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_B 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 0.000 174.612 174.600 0.021 0.000 1.055 2 S CA 0.000 58.234 58.200 0.057 0.000 1.107 2 S CB 0.000 63.221 63.200 0.035 0.000 0.593 3 N N 1.038 119.747 118.700 0.015 0.000 2.395 3 N HA -0.027 4.713 4.740 -0.000 0.000 0.334 3 N C 0.018 175.594 175.510 0.111 0.000 1.004 3 N CA 0.916 54.009 53.050 0.073 0.000 1.351 3 N CB -0.159 38.439 38.487 0.184 0.000 2.253 3 N HN 0.751 nan 8.380 nan 0.000 1.053 4 S N -0.135 115.540 115.700 -0.042 0.000 2.655 4 S HA 0.661 5.130 4.470 -0.000 0.000 0.265 4 S C -0.047 174.604 174.600 0.084 0.000 1.240 4 S CA -0.278 57.889 58.200 -0.055 0.000 0.986 4 S CB 0.768 63.716 63.200 -0.421 0.000 0.985 4 S HN 0.416 nan 8.310 nan 0.000 0.562 5 F N -1.799 118.145 119.950 -0.010 0.000 2.715 5 F HA 0.828 5.354 4.527 -0.000 0.000 0.318 5 F C -0.815 175.058 175.800 0.122 0.000 1.141 5 F CA -1.207 56.802 58.000 0.016 0.000 0.950 5 F CB 0.894 39.906 39.000 0.019 0.000 1.374 5 F HN 1.120 nan 8.300 nan 0.000 0.477 6 C N 0.438 119.831 119.300 0.156 0.000 3.312 6 C HA 0.916 5.375 4.460 -0.000 0.000 0.332 6 C C -1.829 173.338 174.990 0.295 0.000 1.340 6 C CA -0.943 58.118 59.018 0.071 0.000 1.265 6 C CB 1.176 29.015 27.740 0.165 0.000 1.563 6 C HN 1.040 nan 8.230 nan 0.000 0.471 7 V N 1.040 121.064 119.914 0.182 0.000 2.841 7 V HA 0.829 4.949 4.120 -0.000 0.000 0.310 7 V C -0.742 175.281 176.094 -0.119 0.000 1.090 7 V CA -0.448 61.875 62.300 0.038 0.000 0.930 7 V CB 1.761 33.517 31.823 -0.112 0.000 1.014 7 V HN 1.178 nan 8.190 nan 0.000 0.425 8 V N 4.974 124.689 119.914 -0.332 0.000 2.531 8 V HA 0.577 4.696 4.120 -0.000 0.000 0.301 8 V C -1.234 174.634 176.094 -0.377 0.000 1.034 8 V CA -0.582 61.286 62.300 -0.719 0.000 0.865 8 V CB 1.665 32.525 31.823 -1.606 0.000 0.995 8 V HN 0.808 nan 8.190 nan 0.000 0.424 9 Y N 7.500 127.562 120.300 -0.397 0.000 2.377 9 Y HA 0.368 4.917 4.550 -0.000 0.000 0.330 9 Y C 1.111 176.850 175.900 -0.269 0.000 1.108 9 Y CA 0.004 57.943 58.100 -0.268 0.000 1.308 9 Y CB 0.501 38.860 38.460 -0.167 0.000 1.216 9 Y HN 0.817 nan 8.280 nan 0.000 0.518 10 K N 2.514 122.404 120.400 -0.851 0.000 3.341 10 K HA -0.159 4.161 4.320 -0.000 0.000 0.305 10 K C 0.076 176.481 176.600 -0.326 0.000 1.270 10 K CA 0.881 56.781 56.287 -0.646 0.000 0.897 10 K CB -1.701 30.417 32.500 -0.638 0.000 1.264 10 K HN 0.963 nan 8.250 nan 0.000 0.468 11 G N 0.723 109.363 108.800 -0.267 0.000 2.476 11 G HA2 0.470 4.430 3.960 -0.000 0.000 0.269 11 G HA3 0.470 4.430 3.960 -0.000 0.000 0.269 11 G C 0.358 175.310 174.900 0.086 0.000 1.195 11 G CA 0.334 45.340 45.100 -0.156 0.000 0.843 11 G HN 0.272 nan 8.290 nan 0.000 0.545 12 S N -0.245 115.469 115.700 0.023 0.000 2.837 12 S HA 0.393 4.863 4.470 -0.000 0.000 0.314 12 S C 0.419 174.761 174.600 -0.431 0.000 1.098 12 S CA -0.437 57.776 58.200 0.020 0.000 0.903 12 S CB 1.504 64.702 63.200 -0.003 0.000 1.310 12 S HN 0.354 nan 8.310 nan 0.000 0.581 13 D N 1.099 121.214 120.400 -0.475 0.000 2.219 13 D HA 0.035 4.674 4.640 -0.000 0.000 0.205 13 D C 1.626 177.780 176.300 -0.244 0.000 0.970 13 D CA 1.495 55.194 54.000 -0.500 0.000 0.851 13 D CB -0.498 40.135 40.800 -0.278 0.000 0.943 13 D HN 0.565 nan 8.370 nan 0.000 0.488 14 T N 0.767 115.233 114.554 -0.147 0.000 2.544 14 T HA -0.206 4.143 4.350 -0.000 0.000 0.264 14 T C 1.399 176.071 174.700 -0.047 0.000 1.096 14 T CA 1.465 63.522 62.100 -0.073 0.000 1.181 14 T CB -0.499 68.345 68.868 -0.039 0.000 0.864 14 T HN 0.196 nan 8.240 nan 0.000 0.415 15 D N 0.721 121.115 120.400 -0.010 0.000 2.228 15 D HA -0.095 4.545 4.640 -0.000 0.000 0.203 15 D C 2.008 178.369 176.300 0.101 0.000 0.988 15 D CA 0.810 54.878 54.000 0.114 0.000 0.864 15 D CB -0.114 40.817 40.800 0.220 0.000 0.928 15 D HN 0.282 nan 8.370 nan 0.000 0.469 16 I N 1.552 122.105 120.570 -0.029 0.000 2.277 16 I HA -0.154 4.016 4.170 -0.000 0.000 0.243 16 I C 1.966 178.019 176.117 -0.107 0.000 1.094 16 I CA 0.631 61.886 61.300 -0.074 0.000 1.393 16 I CB -0.975 36.945 38.000 -0.133 0.000 1.078 16 I HN -0.032 nan 8.210 nan 0.000 0.417 17 N N 1.745 120.394 118.700 -0.086 0.000 2.137 17 N HA -0.208 4.532 4.740 -0.000 0.000 0.190 17 N C 1.462 176.933 175.510 -0.065 0.000 1.017 17 N CA 1.187 54.199 53.050 -0.064 0.000 0.859 17 N CB -0.577 37.879 38.487 -0.052 0.000 1.002 17 N HN 0.462 nan 8.380 nan 0.000 0.428 18 N N 1.219 119.881 118.700 -0.064 0.000 2.084 18 N HA -0.053 4.687 4.740 -0.000 0.000 0.190 18 N C 1.995 177.452 175.510 -0.087 0.000 1.030 18 N CA 0.731 53.743 53.050 -0.063 0.000 0.849 18 N CB -0.204 38.252 38.487 -0.051 0.000 1.012 