505 32.500 0.148 0.000 0.713 175 K HN 0.832 nan 8.250 nan 0.000 0.442 176 N N 0.375 119.063 118.700 -0.019 0.000 2.322 176 N HA 0.075 4.812 4.740 -0.005 0.000 0.216 176 N C -0.657 174.761 175.510 -0.153 0.000 1.144 176 N CA -0.012 52.963 53.050 -0.125 0.000 0.830 176 N CB 0.567 38.790 38.487 -0.440 0.000 1.034 176 N HN -0.015 nan 8.380 nan 0.000 0.484 177 A N -0.047 122.713 122.820 -0.099 0.000 2.422 177 A HA 0.488 4.805 4.320 -0.005 0.000 0.302 177 A C -0.948 176.635 177.584 -0.002 0.000 1.041 177 A CA -0.728 51.276 52.037 -0.054 0.000 0.708 177 A CB 1.920 20.881 19.000 -0.065 0.000 1.257 177 A HN 0.251 nan 8.150 nan 0.000 0.414 178 Q N 1.094 120.892 119.800 -0.002 0.000 2.274 178 Q HA 0.517 4.854 4.340 -0.005 0.000 0.260 178 Q C -0.501 175.449 176.000 -0.084 0.000 0.974 178 Q CA -0.698 55.081 55.803 -0.039 0.000 0.876 178 Q CB 1.266 29.964 28.738 -0.067 0.000 1.297 178 Q HN 0.716 nan 8.270 nan 0.000 0.446 179 R N 4.596 125.006 120.500 -0.150 0.000 2.204 179 R HA 0.306 4.643 4.340 -0.005 0.000 0.341 179 R C -0.659 175.489 176.300 -0.252 0.000 1.035 179 R CA -0.352 55.535 56.100 -0.355 0.000 0.887 179 R CB 0.306 30.431 30.300 -0.292 0.000 1.114 179 R HN 0.640 nan 8.270 nan 0.000 0.473 180 L N 4.883 125.918 121.223 -0.314 0.000 2.534 180 L HA 0.039 4.376 4.340 -0.005 0.000 0.271 180 L C 0.768 177.555 176.870 -0.137 0.000 1.178 180 L CA 0.321 54.935 54.840 -0.377 0.000 0.907 180 L CB 0.172 41.859 42.059 -0.621 0.000 1.164 180 L HN 0.540 nan 8.230 nan 0.000 0.482 181 K N 5.736 126.157 120.400 0.035 0.000 2.511 181 K HA 0.069 4.387 4.320 -0.005 0.000 0.280 181 K C -2.250 174.435 176.600 0.141 0.000 1.008 181 K CA -1.153 55.198 56.287 0.107 0.000 1.050 181 K CB 0.555 33.139 32.500 0.142 0.000 0.889 181 K HN 0.207 nan 8.250 nan 0.000 0.484 182 P HA 0.046 nan 4.420 nan 0.000 0.271 182 P C -0.456 176.859 177.300 0.026 0.000 1.218 182 P CA 0.351 63.468 63.100 0.029 0.000 0.780 182 P CB 0.803 32.484 31.700 -0.031 0.000 0.901 183 G N 0.599 109.410 108.800 0.019 0.000 2.298 183 G HA2 0.072 4.029 3.960 -0.005 0.000 0.287 183 G HA3 0.072 4.029 3.960 -0.005 0.000 0.287 183 G C 0.014 174.905 174.900 -0.015 0.000 1.075 183 G CA 0.059 45.155 45.100 -0.006 0.000 0.960 183 G HN 0.804 nan 8.290 nan 0.000 0.502 184 A N -1.661 121.148 122.820 -0.019 0.000 2.609 184 A HA 0.930 5.247 4.320 -0.005 0.000 0.291 184 A C -0.475 176.923 177.584 -0.310 0.000 1.096 184 A CA 0.035 51.967 52.037 -0.175 0.000 0.684 184 A CB 2.030 20.888 19.000 -0.237 0.000 1.282 184 A HN 1.771 nan 8.150 nan 0.000 0.412 185 V N 2.310 122.015 119.914 -0.349 0.000 2.398 185 V HA 0.606 4.724 4.120 -0.005 0.000 0.286 185 V C -1.143 174.713 176.094 -0.397 0.000 1.026 185 V CA -0.403 61.774 62.300 -0.205 0.000 0.868 185 V CB 1.037 32.853 31.823 -0.011 0.000 0.982 185 V HN 0.838 nan 8.190 nan 0.000 0.443 186 H N 5.105 124.237 119.070 0.103 0.000 2.547 186 H HA 0.453 5.006 4.556 -0.005 0.000 0.342 186 H C -0.682 174.678 175.328 0.053 0.000 1.048 186 H CA -0.443 55.633 56.048 0.046 0.000 1.204 186 H CB 2.020 31.797 29.762 0.025 0.000 1.493 186 H HN 0.521 nan 8.280 nan 0.000 0.511 187 V N 5.752 125.731 119.914 0.108 0.000 2.334 187 V HA 0.154 4.271 4.120 -0.005 0.000 0.281 187 V C -0.750 175.349 176.094 0.009 0.000 1.016 187 V CA -0.741 61.606 62.300 0.078 0.000 0.832 187 V CB 0.559 32.430 31.823 0.080 0.000 0.999 187 V HN 0.447 nan 8.190 nan 0.000 0.439 188 L N 7.890 129.106 121.223 -0.011 0.000 2.404 188 L HA 0.329 4.666 4.340 -0.005 0.000 0.277 188 L C 1.149 177.919 176.870 -0.167 0.000 1.184 188 L CA 0.810 55.580 54.840 -0.116 0.000 1.013 188 L CB 0.055 42.043 42.059 -0.117 0.000 1.318 188 L HN 0.910 nan 8.230 nan 0.000 0.435 189 T N -0.985 113.478 114.554 -0.151 0.000 2.824 189 T HA 0.556 4.903 4.350 -0.005 0.000 0.277 189 T C -0.181 174.295 174.700 -0.372 0.000 0.975 189 T CA -0.511 61.530 62.100 -0.099 0.000 0.966 189 T CB 0.945 69.860 68.868 0.078 0.000 1.054 189 T HN 0.484 nan 8.240 nan 0.000 0.533 190 H N 0.312 119.388 119.070 0.011 0.000 2.840 190 H HA 0.421 4.974 4.556 -0.006 0.000 0.340 190 H C -0.632 174.719 175.328 0.037 0.000 1.004 190 H CA -0.730 55.316 56.048 -0.003 0.000 1.288 190 H CB 1.144 30.858 29.762 -0.080 0.000 1.607 190 H HN 0.892 nan 8.280 nan 0.000 0.522 191 D N 0.447 120.926 120.400 0.132 0.000 2.380 191 D HA -0.021 4.616 4.640 -0.005 0.000 0.254 191 D C 1.391 177.743 176.300 0.086 0.000 1.288 191 D CA -0.063 53.984 54.000 0.079 0.000 1.008 191 D CB 0.374 41.191 40.800 0.029 0.000 1.099 191 D HN 0.424 nan 8.370 nan 0.000 0.537 192 S N -1.499 114.236 115.700 0.058 0.000 2.440 192 S HA -0.200 4.267 4.470 -0.005 0.000 0.240 192 S C 1.052 175.681 174.600 0.048 0.000 1.014 192 S CA 0.869 59.098 58.200 0.048 0.000 0.980 192 S CB -0.397 62.824 63.200 0.034 0.000 0.775 192 S HN 0.502 nan 8.310 nan 0.000 0.499 193 E N 0.386 120.631 120.200 0.076 0.000 2.501 193 E HA 0.296 4.643 4.350 -0.005 0.000 0.200 193 E C 1.197 177.705 176.600 -0.154 0.000 1.016 193 E CA 0.377 56.793 56.400 0.026 0.000 0.921 193 E CB 0.247 30.054 29.700 0.178 0.000 1.034 193 E HN 0.649 nan 8.360 nan 0.000 0.468 194 G N 1.017 109.783 108.800 -0.057 0.000 2.179 194 G HA2 -0.313 3.644 3.960 -0.005 0.000 0.260 194 G HA3 -0.313 3.644 3.960 -0.005 0.000 0.260 194 G C -0.040 174.829 174.900 -0.051 0.000 0.977 194 G CA 0.122 45.176 45.100 -0.077 0.000 0.641 194 G HN 0.232 nan 8.290 nan 0.000 0.533 195 Y N 1.407 121.781 120.300 0.123 0.000 2.346 195 Y HA 0.555 5.102 4.550 -0.005 0.000 0.330 195 Y C 1.237 177.181 175.900 0.073 0.000 1.178 195 Y CA 0.178 58.340 58.100 0.104 0.000 1.331 195 Y CB 1.196 39.686 38.460 0.051 0.000 1.253 195 Y HN 0.172 nan 8.280 nan 0.000 0.529 196 S N 2.989 118.793 115.700 0.173 0.000 2.573 196 S HA 0.326 4.793 4.470 -0.005 0.000 0.277 196 S C -1.145 173.497 174.600 0.071 0.000 1.346 196 S CA -0.117 58.013 58.200 -0.116 0.000 1.034 196 S CB -0.096 63.047 63.200 -0.095 0.000 0.879 196 S HN 0.469 nan 8.310 nan 0.000 0.528 197 F N 4.170 123.976 119.950 -0.239 0.000 2.839 197 F HA 0.381 4.905 4.527 -0.006 0.000 0.344 197 F C -1.223 174.505 175.800 -0.120 0.000 1.242 197 F CA -0.783 57.143 58.000 -0.123 0.000 1.091 197 F CB 0.858 39.813 39.000 -0.076 0.000 1.374 197 F HN 0.343 nan 8.300 nan 0.000 0.553 198 V N 5.536 125.132 119.914 -0.530 0.000 2.385 198 V HA 0.302 4.419 4.120 -0.005 0.000 0.269 198 V C -0.275 175.485 176.094 -0.556 0.000 1.043 198 V CA -0.443 61.613 62.300 -0.405 0.000 0.906 198 V CB 1.072 32.750 31.823 -0.242 0.000 0.995 198 V HN 0.629 nan 8.190 nan 0.000 0.467 199 E N 3.409 123.406 120.200 -0.339 0.000 2.055 199 E HA 0.446 4.793 4.350 -0.005 0.000 0.274 199 E C -0.505 176.048 176.600 -0.078 0.000 0.949 199 E CA -0.211 56.049 56.400 -0.233 0.000 0.775 199 E CB 1.276 30.924 29.700 -0.086 0.000 1.097 199 E HN 0.655 nan 8.360 nan 0.000 0.404 200 S N 2.782 118.449 115.700 -0.055 0.000 2.681 200 S HA 0.608 5.076 4.470 -0.005 0.000 0.299 200 S C -0.278 174.287 174.600 -0.060 0.000 1.113 200 S CA -0.826 57.368 58.200 -0.011 0.000 1.013 200 S CB 1.643 64.931 63.200 0.146 0.000 1.076 200 S HN 0.426 nan 8.310 nan 0.000 0.534 201 R N 0.930 121.357 120.500 -0.121 0.000 2.572 201 R HA 0.219 4.556 4.340 -0.005 0.000 0.273 201 R C -1.103 175.131 176.300 -0.110 0.000 1.168 201 R CA -0.232 55.816 56.100 -0.086 0.000 1.021 201 R CB 1.537 31.797 30.300 -0.066 0.000 1.249 201 R HN 0.711 nan 8.270 nan 0.000 0.423 202 T N 3.650 118.166 114.554 -0.064 0.000 2.916 202 T HA 0.171 4.518 4.350 -0.005 0.000 0.303 202 T C 1.318 175.980 174.700 -0.064 0.000 1.025 202 T CA -0.087 61.980 62.100 -0.056 0.000 1.142 202 T CB 0.378 69.232 68.868 -0.023 0.000 0.947 202 T HN 0.556 nan 8.240 nan 0.000 0.544 203 L N 4.221 125.404 121.223 -0.067 0.000 2.592 203 L HA 0.230 4.567 4.340 -0.005 0.000 0.227 203 L C 1.306 178.134 176.870 -0.069 0.000 1.127 203 L CA -0.060 54.740 54.840 -0.068 0.000 0.884 203 L CB -0.424 41.600 42.059 -0.058 0.000 1.065 203 L HN 0.767 nan 8.230 nan 0.000 0.457 204 T N -3.314 111.201 114.554 -0.066 0.000 2.865 204 T HA 0.638 4.985 4.350 -0.005 0.000 0.294 204 T C -0.182 174.484 174.700 -0.057 0.000 1.119 204 T CA -0.598 61.458 62.100 -0.074 0.000 1.007 204 T CB 2.408 71.216 68.868 -0.100 0.000 1.225 204 T HN 0.004 nan 8.240 nan 0.000 0.515 205 T N -0.909 113.609 114.554 -0.060 0.000 2.916 205 T HA 0.732 5.079 4.350 -0.005 0.000 0.292 205 T C -2.926 171.740 174.700 -0.056 0.000 1.055 205 T CA -1.565 60.508 62.100 -0.045 0.000 1.009 205 T CB 0.300 69.146 68.868 -0.037 0.000 1.118 205 T HN 0.589 nan 8.240 nan 0.000 0.497 206 P HA 0.441 nan 4.420 nan 0.000 0.264 206 P C -0.469 176.796 177.300 -0.059 0.000 1.193 206 P CA -0.243 62.828 63.100 -0.048 0.000 0.763 206 P CB 0.062 31.755 31.700 -0.013 0.000 0.810 207 A N 2.947 125.696 122.820 -0.118 0.000 2.351 207 A HA 0.367 4.685 4.320 -0.005 0.000 0.257 207 A C 0.740 178.338 177.584 0.023 0.000 1.087 207 A CA -0.298 51.686 52.037 -0.089 0.000 0.798 207 A CB 0.083 18.964 19.000 -0.198 0.000 1.033 207 A HN 0.544 nan 8.150 nan 0.000 0.488 208 S N 0.489 116.216 115.700 0.045 0.000 2.558 208 S HA -0.014 4.453 4.470 -0.005 0.000 0.287 208 S C 0.683 175.358 174.600 0.125 0.000 1.321 208 S CA -0.103 58.137 58.200 0.066 0.000 1.048 208 S CB -0.071 63.154 63.200 0.042 0.000 0.844 208 S HN 0.645 nan 8.310 nan 0.000 0.512 209 N N 2.007 120.751 118.700 0.074 0.000 2.203 209 N HA 0.108 4.845 4.740 -0.005 0.000 0.207 209 N C -0.489 175.006 175.510 -0.025 0.000 1.130 209 N CA -0.059 53.003 53.050 0.020 0.000 0.861 209 N CB 0.252 38.743 38.487 0.006 0.000 1.005 209 N HN 0.581 nan 8.380 nan 0.000 0.507 210 Q N 0.704 120.505 119.800 0.001 0.000 2.364 210 Q HA 0.112 4.449 4.340 -0.005 0.000 0.267 210 Q C 0.138 176.128 176.000 -0.017 0.000 0.999 210 Q CA -0.364 55.434 55.803 -0.008 0.000 0.886 210 Q CB 0.922 29.665 28.738 0.009 0.000 1.243 210 Q HN 0.072 nan 8.270 nan 0.000 0.415 211 L N 2.002 123.205 121.223 -0.034 0.000 2.525 211 L HA -0.014 4.323 4.340 -0.005 0.000 0.278 211 L C 0.340 177.228 176.870 0.030 0.000 1.218 211 L CA 0.705 55.519 54.840 -0.043 0.000 0.878 211 L CB -0.128 41.867 42.059 -0.106 0.000 1.127 211 L HN 0.432 nan 8.230 nan 0.000 0.492 212 L N 4.168 125.428 121.223 0.062 0.000 2.259 212 L HA 0.403 4.740 4.340 -0.005 0.000 0.288 212 L C 0.267 177.243 176.870 0.178 0.000 1.051 212 L CA -0.500 54.399 54.840 0.099 0.000 0.824 212 L CB 0.895 43.002 42.059 0.081 0.000 1.206 212 L HN 0.803 nan 8.230 nan 0.000 0.429 213 A N 6.022 128.938 122.820 0.159 0.000 3.126 213 A HA 0.261 4.578 4.320 -0.005 0.000 0.268 213 A C -0.358 177.309 177.584 0.138 0.000 1.605 213 A CA -0.426 51.714 52.037 0.173 0.000 1.305 213 A CB -0.351 18.724 19.000 0.125 0.000 1.160 213 A HN 0.595 nan 8.150 nan 0.000 0.609 214 L N 3.202 124.525 121.223 0.166 0.000 2.290 214 L HA 0.423 4.760 4.340 -0.005 0.000 0.284 214 L C -1.837 175.120 176.870 0.145 0.000 1.078 214 L CA -1.670 53.236 54.840 0.109 0.000 0.815 214 L CB 0.569 42.661 42.059 0.055 0.000 1.162 214 L HN 0.323 nan 8.230 nan 0.000 0.435 215 P HA -0.009 nan 4.420 nan 0.000 0.270 215 P C 0.213 177.583 177.300 0.118 0.000 1.227 215 P CA -0.173 62.994 63.100 0.111 0.000 0.788 215 P CB 0.669 32.405 31.700 0.061 0.000 0.926 216 R N 1.048 121.642 120.500 0.157 0.000 2.082 216 R HA -0.180 4.158 4.340 -0.005 0.000 0.234 216 R C 2.170 178.500 176.300 0.051 0.000 1.136 216 R CA 1.998 58.182 56.100 0.140 0.000 0.935 216 R CB -0.373 30.026 30.300 0.164 0.000 0.842 216 R HN 0.508 nan 8.270 nan 0.000 0.430 217 E N -0.484 119.744 120.200 0.047 0.000 2.058 217 E HA -0.171 4.176 4.350 -0.005 0.000 0.194 217 E C -0.776 175.826 176.600 0.003 0.000 0.997 217 E CA 1.542 57.959 56.400 0.028 0.000 0.801 217 E CB -0.711 29.006 29.700 0.028 0.000 0.746 217 E HN 0.447 nan 8.360 nan 0.000 0.450 218 P HA -0.157 nan 4.420 nan 0.000 0.216 218 P C 1.542 178.811 177.300 -0.051 0.000 1.153 218 P CA 0.770 63.857 63.100 -0.021 0.000 0.848 218 P CB -0.005 31.692 31.700 -0.005 0.000 0.787 219 L N -0.536 120.648 121.223 -0.066 0.000 2.046 219 L HA -0.140 4.197 4.340 -0.005 0.000 0.208 219 L C 2.021 178.820 176.870 -0.119 0.000 1.077 219 L CA 1.948 56.715 54.840 -0.121 0.000 0.747 219 L CB -1.341 40.565 42.059 -0.255 0.000 0.896 219 L HN 0.002 nan 8.230 nan 0.000 0.432 220 L N -0.061 121.114 121.223 -0.080 0.000 2.046 220 L HA -0.190 4.147 4.340 -0.005 0.000 0.208 220 L C 2.859 179.678 176.870 -0.085 0.000 1.077 220 L CA 1.276 56.085 54.840 -0.051 0.000 0.747 220 L CB -0.819 41.269 42.059 0.049 0.000 0.896 220 L HN 0.314 nan 8.230 nan 0.000 0.432 221 A N 0.101 122.880 122.820 -0.068 0.000 1.902 221 A HA -0.179 4.139 4.320 -0.005 0.000 0.217 221 A C 2.255 179.720 177.584 -0.200 0.000 1.181 221 A CA 1.455 53.437 52.037 -0.092 0.000 0.623 221 A CB -0.696 18.262 19.000 -0.072 0.000 0.818 221 A HN 0.365 nan 8.150 nan 0.000 0.443 222 L N -0.369 120.718 121.223 -0.227 0.000 2.083 222 L HA -0.170 4.167 4.340 -0.005 0.000 0.209 222 L C 2.403 179.062 176.870 -0.353 0.000 1.083 222 L CA 0.716 55.327 54.840 -0.380 0.000 0.752 222 L CB -0.455 41.494 42.059 -0.184 0.000 0.899 222 L HN 0.332 nan 8.230 nan 0.000 0.433 223 I N 0.007 120.432 120.570 -0.240 0.000 2.202 223 I HA -0.290 3.877 4.170 -0.005 0.000 0.242 223 I C 2.214 178.074 176.117 -0.428 0.000 1.091 223 I CA 1.619 62.750 61.300 -0.281 0.000 1.368 223 I CB -1.038 36.693 38.000 -0.448 0.000 1.058 223 I HN 0.314 nan 8.210 nan 0.000 0.410 224 D N 0.845 120.978 120.400 -0.445 0.000 2.087 224 D HA -0.245 4.392 4.640 -0.005 0.000 0.192 224 D C 2.452 178.677 176.300 -0.125 0.000 0.993 224 D CA 1.501 55.376 54.000 -0.209 0.000 0.828 224 D CB -0.061 40.757 40.800 0.031 0.000 0.968 224 D HN 0.077 nan 8.370 nan 0.000 0.448 225 R N -1.132 119.246 120.500 -0.203 0.000 2.094 225 R HA -0.212 4.125 4.340 -0.005 0.000 0.239 225 R C 2.173 178.398 176.300 -0.125 0.000 1.137 225 R CA 1.614 57.588 56.100 -0.210 0.000 0.943 225 R CB -0.505 29.560 30.300 -0.391 0.000 0.850 225 R HN 0.334 nan 8.270 nan 0.000 0.433 226 Y N 0.478 120.730 120.300 -0.080 0.000 2.373 226 Y HA -0.060 4.487 4.550 -0.005 0.000 0.293 226 Y C 2.106 177.930 175.900 -0.126 0.000 1.129 226 Y CA 0.576 58.618 58.100 -0.097 0.000 1.226 226 Y CB -0.332 38.066 38.460 -0.102 0.000 1.000 226 Y HN 0.081 nan 8.280 nan 0.000 0.549 227 L N -0.437 120.771 121.223 -0.026 0.000 2.240 227 L HA -0.132 4.205 4.340 -0.005 0.000 0.211 227 L C 1.819 178.663 176.870 -0.043 0.000 1.106 227 L CA 0.805 55.570 54.840 -0.125 0.000 0.793 227 L CB -0.216 41.710 42.059 -0.221 0.000 0.927 227 L HN 0.222 nan 8.230 nan 0.000 0.446 228 N N -0.220 118.484 118.700 0.007 0.000 2.395 228 N HA 0.005 4.742 4.740 -0.005 0.000 0.175 228 N C 1.873 177.341 175.510 -0.071 0.000 1.029 228 N CA 0.967 54.031 53.050 0.024 0.000 0.897 228 N CB 0.193 38.772 38.487 0.154 0.000 0.991 228 N HN 0.209 nan 8.380 nan 0.000 0.441 229 A N 2.429 125.242 122.820 -0.012 0.000 1.873 229 A HA -0.119 4.198 4.320 -0.005 0.000 0.218 229 A C -0.274 177.282 177.584 -0.047 0.000 1.193 229 A CA 1.588 53.622 52.037 -0.005 0.000 0.629 229 A CB -1.623 17.422 19.000 0.074 0.000 0.826 229 A HN 0.181 nan 8.150 nan 0.000 0.447 230 P HA -0.112 nan 4.420 nan 0.000 0.218 230 P C 1.095 178.355 177.300 -0.067 0.000 1.148 230 P CA 0.804 63.877 63.100 -0.045 0.000 0.822 230 P CB -0.048 31.630 31.700 -0.036 0.000 0.784 231 L N -0.696 120.449 121.223 -0.131 0.000 2.240 231 L HA -0.068 4.269 4.340 -0.005 0.000 0.211 231 L C 2.102 178.709 176.870 -0.439 0.000 1.106 231 L CA 1.638 56.351 54.840 -0.212 0.000 0.793 231 L CB -1.304 40.578 42.059 -0.294 0.000 0.927 231 L HN -0.002 nan 8.230 nan 0.000 0.446 232 E N -0.691 119.264 120.200 -0.408 0.000 2.274 232 E HA -0.225 4.122 4.350 -0.005 0.000 0.194 232 E C 1.335 177.844 176.600 -0.151 0.000 0.996 232 E CA 1.034 57.264 56.400 -0.285 0.000 0.840 232 E CB -0.030 29.583 29.700 -0.145 0.000 0.772 232 E HN 0.472 nan 8.360 nan 0.000 0.491 233 D N 0.161 120.502 120.400 -0.098 0.000 2.277 233 D HA -0.042 4.595 4.640 -0.005 0.000 0.208 233 D C 1.404 177.705 176.300 0.002 0.000 0.962 233 D CA 0.611 54.594 54.000 -0.028 0.000 0.865 233 D CB 0.263 41.067 40.800 0.007 0.000 0.939 233 D HN 0.082 nan 8.370 nan 0.000 0.510 234 L N -0.540 120.678 121.223 -0.008 0.000 2.640 234 L HA 0.414 4.751 4.340 -0.005 0.000 0.230 234 L C 2.128 178.990 176.870 -0.014 0.000 1.123 234 L CA 0.137 55.063 54.840 0.143 0.000 0.900 234 L CB 0.142 42.374 42.059 0.289 0.000 1.146 234 L HN 0.006 nan 8.230 nan 0.000 0.484 235 A N 1.317 123.966 122.820 -0.285 0.000 1.855 235 A HA -0.040 4.277 4.320 -0.005 0.000 0.215 235 A C -0.072 177.422 177.584 -0.150 0.000 1.191 235 A CA 1.291 53.087 52.037 -0.401 0.000 0.613 235 A CB -1.543 17.265 19.000 -0.321 0.000 0.829 235 A HN 0.208 nan 8.150 nan 0.000 0.442 236 P HA -0.194 nan 4.420 nan 0.000 0.212 236 P C 0.776 178.038 177.300 -0.063 0.000 1.174 236 P CA 1.794 64.855 63.100 -0.065 0.000 0.934 236 P CB -0.166 31.498 31.700 -0.060 0.000 0.791 237 R N -1.760 118.686 120.500 -0.091 0.000 2.584 237 R HA 0.314 4.651 4.340 -0.005 0.000 0.253 237 R C -0.418 175.852 176.300 -0.049 0.000 1.251 237 R CA -0.798 55.174 56.100 -0.214 0.000 1.129 237 R CB -0.795 29.201 30.300 -0.506 0.000 1.239 237 R HN -0.087 nan 8.270 nan 0.000 0.595 238 F N 1.084 121.074 119.950 0.065 0.000 2.166 238 F HA -0.175 4.350 4.527 -0.005 0.000 0.274 238 F C 0.511 176.413 175.800 0.171 0.000 1.057 238 F CA 0.917 58.988 58.000 0.118 0.000 1.006 238 F CB -1.345 37.763 39.000 0.179 0.000 1.376 238 F HN 0.725 nan 8.300 nan 0.000 0.773 239 D N -0.312 120.239 120.400 0.252 0.000 2.194 239 D HA -0.038 4.599 4.640 -0.005 0.000 0.204 239 D C 0.839 177.282 176.300 0.238 0.000 0.964 239 D CA 1.176 55.295 54.000 0.198 0.000 0.846 239 D CB 0.078 40.942 40.800 0.106 0.000 0.962 239 D HN 0.446 nan 8.370 nan 0.000 0.490 240 T N 0.657 115.334 114.554 0.206 0.000 2.885 240 T HA 0.498 4.846 4.350 -0.005 0.000 0.285 240 T C -0.677 174.051 174.700 0.047 0.000 1.019 240 T CA -0.670 61.495 62.100 0.109 0.000 1.010 240 T CB 3.076 71.971 68.868 0.045 0.000 1.022 240 T HN -0.115 nan 8.240 nan 0.000 0.466 241 V N 1.174 121.019 119.914 -0.116 0.000 2.925 241 V HA 0.860 4.978 4.120 -0.005 0.000 0.311 241 V C -0.246 175.745 176.094 -0.171 0.000 1.104 241 V CA -0.410 61.720 62.300 -0.283 0.000 0.954 241 V CB 2.061 33.413 31.823 -0.785 0.000 1.022 241 V HN 1.052 nan 8.190 nan 0.000 0.427 242 G N 5.410 114.127 108.800 -0.138 0.000 2.356 242 G HA2 0.703 4.661 3.960 -0.005 0.000 0.322 242 G HA3 0.703 4.661 3.960 -0.005 0.000 0.322 242 G C -1.058 173.820 174.900 -0.037 0.000 1.125 242 G CA -0.497 44.605 45.100 0.002 0.000 0.885 242 G HN 0.736 nan 8.290 nan 0.000 0.467 243 I N 2.753 123.373 120.570 0.083 0.000 2.497 243 I HA 0.234 4.402 4.170 -0.005 0.000 0.284 243 I C -2.545 173.648 176.117 0.126 0.000 1.060 243 I CA -2.123 59.209 61.300 0.054 0.000 1.071 243 I CB 3.287 41.301 38.000 0.024 0.000 1.216 243 I HN 0.211 nan 8.210 nan 0.000 0.442 244 P HA 0.162 nan 4.420 nan 0.000 0.268 244 P C -0.617 176.742 177.300 0.098 0.000 1.282 244 P CA 0.096 63.259 63.100 0.105 0.000 0.880 244 P CB 0.318 32.045 31.700 0.045 0.000 0.971 245 L N 3.341 124.620 121.223 0.093 0.000 2.257 245 L HA 0.177 4.514 4.340 -0.005 0.000 0.290 245 L C 1.310 178.214 176.870 0.058 0.000 1.044 245 L CA 0.049 54.916 54.840 0.046 0.000 0.810 245 L CB 1.047 43.089 42.059 -0.027 0.000 1.193 245 L HN 0.331 nan 8.230 nan 0.000 0.425 246 S N 1.628 117.370 115.700 0.069 0.000 2.486 246 S HA 0.166 4.634 4.470 -0.005 0.000 0.220 246 S C 1.216 175.880 174.600 0.108 0.000 1.011 246 S CA 0.405 58.659 58.200 0.091 0.000 0.921 246 S CB 0.580 63.817 63.200 0.062 0.000 0.785 246 S HN 1.011 nan 8.310 nan 0.000 0.517 247 G N 0.485 109.333 108.800 0.080 0.000 2.195 247 G HA2 -0.058 3.899 3.960 -0.005 0.000 0.224 247 G HA3 -0.058 3.899 3.960 -0.005 0.000 0.224 247 G C 0.499 175.421 174.900 0.037 0.000 0.990 247 G CA -0.137 45.029 45.100 0.111 0.000 0.639 247 G HN 1.014 nan 8.290 nan 0.000 0.514 248 G N -0.459 108.341 108.800 -0.000 0.000 2.683 248 G HA2 0.481 4.439 3.960 -0.005 0.000 0.260 248 G HA3 0.481 4.439 3.960 -0.005 0.000 0.260 248 G C 1.244 176.121 174.900 -0.039 0.000 1.238 248 G CA 0.117 45.186 45.100 -0.051 0.000 0.934 248 G HN 0.669 nan 8.290 nan 0.000 0.534 249 L N -0.427 120.757 121.223 -0.065 0.000 2.017 249 L HA -0.060 4.277 4.340 -0.005 0.000 0.208 249 L C 2.040 178.900 176.870 -0.017 0.000 1.073 249 L CA 2.359 57.162 54.840 -0.062 0.000 0.745 249 L CB -0.964 41.031 42.059 -0.108 0.000 0.894 249 L HN 0.557 nan 8.230 nan 0.000 0.432 250 D N 0.193 120.575 120.400 -0.031 0.000 2.077 250 D HA -0.173 4.464 4.640 -0.005 0.000 0.193 250 D C 2.236 178.618 176.300 0.136 0.000 0.989 250 D CA 1.885 55.899 54.000 0.023 0.000 0.831 250 D CB -0.327 40.346 40.800 -0.213 0.000 0.979 250 D HN 0.470 nan 8.370 nan 0.000 0.449 251 S N 0.930 116.681 115.700 0.084 0.000 2.387 251 S HA -0.161 4.306 4.470 -0.005 0.000 0.230 251 S C 2.210 176.872 174.600 0.104 0.000 1.035 251 S CA 1.552 59.822 58.200 0.116 0.000 1.014 251 S CB -0.487 62.761 63.200 0.081 0.000 0.836 251 S HN 0.063 nan 8.310 nan 0.000 0.466 252 S N 1.924 117.668 115.700 0.073 0.000 2.368 252 S HA 0.062 4.529 4.470 -0.005 0.000 0.224 252 S C 1.734 176.379 174.600 0.075 0.000 1.029 252 S CA 1.064 59.300 58.200 0.059 0.000 0.988 252 S CB -0.614 62.608 63.200 0.036 0.000 0.838 252 S HN 0.440 nan 8.310 nan 0.000 0.462 253 L N 2.064 123.347 121.223 0.099 0.000 2.083 253 L HA -0.023 4.314 4.340 -0.005 0.000 0.209 253 L C 2.127 179.088 176.870 0.152 0.000 1.083 253 L CA 1.527 56.438 54.840 0.119 0.000 0.752 253 L CB -0.769 41.395 42.059 0.174 0.000 0.899 253 L HN 0.120 nan 8.230 nan 0.000 0.433 254 V N -0.607 119.425 119.914 0.195 0.000 2.261 254 V HA -0.298 3.819 4.120 -0.005 0.000 0.246 254 V C 2.469 178.641 176.094 0.131 0.000 1.047 254 V CA 2.227 64.635 62.300 0.181 0.000 1.015 254 V CB -1.155 30.797 31.823 0.215 0.000 0.642 254 V HN 0.542 nan 8.190 nan 0.000 0.446 255 T N 0.552 115.167 114.554 0.102 0.000 2.737 255 T HA -0.238 4.109 4.350 -0.005 0.000 0.269 255 T C 2.001 176.749 174.700 0.081 0.000 1.040 255 T CA 1.720 63.862 62.100 0.071 0.000 1.142 255 T CB -0.466 68.433 68.868 0.052 0.000 0.861 255 T HN 0.585 nan 8.240 nan 0.000 0.456 256 A N 1.243 124.111 122.820 0.080 0.000 1.855 256 A HA 0.078 4.395 4.320 -0.005 0.000 0.215 256 A C 2.310 179.948 177.584 0.089 0.000 1.191 256 A CA 1.097 53.173 52.037 0.065 0.000 0.613 256 A CB -0.826 18.196 19.000 0.037 0.000 0.829 256 A HN 0.469 nan 8.150 nan 0.000 0.442 257 L N -0.724 120.573 121.223 0.124 0.000 2.201 257 L HA -0.151 4.186 4.340 -0.005 0.000 0.212 257 L C 2.968 180.009 176.870 0.286 0.000 1.105 257 L CA 0.799 55.747 54.840 0.180 0.000 0.775 257 L CB -0.428 41.757 42.059 0.210 0.000 0.913 257 L HN 0.460 nan 8.230 nan 0.000 0.440 258 A N -0.003 122.976 122.820 0.265 0.000 1.968 258 A HA -0.172 4.145 4.320 -0.005 0.000 0.217 258 A C 2.509 180.320 177.584 