18 N HN 0.314 nan 8.380 nan 0.000 0.423 19 I N 1.811 122.292 120.570 -0.148 0.000 2.142 19 I HA -0.275 3.895 4.170 -0.000 0.000 0.240 19 I C 2.203 178.242 176.117 -0.130 0.000 1.078 19 I CA 1.173 62.352 61.300 -0.201 0.000 1.343 19 I CB -0.469 37.199 38.000 -0.555 0.000 1.046 19 I HN 0.104 nan 8.210 nan 0.000 0.405 20 Q N 0.288 119.974 119.800 -0.189 0.000 2.376 20 Q HA -0.258 4.082 4.340 -0.000 0.000 0.211 20 Q C 2.208 178.201 176.000 -0.012 0.000 0.986 20 Q CA 1.154 56.938 55.803 -0.032 0.000 0.886 20 Q CB -0.359 28.393 28.738 0.023 0.000 0.927 20 Q HN 0.457 nan 8.270 nan 0.000 0.457 21 R N 0.813 121.283 120.500 -0.051 0.000 2.075 21 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 21 R C 0.836 177.062 176.300 -0.123 0.000 1.126 21 R CA 1.712 57.772 56.100 -0.067 0.000 0.963 21 R CB 0.225 30.485 30.300 -0.067 0.000 0.858 21 R HN 0.232 nan 8.270 nan 0.000 0.435 22 D N -1.302 118.978 120.400 -0.200 0.000 2.389 22 D HA 0.069 4.709 4.640 -0.000 0.000 0.206 22 D C -0.466 175.343 176.300 -0.818 0.000 1.055 22 D CA 0.475 54.179 54.000 -0.492 0.000 0.856 22 D CB 0.501 40.934 40.800 -0.612 0.000 0.957 22 D HN 0.049 nan 8.370 nan 0.000 0.509 23 F N 1.251 121.190 119.950 -0.019 0.000 2.556 23 F HA 0.271 4.798 4.527 -0.000 0.000 0.314 23 F C 0.011 175.892 175.800 0.134 0.000 1.106 23 F CA -1.148 56.888 58.000 0.060 0.000 0.911 23 F CB 1.805 40.844 39.000 0.064 0.000 1.190 23 F HN -0.397 nan 8.300 nan 0.000 0.448 24 D N 1.899 122.484 120.400 0.307 0.000 2.249 24 D HA 0.607 5.247 4.640 -0.000 0.000 0.246 24 D C 0.271 176.752 176.300 0.302 0.000 1.114 24 D CA 0.230 54.382 54.000 0.252 0.000 0.854 24 D CB 1.909 42.791 40.800 0.136 0.000 1.132 24 D HN 0.819 nan 8.370 nan 0.000 0.461 25 G N 0.982 109.973 108.800 0.318 0.000 2.489 25 G HA2 0.458 4.417 3.960 -0.000 0.000 0.305 25 G HA3 0.458 4.417 3.960 -0.000 0.000 0.305 25 G C -1.589 173.394 174.900 0.138 0.000 1.311 25 G CA -0.915 44.245 45.100 0.101 0.000 0.813 25 G HN 0.430 nan 8.290 nan 0.000 0.480 26 K N -0.794 119.586 120.400 -0.034 0.000 2.316 26 K HA 0.762 5.082 4.320 -0.000 0.000 0.251 26 K C 0.153 176.803 176.600 0.085 0.000 0.934 26 K CA -0.536 55.791 56.287 0.067 0.000 0.802 26 K CB 2.243 34.772 32.500 0.049 0.000 1.171 26 K HN 0.901 nan 8.250 nan 0.000 0.426 27 G N 1.010 109.919 108.800 0.182 0.000 2.477 27 G HA2 0.425 4.385 3.960 -0.000 0.000 0.304 27 G HA3 0.425 4.385 3.960 -0.000 0.000 0.304 27 G C -1.285 173.747 174.900 0.220 0.000 1.175 27 G CA -0.476 44.760 45.100 0.226 0.000 0.907 27 G HN 0.731 nan 8.290 nan 0.000 0.509 28 E N -0.585 119.803 120.200 0.314 0.000 2.343 28 E HA 0.492 4.842 4.350 -0.000 0.000 0.286 28 E C -0.259 176.403 176.600 0.104 0.000 0.915 28 E CA -0.806 55.730 56.400 0.227 0.000 0.784 28 E CB 1.524 31.296 29.700 0.120 0.000 1.251 28 E HN 0.769 nan 8.360 nan 0.000 0.407 29 A N 4.272 126.999 122.820 -0.154 0.000 2.386 29 A HA 0.587 4.907 4.320 -0.000 0.000 0.248 29 A C -0.573 176.784 177.584 -0.379 0.000 1.082 29 A CA -0.001 51.574 52.037 -0.771 0.000 0.789 29 A CB 0.323 18.942 19.000 -0.635 0.000 1.025 29 A HN 0.594 nan 8.150 nan 0.000 0.490 30 L N 0.631 121.596 121.223 -0.431 0.000 2.257 30 L HA 0.364 4.704 4.340 -0.000 0.000 0.257 30 L C 1.801 178.557 176.870 -0.190 0.000 1.033 30 L CA -0.058 54.649 54.840 -0.221 0.000 0.835 30 L CB 1.930 43.853 42.059 -0.226 0.000 1.398 30 L HN 0.967 nan 8.230 nan 0.000 0.429 31 S N -0.122 115.522 115.700 -0.093 0.000 2.365 31 S HA -0.165 4.304 4.470 -0.000 0.000 0.225 31 S C 0.689 175.214 174.600 -0.125 0.000 1.039 31 S CA 1.744 59.898 58.200 -0.078 0.000 1.033 31 S CB -0.379 62.808 63.200 -0.020 0.000 0.887 31 S HN 0.761 nan 8.310 nan 0.000 0.447 32 N N 1.212 119.827 118.700 -0.141 0.000 2.642 32 N HA 0.624 5.364 4.740 -0.000 0.000 0.308 32 N C -0.111 175.211 175.510 -0.313 0.000 1.914 32 N CA 0.302 53.215 53.050 -0.229 0.000 0.893 32 N CB 1.456 39.834 38.487 -0.181 0.000 1.322 32 N HN 0.651 nan 8.380 nan 0.000 0.490 33 G N -0.489 108.137 108.800 -0.290 0.000 2.344 33 G HA2 0.227 4.187 3.960 -0.000 0.000 0.282 33 G HA3 0.227 4.187 3.960 -0.000 0.000 0.282 33 G C -2.278 172.457 174.900 -0.275 0.000 1.281 33 G CA -0.644 44.304 45.100 -0.253 0.000 0.877 33 G HN 0.016 nan 8.290 nan 0.000 0.494 34 Y N -0.703 119.492 120.300 -0.175 0.000 2.524 34 Y HA 0.715 5.264 4.550 -0.000 0.000 0.347 34 Y C -0.435 175.419 175.900 -0.077 0.000 1.005 34 Y CA -0.924 57.112 58.100 -0.106 0.000 1.025 34 Y CB 2.448 40.864 38.460 -0.073 0.000 1.275 34 Y HN 0.554 nan 8.280 nan 0.000 0.460 35 L N 5.389 126.716 121.223 0.173 0.000 2.325 35 L HA 0.505 4.845 4.340 -0.000 0.000 0.281 35 L C -1.938 