0.378 0.000 1.169 258 A CA 1.593 53.857 52.037 0.379 0.000 0.638 258 A CB -0.501 18.584 19.000 0.142 0.000 0.812 258 A HN 0.499 nan 8.150 nan 0.000 0.446 259 S N 0.044 115.865 115.700 0.202 0.000 2.423 259 S HA -0.127 4.340 4.470 -0.005 0.000 0.231 259 S C 1.648 176.314 174.600 0.109 0.000 1.014 259 S CA 1.074 59.364 58.200 0.149 0.000 0.965 259 S CB -0.357 62.897 63.200 0.089 0.000 0.785 259 S HN 0.614 nan 8.310 nan 0.000 0.495 260 R N -0.367 120.166 120.500 0.054 0.000 2.310 260 R HA 0.303 4.640 4.340 -0.005 0.000 0.202 260 R C 1.469 177.605 176.300 -0.273 0.000 0.933 260 R CA 0.467 56.503 56.100 -0.107 0.000 1.054 260 R CB -0.051 30.144 30.300 -0.175 0.000 0.985 260 R HN 0.532 nan 8.270 nan 0.000 0.489 261 H N -1.371 117.753 119.070 0.090 0.000 2.258 261 H HA 0.194 4.747 4.556 -0.005 0.000 0.250 261 H C 0.413 175.662 175.328 -0.132 0.000 0.908 261 H CA 0.246 56.262 56.048 -0.054 0.000 1.096 261 H CB 0.168 29.844 29.762 -0.143 0.000 1.422 261 H HN -0.072 nan 8.280 nan 0.000 0.469 262 F N 1.339 121.386 119.950 0.161 0.000 2.181 262 F HA 0.217 4.741 4.527 -0.005 0.000 0.285 262 F C 1.874 177.716 175.800 0.069 0.000 1.134 262 F CA -0.155 57.908 58.000 0.106 0.000 1.139 262 F CB 0.687 39.743 39.000 0.093 0.000 1.614 262 F HN -0.227 nan 8.300 nan 0.000 0.519 263 K N -0.343 120.230 120.400 0.289 0.000 2.344 263 K HA 0.175 4.492 4.320 -0.005 0.000 0.200 263 K C -0.181 176.493 176.600 0.124 0.000 1.132 263 K CA 0.390 56.770 56.287 0.156 0.000 0.935 263 K CB 0.499 33.067 32.500 0.114 0.000 1.089 263 K HN 0.345 nan 8.250 nan 0.000 0.496 264 K N 1.177 121.645 120.400 0.114 0.000 2.507 264 K HA 0.393 4.710 4.320 -0.005 0.000 0.251 264 K C -1.477 175.122 176.600 -0.002 0.000 0.943 264 K CA -0.292 56.010 56.287 0.023 0.000 0.794 264 K CB 1.345 33.801 32.500 -0.073 0.000 1.188 264 K HN -0.109 nan 8.250 nan 0.000 0.428 265 L N 3.621 124.852 121.223 0.012 0.000 2.298 265 L HA 0.453 4.790 4.340 -0.005 0.000 0.284 265 L C -0.682 176.209 176.870 0.035 0.000 1.013 265 L CA -1.076 53.762 54.840 -0.003 0.000 0.824 265 L CB 1.401 43.471 42.059 0.019 0.000 1.221 265 L HN 0.489 nan 8.230 nan 0.000 0.418 266 N N 2.046 120.769 118.700 0.038 0.000 2.500 266 N HA 0.231 4.968 4.740 -0.005 0.000 0.236 266 N C -0.204 175.378 175.510 0.120 0.000 1.022 266 N CA -0.256 52.834 53.050 0.067 0.000 0.935 266 N CB 1.331 39.913 38.487 0.159 0.000 1.147 266 N HN 0.569 nan 8.380 nan 0.000 0.512 267 T N -0.221 114.345 114.554 0.021 0.000 2.845 267 T HA 0.502 4.849 4.350 -0.005 0.000 0.288 267 T C -0.483 174.232 174.700 0.025 0.000 0.980 267 T CA -0.364 61.791 62.100 0.092 0.000 1.071 267 T CB 0.505 69.385 68.868 0.018 0.000 0.941 267 T HN 0.175 nan 8.240 nan 0.000 0.487 268 Y N 0.408 120.778 120.300 0.118 0.000 2.499 268 Y HA 0.661 5.209 4.550 -0.005 0.000 0.347 268 Y C 0.289 176.275 175.900 0.144 0.000 0.987 268 Y CA -1.117 57.072 58.100 0.149 0.000 1.044 268 Y CB 2.641 41.140 38.460 0.065 0.000 1.245 268 Y HN 0.820 nan 8.280 nan 0.000 0.461 269 S N 2.498 118.411 115.700 0.355 0.000 2.546 269 S HA 0.825 5.292 4.470 -0.005 0.000 0.274 269 S C -1.210 173.633 174.600 0.405 0.000 1.121 269 S CA -0.648 57.764 58.200 0.354 0.000 0.887 269 S CB 1.801 65.262 63.200 0.435 0.000 1.094 269 S HN 0.553 nan 8.310 nan 0.000 0.474 270 I N -1.278 119.535 120.570 0.406 0.000 3.239 270 I HA 1.092 5.259 4.170 -0.005 0.000 0.314 270 I C 0.136 176.404 176.117 0.252 0.000 1.126 270 I CA -0.570 60.949 61.300 0.365 0.000 0.973 270 I CB 1.560 39.670 38.000 0.183 0.000 1.252 270 I HN 0.852 nan 8.210 nan 0.000 0.463 271 G N -0.005 108.893 108.800 0.164 0.000 2.427 271 G HA2 0.610 4.567 3.960 -0.005 0.000 0.306 271 G HA3 0.610 4.567 3.960 -0.005 0.000 0.306 271 G C -1.158 173.756 174.900 0.023 0.000 1.280 271 G CA -0.046 45.030 45.100 -0.040 0.000 0.837 271 G HN 1.107 nan 8.290 nan 0.000 0.482 272 T N -2.814 111.725 114.554 -0.026 0.000 2.773 272 T HA 0.604 4.952 4.350 -0.005 0.000 0.278 272 T C 0.644 175.350 174.700 0.009 0.000 1.011 272 T CA -0.074 62.036 62.100 0.017 0.000 1.014 272 T CB 2.065 70.944 68.868 0.018 0.000 1.293 272 T HN 0.345 nan 8.240 nan 0.000 0.554 273 E N 0.261 120.476 120.200 0.025 0.000 2.077 273 E HA -0.048 4.299 4.350 -0.005 0.000 0.193 273 E C 2.214 178.817 176.600 0.006 0.000 0.989 273 E CA 0.937 57.351 56.400 0.024 0.000 0.800 273 E CB -0.597 29.119 29.700 0.026 0.000 0.746 273 E HN 0.571 nan 8.360 nan 0.000 0.452 274 L N 0.165 121.388 121.223 -0.000 0.000 1.978 274 L HA -0.198 4.139 4.340 -0.005 0.000 0.218 274 L C 1.780 178.636 176.870 -0.023 0.000 1.075 274 L CA 1.244 56.079 54.840 -0.008 0.000 0.767 274 L CB -0.394 41.662 42.059 -0.005 0.000 0.890 274 L HN 0.022 nan 8.230 nan 0.000 0.434 275 S N -2.157 113.514 115.700 -0.048 0.000 2.694 275 S HA 0.531 4.998 4.470 -0.005 0.000 0.273 275 S C -1.851 172.643 174.600 -0.176 0.000 1.180 275 S CA -0.333 57.819 58.200 -0.080 0.000 0.864 275 S CB 1.419 64.591 63.200 -0.047 0.000 1.198 275 S HN 0.564 nan 8.310 nan 0.000 0.499 276 N N -0.170 118.394 118.700 -0.228 0.000 3.501 276 N HA 0.290 5.027 4.740 -0.005 0.000 0.235 276 N C -1.611 173.745 175.510 -0.257 0.000 1.442 276 N CA -0.663 52.130 53.050 -0.429 0.000 0.872 276 N CB 0.499 38.315 38.487 -1.118 0.000 1.414 276 N HN 0.486 nan 8.380 nan 0.000 0.485 277 E N -0.808 119.263 120.200 -0.214 0.000 2.558 277 E HA 0.329 4.676 4.350 -0.005 0.000 0.205 277 E C -0.065 176.645 176.600 0.184 0.000 1.006 277 E CA -0.340 56.139 56.400 0.132 0.000 0.961 277 E CB -0.166 29.683 29.700 0.248 0.000 1.044 277 E HN 0.460 nan 8.360 nan 0.000 0.465 278 F N 1.479 121.466 119.950 0.061 0.000 2.184 278 F HA -0.295 4.229 4.527 -0.005 0.000 0.301 278 F C 2.479 178.259 175.800 -0.033 0.000 1.076 278 F CA 0.919 58.948 58.000 0.049 0.000 1.295 278 F CB 0.009 39.038 39.000 0.049 0.000 1.026 278 F HN 0.244 nan 8.300 nan 0.000 0.494 279 E N 1.059 121.247 120.200 -0.020 0.000 2.012 279 E HA -0.240 4.107 4.350 -0.005 0.000 0.197 279 E C 2.014 178.467 176.600 -0.245 0.000 1.007 279 E CA 1.985 58.225 56.400 -0.267 0.000 0.816 279 E CB -0.318 28.991 29.700 -0.652 0.000 0.762 279 E HN 0.350 nan 8.360 nan 0.000 0.451 280 F N 0.876 120.871 119.950 0.076 0.000 2.146 280 F HA -0.111 4.413 4.527 -0.005 0.000 0.298 280 F C 2.982 178.805 175.800 0.038 0.000 1.096 280 F CA 1.049 59.079 58.000 0.051 0.000 1.275 280 F CB -1.083 37.941 39.000 0.039 0.000 1.008 280 F HN 0.065 nan 8.300 nan 0.000 0.480 281 S N -0.292 115.543 115.700 0.225 0.000 2.383 281 S HA -0.298 4.169 4.470 -0.005 0.000 0.229 281 S C 2.153 176.729 174.600 -0.041 0.000 1.030 281 S CA 1.688 59.936 58.200 0.080 0.000 1.002 281 S CB -0.329 62.945 63.200 0.124 0.000 0.829 281 S HN 0.429 nan 8.310 nan 0.000 0.467 282 Q N 0.971 120.799 119.800 0.048 0.000 2.083 282 Q HA -0.040 4.297 4.340 -0.005 0.000 0.198 282 Q C 2.158 178.186 176.000 0.046 0.000 0.969 282 Q CA 1.774 57.621 55.803 0.072 0.000 0.838 282 Q CB -0.455 28.343 28.738 0.099 0.000 0.900 282 Q HN 0.720 nan 8.270 nan 0.000 0.436 283 Q N -0.732 119.098 119.800 0.050 0.000 2.112 283 Q HA -0.151 4.186 4.340 -0.005 0.000 0.206 283 Q C 2.049 178.076 176.000 0.045 0.000 0.987 283 Q CA 1.854 57.689 55.803 0.053 0.000 0.858 283 Q CB -0.220 28.568 28.738 0.083 0.000 0.905 283 Q HN 0.278 nan 8.270 nan 0.000 0.420 284 V N 1.176 121.114 119.914 0.041 0.000 2.427 284 V HA -0.218 3.899 4.120 -0.005 0.000 0.248 284 V C 2.340 178.439 176.094 0.008 0.000 1.051 284 V CA 1.596 63.911 62.300 0.025 0.000 1.048 284 V CB -1.010 30.825 31.823 0.019 0.000 0.666 284 V HN 0.392 nan 8.190 nan 0.000 0.456 285 A N -0.053 122.759 122.820 -0.013 0.000 1.972 285 A HA -0.229 4.088 4.320 -0.005 0.000 0.219 285 A C 1.950 179.550 177.584 0.026 0.000 1.169 285 A CA 2.056 54.096 52.037 0.006 0.000 0.635 285 A CB -0.451 18.574 19.000 0.042 0.000 0.810 285 A HN 0.548 nan 8.150 nan 0.000 0.446 286 D N -0.253 120.163 120.400 0.026 0.000 2.144 286 D HA 0.103 4.740 4.640 -0.005 0.000 0.207 286 D C 2.314 178.625 176.300 0.019 0.000 0.970 286 D CA 1.386 55.397 54.000 0.019 0.000 0.853 286 D CB -0.620 40.191 40.800 0.019 0.000 1.007 286 D HN 0.346 nan 8.370 nan 0.000 0.469 287 A N 0.648 123.482 122.820 0.024 0.000 1.948 287 A HA -0.139 4.178 4.320 -0.005 0.000 0.220 287 A C 2.212 179.810 177.584 0.024 0.000 1.177 287 A CA 1.192 53.244 52.037 0.024 0.000 0.636 287 A CB -0.635 18.382 19.000 0.028 0.000 0.815 287 A HN 0.244 nan 8.150 nan 0.000 0.449 288 L N -1.951 119.288 121.223 0.027 0.000 2.513 288 L HA 0.247 4.584 4.340 -0.005 0.000 0.222 288 L C 1.494 178.387 176.870 0.038 0.000 1.096 288 L CA 0.403 55.263 54.840 0.034 0.000 0.857 288 L CB -0.223 41.859 42.059 0.039 0.000 1.026 288 L HN 0.547 nan 8.230 nan 0.000 0.469 289 G N 2.108 110.925 108.800 0.028 0.000 2.314 289 G HA2 -0.275 3.682 3.960 -0.005 0.000 0.292 289 G HA3 -0.275 3.682 3.960 -0.005 0.000 0.292 289 G C 0.354 175.279 174.900 0.042 0.000 1.059 289 G CA 0.473 45.584 45.100 0.018 0.000 0.982 289 G HN 0.404 nan 8.290 nan 0.000 0.505 290 T N -3.023 111.566 114.554 0.058 0.000 2.824 290 T HA 0.502 4.849 4.350 -0.005 0.000 0.277 290 T C 0.420 175.182 174.700 0.103 0.000 0.975 290 T CA -0.402 61.771 62.100 0.122 0.000 0.966 290 T CB 1.084 70.006 68.868 0.090 0.000 1.054 290 T HN 0.272 nan 8.240 nan 0.000 0.533 291 H N 0.322 119.386 119.070 -0.011 0.000 2.680 291 H HA 0.301 4.854 4.556 -0.005 0.000 0.224 291 H C -0.275 174.997 175.328 -0.093 0.000 1.866 291 H CA -0.279 55.739 56.048 -0.050 0.000 1.302 291 H CB -1.232 28.494 29.762 -0.060 0.000 1.709 291 H HN 0.642 nan 8.280 nan 0.000 0.537 292 H N 2.559 121.565 119.070 -0.106 0.000 2.690 292 H HA 0.201 4.754 4.556 -0.005 0.000 0.314 292 H C -0.303 174.912 175.328 -0.189 0.000 1.069 292 H CA -0.688 55.263 56.048 -0.163 0.000 1.436 292 H CB 0.592 30.293 29.762 -0.102 0.000 1.462 292 H HN 0.489 nan 8.280 nan 0.000 0.511 293 Q N 6.297 125.834 119.800 -0.438 0.000 2.292 293 Q HA 0.258 4.595 4.340 -0.005 0.000 0.270 293 Q C -0.521 175.270 176.000 -0.349 0.000 1.024 293 Q CA -1.091 54.405 55.803 -0.512 0.000 0.768 293 Q CB 1.906 30.455 28.738 -0.314 0.000 1.250 293 Q HN 0.773 nan 8.270 nan 0.000 0.447 294 M N 0.979 120.249 119.600 -0.550 0.000 2.240 294 M HA 0.417 4.895 4.480 -0.005 0.000 0.317 294 M C -0.092 176.036 176.300 -0.286 0.000 1.087 294 M CA 0.159 55.180 55.300 -0.465 0.000 1.176 294 M CB 0.383 32.267 32.600 -1.194 0.000 1.439 294 M HN 0.524 nan 8.290 nan 0.000 0.452 295 K N 2.726 123.071 120.400 -0.091 0.000 2.606 295 K HA 0.309 4.626 4.320 -0.005 0.000 0.259 295 K C -2.214 174.529 176.600 0.238 0.000 1.001 295 K CA -0.469 55.854 56.287 0.059 0.000 0.881 295 K CB 1.922 34.470 32.500 0.079 0.000 1.288 295 K HN 0.907 nan 8.250 nan 0.000 0.452 296 I N 6.047 126.752 120.570 0.225 0.000 2.474 296 I HA 0.240 4.408 4.170 -0.005 0.000 0.287 296 I C -0.550 175.656 176.117 0.147 0.000 1.048 296 I CA -0.552 60.893 61.300 0.242 0.000 1.383 296 I CB 0.530 38.655 38.000 0.208 0.000 1.412 296 I HN 0.580 nan 8.210 nan 0.000 0.531 297 L N 7.459 128.758 121.223 0.126 0.000 2.295 297 L HA 0.329 4.666 4.340 -0.005 0.000 0.285 297 L C 0.887 177.802 176.870 0.074 0.000 1.035 297 L CA -0.532 54.364 54.840 0.094 0.000 0.806 297 L CB 1.483 43.594 42.059 0.087 0.000 1.214 297 L HN 0.676 nan 8.230 nan 0.000 0.426 298 S N 0.884 116.624 115.700 0.067 0.000 2.625 298 S HA 0.092 4.559 4.470 -0.005 0.000 0.262 298 S C 0.945 175.576 174.600 0.052 0.000 1.223 298 S CA -0.382 57.851 58.200 0.056 0.000 0.993 298 S CB 0.922 64.154 63.200 0.052 0.000 1.051 298 S HN 0.668 nan 8.310 nan 0.000 0.562 299 E N 1.136 121.362 120.200 0.045 0.000 2.058 299 E HA -0.076 4.271 4.350 -0.005 0.000 0.194 299 E C 1.252 177.881 176.600 0.048 0.000 0.997 299 E CA 1.833 58.258 56.400 0.042 0.000 0.801 299 E CB -0.921 28.799 29.700 0.033 0.000 0.746 299 E HN 0.851 nan 8.360 nan 0.000 0.450 300 T N -2.541 112.043 114.554 0.051 0.000 2.801 300 T HA 0.170 4.517 4.350 -0.005 0.000 0.324 300 T C 0.720 175.459 174.700 0.064 0.000 1.088 300 T CA 0.153 62.288 62.100 0.058 0.000 0.975 300 T CB 0.640 69.544 68.868 0.060 0.000 1.316 300 T HN 0.372 nan 8.240 nan 0.000 0.533 301 E N -1.847 118.398 120.200 0.075 0.000 4.724 301 E HA -0.262 4.085 4.350 -0.005 0.000 0.169 301 E C 1.493 178.136 176.600 0.071 0.000 1.223 301 E CA 1.488 57.938 56.400 0.084 0.000 2.386 301 E CB -1.932 27.817 29.700 0.081 0.000 1.790 301 E HN 0.400 nan 8.360 nan 0.000 0.449 302 V N 0.703 120.650 119.914 0.055 0.000 2.255 302 V HA -0.174 3.943 4.120 -0.005 0.000 0.243 302 V C 2.221 178.311 176.094 -0.006 0.000 1.038 302 V CA 1.992 64.311 62.300 0.031 0.000 1.008 302 V CB -0.398 31.450 31.823 0.041 0.000 0.645 302 V HN 0.316 nan 8.190 nan 0.000 0.449 303 I N 0.792 121.369 120.570 0.012 0.000 2.567 303 I HA -0.180 3.987 4.170 -0.005 0.000 0.257 303 I C 1.914 178.054 176.117 0.038 0.000 1.184 303 I CA 1.560 62.862 61.300 0.003 0.000 1.451 303 I CB -0.544 37.491 38.000 0.059 0.000 1.089 303 I HN 0.314 nan 8.210 nan 0.000 0.441 304 N N 0.335 119.071 118.700 0.060 0.000 2.207 304 N HA -0.030 4.707 4.740 -0.005 0.000 0.182 304 N C 1.983 177.541 175.510 0.079 0.000 1.020 304 N CA 1.315 54.420 53.050 0.092 0.000 0.858 304 N CB -0.519 38.038 38.487 0.115 0.000 0.991 304 N HN 0.372 nan 8.380 nan 0.000 0.427 305 G N 0.163 108.998 108.800 0.057 0.000 2.470 305 G HA2 -0.139 3.819 3.960 -0.005 0.000 0.220 305 G HA3 -0.139 3.819 3.960 -0.005 0.000 0.220 305 G C 1.438 176.251 174.900 -0.145 0.000 1.121 305 G CA 0.516 45.636 45.100 0.032 0.000 0.766 305 G HN 0.318 nan 8.290 nan 0.000 0.553 306 I N 1.112 121.607 120.570 -0.125 0.000 2.235 306 I HA -0.044 4.123 4.170 -0.005 0.000 0.241 306 I C 2.665 178.724 176.117 -0.098 0.000 1.085 306 I CA 0.834 62.025 61.300 -0.181 0.000 1.378 306 I CB -0.192 37.638 38.000 -0.284 0.000 1.076 306 I HN 0.232 nan 8.210 nan 0.000 0.415 307 I N -1.287 119.290 120.570 0.011 0.000 2.614 307 I HA -0.159 4.008 4.170 -0.005 0.000 0.258 307 I C 2.067 178.267 176.117 0.139 0.000 1.189 307 I CA 1.402 62.777 61.300 0.125 0.000 1.462 307 I CB -0.625 37.481 38.000 0.178 0.000 1.092 307 I HN 0.254 nan 8.210 nan 0.000 0.442 308 E N 1.874 122.076 120.200 0.004 0.000 2.072 308 E HA -0.156 4.191 4.350 -0.005 0.000 0.190 308 E C 2.481 178.959 176.600 -0.203 0.000 0.982 308 E CA 1.681 58.086 56.400 0.008 0.000 0.803 308 E CB 0.004 29.869 29.700 0.274 0.000 0.755 308 E HN 0.695 nan 8.360 nan 0.000 0.453 309 S N 0.719 116.002 115.700 -0.695 0.000 2.402 309 S HA -0.109 4.358 4.470 -0.005 0.000 0.229 309 S C 2.010 176.554 174.600 -0.094 0.000 1.021 309 S CA 0.658 58.433 58.200 -0.709 0.000 0.974 309 S CB -0.394 62.396 63.200 -0.682 0.000 0.800 309 S HN 0.180 nan 8.310 nan 0.000 0.484 310 I N -0.280 120.294 120.570 0.008 0.000 2.353 310 I HA -0.070 4.097 4.170 -0.005 0.000 0.248 310 I C 2.528 178.793 176.117 0.246 0.000 1.119 310 I CA 1.451 62.873 61.300 0.202 0.000 1.417 310 I CB -0.380 37.780 38.000 0.266 0.000 1.078 310 I HN 0.298 nan 8.210 nan 0.000 0.421 311 Y N 0.942 121.209 120.300 -0.055 0.000 2.153 311 Y HA -0.250 4.297 4.550 -0.005 0.000 0.289 311 Y C 2.332 178.079 175.900 -0.255 0.000 1.127 311 Y CA 1.549 59.404 58.100 -0.408 0.000 1.131 311 Y CB -0.433 37.335 38.460 -1.153 0.000 0.995 311 Y HN 0.026 nan 8.280 nan 0.000 0.505 312 Y N -0.318 120.020 120.300 0.063 0.000 2.206 312 Y HA -0.067 4.480 4.550 -0.004 0.000 0.292 312 Y C 1.906 177.899 175.900 0.155 0.000 1.123 312 Y CA 1.494 59.657 58.100 0.104 0.000 1.142 312 Y CB -0.808 37.888 38.460 0.393 0.000 1.006 312 Y HN 0.108 nan 8.280 nan 0.000 0.518 313 N N 0.005 118.906 118.700 0.336 0.000 2.336 313 N HA 0.001 4.738 4.740 -0.005 0.000 0.189 313 N C -0.335 175.267 175.510 0.153 0.000 1.113 313 N CA 0.321 53.497 53.050 0.211 0.000 0.858 313 N CB -0.237 38.390 38.487 0.233 0.000 0.970 313 N HN 0.220 nan 8.380 nan 0.000 0.471 314 E N 0.002 120.312 120.200 0.182 0.000 2.403 314 E HA -0.234 4.114 4.350 -0.005 0.000 0.241 314 E C -0.637 176.242 176.600 0.466 0.000 1.201 314 E CA 0.348 56.947 56.400 0.333 0.000 0.721 314 E CB -1.660 28.196 29.700 0.261 0.000 1.245 314 E HN 0.492 nan 8.360 nan 0.000 0.392 315 I N 0.765 121.486 120.570 0.252 0.000 2.474 315 I HA 0.057 4.224 4.170 -0.005 0.000 0.287 315 I C 1.229 177.375 176.117 0.048 0.000 1.048 315 I CA -0.097 61.214 61.300 0.018 0.000 1.383 315 I CB 0.220 38.194 38.000 -0.044 0.000 1.412 315 I HN 0.112 nan 8.210 nan 0.000 0.531 316 F N 1.504 121.391 119.950 -0.104 0.000 2.746 316 F HA 0.371 4.896 4.527 -0.003 0.000 0.320 316 F C 0.291 176.085 175.800 -0.010 0.000 1.097 316 F CA -0.982 56.872 58.000 -0.244 0.000 1.195 316 F CB -0.419 38.050 39.000 -0.886 0.000 1.056 316 F HN 0.278 nan 8.300 nan 0.000 0.562 317 D N 1.413 121.717 120.400 -0.160 0.000 2.317 317 D HA 0.367 5.004 4.640 -0.005 0.000 0.252 317 D C 1.630 178.008 176.300 0.130 0.000 1.174 317 D CA 0.377 54.416 54.000 0.066 0.000 0.866 317 D CB 1.768 42.559 40.800 -0.014 0.000 1.127 317 D HN 0.205 nan 8.370 nan 0.000 0.467 318 G N 3.949 112.899 108.800 0.249 0.000 2.586 318 G HA2 -0.273 3.685 3.960 -0.005 0.000 0.218 318 G HA3 -0.273 3.685 3.960 -0.005 0.000 0.218 318 G C 1.374 176.494 174.900 0.367 0.000 1.216 318 G CA 0.452 45.768 45.100 0.361 0.000 0.786 318 G HN 0.551 nan 8.290 nan 0.000 0.583 319 L N 1.041 122.447 121.223 0.306 0.000 2.012 319 L HA -0.107 4.230 4.340 -0.005 0.000 0.210 319 L C 2.859 179.737 176.870 0.014 0.000 1.073 319 L CA 2.664 57.596 54.840 0.153 0.000 0.748 319 L CB -1.118 40.867 42.059 -0.122 0.000 0.891 319 L HN 0.268 nan 8.230 nan 0.000 0.431 320 S N 0.416 116.085 115.700 -0.052 0.000 2.359 320 S HA -0.231 4.236 4.470 -0.005 0.000 0.222 320 S C 2.132 176.680 174.600 -0.085 0.000 1.038 320 S CA 1.556 59.677 58.200 -0.132 0.000 1.051 320 S CB -0.577 62.498 63.200 -0.208 0.000 0.944 320 S HN 0.682 nan 8.310 nan 0.000 0.433 321 A N 1.329 124.127 122.820 -0.037 0.000 1.892 321 A HA -0.240 4.077 4.320 -0.005 0.000 0.218 321 A C 2.074 179.604 177.584 -0.089 0.000 1.188 321 A CA 2.031 54.033 52.037 -0.059 0.000 0.631 321 A CB -0.841 18.152 19.000 -0.012 0.000 0.822 321 A HN 0.637 nan 8.150 nan 0.000 0.447 322 E N -0.793 119.397 120.200 -0.017 0.000 2.118 322 E HA -0.214 4.133 4.350 -0.005 0.000 0.195 322 E C 1.721 178.304 176.600 -0.029 0.000 0.992 322 E CA 1.498 57.895 56.400 -0.005 0.000 0.804 322 E CB -0.177 29.712 29.700 0.316 0.000 0.741 322 E HN 0.523 nan 8.360 nan 0.000 0.458 323 I N 1.190 121.701 120.570 -0.098 0.000 2.286 323 I HA -0.224 3.943 4.170 -0.005 0.000 0.245 323 I C 2.355 178.454 176.117 -0.030 0.000 1.104 323 I CA 1.067 62.278 61.300 -0.148 0.000 1.397 323 I CB -0.362 37.498 38.000 -0.232 0.000 1.072 323 I HN 0.081 nan 8.210 nan 0.000 0.417 324 Q N -0.352 119.438 119.800 -0.017 0.000 2.364 324 Q HA -0.118 4.219 4.340 -0.005 0.000 0.207 324 Q C 2.398 178.446 176.000 0.080 0.000 0.970 324 Q CA 1.057 56.904 55.803 0.073 0.000 0.888 324 Q CB -0.617 28.159 28.738 0.064 0.000 0.951 324 Q HN 0.477 nan 8.270 nan 0.000 0.469 325 S N 0.188 115.873 115.700 -0.025 0.000 2.370 325 S HA -0.148 4.319 4.470 -0.005 0.000 0.226 325 S C 1.896 176.517 174.600 0.034 0.000 1.033 325 S CA 1.556 59.739 58.200 -0.029 0.000 1.011 325 S CB -0.262 62.893 63.200 -0.075 0.000 0.852 325 S HN 0.559 nan 8.310 nan 0.000 0.457 326 G N 1.257 110.073 108.800 0.027 0.000 2.402 326 G HA2 -0.044 3.913 3.960 -0.005 0.000 0.216 326 G HA3 -0.044 3.913 3.960 -0.005 0.000 0.216 326 G C 1.435 176.300 174.900 -0.057 0.000 1.162 326 G CA 0.761 45.870 45.100 0.014 0.000 0.777 326 G HN 0.512 nan 8.290 nan 0.000 0.539 327 L N -0.735 120.437 121.223 -0.085 0.000 2.012 327 L HA -0.030 4.307 4.340 -0.005 0.000 0.210 327 L C 2.726 179.086 176.870 -0.851 0.000 1.073 327 L CA 1.024 55.636 54.840 -0.381 0.000 0.748 327 L CB -0.534 41.387 42.059 -0.231 0.000 0.891 327 L HN 0.152 nan 8.230 nan 0.000 0.431 328 F N 0.328 119.947 119.950 -0.552 0.000 2.126 328 F HA -0.235 4.289 4.527 -0.005 0.000 0.299 328 F C 2.556 178.147 175.800 -0.348 0.000 1.096 328 F CA 1.285 59.070 58.000 -0.359 0.000 1.255 328 F CB -0.369 38.665 39.000 0.056 0.000 0.997 328 F HN 0.177 nan 8.300 nan 0.000 0.479 329 N N 0.160 118.837 118.700 -0.039 0.000 2.289 329 N HA -0.130 4.607 4.740 -0.005 0.000 0.184 329 N C 1.903 177.334 175.510 -0.130 0.000 1.016 329 N CA 1.174 54.205 53.050 -0.031 0.000 0.872 329 N CB -0.230 38.276 38.487 0.032 0.000 0.973 329 N HN 0.147 nan 8.380 nan 0.000 0.433 330 V N 0.755 120.511 119.914 -0.263 0.000 2.548 330 V HA -0.166 3.951 4.120 -0.005 0.000 0.249 330 V C 1.721 177.596 176.094 -0.365 0.000 1.055 330 V CA 1.086 63.227 62.300 -0.264 0.000 1.065 330 V CB -0.660 30.993 31.823 -0.283 0.000 0.681 330 V HN 0.164 nan 8.190 nan 0.000 0.462 331 Y N 0.647 120.670 120.300 -0.460 0.000 2.114 331 Y HA -0.165 4.382 4.550 -0.005 0.000 0.284 331 Y C 2.664 178.168 175.900 -0.660 0.000 1.143 331 Y CA 1.462 59.148 58.100 -0.690 0.000 1.135 331 Y CB -0.887 36.911 38.460 -1.103 0.000 0.980 331 Y HN 0.106 nan 8.280 nan 0.000 0.499 332 R N 0.263 120.444 120.500 -0.531 0.000 2.127 332 R HA -0.186 4.151 4.340 -0.005 0.000 0.238 332 R C 1.860 178.168 176.300 0.014 0.000 1.134 332 R CA 1.450 57.492 56.100 -0.096 0.000 0.975 332 R CB -0.024 30.328 30.300 0.087 0.000 0.865 332 R HN 0.358 nan 8.270 nan 0.000 0.447 333 Q N -1.006 118.773 119.800 -0.035 0.000 2.378 333 Q HA -0.016 4.321 4.340 -0.005 0.000 0.205 333 Q C 1.367 177.415 176.000 0.079 0.000 0.954 333 Q CA 1.238 57.084 55.803 0.072 0.000 0.901 333 Q CB 0.573 29.398 28.738 0.144 0.000 0.981 333 Q HN 0.424 nan 8.270 nan 0.000 0.483 334 A N 0.162 122.876 122.820 -0.177 0.000 2.288 334 A HA 0.026 4.343 4.320 -0.005 0.000 0.216 334 A C 0.970 178.517 177.584 -0.061 0.000 1.199 334 A CA -0.275 51.592 52.037 -0.284 0.000 0.891 334 A CB 0.113 18.589 19.000 -0.874 0.000 0.923 334 A HN 0.273 nan 8.150 nan 0.000 0.500 335 Q N 0.038 119.846 119.800 0.013 0.000 2.320 335 Q HA 0.284 4.621 4.340 -0.005 0.000 0.311 335 Q C 1.164 177.214 176.000 0.084 0.000 1.083 335 Q CA 1.270 57.134 55.803 0.102 0.000 1.001 335 Q CB -0.079 28.814 28.738 0.259 0.000 1.074 335 Q HN 1.006 nan 8.270 nan 0.000 0.379 336 G N 3.057 111.896 108.800 0.064 0.000 2.284 336 G HA2 -0.334 3.623 3.960 -0.005 0.000 0.230 336 G HA3 -0.334 3.623 3.960 -0.005 0.000 0.230 336 G C 0.731 175.670 174.900 0.064 0.000 1.021 336 G CA 0.483 45.619 45.100 0.061 0.000 0.619 336 G HN 0.669 nan 8.290 nan 0.000 0.510 337 Q N -0.244 119.601 119.800 0.076 0.000 2.259 337 Q HA 0.430 4.767 4.340 -0.005 0.000 0.201 337 Q C 1.266 177.313 176.000 0.078 0.000 0.938 337 Q CA 1.439 57.300 55.803 0.097 0.000 0.872 337 Q CB 0.741 29.587 28.738 0.181 0.000 0.971 337 Q HN 1.072 nan 8.270 nan 0.000 0.494 338 V N -3.566 116.372 119.914 0.040 0.000 3.040 338 V HA 0.506 4.623 4.120 -0.005 0.000 0.312 338 V C -0.013 176.070 176.094 -0.019 0.000 1.115 338 V CA -0.719 61.584 62.300 0.006 0.000 0.998 338 V CB 2.228 34.028 31.823 -0.038 0.000 1.042 338 V HN -0.080 nan 8.190 nan 0.000 