175.060 176.870 0.213 0.000 1.004 35 L CA -0.555 54.363 54.840 0.131 0.000 0.823 35 L CB 0.883 42.931 42.059 -0.019 0.000 1.236 35 L HN 0.665 nan 8.230 nan 0.000 0.415 36 F N 7.040 127.066 119.950 0.128 0.000 2.436 36 F HA 0.613 5.140 4.527 -0.000 0.000 0.340 36 F C -0.888 174.975 175.800 0.106 0.000 1.113 36 F CA -0.818 57.243 58.000 0.102 0.000 1.022 36 F CB 1.256 40.323 39.000 0.112 0.000 1.128 36 F HN 0.478 nan 8.300 nan 0.000 0.466 37 I N 6.039 126.052 120.570 -0.928 0.000 2.499 37 I HA 0.308 4.478 4.170 -0.000 0.000 0.288 37 I C -0.510 175.061 176.117 -0.911 0.000 1.048 37 I CA -0.466 60.403 61.300 -0.719 0.000 1.062 37 I CB 1.382 39.130 38.000 -0.420 0.000 1.238 37 I HN 0.667 nan 8.210 nan 0.000 0.426 38 E N 4.235 124.047 120.200 -0.647 0.000 2.438 38 E HA -0.111 4.239 4.350 -0.000 0.000 0.261 38 E C 0.512 177.017 176.600 -0.158 0.000 1.103 38 E CA 0.198 56.417 56.400 -0.301 0.000 0.959 38 E CB 0.916 30.579 29.700 -0.062 0.000 0.958 38 E HN 0.596 nan 8.360 nan 0.000 0.447 39 Q N 2.078 121.851 119.800 -0.046 0.000 2.065 39 Q HA -0.273 4.067 4.340 -0.000 0.000 0.213 39 Q C 0.767 176.731 176.000 -0.060 0.000 1.012 39 Q CA 2.258 58.048 55.803 -0.022 0.000 0.876 39 Q CB -0.190 28.563 28.738 0.025 0.000 0.954 39 Q HN 0.408 nan 8.270 nan 0.000 0.413 40 N N -0.115 118.543 118.700 -0.071 0.000 2.421 40 N HA 0.194 4.934 4.740 -0.000 0.000 0.201 40 N C -0.756 174.583 175.510 -0.284 0.000 1.198 40 N CA 0.652 53.618 53.050 -0.140 0.000 0.838 40 N CB 0.344 38.786 38.487 -0.075 0.000 1.011 40 N HN 0.315 nan 8.380 nan 0.000 0.463 41 G N -0.442 108.231 108.800 -0.210 0.000 2.372 41 G HA2 0.185 4.145 3.960 -0.000 0.000 0.283 41 G HA3 0.185 4.145 3.960 -0.000 0.000 0.283 41 G C -0.634 174.151 174.900 -0.193 0.000 1.177 41 G CA -0.361 44.636 45.100 -0.172 0.000 0.842 41 G HN 0.309 nan 8.290 nan 0.000 0.503 42 H N 0.780 119.938 119.070 0.146 0.000 2.463 42 H HA 0.489 5.044 4.556 -0.000 0.000 0.332 42 H C -0.768 174.699 175.328 0.231 0.000 1.127 42 H CA -0.040 56.103 56.048 0.158 0.000 1.238 42 H CB 1.868 31.694 29.762 0.106 0.000 1.478 42 H HN 0.687 nan 8.280 nan 0.000 0.499 43 Y N -0.267 120.098 120.300 0.109 0.000 2.641 43 Y HA 0.423 4.973 4.550 -0.000 0.000 0.333 43 Y C -1.878 174.021 175.900 -0.001 0.000 1.174 43 Y CA -0.963 57.156 58.100 0.030 0.000 1.057 43 Y CB 1.304 39.765 38.460 0.003 0.000 1.322 43 Y HN 0.413 nan 8.280 nan 0.000 0.457 44 Q N 2.500 122.181 119.800 -0.198 0.000 2.501 44 Q HA 0.536 4.875 4.340 -0.000 0.000 0.288 44 Q C -1.627 174.207 176.000 -0.276 0.000 1.051 44 Q CA -1.099 54.512 55.803 -0.319 0.000 0.788 44 Q CB 3.711 32.338 28.738 -0.186 0.000 1.469 44 Q HN 0.908 nan 8.270 nan 0.000 0.416 45 K N -1.069 119.126 120.400 -0.342 0.000 2.495 45 K HA 0.863 5.183 4.320 -0.000 0.000 0.268 45 K C -0.920 175.489 176.600 -0.319 0.000 1.008 45 K CA -0.724 55.287 56.287 -0.459 0.000 0.882 45 K CB 1.907 33.985 32.500 -0.703 0.000 1.443 45 K HN 0.868 nan 8.250 nan 0.000 0.447 46 C N -0.883 118.227 119.300 -0.317 0.000 3.302 46 C HA 0.483 4.943 4.460 -0.000 0.000 0.347 46 C C -1.397 173.496 174.990 -0.162 0.000 1.218 46 C CA -0.854 58.051 59.018 -0.188 0.000 1.234 46 C CB 1.449 29.119 27.740 -0.116 0.000 1.551 46 C HN 0.864 nan 8.230 nan 0.000 0.501 47 E N 2.175 122.313 120.200 -0.104 0.000 2.313 47 E HA 0.551 4.901 4.350 -0.000 0.000 0.276 47 E C -0.313 176.268 176.600 -0.033 0.000 1.031 47 E CA 0.183 56.542 56.400 -0.067 0.000 0.857 47 E CB 1.375 31.047 29.700 -0.046 0.000 1.040 47 E HN 0.769 nan 8.360 nan 0.000 0.408 48 M N 1.573 121.163 119.600 -0.017 0.000 2.727 48 M HA 0.108 4.588 4.480 -0.000 0.000 0.300 48 M C 1.412 177.727 176.300 0.025 0.000 1.246 48 M CA -0.830 54.479 55.300 0.015 0.000 0.835 48 M CB 1.647 34.260 32.600 0.022 0.000 1.755 48 M HN 0.312 nan 8.290 nan 0.000 0.473 49 E N 0.743 120.969 120.200 0.043 0.000 2.110 49 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 49 E C 1.250 177.878 176.600 0.047 0.000 0.988 49 E CA 1.707 58.133 56.400 0.043 0.000 0.804 49 E CB -0.342 29.389 29.700 0.051 0.000 0.745 49 E HN 0.467 nan 8.360 nan 0.000 0.458 50 R N 0.841 121.378 120.500 0.060 0.000 2.313 50 R HA 0.296 4.635 4.340 -0.000 0.000 0.199 50 R C 0.500 176.828 176.300 0.048 0.000 0.958 50 R CA 0.765 56.903 56.100 0.064 0.000 1.047 50 R CB 0.318 30.675 30.300 0.095 0.000 0.955 50 R HN 0.448 nan 8.270 nan 0.000 0.481 51 G N -1.927 106.892 108.800 0.032 0.000 2.315 51 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.296 51 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.296 51 G C -1.139 173.766 174.900 0.007 0.000 1.289 51 G CA -0.825 44.294 45.100 0.031 0.000 0.996 51 G HN -0.040 nan 8.290 nan 0.000 0.487 52 T N 1.133 115.704 114.554 0.029 0.000 2.780 52 T HA 0.655 5.004 4.350 -0.000 0.000 0.294 52 T C 0.577 175.228 174.700 -0.082 0.000 0.949 52 T CA 0.731 62.806 62.100 -0.041 0.000 1.074 52 T CB 1.287 70.161 68.868 0.009 0.000 0.910 52 T HN 1.578 nan 8.240 nan 0.000 0.501 53 A N 3.756 126.418 122.820 -0.262 0.000 2.290 53 A HA 0.680 5.000 4.320 -0.000 0.000 0.310 53 A C -1.095 176.111 177.584 -0.630 0.000 1.202 53 A CA -0.616 51.170 52.037 -0.418 0.000 0.837 53 A CB 0.276 19.086 19.000 -0.316 0.000 1.139 53 A HN 0.862 nan 8.150 nan 0.000 0.509 54 Y N 1.887 121.665 120.300 -0.870 0.000 2.364 54 Y HA 0.488 5.037 4.550 -0.000 0.000 0.340 54 Y C -0.076 175.342 175.900 -0.803 0.000 0.975 54 Y CA -0.798 56.795 58.100 -0.846 0.000 1.089 54 Y CB 2.042 39.721 38.460 -1.302 0.000 1.192 54 Y HN 0.515 nan 8.280 nan 0.000 0.454 55 L N 6.339 127.428 121.223 -0.224 0.000 2.318 55 L HA 0.548 4.888 4.340 -0.000 0.000 0.277 55 L C -1.303 175.575 176.870 0.014 0.000 1.008 55 L CA -0.449 54.371 54.840 -0.033 0.000 0.846 55 L CB 0.486 42.587 42.059 0.071 0.000 1.220 55 L HN 0.687 nan 8.230 nan 0.000 0.423 56 I N 5.167 125.712 120.570 -0.041 0.000 2.330 56 I HA 0.685 4.855 4.170 -0.000 0.000 0.289 56 I C 0.771 176.937 176.117 0.082 0.000 1.001 56 I CA -0.136 61.127 61.300 -0.062 0.000 1.193 56 I CB 1.422 39.108 38.000 -0.523 0.000 1.345 56 I HN 0.785 nan 8.210 nan 0.000 0.461 57 G N 4.368 113.276 108.800 0.179 0.000 2.255 57 G HA2 -0.025 3.934 3.960 -0.000 0.000 0.216 57 G HA3 -0.025 3.934 3.960 -0.000 0.000 0.216 57 G C -1.015 174.016 174.900 0.218 0.000 1.307 57 G CA -0.664 44.580 45.100 0.240 0.000 1.162 57 G HN 0.553 nan 8.290 nan 0.000 0.494 58 S N -0.901 114.905 115.700 0.176 0.000 2.595 58 S HA 0.789 5.259 4.470 -0.000 0.000 0.281 58 S C -0.626 173.968 174.600 -0.010 0.000 1.117 58 S CA -0.679 57.576 58.200 0.092 0.000 0.873 58 S CB 1.730 65.016 63.200 0.144 0.000 1.108 58 S HN 0.724 nan 8.310 nan 0.000 0.477 59 L N 1.973 123.182 121.223 -0.023 0.000 2.317 59 L HA 0.475 4.815 4.340 -0.000 0.000 0.281 59 L C -0.391 176.547 176.870 0.113 0.000 1.024 59 L CA -0.684 54.111 54.840 -0.075 0.000 0.810 59 L CB 0.849 42.843 42.059 -0.109 0.000 1.240 59 L HN 0.750 nan 8.230 nan 0.000 0.427 60 Y N 0.445 120.752 120.300 0.012 0.000 2.481 60 Y HA 0.061 4.611 4.550 -0.000 0.000 0.258 60 Y C 1.173 177.074 175.900 0.002 0.000 1.103 60 Y CA -0.601 57.488 58.100 -0.019 0.000 1.287 60 Y CB -0.069 38.347 38.460 -0.073 0.000 1.108 60 Y HN 0.653 nan 8.280 nan 0.000 0.529 61 N N -0.305 118.501 118.700 0.176 0.000 2.553 61 N HA 0.139 4.878 4.740 -0.000 0.000 0.298 61 N C 0.802 176.398 175.510 0.144 0.000 1.596 61 N CA -0.234 52.908 53.050 0.154 0.000 0.910 61 N CB -0.207 38.371 38.487 0.152 0.000 1.336 61 N HN 0.059 nan 8.380 nan 0.000 0.497 62 R N 0.003 120.550 120.500 0.079 0.000 2.103 62 R HA -0.112 4.228 4.340 -0.000 0.000 0.242 62 R C 1.124 177.442 176.300 0.030 0.000 1.142 62 R CA 2.295 58.409 56.100 0.024 0.000 0.960 62 R CB -0.429 29.870 30.300 -0.001 0.000 0.858 62 R HN 0.261 nan 8.270 nan 0.000 0.439 63 T N 0.869 115.460 114.554 0.063 0.000 2.624 63 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 63 T C 1.398 176.140 174.700 0.070 0.000 1.041 63 T CA 1.874 64.012 62.100 0.064 0.000 1.159 63 T CB -0.417 68.499 68.868 0.080 0.000 0.863 63 T HN 0.285 nan 8.240 nan 0.000 0.434 64 F N 1.462 121.413 119.950 0.001 0.000 2.102 64 F HA -0.025 4.502 4.527 -0.000 0.000 0.298 64 F C 1.953 177.735 175.800 -0.030 0.000 1.105 64 F CA 1.158 59.159 58.000 0.002 0.000 1.239 64 F CB -0.410 38.604 39.000 0.023 0.000 0.991 64 F HN 0.056 nan 8.300 nan 0.000 0.474 65 L N 0.125 121.294 121.223 -0.091 0.000 2.046 65 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 65 L C 2.499 179.175 176.870 -0.324 0.000 1.077 65 L CA 1.446 56.153 54.840 -0.221 0.000 0.747 65 L CB -0.766 41.257 42.059 -0.060 0.000 0.896 65 L HN 0.207 nan 8.230 nan 0.000 0.432 66 I N -0.025 120.395 120.570 -0.249 0.000 2.179 66 I HA -0.218 3.951 4.170 -0.000 0.000 0.242 66 I C 2.659 178.547 176.117 -0.382 0.000 1.088 66 I CA 1.500 62.609 61.300 -0.317 0.000 1.357 66 I CB -0.908 36.984 38.000 -0.180 0.000 1.051 66 I HN 0.289 nan 8.210 nan 0.000 0.409 67 G N 0.966 109.604 108.800 -0.270 0.000 2.450 67 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.220 67 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.220 67 G C 1.627 176.316 174.900 -0.351 0.000 1.130 67 G CA 0.782 45.743 45.100 -0.232 0.000 0.760 67 G HN 0.260 nan 8.290 nan 0.000 0.557 68 L N 1.178 122.105 121.223 -0.493 0.000 2.023 68 L HA 0.305 