0.433 339 S N 0.352 116.044 115.700 -0.013 0.000 2.578 339 S HA 0.328 4.795 4.470 -0.005 0.000 0.228 339 S C 0.077 174.547 174.600 -0.215 0.000 1.022 339 S CA 0.431 58.633 58.200 0.003 0.000 0.967 339 S CB 0.373 63.719 63.200 0.244 0.000 0.914 339 S HN 1.074 nan 8.310 nan 0.000 0.515 340 C N 2.013 121.074 119.300 -0.398 0.000 2.782 340 C HA 0.748 5.205 4.460 -0.005 0.000 0.328 340 C C -1.553 173.194 174.990 -0.404 0.000 1.145 340 C CA -0.702 57.959 59.018 -0.595 0.000 1.358 340 C CB 0.706 27.702 27.740 -1.240 0.000 1.841 340 C HN 0.399 nan 8.230 nan 0.000 0.477 341 M N 5.763 125.156 119.600 -0.344 0.000 2.457 341 M HA 0.559 5.036 4.480 -0.005 0.000 0.300 341 M C -1.200 174.964 176.300 -0.227 0.000 1.141 341 M CA -0.419 54.735 55.300 -0.244 0.000 0.901 341 M CB 1.973 34.480 32.600 -0.154 0.000 1.687 341 M HN 0.467 nan 8.290 nan 0.000 0.449 342 L N 1.498 122.626 121.223 -0.158 0.000 2.334 342 L HA 0.846 5.183 4.340 -0.005 0.000 0.273 342 L C 0.125 177.014 176.870 0.032 0.000 1.013 342 L CA -0.631 54.160 54.840 -0.082 0.000 0.816 342 L CB 2.106 44.124 42.059 -0.068 0.000 1.278 342 L HN 0.800 nan 8.230 nan 0.000 0.431 343 T N -2.431 112.212 114.554 0.148 0.000 2.841 343 T HA 0.499 4.846 4.350 -0.005 0.000 0.296 343 T C 0.291 175.209 174.700 0.365 0.000 1.166 343 T CA -0.261 61.994 62.100 0.259 0.000 1.007 343 T CB 1.840 70.936 68.868 0.381 0.000 1.253 343 T HN 0.632 nan 8.240 nan 0.000 0.511 344 G N -0.138 108.839 108.800 0.295 0.000 3.523 344 G HA2 0.234 4.191 3.960 -0.005 0.000 0.270 344 G HA3 0.234 4.191 3.960 -0.005 0.000 0.270 344 G C -0.257 174.695 174.900 0.087 0.000 1.134 344 G CA -0.422 44.819 45.100 0.235 0.000 0.825 344 G HN 0.699 nan 8.290 nan 0.000 0.534 345 Y N 0.989 121.355 120.300 0.110 0.000 2.620 345 Y HA 0.335 4.882 4.550 -0.005 0.000 0.330 345 Y C 1.535 177.422 175.900 -0.022 0.000 1.186 345 Y CA 1.401 59.478 58.100 -0.037 0.000 1.467 345 Y CB 1.028 39.394 38.460 -0.157 0.000 1.262 345 Y HN 0.308 nan 8.280 nan 0.000 0.550 346 G N 2.456 111.163 108.800 -0.155 0.000 2.253 346 G HA2 -0.393 3.564 3.960 -0.005 0.000 0.251 346 G HA3 -0.393 3.564 3.960 -0.005 0.000 0.251 346 G C 1.443 176.457 174.900 0.191 0.000 0.998 346 G CA 0.841 45.970 45.100 0.049 0.000 0.621 346 G HN 0.857 nan 8.290 nan 0.000 0.524 347 S N 0.335 115.970 115.700 -0.107 0.000 2.383 347 S HA -0.136 4.331 4.470 -0.005 0.000 0.229 347 S C 1.919 176.522 174.600 0.005 0.000 1.030 347 S CA 2.123 60.152 58.200 -0.286 0.000 1.002 347 S CB -0.326 62.178 63.200 -1.160 0.000 0.829 347 S HN 0.497 nan 8.310 nan 0.000 0.467 348 D N 1.037 121.398 120.400 -0.065 0.000 2.218 348 D HA -0.022 4.615 4.640 -0.005 0.000 0.204 348 D C 1.747 178.067 176.300 0.034 0.000 0.976 348 D CA 0.839 54.830 54.000 -0.015 0.000 0.853 348 D CB -0.225 40.526 40.800 -0.081 0.000 0.939 348 D HN 0.455 nan 8.370 nan 0.000 0.481 349 L N -0.106 121.159 121.223 0.070 0.000 2.395 349 L HA 0.025 4.362 4.340 -0.005 0.000 0.218 349 L C 2.154 179.079 176.870 0.092 0.000 1.130 349 L CA 0.296 55.201 54.840 0.108 0.000 0.826 349 L CB -0.035 42.157 42.059 0.222 0.000 0.941 349 L HN 0.003 nan 8.230 nan 0.000 0.451 350 L N -2.063 119.202 121.223 0.069 0.000 2.286 350 L HA 0.076 4.413 4.340 -0.005 0.000 0.203 350 L C 1.495 178.181 176.870 -0.307 0.000 1.068 350 L CA 0.543 55.296 54.840 -0.145 0.000 0.811 350 L CB -0.082 41.846 42.059 -0.217 0.000 0.989 350 L HN 0.076 nan 8.230 nan 0.000 0.467 351 F N 0.137 120.125 119.950 0.064 0.000 2.664 351 F HA 0.347 4.871 4.527 -0.005 0.000 0.303 351 F C 1.561 177.383 175.800 0.036 0.000 1.092 351 F CA 0.397 58.432 58.000 0.059 0.000 1.305 351 F CB 0.314 39.355 39.000 0.068 0.000 1.054 351 F HN 0.139 nan 8.300 nan 0.000 0.565 352 G N 0.139 109.010 108.800 0.118 0.000 2.141 352 G HA2 -0.274 3.684 3.960 -0.005 0.000 0.242 352 G HA3 -0.274 3.684 3.960 -0.005 0.000 0.242 352 G C 1.486 176.412 174.900 0.043 0.000 0.982 352 G CA 0.136 45.265 45.100 0.050 0.000 0.662 352 G HN 0.610 nan 8.290 nan 0.000 0.527 353 G N 0.142 108.978 108.800 0.060 0.000 2.527 353 G HA2 0.019 3.977 3.960 -0.005 0.000 0.219 353 G HA3 0.019 3.977 3.960 -0.005 0.000 0.219 353 G C 1.531 176.428 174.900 -0.004 0.000 1.117 353 G CA 1.226 46.340 45.100 0.023 0.000 0.759 353 G HN 0.909 nan 8.290 nan 0.000 0.556 354 I N 0.094 120.654 120.570 -0.017 0.000 3.419 354 I HA 0.290 4.457 4.170 -0.005 0.000 0.286 354 I C 0.480 176.583 176.117 -0.024 0.000 1.268 354 I CA -0.198 61.086 61.300 -0.027 0.000 1.414 354 I CB 0.106 38.082 38.000 -0.039 0.000 1.074 354 I HN -0.058 nan 8.210 nan 0.000 0.457 355 L N 1.653 122.851 121.223 -0.041 0.000 2.417 355 L HA 0.150 4.487 4.340 -0.005 0.000 0.268 355 L C 0.230 177.159 176.870 0.098 0.000 1.158 355 L CA -0.478 54.334 54.840 -0.046 0.000 0.819 355 L CB 0.342 42.292 42.059 -0.182 0.000 1.112 355 L HN -0.035 nan 8.230 nan 0.000 0.458 356 K N 4.148 124.689 120.400 0.236 0.000 2.349 356 K HA 0.233 4.551 4.320 -0.005 0.000 0.289 356 K C -2.447 174.264 176.600 0.184 0.000 1.064 356 K CA -1.535 54.864 56.287 0.187 0.000 0.947 356 K CB 0.642 33.247 32.500 0.175 0.000 1.007 356 K HN 0.076 nan 8.250 nan 0.000 0.478 357 P HA 0.064 nan 4.420 nan 0.000 0.265 357 P C 0.445 177.792 177.300 0.078 0.000 1.193 357 P CA 0.822 63.985 63.100 0.104 0.000 0.765 357 P CB 0.799 32.547 31.700 0.080 0.000 0.823 358 G N 1.591 110.433 108.800 0.070 0.000 2.267 358 G HA2 -0.252 3.705 3.960 -0.005 0.000 0.257 358 G HA3 -0.252 3.705 3.960 -0.005 0.000 0.257 358 G C 0.530 175.435 174.900 0.007 0.000 0.998 358 G CA 0.133 45.246 45.100 0.023 0.000 0.620 358 G HN 0.866 nan 8.290 nan 0.000 0.529 359 A N -0.345 122.490 122.820 0.024 0.000 2.366 359 A HA 0.692 5.009 4.320 -0.005 0.000 0.249 359 A C 0.374 177.873 177.584 -0.143 0.000 1.084 359 A CA 0.907 52.883 52.037 -0.101 0.000 0.794 359 A CB 0.663 19.548 19.000 -0.191 0.000 1.034 359 A HN 0.850 nan 8.150 nan 0.000 0.491 360 Q N -0.050 119.583 119.800 -0.279 0.000 2.293 360 Q HA 0.580 4.917 4.340 -0.005 0.000 0.261 360 Q C -2.096 173.673 176.000 -0.386 0.000 0.960 360 Q CA 0.116 55.806 55.803 -0.189 0.000 0.882 360 Q CB 0.763 29.438 28.738 -0.106 0.000 1.275 360 Q HN 0.559 nan 8.270 nan 0.000 0.445 361 Y N 1.973 122.285 120.300 0.020 0.000 2.391 361 Y HA 0.280 4.827 4.550 -0.005 0.000 0.341 361 Y C 0.532 176.438 175.900 0.009 0.000 0.965 361 Y CA -0.817 57.291 58.100 0.013 0.000 1.067 361 Y CB 2.057 40.527 38.460 0.016 0.000 1.199 361 Y HN 0.684 nan 8.280 nan 0.000 0.450 362 D N 0.996 121.476 120.400 0.132 0.000 2.183 362 D HA -0.112 4.526 4.640 -0.005 0.000 0.203 362 D C 0.225 176.565 176.300 0.067 0.000 0.969 362 D CA 1.506 55.550 54.000 0.074 0.000 0.842 362 D CB 0.329 41.155 40.800 0.043 0.000 0.957 362 D HN 0.379 nan 8.370 nan 0.000 0.484 363 N N -0.506 118.246 118.700 0.086 0.000 2.732 363 N HA 0.068 4.805 4.740 -0.005 0.000 0.235 363 N C -2.205 173.311 175.510 0.011 0.000 1.466 363 N CA -1.150 51.917 53.050 0.028 0.000 0.751 363 N CB 1.246 39.736 38.487 0.005 0.000 1.317 363 N HN -0.193 nan 8.380 nan 0.000 0.525 364 P HA -0.091 nan 4.420 nan 0.000 0.218 364 P C 0.704 177.925 177.300 -0.132 0.000 1.148 364 P CA 0.989 64.009 63.100 -0.133 0.000 0.822 364 P CB 0.567 32.179 31.700 -0.147 0.000 0.784 365 N N 0.087 118.723 118.700 -0.107 0.000 2.244 365 N HA -0.140 4.597 4.740 -0.005 0.000 0.183 365 N C 2.026 177.460 175.510 -0.128 0.000 1.016 365 N CA 0.860 53.830 53.050 -0.134 0.000 0.866 365 N CB -0.679 37.700 38.487 -0.180 0.000 0.980 365 N HN 0.350 nan 8.380 nan 0.000 0.430 366 Q N 0.166 119.907 119.800 -0.097 0.000 2.084 366 Q HA -0.075 4.262 4.340 -0.005 0.000 0.202 366 Q C 1.591 177.569 176.000 -0.037 0.000 0.978 366 Q CA 1.016 56.781 55.803 -0.064 0.000 0.844 366 Q CB 0.066 28.780 28.738 -0.041 0.000 0.898 366 Q HN 0.133 nan 8.270 nan 0.000 0.426 367 L N 0.252 121.448 121.223 -0.044 0.000 2.056 367 L HA -0.184 4.153 4.340 -0.005 0.000 0.207 367 L C 2.202 179.057 176.870 -0.026 0.000 1.078 367 L CA 1.406 56.226 54.840 -0.033 0.000 0.749 367 L CB -0.681 41.341 42.059 -0.061 0.000 0.901 367 L HN 0.271 nan 8.230 nan 0.000 0.433 368 L N -1.018 120.176 121.223 -0.049 0.000 2.017 368 L HA -0.226 4.111 4.340 -0.005 0.000 0.208 368 L C 2.743 179.639 176.870 0.043 0.000 1.073 368 L CA 1.274 56.105 54.840 -0.016 0.000 0.745 368 L CB -0.937 41.096 42.059 -0.044 0.000 0.894 368 L HN 0.289 nan 8.230 nan 0.000 0.432 369 A N 0.013 122.853 122.820 0.034 0.000 1.917 369 A HA -0.274 4.043 4.320 -0.005 0.000 0.219 369 A C 2.163 179.834 177.584 0.145 0.000 1.182 369 A CA 2.050 54.154 52.037 0.112 0.000 0.633 369 A CB -0.576 18.488 19.000 0.107 0.000 0.819 369 A HN 0.471 nan 8.150 nan 0.000 0.448 370 E N -0.839 119.414 120.200 0.089 0.000 2.118 370 E HA -0.210 4.137 4.350 -0.005 0.000 0.195 370 E C 2.371 179.071 176.600 0.166 0.000 0.992 370 E CA 1.261 57.718 56.400 0.096 0.000 0.804 370 E CB -0.087 29.638 29.700 0.041 0.000 0.741 370 E HN 0.568 nan 8.360 nan 0.000 0.458 371 Q N 0.118 119.994 119.800 0.126 0.000 2.046 371 Q HA -0.114 4.223 4.340 -0.005 0.000 0.200 371 Q C 2.489 178.601 176.000 0.187 0.000 0.975 371 Q CA 0.895 56.767 55.803 0.115 0.000 0.836 371 Q CB -0.508 28.269 28.738 0.065 0.000 0.896 371 Q HN 0.214 nan 8.270 nan 0.000 0.428 372 V N 0.813 120.882 119.914 0.258 0.000 2.250 372 V HA -0.308 3.809 4.120 -0.005 0.000 0.250 372 V C 2.173 178.487 176.094 0.368 0.000 1.060 372 V CA 2.236 64.783 62.300 0.411 0.000 1.030 372 V CB -0.844 31.147 31.823 0.281 0.000 0.643 372 V HN 0.328 nan 8.190 nan 0.000 0.445 373 Y N 1.061 121.458 120.300 0.161 0.000 2.181 373 Y HA -0.261 4.286 4.550 -0.005 0.000 0.288 373 Y C 2.763 178.726 175.900 0.105 0.000 1.146 373 Y CA 2.207 60.387 58.100 0.133 0.000 1.164 373 Y CB -0.371 38.162 38.460 0.122 0.000 0.982 373 Y HN 0.098 nan 8.280 nan 0.000 0.515 374 R N -0.067 120.625 120.500 0.320 0.000 2.133 374 R HA -0.196 4.141 4.340 -0.005 0.000 0.247 374 R C 2.038 178.052 176.300 -0.477 0.000 1.151 374 R CA 2.116 58.255 56.100 0.065 0.000 0.971 374 R CB -0.711 29.624 30.300 0.058 0.000 0.866 374 R HN 0.558 nan 8.270 nan 0.000 0.447 375 T N -2.261 112.149 114.554 -0.240 0.000 3.155 375 T HA -0.038 4.309 4.350 -0.005 0.000 0.264 375 T C 1.531 176.093 174.700 -0.230 0.000 1.160 375 T CA 0.738 62.672 62.100 -0.277 0.000 1.075 375 T CB -0.219 68.649 68.868 -0.000 0.000 0.921 375 T HN 0.363 nan 8.240 nan 0.000 0.533 376 R N 0.026 120.369 120.500 -0.261 0.000 2.193 376 R HA 0.132 4.469 4.340 -0.005 0.000 0.213 376 R C 1.988 178.247 176.300 -0.068 0.000 1.055 376 R CA 1.349 57.349 56.100 -0.167 0.000 0.995 376 R CB -0.086 30.055 30.300 -0.265 0.000 0.893 376 R HN 0.808 nan 8.270 nan 0.000 0.459 377 W N -0.573 120.710 121.300 -0.029 0.000 2.871 377 W HA 0.186 4.845 4.660 -0.003 0.000 0.340 377 W C 0.963 177.464 176.519 -0.030 0.000 1.058 377 W CA 0.521 57.883 57.345 0.028 0.000 1.633 377 W CB -0.472 29.065 29.460 0.129 0.000 1.067 377 W HN -0.090 nan 8.180 nan 0.000 0.554 378 T N -0.719 113.478 114.554 -0.595 0.000 2.701 378 T HA 0.133 4.480 4.350 -0.005 0.000 0.263 378 T C 1.917 176.427 174.700 -0.316 0.000 1.040 378 T CA 2.585 64.312 62.100 -0.622 0.000 1.147 378 T CB -0.876 67.512 68.868 -0.800 0.000 0.865 378 T HN 0.543 nan 8.240 nan 0.000 0.426 379 G N 0.494 109.165 108.800 -0.215 0.000 2.205 379 G HA2 -0.183 3.775 3.960 -0.005 0.000 0.180 379 G HA3 -0.183 3.775 3.960 -0.005 0.000 0.180 379 G C 0.602 175.422 174.900 -0.132 0.000 1.004 379 G CA 0.434 45.476 45.100 -0.097 0.000 0.670 379 G HN 0.544 