4.645 4.340 -0.000 0.000 0.205 68 L C 3.032 179.544 176.870 -0.597 0.000 1.073 68 L CA 2.206 56.777 54.840 -0.449 0.000 0.745 68 L CB -0.904 40.865 42.059 -0.484 0.000 0.900 68 L HN 0.190 nan 8.230 nan 0.000 0.435 69 A N -0.397 121.944 122.820 -0.798 0.000 1.972 69 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 69 A C 2.269 178.994 177.584 -1.431 0.000 1.169 69 A CA 1.378 52.533 52.037 -1.471 0.000 0.635 69 A CB -1.631 16.847 19.000 -0.871 0.000 0.810 69 A HN 0.564 nan 8.150 nan 0.000 0.446 70 G N -0.653 107.617 108.800 -0.884 0.000 2.498 70 G HA2 -0.056 3.903 3.960 -0.000 0.000 0.219 70 G HA3 -0.056 3.903 3.960 -0.000 0.000 0.219 70 G C 1.309 175.962 174.900 -0.411 0.000 1.119 70 G CA 1.044 45.729 45.100 -0.692 0.000 0.766 70 G HN 0.337 nan 8.290 nan 0.000 0.552 71 V N -0.583 119.100 119.914 -0.385 0.000 2.594 71 V HA -0.088 4.032 4.120 -0.000 0.000 0.253 71 V C 2.023 178.145 176.094 0.046 0.000 1.069 71 V CA 1.949 64.195 62.300 -0.091 0.000 1.082 71 V CB -0.525 31.331 31.823 0.055 0.000 0.680 71 V HN 0.910 nan 8.190 nan 0.000 0.469 72 W N -1.692 119.564 121.300 -0.073 0.000 2.413 72 W HA 0.521 5.181 4.660 -0.000 0.000 0.288 72 W C 0.209 176.692 176.519 -0.060 0.000 0.958 72 W CA -0.267 57.044 57.345 -0.057 0.000 1.333 72 W CB 0.656 30.082 29.460 -0.057 0.000 1.002 72 W HN -0.119 nan 8.180 nan 0.000 0.562 73 E N 1.056 120.969 120.200 -0.478 0.000 2.283 73 E HA 0.264 4.614 4.350 -0.000 0.000 0.258 73 E C 0.978 177.385 176.600 -0.321 0.000 0.893 73 E CA -0.118 56.111 56.400 -0.286 0.000 0.798 73 E CB 1.547 31.081 29.700 -0.277 0.000 1.242 73 E HN 0.177 nan 8.360 nan 0.000 0.414 74 G N 2.676 111.397 108.800 -0.131 0.000 2.470 74 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 74 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 74 G C 0.920 175.778 174.900 -0.070 0.000 1.121 74 G CA 0.389 45.468 45.100 -0.035 0.000 0.766 74 G HN 0.447 nan 8.290 nan 0.000 0.553 75 E N 0.314 120.444 120.200 -0.116 0.000 2.516 75 E HA 0.182 4.532 4.350 -0.000 0.000 0.199 75 E C 2.491 178.975 176.600 -0.193 0.000 1.069 75 E CA 0.149 56.491 56.400 -0.098 0.000 0.876 75 E CB 0.090 29.751 29.700 -0.064 0.000 0.843 75 E HN 0.449 nan 8.360 nan 0.000 0.530 76 A N 0.188 122.771 122.820 -0.395 0.000 2.014 76 A HA -0.140 4.179 4.320 -0.000 0.000 0.218 76 A C 1.362 178.676 177.584 -0.451 0.000 1.163 76 A CA 0.781 52.516 52.037 -0.503 0.000 0.652 76 A CB -0.389 18.154 19.000 -0.763 0.000 0.808 76 A HN 0.251 nan 8.150 nan 0.000 0.449 77 Y N -0.392 119.827 120.300 -0.136 0.000 2.421 77 Y HA 0.073 4.623 4.550 -0.000 0.000 0.292 77 Y C 1.555 177.402 175.900 -0.090 0.000 1.136 77 Y CA 0.802 58.836 58.100 -0.109 0.000 1.255 77 Y CB -0.212 38.190 38.460 -0.097 0.000 0.991 77 Y HN 0.185 nan 8.280 nan 0.000 0.552 78 L N -1.085 120.149 121.223 0.018 0.000 2.906 78 L HA 0.437 4.776 4.340 -0.000 0.000 0.255 78 L C 0.818 177.660 176.870 -0.048 0.000 1.166 78 L CA -0.463 54.372 54.840 -0.007 0.000 0.977 78 L CB -0.020 42.039 42.059 -0.001 0.000 1.313 78 L HN -0.036 nan 8.230 nan 0.000 0.549 79 A N 1.475 124.248 122.820 -0.080 0.000 2.462 79 A HA 0.285 4.605 4.320 -0.000 0.000 0.243 79 A C 0.332 177.864 177.584 -0.086 0.000 1.076 79 A CA -0.289 51.693 52.037 -0.091 0.000 0.773 79 A CB 0.010 18.937 19.000 -0.122 0.000 1.010 79 A HN 0.491 nan 8.150 nan 0.000 0.493 80 N N 1.505 120.154 118.700 -0.085 0.000 2.347 80 N HA 0.091 4.830 4.740 -0.000 0.000 0.253 80 N C 0.149 175.603 175.510 -0.093 0.000 1.274 80 N CA -0.111 52.885 53.050 -0.090 0.000 0.941 80 N CB 0.302 38.728 38.487 -0.102 0.000 1.200 80 N HN 0.500 nan 8.380 nan 0.000 0.514 81 D N -0.361 119.984 120.400 -0.092 0.000 2.116 81 D HA -0.202 4.437 4.640 -0.000 0.000 0.193 81 D C 1.740 177.994 176.300 -0.077 0.000 0.998 81 D CA 2.274 56.217 54.000 -0.095 0.000 0.836 81 D CB -0.781 39.968 40.800 -0.084 0.000 0.951 81 D HN 0.709 nan 8.370 nan 0.000 0.449 82 A N 1.118 123.910 122.820 -0.046 0.000 1.902 82 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 82 A C 2.078 179.684 177.584 0.036 0.000 1.181 82 A CA 1.583 53.644 52.037 0.039 0.000 0.623 82 A CB -0.534 18.431 19.000 -0.057 0.000 0.818 82 A HN 0.259 nan 8.150 nan 0.000 0.443 83 E N -0.665 119.514 120.200 -0.036 0.000 2.106 83 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 83 E C 1.917 178.487 176.600 -0.052 0.000 0.984 83 E CA 1.033 57.412 56.400 -0.036 0.000 0.806 83 E CB -0.286 29.378 29.700 -0.059 0.000 0.750 83 E HN 0.473 nan 8.360 nan 0.000 0.458 84 L N 1.272 122.441 121.223 -0.090 0.000 1.970 84 L HA -0.181 4.158 4.340 -0.000 0.000 0.212 84 L C 2.109 178.901 176.870 -0.129 0.000 1.071 84 L CA 1.686 56.450 54.840 -0.127 0.000 0.751 84 L CB -0.514 41.457 42.059 -0.148 0.000 0.889 84 L HN 0.128 nan 8.230 nan 0.000 0.432 85 L N -0.759 120.352 121.223 -0.186 0.000 2.191 85 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 85 L C 2.572 179.283 176.870 -0.265 0.000 1.103 85 L CA 0.999 55.644 54.840 -0.324 0.000 0.769 85 L CB -0.928 40.754 42.059 -0.627 0.000 0.908 85 L HN 0.407 nan 8.230 nan 0.000 0.438 86 A N 0.104 122.867 122.820 -0.095 0.000 1.969 86 A HA -0.124 4.195 4.320 -0.000 0.000 0.218 86 A C 2.262 179.922 177.584 0.127 0.000 1.169 86 A CA 1.108 53.181 52.037 0.061 0.000 0.635 86 A CB -0.435 18.632 19.000 0.113 0.000 0.810 86 A HN 0.343 nan 8.150 nan 0.000 0.445 87 L N -0.710 120.570 121.223 0.095 0.000 2.027 87 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 87 L C 2.530 179.580 176.870 0.300 0.000 1.074 87 L CA 1.079 56.039 54.840 0.199 0.000 0.745 87 L CB -0.473 41.667 42.059 0.135 0.000 0.898 87 L HN 0.381 nan 8.230 nan 0.000 0.433 88 L N -1.523 119.827 121.223 0.212 0.000 2.093 88 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 88 L C 2.534 179.466 176.870 0.104 0.000 1.085 88 L CA 1.174 56.137 54.840 0.206 0.000 0.755 88 L CB -0.555 41.557 42.059 0.089 0.000 0.904 88 L HN 0.168 nan 8.230 nan 0.000 0.435 89 F N 1.494 121.407 119.950 -0.061 0.000 2.069 89 F HA -0.287 4.240 4.527 -0.000 0.000 0.298 89 F C 2.790 178.573 175.800 -0.028 0.000 1.113 89 F CA 2.235 60.198 58.000 -0.061 0.000 1.214 89 F CB -0.368 38.593 39.000 -0.066 0.000 0.978 89 F HN 0.137 nan 8.300 nan 0.000 0.474 90 T N -2.005 112.669 114.554 0.200 0.000 2.951 90 T HA -0.122 4.227 4.350 -0.000 0.000 0.268 90 T C 1.929 176.564 174.700 -0.107 0.000 1.073 90 T CA 1.229 63.370 62.100 0.068 0.000 1.134 90 T CB -0.281 68.674 68.868 0.145 0.000 0.884 90 T HN 0.195 nan 8.240 nan 0.000 0.479 91 R N 0.692 121.094 120.500 -0.164 0.000 2.156 91 R HA 0.410 4.750 4.340 -0.000 0.000 0.207 91 R C 1.566 177.642 176.300 -0.373 0.000 1.040 91 R CA 0.759 56.619 56.100 -0.400 0.000 1.013 91 R CB -0.353 29.420 30.300 -0.877 0.000 0.931 91 R HN 0.478 nan 8.270 nan 0.000 0.465 92 L N -0.158 120.908 121.223 -0.262 0.000 3.069 92 L HA 0.463 4.803 4.340 -0.000 0.000 0.271 92 L C 0.286 177.032 176.870 -0.207 0.000 1.201 92 L CA -0.163 54.551 54.840 -0.209 0.000 1.015 92 L CB 0.848 42.830 42.059 -0.128 0.000 1.371 92 L HN 0.371 nan 8.230 nan 0.000 0.574 93 G N 0.294 108.911 108.800 -0.305 0.000 2.846 93 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.660 93 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.660 93 G C 0.785 175.446 174.900 -0.398 0.000 1.464 93 G CA -0.197 44.649 45.100 -0.423 0.000 0.891 93 G HN 0.194 nan 8.290 nan 0.000 0.552 94 A N 0.180 122.730 122.820 -0.449 0.000 1.986 94 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 94 A C 2.288 179.862 177.584 -0.015 0.000 1.171 94 A CA 2.552 54.526 52.037 -0.104 0.000 0.640 94 A CB -0.516 18.516 19.000 0.055 0.000 0.811 94 A HN 0.935 nan 8.150 nan 0.000 0.451 95 N N 0.479 119.142 118.700 -0.063 0.000 2.192 95 N HA -0.140 4.600 4.740 -0.000 0.000 0.188 95 N C 1.690 177.190 175.510 -0.017 0.000 1.013 95 N CA 1.529 54.557 53.050 -0.037 0.000 0.863 95 N CB -0.539 37.914 38.487 -0.056 0.000 0.990 95 N HN 0.511 nan 8.380 nan 0.000 0.430 96 A N -0.081 122.724 122.820 -0.025 0.000 2.070 96 A HA -0.046 4.274 4.320 -0.000 0.000 0.220 96 A C 1.849 179.455 177.584 0.037 0.000 1.159 96 A CA 0.806 52.848 52.037 0.008 0.000 0.656 96 A CB -0.402 18.599 19.000 0.001 0.000 0.800 96 A HN 0.160 nan 8.150 nan 0.000 0.453 97 L N -0.875 120.374 121.223 0.044 0.000 2.465 97 L HA 0.033 4.373 4.340 -0.000 0.000 0.224 97 L C 2.594 179.554 176.870 0.150 0.000 1.145 97 L CA 1.222 56.104 54.840 0.069 0.000 0.834 97 L CB -0.533 41.576 42.059 0.083 0.000 0.944 97 L HN 0.381 nan 8.230 nan 0.000 0.451 98 A N -1.137 121.735 122.820 0.086 0.000 2.167 98 A HA 0.001 4.320 4.320 -0.000 0.000 0.214 98 A C 2.091 179.657 177.584 -0.030 0.000 1.151 98 A CA 0.689 52.748 52.037 0.036 0.000 0.735 98 A CB -0.495 18.476 19.000 -0.049 0.000 0.802 98 A HN 0.397 nan 8.150 nan 0.000 0.467 99 L N -0.721 120.534 121.223 0.053 0.000 2.395 99 L HA 0.089 4.428 4.340 -0.000 0.000 0.218 99 L C 1.447 178.463 176.870 0.243 0.000 1.130 99 L CA 0.156 55.064 54.840 0.112 0.000 0.826 99 L CB -0.400 41.800 42.059 0.234 0.000 0.941 99 L HN 0.386 nan 8.230 nan 0.000 0.451 100 A N 0.586 123.554 122.820 0.246 0.000 2.354 100 A HA 0.414 4.734 4.320 -0.000 0.000 0.269 100 A C -0.141 177.721 177.584 0.464 0.000 1.109 100 A CA -0.259 51.919 52.037 0.235 0.000 0.800 100 A CB 0.310 19.266 19.000 -0.073 0.000 1.045 