nan 8.290 nan 0.000 0.496 380 E N -0.320 119.704 120.200 -0.294 0.000 2.049 380 E HA -0.082 4.265 4.350 -0.005 0.000 0.198 380 E C 1.516 177.826 176.600 -0.484 0.000 1.007 380 E CA 1.493 57.611 56.400 -0.469 0.000 0.809 380 E CB -0.184 29.046 29.700 -0.784 0.000 0.749 380 E HN 0.517 nan 8.360 nan 0.000 0.450 381 F N 0.777 120.616 119.950 -0.186 0.000 2.816 381 F HA 0.181 4.705 4.527 -0.005 0.000 0.302 381 F C 0.941 176.858 175.800 0.195 0.000 1.178 381 F CA -0.131 57.879 58.000 0.018 0.000 1.421 381 F CB -0.429 38.606 39.000 0.058 0.000 1.114 381 F HN -0.132 nan 8.300 nan 0.000 0.573 382 A N 0.336 123.270 122.820 0.190 0.000 2.531 382 A HA 0.249 4.566 4.320 -0.005 0.000 0.236 382 A C 1.441 179.122 177.584 0.162 0.000 1.062 382 A CA 0.650 52.760 52.037 0.120 0.000 0.760 382 A CB -0.049 18.950 19.000 -0.000 0.000 0.995 382 A HN 0.396 nan 8.150 nan 0.000 0.501 383 T N -1.224 113.428 114.554 0.163 0.000 3.022 383 T HA 0.082 4.429 4.350 -0.005 0.000 0.250 383 T C 1.242 176.057 174.700 0.192 0.000 1.060 383 T CA 0.968 63.165 62.100 0.161 0.000 1.013 383 T CB -0.528 68.450 68.868 0.183 0.000 0.982 383 T HN 0.793 nan 8.240 nan 0.000 0.508 384 H N 1.302 120.433 119.070 0.102 0.000 2.357 384 H HA -0.056 4.497 4.556 -0.005 0.000 0.296 384 H C 2.602 177.939 175.328 0.015 0.000 1.108 384 H CA 0.761 56.856 56.048 0.077 0.000 1.273 384 H CB -0.358 29.480 29.762 0.126 0.000 1.367 384 H HN 0.525 nan 8.280 nan 0.000 0.498 385 G N 0.802 109.732 108.800 0.217 0.000 2.552 385 G HA2 -0.271 3.686 3.960 -0.005 0.000 0.216 385 G HA3 -0.271 3.686 3.960 -0.005 0.000 0.216 385 G C 1.961 176.641 174.900 -0.366 0.000 1.240 385 G CA 1.005 46.131 45.100 0.042 0.000 0.796 385 G HN 0.479 nan 8.290 nan 0.000 0.568 386 A N 0.229 122.677 122.820 -0.620 0.000 2.024 386 A HA -0.045 4.272 4.320 -0.005 0.000 0.220 386 A C 2.611 179.932 177.584 -0.439 0.000 1.164 386 A CA 2.391 53.847 52.037 -0.969 0.000 0.643 386 A CB -0.773 17.555 19.000 -1.119 0.000 0.806 386 A HN 0.485 nan 8.150 nan 0.000 0.451 387 S N -0.863 114.690 115.700 -0.245 0.000 2.351 387 S HA -0.230 4.237 4.470 -0.005 0.000 0.220 387 S C 1.953 176.461 174.600 -0.153 0.000 1.035 387 S CA 1.739 59.860 58.200 -0.132 0.000 1.031 387 S CB -0.905 62.270 63.200 -0.042 0.000 0.928 387 S HN 0.680 nan 8.310 nan 0.000 0.433 388 C N 0.428 119.594 119.300 -0.223 0.000 2.403 388 C HA -0.055 4.402 4.460 -0.005 0.000 0.282 388 C C 1.918 176.712 174.990 -0.327 0.000 1.297 388 C CA 0.479 59.319 59.018 -0.298 0.000 1.785 388 C CB -1.858 25.580 27.740 -0.502 0.000 1.963 388 C HN 0.703 nan 8.230 nan 0.000 0.507 389 Y N 0.487 120.623 120.300 -0.274 0.000 2.470 389 Y HA 0.274 4.821 4.550 -0.005 0.000 0.302 389 Y C 1.823 177.624 175.900 -0.166 0.000 1.194 389 Y CA 0.604 58.581 58.100 -0.205 0.000 1.271 389 Y CB -0.671 37.639 38.460 -0.249 0.000 1.092 389 Y HN 0.395 nan 8.280 nan 0.000 0.513 390 G N 1.169 109.941 108.800 -0.047 0.000 2.225 390 G HA2 -0.308 3.649 3.960 -0.005 0.000 0.267 390 G HA3 -0.308 3.649 3.960 -0.005 0.000 0.267 390 G C -0.122 174.753 174.900 -0.041 0.000 1.024 390 G CA 0.312 45.397 45.100 -0.025 0.000 0.784 390 G HN 0.392 nan 8.290 nan 0.000 0.507 391 I N 0.065 120.564 120.570 -0.118 0.000 2.436 391 I HA 0.282 4.449 4.170 -0.005 0.000 0.289 391 I C -0.661 175.322 176.117 -0.223 0.000 1.010 391 I CA -0.899 60.282 61.300 -0.197 0.000 1.098 391 I CB 1.897 39.703 38.000 -0.323 0.000 1.266 391 I HN -0.027 nan 8.210 nan 0.000 0.434 392 D N 7.143 127.417 120.400 -0.209 0.000 2.441 392 D HA 0.181 4.818 4.640 -0.005 0.000 0.221 392 D C -0.482 175.632 176.300 -0.309 0.000 1.156 392 D CA -0.455 53.424 54.000 -0.202 0.000 0.896 392 D CB 0.756 41.452 40.800 -0.174 0.000 1.028 392 D HN 0.224 nan 8.370 nan 0.000 0.509 393 I N 3.504 123.887 120.570 -0.311 0.000 2.556 393 I HA 0.180 4.347 4.170 -0.005 0.000 0.284 393 I C -0.122 175.699 176.117 -0.494 0.000 1.114 393 I CA 0.109 61.189 61.300 -0.366 0.000 1.418 393 I CB 0.352 38.163 38.000 -0.315 0.000 1.394 393 I HN 0.227 nan 8.210 nan 0.000 0.552 394 R N 5.231 125.399 120.500 -0.554 0.000 2.686 394 R HA 0.527 4.864 4.340 -0.005 0.000 0.283 394 R C -1.363 174.636 176.300 -0.502 0.000 0.978 394 R CA -0.614 55.131 56.100 -0.591 0.000 0.897 394 R CB 1.167 31.189 30.300 -0.463 0.000 1.192 394 R HN 0.541 nan 8.270 nan 0.000 0.457 395 H N 4.096 123.167 119.070 0.001 0.000 2.530 395 H HA 0.218 4.771 4.556 -0.005 0.000 0.246 395 H C -1.988 173.495 175.328 0.257 0.000 1.346 395 H CA -2.104 54.077 56.048 0.222 0.000 1.424 395 H CB 1.309 31.305 29.762 0.390 0.000 1.445 395 H HN 0.383 nan 8.280 nan 0.000 0.511 396 P HA -0.210 nan 4.420 nan 0.000 0.218 396 P C 1.266 178.672 177.300 0.177 0.000 1.152 396 P CA 1.370 64.560 63.100 0.150 0.000 0.857 396 P CB 0.031 31.778 31.700 0.078 0.000 0.787 397 F N -3.095 117.037 119.950 0.305 0.000 2.259 397 F HA -0.043 4.481 4.527 -0.005 0.000 0.298 397 F C 1.652 177.652 175.800 0.334 0.000 1.088 397 F CA 0.619 58.816 58.000 0.329 0.000 1.358 397 F CB -0.600 38.647 39.000 0.411 0.000 1.040 397 F HN 0.001 nan 8.300 nan 0.000 0.505 398 W N 3.073 124.551 121.300 0.296 0.000 1.395 398 W HA 0.198 4.855 4.660 -0.005 0.000 0.451 398 W C 0.267 176.821 176.519 0.058 0.000 0.619 398 W CA -0.210 57.209 57.345 0.123 0.000 2.212 398 W CB -0.284 29.178 29.460 0.004 0.000 1.537 398 W HN -0.100 nan 8.180 nan 0.000 0.275 399 S N -0.419 115.230 115.700 -0.085 0.000 2.537 399 S HA 0.237 4.704 4.470 -0.005 0.000 0.301 399 S C 0.903 175.310 174.600 -0.322 0.000 1.092 399 S CA -0.653 57.419 58.200 -0.212 0.000 1.048 399 S CB 1.455 64.543 63.200 -0.186 0.000 1.053 399 S HN 0.304 nan 8.310 nan 0.000 0.501 400 H N 2.089 120.988 119.070 -0.284 0.000 2.387 400 H HA -0.034 4.520 4.556 -0.005 0.000 0.299 400 H C 2.114 177.207 175.328 -0.392 0.000 1.099 400 H CA 1.900 57.749 56.048 -0.331 0.000 1.315 400 H CB -0.674 28.924 29.762 -0.274 0.000 1.380 400 H HN 0.644 nan 8.280 nan 0.000 0.513 401 S N 0.397 115.860 115.700 -0.394 0.000 2.345 401 S HA -0.082 4.385 4.470 -0.005 0.000 0.220 401 S C 2.298 176.574 174.600 -0.540 0.000 1.031 401 S CA 0.710 58.529 58.200 -0.635 0.000 0.996 401 S CB -0.348 62.057 63.200 -1.325 0.000 0.882 401 S HN 0.135 nan 8.310 nan 0.000 0.445 402 L N 1.972 122.922 121.223 -0.455 0.000 2.046 402 L HA -0.005 4.332 4.340 -0.005 0.000 0.208 402 L C 1.936 178.670 176.870 -0.227 0.000 1.077 402 L CA 1.521 56.234 54.840 -0.212 0.000 0.747 402 L CB -0.563 41.448 42.059 -0.081 0.000 0.896 402 L HN 0.303 nan 8.230 nan 0.000 0.432 403 I N -1.493 118.895 120.570 -0.304 0.000 2.179 403 I HA -0.309 3.858 4.170 -0.005 0.000 0.242 403 I C 2.344 178.321 176.117 -0.234 0.000 1.088 403 I CA 1.443 62.530 61.300 -0.354 0.000 1.357 403 I CB -0.457 37.220 38.000 -0.539 0.000 1.051 403 I HN 0.175 nan 8.210 nan 0.000 0.409 404 S N 0.677 116.245 115.700 -0.220 0.000 2.399 404 S HA -0.109 4.359 4.470 -0.005 0.000 0.231 404 S C 1.959 176.513 174.600 -0.077 0.000 1.022 404 S CA 0.951 59.059 58.200 -0.155 0.000 0.983 404 S CB -0.241 62.858 63.200 -0.169 0.000 0.803 404 S HN 0.374 nan 8.310 nan 0.000 0.480 405 L N 0.714 121.877 121.223 -0.099 0.000 2.044 405 L HA -0.105 4.232 4.340 -0.005 0.000 0.205 405 L C 1.966 178.798 176.870 -0.063 0.000 1.075 405 L CA 1.462 56.273 54.840 -0.047 0.000 0.747 405 L CB -0.521 41.531 42.059 -0.011 0.000 0.903 405 L HN 0.397 nan 8.230 nan 0.000 0.435 406 C N -1.131 118.085 119.300 -0.140 0.000 2.448 406 C HA -0.108 4.349 4.460 -0.005 0.000 0.280 406 C C 2.435 177.368 174.990 -0.095 0.000 1.398 406 C CA 0.366 59.269 59.018 -0.193 0.000 1.774 406 C CB -1.336 26.165 27.740 -0.399 0.000 1.888 406 C HN 0.640 nan 8.230 nan 0.000 0.519 407 H N 2.003 120.989 119.070 -0.140 0.000 2.260 407 H HA -0.240 4.313 4.556 -0.005 0.000 0.288 407 H C 1.890 177.178 175.328 -0.066 0.000 1.094 407 H CA 2.639 58.628 56.048 -0.099 0.000 1.197 407 H CB -0.113 29.594 29.762 -0.091 0.000 1.346 407 H HN 0.396 nan 8.280 nan 0.000 0.486 408 A N -0.092 122.649 122.820 -0.132 0.000 2.503 408 A HA 0.280 4.597 4.320 -0.005 0.000 0.263 408 A C 0.241 177.794 177.584 -0.051 0.000 1.258 408 A CA -0.306 51.634 52.037 -0.162 0.000 0.936 408 A CB -0.213 18.731 19.000 -0.093 0.000 1.070 408 A HN 0.344 nan 8.150 nan 0.000 0.522 409 L N 1.174 122.388 121.223 -0.014 0.000 2.605 409 L HA -0.071 4.267 4.340 -0.005 0.000 0.296 409 L C 0.766 177.720 176.870 0.139 0.000 1.255 409 L CA 0.508 55.392 54.840 0.072 0.000 0.879 409 L CB -0.116 41.967 42.059 0.041 0.000 1.124 409 L HN 0.505 nan 8.230 nan 0.000 0.507 410 H N 6.842 126.021 119.070 0.180 0.000 3.107 410 H HA 0.027 4.580 4.556 -0.005 0.000 0.301 410 H C -1.780 173.628 175.328 0.133 0.000 0.981 410 H CA -1.241 54.889 56.048 0.137 0.000 1.443 410 H CB 0.856 30.684 29.762 0.109 0.000 1.479 410 H HN 0.515 nan 8.280 nan 0.000 0.564 411 P HA -0.174 nan 4.420 nan 0.000 0.217 411 P C 0.938 178.395 177.300 0.261 0.000 1.148 411 P CA 1.391 64.574 63.100 0.140 0.000 0.834 411 P CB 0.323 32.035 31.700 0.020 0.000 0.783 412 D N -2.623 117.995 120.400 0.363 0.000 2.354 412 D HA -0.155 4.482 4.640 -0.005 0.000 0.216 412 D C 1.218 177.477 176.300 -0.068 0.000 0.970 412 D CA 1.053 55.054 54.000 0.001 0.000 0.905 412 D CB -0.493 40.010 40.800 -0.495 0.000 0.903 412 D HN 0.319 nan 8.370 nan 0.000 0.508 413 Y N 0.112 120.501 120.300 0.147 0.000 2.510 413 Y HA 0.166 4.713 4.550 -0.005 0.000 0.273 413 Y C 1.953 177.968 175.900 0.192 0.000 1.119 413 Y CA 0.430 58.615 58.100 0.142 0.000 1.286 413 Y CB 0.446 38.993 38.460 0.145 0.000 1.061 413 Y HN -0.099 nan 8.280 nan 0.000 0.542 414 K N -0.280 120.316 120.400 0.326 0.000 2.370 414 K HA 0.302 4.619 4.320 -0.005 0.000 0.194 414 K C -0.037 176.691 176.600 0.213 0.000 1.070 414 K CA 0.421 56.862 56.287 0.258 0.000 0.998 414 K CB 1.424 34.030 32.500 0.176 0.000 0.911 414 K HN 0.049 nan 8.250 nan 0.000 0.533 415 I N 0.775 121.485 120.570 0.234 0.000 2.630 415 I HA 0.251 4.418 4.170 -0.005 0.000 0.279 415 I C -2.037 174.277 176.117 0.328 0.000 1.235 415 I CA -0.748 60.695 61.300 0.238 0.000 1.096 415 I CB 0.889 39.004 38.000 0.191 0.000 1.318 415 I HN -0.162 nan 8.210 nan 0.000 0.457 416 F N 7.813 127.834 119.950 0.119 0.000 2.577 416 F HA 0.470 4.994 4.527 -0.005 0.000 0.318 416 F C 0.751 176.602 175.800 0.085 0.000 1.065 416 F CA 0.302 58.357 58.000 0.091 0.000 0.929 416 F CB 1.158 40.198 39.000 0.067 0.000 1.237 416 F HN 0.812 nan 8.300 nan 0.000 0.468 417 D N 2.066 121.975 120.400 -0.819 0.000 4.266 417 D HA -0.361 4.276 4.640 -0.005 0.000 0.296 417 D C -0.492 175.700 176.300 -0.180 0.000 0.601 417 D CA 1.856 55.532 54.000 -0.541 0.000 0.963 417 D CB -0.827 39.677 40.800 -0.492 0.000 0.415 417 D HN 0.565 nan 8.370 nan 0.000 0.337 418 N N 2.381 121.032 118.700 -0.082 0.000 2.696 418 N HA 0.250 4.987 4.740 -0.005 0.000 0.308 418 N C -0.556 174.993 175.510 0.065 0.000 1.915 418 N CA -0.063 52.983 53.050 -0.007 0.000 0.906 418 N CB 1.225 39.699 38.487 -0.022 0.000 1.284 418 N HN 0.271 nan 8.380 nan 0.000 0.488 419 E N -0.047 120.222 120.200 0.115 0.000 2.447 419 E HA 0.496 4.843 4.350 -0.005 0.000 0.279 419 E C -1.140 175.570 176.600 0.183 0.000 1.053 419 E CA -0.631 55.877 56.400 0.181 0.000 0.840 419 E CB 2.986 32.852 29.700 0.278 0.000 1.409 419 E HN -0.165 nan 8.360 nan 0.000 0.461 420 V N 1.065 121.084 119.914 0.175 0.000 3.049 420 V HA 0.304 4.422 4.120 -0.005 0.000 0.309 420 V C -0.433 175.737 176.094 0.128 0.000 1.148 420 V CA -0.851 61.538 62.300 0.148 0.000 0.990 420 V CB 