100 A HN 0.235 nan 8.150 nan 0.000 0.489 101 E N 0.126 120.499 120.200 0.289 0.000 2.212 101 E HA 0.657 5.007 4.350 -0.000 0.000 0.268 101 E C 0.006 176.616 176.600 0.016 0.000 0.902 101 E CA -0.299 56.226 56.400 0.208 0.000 0.779 101 E CB 2.140 31.870 29.700 0.050 0.000 1.172 101 E HN 1.228 nan 8.360 nan 0.000 0.409 102 G N 1.780 110.436 108.800 -0.241 0.000 2.347 102 G HA2 -0.046 3.913 3.960 -0.000 0.000 0.321 102 G HA3 -0.046 3.913 3.960 -0.000 0.000 0.321 102 G C -1.445 173.255 174.900 -0.335 0.000 1.412 102 G CA -0.815 43.624 45.100 -1.101 0.000 0.990 102 G HN 0.651 nan 8.290 nan 0.000 0.637 103 D N -0.165 120.019 120.400 -0.361 0.000 2.994 103 D HA 0.401 5.041 4.640 -0.000 0.000 0.240 103 D C 0.336 176.719 176.300 0.138 0.000 1.195 103 D CA -0.357 53.674 54.000 0.051 0.000 0.957 103 D CB -0.652 40.231 40.800 0.139 0.000 1.105 103 D HN 0.510 nan 8.370 nan 0.000 0.477 104 F N -0.928 119.060 119.950 0.063 0.000 2.572 104 F HA 0.716 5.243 4.527 -0.000 0.000 0.342 104 F C -0.846 175.061 175.800 0.178 0.000 1.064 104 F CA -1.678 56.381 58.000 0.099 0.000 1.008 104 F CB 1.500 40.529 39.000 0.048 0.000 1.303 104 F HN 0.052 nan 8.300 nan 0.000 0.492 105 C N 3.087 122.628 119.300 0.400 0.000 2.716 105 C HA 0.620 5.080 4.460 -0.000 0.000 0.366 105 C C -1.646 173.599 174.990 0.425 0.000 1.073 105 C CA -0.850 58.380 59.018 0.353 0.000 1.260 105 C CB -0.115 27.807 27.740 0.303 0.000 1.755 105 C HN 0.827 nan 8.230 nan 0.000 0.475 106 F N 7.788 127.956 119.950 0.362 0.000 2.444 106 F HA 0.857 5.383 4.527 -0.000 0.000 0.342 106 F C -0.759 175.170 175.800 0.214 0.000 1.121 106 F CA -0.659 57.448 58.000 0.178 0.000 0.997 106 F CB 0.957 40.067 39.000 0.183 0.000 1.130 106 F HN 0.631 nan 8.300 nan 0.000 0.454 107 F N 5.491 125.116 119.950 -0.541 0.000 2.619 107 F HA 0.724 5.251 4.527 -0.000 0.000 0.308 107 F C -2.037 173.482 175.800 -0.469 0.000 1.097 107 F CA -1.949 55.839 58.000 -0.354 0.000 0.953 107 F CB 0.856 39.801 39.000 -0.092 0.000 1.287 107 F HN 0.246 nan 8.300 nan 0.000 0.446 108 I N 2.508 123.086 120.570 0.014 0.000 2.362 108 I HA 0.237 4.407 4.170 -0.000 0.000 0.289 108 I C -0.865 175.364 176.117 0.188 0.000 0.994 108 I CA -0.565 60.733 61.300 -0.003 0.000 1.158 108 I CB 1.445 39.383 38.000 -0.103 0.000 1.315 108 I HN 0.580 nan 8.210 nan 0.000 0.451 109 D N 7.772 128.323 120.400 0.253 0.000 2.422 109 D HA 0.116 4.756 4.640 -0.000 0.000 0.227 109 D C -0.178 176.193 176.300 0.119 0.000 1.190 109 D CA -0.144 53.973 54.000 0.195 0.000 0.905 109 D CB 0.528 41.476 40.800 0.247 0.000 1.034 109 D HN 0.433 nan 8.370 nan 0.000 0.507 110 E N 3.769 124.023 120.200 0.090 0.000 2.313 110 E HA 0.179 4.529 4.350 -0.000 0.000 0.272 110 E C -1.715 174.922 176.600 0.060 0.000 1.038 110 E CA -1.809 54.635 56.400 0.072 0.000 0.863 110 E CB 0.915 30.660 29.700 0.075 0.000 1.060 110 E HN 0.225 nan 8.360 nan 0.000 0.402 111 P HA -0.238 nan 4.420 nan 0.000 0.216 111 P C 0.900 178.223 177.300 0.037 0.000 1.154 111 P CA 1.327 64.448 63.100 0.036 0.000 0.865 111 P CB -0.012 31.707 31.700 0.032 0.000 0.789 112 N N -0.852 117.877 118.700 0.048 0.000 2.626 112 N HA -0.067 4.673 4.740 -0.000 0.000 0.193 112 N C 1.342 176.894 175.510 0.071 0.000 1.213 112 N CA 1.395 54.477 53.050 0.053 0.000 0.914 112 N CB -1.133 37.388 38.487 0.058 0.000 0.994 112 N HN 0.267 nan 8.380 nan 0.000 0.447 113 G N -0.295 108.549 108.800 0.074 0.000 2.234 113 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.260 113 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.260 113 G C -0.203 174.788 174.900 0.151 0.000 0.987 113 G CA 0.251 45.421 45.100 0.116 0.000 0.625 113 G HN 0.529 nan 8.290 nan 0.000 0.532 114 E N -0.098 120.169 120.200 0.112 0.000 2.373 114 E HA 0.476 4.826 4.350 -0.000 0.000 0.267 114 E C -0.464 176.182 176.600 0.077 0.000 1.032 114 E CA -0.469 55.988 56.400 0.096 0.000 0.889 114 E CB 1.287 31.038 29.700 0.085 0.000 0.984 114 E HN 0.176 nan 8.360 nan 0.000 0.425 115 L N 2.808 124.061 121.223 0.051 0.000 2.287 115 L HA 0.242 4.582 4.340 -0.000 0.000 0.287 115 L C -0.559 176.351 176.870 0.067 0.000 1.022 115 L CA -0.017 54.842 54.840 0.033 0.000 0.814 115 L CB 1.826 43.850 42.059 -0.058 0.000 1.217 115 L HN 0.366 nan 8.230 nan 0.000 0.420 116 T N 4.523 119.143 114.554 0.110 0.000 2.770 116 T HA 0.493 4.843 4.350 -0.000 0.000 0.297 116 T C -0.776 174.046 174.700 0.204 0.000 0.997 116 T CA -0.222 61.969 62.100 0.151 0.000 0.949 116 T CB 1.026 69.987 68.868 0.156 0.000 0.941 116 T HN 0.392 nan 8.240 nan 0.000 0.457 117 V N 5.659 125.722 119.914 0.249 0.000 2.604 117 V HA 0.719 4.839 4.120 -0.000 0.000 0.305 117 V C -1.139 