2.001 33.889 31.823 0.107 0.000 1.039 420 V HN 0.758 nan 8.190 nan 0.000 0.430 421 K N 1.333 121.822 120.400 0.148 0.000 3.088 421 K HA -0.272 4.045 4.320 -0.005 0.000 0.273 421 K C 0.928 177.568 176.600 0.066 0.000 1.111 421 K CA 0.973 57.336 56.287 0.127 0.000 0.803 421 K CB -1.402 31.115 32.500 0.030 0.000 1.226 421 K HN 0.780 nan 8.250 nan 0.000 0.485 422 N N 1.039 119.834 118.700 0.157 0.000 2.036 422 N HA -0.224 4.514 4.740 -0.005 0.000 0.199 422 N C 1.570 177.154 175.510 0.124 0.000 1.036 422 N CA 1.830 54.986 53.050 0.177 0.000 0.870 422 N CB -0.187 38.471 38.487 0.285 0.000 1.055 422 N HN 0.342 nan 8.380 nan 0.000 0.436 423 I N 0.415 121.110 120.570 0.208 0.000 2.286 423 I HA -0.106 4.061 4.170 -0.005 0.000 0.248 423 I C 1.855 177.967 176.117 -0.009 0.000 1.115 423 I CA 0.940 62.340 61.300 0.168 0.000 1.392 423 I CB -0.283 37.837 38.000 0.201 0.000 1.065 423 I HN 0.231 nan 8.210 nan 0.000 0.418 424 L N -0.020 121.095 121.223 -0.181 0.000 2.056 424 L HA -0.202 4.135 4.340 -0.005 0.000 0.207 424 L C 2.727 179.468 176.870 -0.215 0.000 1.078 424 L CA 1.342 55.944 54.840 -0.397 0.000 0.749 424 L CB -0.391 41.203 42.059 -0.776 0.000 0.901 424 L HN 0.211 nan 8.230 nan 0.000 0.433 425 R N -0.173 120.145 120.500 -0.304 0.000 2.081 425 R HA -0.192 4.145 4.340 -0.005 0.000 0.235 425 R C 2.004 178.021 176.300 -0.471 0.000 1.131 425 R CA 1.666 57.430 56.100 -0.560 0.000 0.960 425 R CB -0.356 29.337 30.300 -1.012 0.000 0.856 425 R HN 0.514 nan 8.270 nan 0.000 0.436 426 E N -0.141 119.925 120.200 -0.224 0.000 2.110 426 E HA -0.238 4.109 4.350 -0.005 0.000 0.193 426 E C 1.705 178.316 176.600 0.018 0.000 0.988 426 E CA 1.245 57.645 56.400 0.001 0.000 0.804 426 E CB -0.189 29.590 29.700 0.131 0.000 0.745 426 E HN 0.354 nan 8.360 nan 0.000 0.458 427 Y N 1.354 121.593 120.300 -0.101 0.000 2.133 427 Y HA -0.154 4.393 4.550 -0.005 0.000 0.287 427 Y C 2.298 178.150 175.900 -0.080 0.000 1.134 427 Y CA 1.382 59.435 58.100 -0.080 0.000 1.133 427 Y CB -0.592 37.804 38.460 -0.106 0.000 0.987 427 Y HN -0.031 nan 8.280 nan 0.000 0.502 428 A N 0.032 122.694 122.820 -0.264 0.000 1.940 428 A HA -0.250 4.067 4.320 -0.005 0.000 0.219 428 A C 2.034 179.465 177.584 -0.254 0.000 1.176 428 A CA 2.107 53.958 52.037 -0.311 0.000 0.631 428 A CB -1.089 17.806 19.000 -0.176 0.000 0.814 428 A HN 0.594 nan 8.150 nan 0.000 0.446 429 D N 0.138 120.429 120.400 -0.181 0.000 2.104 429 D HA -0.150 4.487 4.640 -0.005 0.000 0.194 429 D C 2.419 178.681 176.300 -0.065 0.000 0.994 429 D CA 2.012 55.977 54.000 -0.057 0.000 0.830 429 D CB -0.191 40.654 40.800 0.076 0.000 0.959 429 D HN 0.511 nan 8.370 nan 0.000 0.452 430 S N -0.088 115.549 115.700 -0.106 0.000 2.419 430 S HA -0.129 4.338 4.470 -0.005 0.000 0.235 430 S C 2.133 176.649 174.600 -0.140 0.000 1.019 430 S CA 0.428 58.570 58.200 -0.096 0.000 0.982 430 S CB -0.429 62.719 63.200 -0.087 0.000 0.789 430 S HN 0.219 nan 8.310 nan 0.000 0.490 431 L N 0.701 121.783 121.223 -0.235 0.000 2.191 431 L HA 0.001 4.338 4.340 -0.005 0.000 0.212 431 L C 0.869 177.679 176.870 -0.100 0.000 1.103 431 L CA 1.481 56.200 54.840 -0.201 0.000 0.769 431 L CB -1.640 40.266 42.059 -0.254 0.000 0.908 431 L HN 0.445 nan 8.230 nan 0.000 0.438 432 Q N -0.995 118.763 119.800 -0.071 0.000 2.452 432 Q HA -0.231 4.106 4.340 -0.005 0.000 0.318 432 Q C 0.643 176.629 176.000 -0.023 0.000 1.386 432 Q CA 0.555 56.340 55.803 -0.030 0.000 0.872 432 Q CB -1.750 26.976 28.738 -0.021 0.000 1.151 432 Q HN 0.343 nan 8.270 nan 0.000 0.417 433 L N -1.831 119.376 121.223 -0.026 0.000 3.227 433 L HA 0.256 4.593 4.340 -0.005 0.000 0.287 433 L C -0.319 176.552 176.870 0.002 0.000 1.161 433 L CA 0.465 55.298 54.840 -0.011 0.000 1.048 433 L CB 0.732 42.780 42.059 -0.017 0.000 1.541 433 L HN 0.161 nan 8.230 nan 0.000 0.590 434 L N 0.529 121.752 121.223 0.000 0.000 2.354 434 L HA 0.603 4.940 4.340 -0.005 0.000 0.269 434 L C -2.162 174.731 176.870 0.038 0.000 1.005 434 L CA -1.520 53.330 54.840 0.017 0.000 0.819 434 L CB 1.055 43.117 42.059 0.005 0.000 1.311 434 L HN -0.150 nan 8.230 nan 0.000 0.423 435 P HA 0.156 nan 4.420 nan 0.000 0.271 435 P C -0.095 177.271 177.300 0.110 0.000 1.218 435 P CA -0.477 62.669 63.100 0.077 0.000 0.780 435 P CB 1.014 32.761 31.700 0.078 0.000 0.901 436 K N 2.077 122.560 120.400 0.137 0.000 2.015 436 K HA -0.190 4.127 4.320 -0.005 0.000 0.216 436 K C 1.508 178.254 176.600 0.242 0.000 1.052 436 K CA 2.268 58.690 56.287 0.225 0.000 0.937 436 K CB -1.139 31.461 32.500 0.166 0.000 0.719 436 K HN 0.650 nan 8.250 nan 0.000 0.446 437 D N 0.750 121.250 120.400 0.168 0.000 2.271 437 D HA -0.192 4.445 4.640 -0.005 0.000 0.207 437 D C 1.699 178.078 176.300 0.132 0.000 0.983 437 D CA 1.023 55.117 54.000 0.157 0.000 0.878 437 D CB -0.182 40.712 40.800 0.155 0.000 0.920 437 D HN 0.136 nan 8.370 nan 0.000 0.479 438 I N 0.445 121.085 120.570 0.117 0.000 2.385 438 I HA -0.110 4.057 4.170 -0.005 0.000 0.244 438 I C 2.724 178.846 176.117 0.008 0.000 1.089 438 I CA 0.244 61.579 61.300 0.058 0.000 1.410 438 I CB -1.011 37.029 38.000 0.066 0.000 1.117 438 I HN -0.040 nan 8.210 nan 0.000 0.429 439 V N 0.004 119.920 119.914 0.002 0.000 2.278 439 V HA -0.261 3.856 4.120 -0.005 0.000 0.251 439 V C 1.252 177.157 176.094 -0.315 0.000 1.062 439 V CA 1.830 64.027 62.300 -0.171 0.000 1.038 439 V CB -0.750 30.958 31.823 -0.192 0.000 0.646 439 V HN 0.482 nan 8.190 nan 0.000 0.447 440 W N -0.310 120.988 121.300 -0.002 0.000 2.987 440 W HA 0.477 5.134 4.660 -0.005 0.000 0.441 440 W C 1.451 177.954 176.519 -0.027 0.000 0.853 440 W CA -0.814 56.529 57.345 -0.004 0.000 2.222 440 W CB -0.396 29.069 29.460 0.008 0.000 1.139 440 W HN 0.024 nan 8.180 nan 0.000 0.819 441 R N 1.787 122.321 120.500 0.057 0.000 0.604 441 R HA 0.193 4.530 4.340 -0.005 0.000 0.044 441 R C -0.065 176.222 176.300 -0.022 0.000 0.427 441 R CA 0.816 56.895 56.100 -0.034 0.000 2.173 441 R CB -0.002 30.209 30.300 -0.148 0.000 0.474 441 R HN -0.155 nan 8.270 nan 0.000 0.809 442 K N -0.586 119.766 120.400 -0.080 0.000 2.610 442 K HA 0.142 4.459 4.320 -0.005 0.000 0.267 442 K C -1.900 174.658 176.600 -0.071 0.000 0.943 442 K CA -0.565 55.693 56.287 -0.047 0.000 0.862 442 K CB 0.770 33.248 32.500 -0.036 0.000 1.376 442 K HN 0.458 nan 8.250 nan 0.000 0.412 443 K N 2.787 123.162 120.400 -0.042 0.000 2.477 443 K HA 0.131 4.448 4.320 -0.005 0.000 0.275 443 K C -0.320 176.247 176.600 -0.056 0.000 1.054 443 K CA 0.192 56.450 56.287 -0.047 0.000 1.135 443 K CB 0.004 32.489 32.500 -0.025 0.000 0.854 443 K HN 0.402 nan 8.250 nan 0.000 0.484 444 I N 2.692 123.224 120.570 -0.064 0.000 2.590 444 I HA 0.270 4.437 4.170 -0.005 0.000 0.283 444 I C -0.179 175.918 176.117 -0.033 0.000 1.154 444 I CA -0.152 61.114 61.300 -0.056 0.000 1.067 444 I CB 1.497 39.450 38.000 -0.078 0.000 1.243 444 I HN 0.837 nan 8.210 nan 0.000 0.451 445 G N 6.112 114.909 108.800 -0.006 0.000 2.667 445 G HA2 0.283 4.240 3.960 -0.005 0.000 0.250 445 G HA3 0.283 4.240 3.960 -0.005 0.000 0.250 445 G C 1.032 176.008 174.900 0.128 0.000 1.212 445 G CA -0.294 44.854 45.100 0.080 0.000 0.874 445 G HN 0.703 nan 8.290 nan 0.000 0.561 446 I N -0.172 120.502 120.570 0.173 0.000 2.090 446 I HA -0.195 3.972 4.170 -0.005 0.000 0.236 446 I C 2.504 178.748 176.117 0.213 0.000 1.064 446 I CA 1.954 63.331 61.300 0.128 0.000 1.324 446 I CB -0.803 37.226 38.000 0.049 0.000 1.044 446 I HN 0.830 nan 8.210 nan 0.000 0.399 447 H N 0.480 119.561 119.070 0.019 0.000 2.518 447 H HA -0.075 4.478 4.556 -0.005 0.000 0.292 447 H C 1.621 176.980 175.328 0.052 0.000 1.068 447 H CA 0.937 57.020 56.048 0.058 0.000 1.275 447 H CB -0.286 29.541 29.762 0.109 0.000 1.375 447 H HN 0.520 nan 8.280 nan 0.000 0.563 448 E N 0.901 121.082 120.200 -0.032 0.000 2.094 448 E HA 0.037 4.384 4.350 -0.005 0.000 0.193 448 E C 2.681 179.262 176.600 -0.031 0.000 0.950 448 E CA 0.313 56.641 56.400 -0.120 0.000 0.842 448 E CB -0.118 29.469 29.700 -0.188 0.000 0.816 448 E HN 0.520 nan 8.360 nan 0.000 0.465 449 G N 0.622 109.419 108.800 -0.004 0.000 2.516 449 G HA2 -0.220 3.737 3.960 -0.005 0.000 0.221 449 G HA3 -0.220 3.737 3.960 -0.005 0.000 0.221 449 G C 1.364 176.253 174.900 -0.019 0.000 1.107 449 G CA 0.970 46.069 45.100 -0.001 0.000 0.747 449 G HN 0.121 nan 8.290 nan 0.000 0.567 450 S N -0.351 115.344 115.700 -0.008 0.000 2.650 450 S HA 0.303 4.770 4.470 -0.005 0.000 0.240 450 S C 1.286 175.882 174.600 -0.007 0.000 1.007 450 S CA 0.387 58.569 58.200 -0.030 0.000 0.984 450 S CB 0.425 63.620 63.200 -0.008 0.000 0.910 450 S HN 0.363 nan 8.310 nan 0.000 0.509 451 S N 0.414 116.115 115.700 0.002 0.000 3.402 451 S HA -0.169 4.298 4.470 -0.005 0.000 0.329 451 S C 1.294 175.921 174.600 0.045 0.000 1.194 451 S CA 0.685 58.891 58.200 0.010 0.000 0.951 451 S CB -2.081 61.118 63.200 -0.002 0.000 0.975 451 S HN 0.438 nan 8.310 nan 0.000 0.574 452 V N 2.248 122.207 119.914 0.074 0.000 2.392 452 V HA -0.297 3.820 4.120 -0.005 0.000 0.249 452 V C 2.535 178.731 176.094 0.169 0.000 1.059 452 V CA 2.180 64.548 62.300 0.112 0.000 1.051 452 V CB -0.650 31.249 31.823 0.126 0.000 0.658 452 V HN 0.930 nan 8.190 nan 0.000 0.455 453 N N 0.689 119.499 118.700 0.183 0.000 2.309 453 N HA -0.228 4.509 4.740 -0.005 0.000 0.182 453 N C 1.762 177.331 175.510 0.097 0.000 1.018 453 N CA 1.682 54.860 53.050 0.212 0.000 0.876 453 N CB -0.364 38.238 38.487 0.191 0.000 0.972 453 N HN 0.518 nan 8.380 nan 0.000 0.434 454 Q N 0.836 120.671 119.800 0.058 0.000 2.020 454 Q HA 0.209 4.546 4.340 -0.005 0.000 0.198 454 Q C 2.142 178.157 176.000 0.026 0.000 0.974 454 Q CA 1.976 57.788 55.803 0.015 0.000 0.829 454 Q CB -0.667 28.075 28.738 0.007 0.000 0.894 454 Q HN 0.409 nan 8.270 nan 0.000 0.433 455 A N 0.178 123.035 122.820 0.062 0.000 1.883 455 A HA -0.209 4.108 4.320 -0.005 0.000 0.217 455 A C 2.170 179.827 177.584 0.122 0.000 1.186 455 A CA 1.598 53.678 52.037 0.071 0.000 0.624 455 A CB -1.302 17.743 19.000 0.076 0.000 0.822 455 A HN 0.634 nan 8.150 nan 0.000 0.444 456 F N 0.608 120.536 119.950 -0.036 0.000 2.095 456 F HA -0.195 4.329 4.527 -0.005 0.000 0.298 456 F C 2.565 178.293 175.800 -0.120 0.000 1.104 456 F CA 1.114 59.075 58.000 -0.064 0.000 1.232 456 F CB -0.074 38.909 39.000 -0.028 0.000 0.987 456 F HN 0.313 nan 8.300 nan 0.000 0.475 457 A N 0.688 123.416 122.820 -0.154 0.000 1.902 457 A HA -0.225 4.092 4.320 -0.005 0.000 0.217 457 A C 1.806 179.274 177.584 -0.193 0.000 1.181 457 A CA 1.770 53.623 52.037 -0.306 0.000 0.623 457 A CB -0.909 17.950 19.000 -0.234 0.000 0.818 457 A HN 0.506 nan 8.150 nan 0.000 0.443 458 N N 0.265 118.908 118.700 -0.095 0.000 2.223 458 N HA -0.116 4.621 4.740 -0.005 0.000 0.185 458 N C 1.528 176.990 175.510 -0.079 0.000 1.016 458 N CA 1.579 54.587 53.050 -0.071 0.000 0.863 458 N CB -0.444 38.024 38.487 -0.031 0.000 0.983 458 N HN 0.310 nan 8.380 nan 0.000 0.429 459 V N 0.772 120.640 119.914 -0.077 0.000 2.871 459 V HA -0.025 4.092 4.120 -0.005 0.000 0.256 459 V C 1.992 177.981 176.094 -0.176 0.000 1.082 459 V CA 0.899 63.144 62.300 -0.092 0.000 1.105 459 V CB -0.235 31.560 31.823 -0.047 0.000 0.713 459 V HN 0.217 nan 8.190 nan 0.000 0.473 460 L N -0.299 120.779 121.223 -0.242 0.000 2.590 460 L HA 0.378 4.715 4.340 -0.005 0.000 0.227 460 L C 2.005 178.761 176.870 -0.190 0.000 1.099 460 L CA 0.869 55.542 54.840 -0.278 0.000 0.872 460 L CB 0.023 41.831 42.059 -0.418 0.000 1.088 460 L HN 0.473 nan 8.230 nan 0.000 0.479 461 G N -0.211 108.494 108.800 -0.157 0.000 2.396 461 G HA2 -0.378 3.579 3.960 -0.005 0.000 0.242 461 G HA3 -0.378 3.579 3.960 -0.005 0.000 0.242 461 G C 0.670 175.499 174.900 -0.120 0.000 1.069 461 G CA 0.581 45.613 45.100 -0.114 0.000 0.633 461 G HN 0.362 nan 8.290 nan 0.000 0.517 462 S N 0.998 116.605 115.700 -0.155 0.000 2.598 462 S HA 0.510 4.977 4.470 -0.005 0.000 0.256 462 S C 1.385 175.892 174.600 -0.155 0.000 1.350 462 S CA 1.082 59.193 58.200 -0.148 0.000 0.984 462 S CB 0.189 63.282 63.200 -0.178 0.000 0.930 462 S HN 1.611 nan 8.310 nan 0.000 0.577 463 T N -0.586 113.890 114.554 -0.131 0.000 2.754 463 T HA 0.255 4.602 4.350 -0.005 0.000 0.286 463 T C 1.400 175.999 174.700 -0.169 0.000 0.997 463 T CA -0.136 61.895 62.100 -0.115 0.000 0.982 463 T CB 0.470 69.296 68.868 -0.070 0.000 1.027 463 T HN 1.073 nan 8.240 nan 0.000 0.529 464 V N -1.682 118.156 119.914 -0.128 0.000 3.573 464 V HA 0.168 4.285 4.120 -0.005 0.000 0.270 464 V C 0.830 176.865 176.094 -0.098 0.000 1.221 464 V CA 0.782 62.992 62.300 -0.149 0.000 1.163 464 V CB -0.856 30.931 31.823 -0.059 0.000 0.847 464 V HN 0.791 nan 8.190 nan 0.000 0.468 465 D N 0.498 120.871 120.400 -0.045 0.000 2.422 465 D HA 0.065 4.702 4.640 -0.005 0.000 0.218 465 D C 0.658 177.041 176.300 0.138 0.000 1.047 465 D CA 0.277 54.350 54.000 0.121 0.000 0.885 465 D CB 0.078 40.930 40.800 0.086 0.000 1.035 465 D HN 0.549 nan 8.370 nan 0.000 0.502 466 N N 0.927 119.605 118.700 -0.037 0.000 2.466 466 N HA -0.065 4.672 4.740 -0.005 0.000 0.263 466 N C -0.224 175.229 175.510 -0.095 0.000 1.178 466 N CA 0.107 53.145 53.050 -0.020 0.000 0.983 466 N CB -0.294 38.158 38.487 -0.059 0.000 1.331 466 N HN -0.020 nan 8.380 nan 0.000 0.500 467 Y N 0.927 121.230 120.300 0.005 0.000 2.490 467 Y HA 0.101 4.647 4.550 -0.005 0.000 0.281 467 Y C 1.815 177.746 175.900 0.051 0.000 1.174 467 Y CA 0.253 58.372 58.100 0.032 0.000 1.295 467 Y CB 0.215 38.719 38.460 0.073 0.000 1.062 467 Y HN 0.593 nan 8.280 nan 0.000 0.522 468 Q N -1.235 118.646 119.800 0.134 0.000 2.137 468 Q HA -0.136 4.201 4.340 -0.005 0.000 0.198 468 Q C 2.272 178.322 176.000 0.083 0.000 0.960 468 Q CA 1.632 57.500 55.803 0.109 0.000 0.847 468 Q CB -0.056 28.727 28.738 0.076 0.000 0.915 468 Q HN 0.316 nan 8.270 nan 0.000 0.448 469 T N 0.372 114.938 114.554 0.020 0.000 2.942 469 T HA -0.040 4.307 4.350 -0.005 0.000 0.265 469 T C 1.568 176.269 174.700 0.002 0.000 1.062 469 T CA 0.875 62.974 62.100 -0.002 0.000 1.139 469 T CB 0.144 68.968 68.868 -0.073 0.000 0.883 469 T HN 0.108 nan 8.240 nan 0.000 0.468 470 K N 0.540 120.896 120.400 -0.074 0.000 2.148 470 K HA 0.046 4.364 4.320 -0.005 0.000 0.204 470 K C 2.555 179.331 176.600 0.293 0.000 1.050 470 K CA 1.290 57.538 56.287 -0.064 0.000 0.942 470 K CB -0.042 32.287 32.500 -0.286 0.000 0.724 470 K HN 0.200 nan 8.250 nan 0.000 0.446 471 S N 0.828 116.680 115.700 0.254 0.000 2.414 471 S HA -0.076 4.391 4.470 -0.005 0.000 0.227 471 S C 1.773 176.543 174.600 0.284 0.000 1.022 471 S CA 0.821 59.194 58.200 0.288 0.000 0.958 471 S CB -0.042 63.303 63.200 0.242 0.000 0.797 471 S HN 0.215 nan 8.310 nan 0.000 0.493 472 R N 1.442 122.084 120.500 0.236 0.000 2.091 472 R HA -0.067 4.270 4.340 -0.005 0.000 0.238 472 R C 1.750 178.205 176.300 0.259 0.000 1.136 472 R CA 1.534 57.769 56.100 0.224 0.000 0.959 472 R CB -0.980 29.413 30.300 0.156 0.000 0.856 472 R HN 0.402 nan 8.270 nan 0.000 0.437 473 F N 1.105 121.133 119.950 0.131 0.000 2.098 473 F HA -0.087 4.437 4.527 -0.005 0.000 0.294 473 F C 2.207 178.104 175.800 0.162 0.000 1.107 473 F CA 2.229 60.306 58.000 0.130 0.000 1.234 473 F CB -1.014 38.090 39.000 0.173 0.000 1.002 473 F HN 0.247 nan 8.300 nan 0.000 0.472 474 T N -1.837 112.844 114.554 0.211 0.000 2.684 474 T HA -0.339 4.008 4.350 -0.005 0.000 0.267 474 T C 2.099 176.892 174.700 0.154 0.000 1.036 474 T CA 1.850 64.016 62.100 0.111 0.000 1.148 474 T CB -1.675 67.349 68.868 0.259 0.000 0.863 474 T HN 0.577 nan 8.240 nan 0.000 0.436 475 Y N 1.844 122.187 120.300 0.071 0.000 2.352 475 Y HA -0.019 4.527 4.550 -0.006 0.000 0.292 475 Y C 2.775 178.671 175.900 -0.006 0.000 1.136 475 Y CA 0.542 58.676 58.100 0.058 0.000 1.227 475 Y CB 0.019 38.506 38.460 0.045 0.000 0.991 475 Y HN 0.108 nan 8.280 nan 0.000 0.545 476 R N -0.492 119.930 120.500 -0.130 0.000 2.062 476 R HA -0.123 4.214 4.340 -0.005 0.000 0.226 476 R C 2.380 178.460 176.300 -0.366 0.000 1.125 476 R CA 1.584 57.503 56.100 -0.301 0.000 0.966 476 R CB -0.586 29.597 30.300 -0.195 0.000 0.861 476 R HN 0.402 nan 8.270 nan 0.000 0.433 477 V N -1.037 118.624 119.914 -0.423 0.000 2.358 477 V HA -0.249 3.868 4.120 -0.005 0.000 0.246 477 V C 2.007 177.874 176.094 -0.378 0.000 1.047 477 V CA 1.528 63.491 62.300 -0.562 0.000 1.035 477 V CB -1.005 30.398 31.823 -0.700 0.000 0.658 477 V HN 0.281 nan 8.190 nan 0.000 0.452 478 Y N 2.078 122.236 120.300 -0.238 0.000 2.040 478 Y HA -0.336 4.211 4.550 -0.006 0.000 0.275 478 Y C 2.705 178.492 175.900 -0.188 0.000 1.171 478 Y CA 2.787 60.865 58.100 -0.036 0.000 1.123 478 Y CB -0.556 37.987 38.460 0.138 0.000 0.963 478 Y HN 0.368 nan 8.280 nan 0.000 0.493 479 Q N -0.248 119.278 119.800 -0.457 0.000 2.119 479 Q HA -0.135 4.202 4.340 -0.005 0.000 0.201 479 Q C 2.547 178.238 176.000 -0.514 0.000 0.972 479 Q CA 1.257 56.490 55.803 -0.950 0.000 0.847 479 Q CB -0.414 27.586 28.738 -1.230 0.000 0.903 479 Q HN 0.618 nan 8.270 nan 0.000 0.433 480 A N 0.918 123.504 122.820 -0.391 0.000 1.851 480 A HA -0.200 4.117 4.320 -0.005 0.000 0.216 480 A C 1.901 179.428 177.584 -0.094 0.000 1.195 480 A CA 1.344 53.216 52.037 -0.275 0.000 0.622 480 A CB -1.126 17.641 19.000 -0.389 0.000 0.831 480 A HN 0.390 nan 8.150 nan 0.000 0.444 481 F N -0.893 118.992 119.950 -0.109 0.000 2.126 481 F HA -0.197 4.327 4.527 -0.005 0.000 0.299 481 F C 1.943 177.743 175.800 -0.000 0.000 1.096 481 F CA 0.637 58.641 58.000 0.006 0.000 1.255 481 F CB -0.197 38.869 39.000 0.110 0.000 0.997 481 F HN 0.138 nan 8.300 nan 0.000 0.479 482 L N -0.134 121.135 121.223 0.076 0.000 2.549 482 L HA -0.096 4.241 4.340 -0.005 0.000 0.229 482 L C 1.760 178.692 176.870 0.103 0.000 1.158 482 L CA 1.455 56.317 54.840 0.037 0.000 0.842 482 L CB -0.570 41.494 42.059 0.008 0.000 0.952 482 L HN 0.004 nan 8.230 nan 0.000 0.452 483 R N -1.761 118.794 120.500 0.091 0.000 2.404 483 R HA 0.313 4.650 4.340 -0.005 0.000 0.237 483 R C 1.405 177.742 176.300 0.062 0.000 0.907 483 R CA 0.614 56.763 56.100 0.082 0.000 1.063 483 R CB 0.481 30.824 30.300 0.071 0.000 1.134 483 R HN 0.270 nan 8.270 nan 0.000 0.529 484 G N 1.949 110.809 108.800 0.099 0.000 2.179 484 G HA2 -0.355 3.602 3.960 -0.005 0.000 0.260 484 G HA3 -0.355 3.602 3.960 -0.005 0.000 0.260 484 G C 0.898 175.832 174.900 0.056 0.000 0.977 484 G CA 0.388 45.540 45.100 0.087 0.000 0.641 484 G HN 0.312 nan 8.290 nan 0.000 0.533 485 R N -0.685 119.836 120.500 0.035 0.000 2.377 485 R HA 0.327 4.665 4.340 -0.005 0.000 0.207 485 R C 0.848 177.146 176.300 -0.004 0.000 1.075 485 R CA 0.830 56.928 56.100 -0.002 0.000 1.035 485 R CB 0.068 30.347 30.300 -0.035 0.000 0.857 485 R HN 0.484 nan 8.270 nan 0.000 0.475 486 L N -0.712 120.546 121.223 0.059 0.000 2.505 486 L HA 0.276 4.614 4.340 -0.005 0.000 0.259 486 L C -1.154 175.852 176.870 0.226 0.000 0.952 486 L CA -0.578 54.313 54.840 0.085 0.000 0.840 486 L CB 2.465 44.473 42.059 -0.086 0.000 1.358 486 L HN -0.156 nan 8.230 nan 0.000 0.409 487 S N 1.946 117.721 115.700 0.125 0.000 2.509 487 S HA 0.297 4.764 4.470 -0.005 0.000 0.297 487 S C 0.774 175.304 174.600 -0.117 0.000 1.118 487 S CA -0.564 57.618 58.200 -0.029 0.000 1.074 487 S CB 1.399 64.563 63.200 -0.061 0.000 1.038 487 S HN 0.596 nan 8.310 nan 0.000 0.498 488 I N 4.829 125.056 120.570 -0.572 0.000 2.264 488 I HA -0.131 4.037 4.170 -0.005 0.000 0.248 488 I C 2.201 178.183 176.117 -0.226 0.000 1.111 488 I CA 2.771 63.653 61.300 -0.697 0.000 1.382 488 I CB -0.651 36.694 38.000 -1.091 0.000 1.060 488 I HN 0.932 nan 8.210 nan 0.000 0.418 489 T N -2.686 111.779 114.554 -0.147 0.000 2.866 489 T HA 0.018 4.365 4.350 -0.005 0.000 0.250 489 T C 0.923 175.614 174.700 -0.015 0.000 1.033 489 T CA 0.436 62.507 62.100 -0.047 0.000 1.145 489 T CB -0.654 68.192 68.868 -0.036 0.000 0.866 489 T HN 0.190 nan 8.240 nan 0.000 0.434 490 D N 3.320 123.707 120.400 -0.022 0.000 2.600 490 D HA 0.264 4.901 4.640 -0.005 0.000 0.226 490 D C 0.053 176.364 176.300 0.019 0.000 1.119 490 D CA -0.054 53.945 54.000 -0.001 0.000 1.051 490 D CB 0.206 41.001 40.800 -0.010 0.000 1.106 490 D HN 0.471 nan 8.370 nan 0.000 0.491 491 V N -0.362 119.572 119.914 0.032 0.000 2.180 491 V HA 0.255 4.372 4.120 -0.005 0.000 0.265 491 V C 0.608 176.724 176.094 0.038 0.000 1.214 491 V CA -0.884 61.444 62.300 0.047 0.000 1.130 491 V CB 0.121 31.991 31.823 0.078 0.000 1.266 491 V HN 0.004 nan 8.190 nan 0.000 0.473 492 T N 6.909 121.477 114.554 0.024 0.000 2.905 492 T HA 0.092 4.439 4.350 -0.005 0.000 0.299 492 T C -0.720 173.998 174.700 0.030 0.000 1.024 492 T CA 0.333 62.446 62.100 0.022 0.000 1.151 492 T CB 0.969 69.845 68.868 0.012 0.000 0.987 492 T HN 0.610 nan 8.240 nan 0.000 0.535 493 P HA -0.058 nan 4.420 nan 0.000 0.226 493 P C 1.073 178.394 177.300 0.034 0.000 1.146 493 P CA 0.729 63.852 63.100 0.039 0.000 0.773 493 P CB 0.228 31.948 31.700 0.033 0.000 0.772 494 S N 0.414 116.128 115.700 0.025 0.000 2.371 494 S HA -0.070 4.397 4.470 -0.005 0.000 0.221 494 S C 2.006 176.618 174.600 0.021 0.000 1.036 494 S CA 0.678 58.889 58.200 0.019 0.000 0.965 494 S CB -0.718 62.489 63.200 0.011 0.000 0.845 494 S HN 0.293 nan 8.310 nan 0.000 0.475 495 Q N 1.127 120.936 119.800 0.015 0.000 2.308 495 Q HA -0.095 4.242 4.340 -0.005 0.000 0.209 495 Q C 1.896 177.912 176.000 0.026 0.000 0.985 495 Q CA 0.894 56.699 55.803 0.004 0.000 0.881 495 Q CB -0.718 28.011 28.738 -0.016 0.000 0.917 495 Q HN 0.519 nan 8.270 nan 0.000 0.443 496 L N 0.483 121.746 121.223 0.067 0.000 1.976 496 L HA -0.212 4.125 4.340 -0.005 0.000 0.209 496 L C 2.283 179.240 176.870 0.144 0.000 1.071 496 L CA 1.104 56.037 54.840 0.156 0.000 0.746 496 L CB -0.598 41.549 42.059 0.146 0.000 0.890 496 L HN 0.104 nan 8.230 nan 0.000 0.432 497 K N 0.100 120.544 120.400 0.073 0.000 2.097 497 K HA -0.120 4.197 4.320 -0.005 0.000 0.205 497 K C 1.520 178.143 176.600 0.038 0.000 1.050 497 K CA 1.143 57.458 56.287 0.047 0.000 0.938 497 K CB -0.644 31.868 32.500 0.020 0.000 0.718 497 K HN 0.250 nan 8.250 nan 0.000 0.442 498 D N 1.074 121.489 120.400 0.026 0.000 2.411 498 D HA -0.104 4.533 4.640 -0.005 0.000 0.226 498 D C 0.839 177.139 176.300 0.001 0.000 0.988 498 D CA 0.566 54.571 54.000 0.007 0.000 0.938 498 D CB -0.239 40.559 40.800 -0.004 0.000 0.883 498 D HN 0.136 nan 8.370 nan 0.000 0.525 499 L N 0.646 121.882 121.223 0.022 0.000 2.779 499 L HA 0.077 4.414 4.340 -0.005 0.000 0.239 499 L C 0.401 177.285 176.870 0.024 0.000 1.245 499 L CA -0.279 54.567 54.840 0.010 0.000 1.064 499 L CB -0.135 41.946 42.059 0.036 0.000 1.350 499 L HN 0.002 nan 8.230 nan 0.000 0.455 500 I N -1.465 119.115 120.570 0.016 0.000 5.021 500 I HA -0.350 3.817 4.170 -0.005 0.000 0.223 500 I C 1.198 177.333 176.117 0.030 0.000 1.649 500 I CA 1.211 62.520 61.300 0.015 0.000 1.443 500 I CB -1.852 36.151 38.000 0.005 0.000 2.787 500 I HN 0.501 nan 8.210 nan 0.000 0.314 501 K N 0.000 120.432 120.400 0.054 0.000 2.780 501 K HA 0.000 4.317 4.320 -0.005 0.000 0.191 501 K CA 0.000 56.326 56.287 0.065 0.000 0.838 501 K CB 0.000 32.599 32.500 0.165 0.000 1.064 501 K HN 0.000 nan 8.250 nan 0.000 0.543