175.197 176.094 0.404 0.000 1.043 117 V CA -0.978 61.525 62.300 0.338 0.000 0.888 117 V CB 1.465 33.461 31.823 0.289 0.000 0.995 117 V HN 0.852 nan 8.190 nan 0.000 0.429 118 I N 5.888 126.734 120.570 0.460 0.000 2.418 118 I HA 0.414 4.584 4.170 -0.000 0.000 0.287 118 I C 0.225 176.583 176.117 0.401 0.000 1.008 118 I CA -0.388 61.167 61.300 0.425 0.000 1.104 118 I CB 2.370 40.644 38.000 0.457 0.000 1.264 118 I HN 0.827 nan 8.210 nan 0.000 0.438 119 T N 1.763 116.506 114.554 0.315 0.000 2.882 119 T HA 0.423 4.773 4.350 -0.000 0.000 0.287 119 T C -0.040 174.641 174.700 -0.032 0.000 0.992 119 T CA -0.956 61.237 62.100 0.156 0.000 1.076 119 T CB 1.179 70.157 68.868 0.184 0.000 0.961 119 T HN 0.550 nan 8.240 nan 0.000 0.490 120 E N 1.606 121.572 120.200 -0.391 0.000 2.438 120 E HA 0.201 4.551 4.350 -0.000 0.000 0.261 120 E C 0.549 177.068 176.600 -0.136 0.000 1.103 120 E CA -0.333 55.718 56.400 -0.581 0.000 0.959 120 E CB 0.190 29.337 29.700 -0.921 0.000 0.958 120 E HN 0.643 nan 8.360 nan 0.000 0.447 121 S N 1.318 117.015 115.700 -0.005 0.000 2.618 121 S HA 0.267 4.736 4.470 -0.000 0.000 0.242 121 S C 0.586 175.179 174.600 -0.011 0.000 0.972 121 S CA -0.708 57.500 58.200 0.014 0.000 1.004 121 S CB 0.012 63.216 63.200 0.006 0.000 0.778 121 S HN 0.457 nan 8.310 nan 0.000 0.459 122 R N -0.071 120.365 120.500 -0.107 0.000 2.576 122 R HA 0.342 4.682 4.340 -0.000 0.000 0.237 122 R C 1.282 177.391 176.300 -0.319 0.000 0.917 122 R CA 0.805 56.744 56.100 -0.268 0.000 1.002 122 R CB 0.329 30.291 30.300 -0.564 0.000 1.428 122 R HN 0.590 nan 8.270 nan 0.000 0.603 123 G N 0.648 109.302 108.800 -0.244 0.000 2.159 123 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.170 123 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.170 123 G C 0.644 175.524 174.900 -0.034 0.000 1.007 123 G CA -0.098 44.941 45.100 -0.103 0.000 0.672 123 G HN 0.262 nan 8.290 nan 0.000 0.507 124 F N 0.990 120.978 119.950 0.063 0.000 2.325 124 F HA 0.280 4.807 4.527 -0.000 0.000 0.299 124 F C 1.875 177.700 175.800 0.042 0.000 1.090 124 F CA 1.367 59.419 58.000 0.087 0.000 1.392 124 F CB 0.488 39.527 39.000 0.065 0.000 1.053 124 F HN 0.302 nan 8.300 nan 0.000 0.521 125 S N 0.492 116.304 115.700 0.186 0.000 2.279 125 S HA 0.353 4.823 4.470 -0.000 0.000 0.176 125 S C -2.740 171.950 174.600 0.151 0.000 1.554 125 S CA -1.641 56.661 58.200 0.169 0.000 1.242 125 S CB 0.119 63.433 63.200 0.189 0.000 1.163 125 S HN -0.253 nan 8.310 nan 0.000 0.449 126 P HA 0.239 nan 4.420 nan 0.000 0.271 126 P C -1.061 176.338 177.300 0.165 0.000 1.220 126 P CA -0.279 62.909 63.100 0.148 0.000 0.768 126 P CB 0.937 32.764 31.700 0.211 0.000 0.848 127 V N 4.563 124.517 119.914 0.067 0.000 2.540 127 V HA 0.340 4.460 4.120 -0.000 0.000 0.302 127 V C -0.302 175.747 176.094 -0.074 0.000 1.035 127 V CA -0.481 61.849 62.300 0.050 0.000 0.873 127 V CB 1.416 33.279 31.823 0.066 0.000 0.992 127 V HN 0.581 nan 8.190 nan 0.000 0.428 128 H N 1.867 120.906 119.070 -0.051 0.000 2.670 128 H HA 0.742 5.298 4.556 -0.000 0.000 0.361 128 H C -0.716 174.565 175.328 -0.077 0.000 1.169 128 H CA -0.626 55.385 56.048 -0.063 0.000 1.198 128 H CB 2.149 31.881 29.762 -0.049 0.000 1.700 128 H HN 0.392 nan 8.280 nan 0.000 0.542 129 V N 3.231 123.165 119.914 0.033 0.000 2.326 129 V HA 0.253 4.373 4.120 -0.000 0.000 0.281 129 V C -0.602 175.496 176.094 0.006 0.000 1.015 129 V CA -0.661 61.637 62.300 -0.003 0.000 0.823 129 V CB 1.210 32.990 31.823 -0.072 0.000 1.009 129 V HN 0.462 nan 8.190 nan 0.000 0.436 130 V N 4.474 124.410 119.914 0.037 0.000 2.427 130 V HA 0.393 4.513 4.120 -0.000 0.000 0.286 130 V C 0.037 176.142 176.094 0.018 0.000 1.034 130 V CA -0.671 61.617 62.300 -0.019 0.000 0.893 130 V CB 1.797 33.577 31.823 -0.073 0.000 0.982 130 V HN 0.880 nan 8.190 nan 0.000 0.452 131 Q N 3.533 123.282 119.800 -0.084 0.000 2.503 131 Q HA 0.526 4.866 4.340 -0.000 0.000 0.227 131 Q C 0.261 176.188 176.000 -0.121 0.000 1.109 131 Q CA 0.223 55.987 55.803 -0.065 0.000 0.922 131 Q CB 0.711 29.384 28.738 -0.108 0.000 1.249 131 Q HN 0.905 nan 8.270 nan 0.000 0.530 132 G N 2.113 110.936 108.800 0.038 0.000 3.075 132 G HA2 0.127 4.087 3.960 -0.000 0.000 0.156 132 G HA3 0.127 4.087 3.960 -0.000 0.000 0.156 132 G C 0.182 175.132 174.900 0.084 0.000 1.403 132 G CA -0.392 44.714 45.100 0.010 0.000 1.033 132 G HN 0.560 nan 8.290 nan 0.000 0.589 133 K N -0.144 120.341 120.400 0.141 0.000 2.148 133 K HA 0.047 4.367 4.320 -0.000 0.000 0.204 133 K C 0.666 177.342 176.600 0.127 0.000 1.050 133 K CA 0.979 57.342 56.287 0.127 0.000 0.942 133 K CB -0.018 32.558 32.500 0.128 0.000 0.724 133 K HN 0.137 nan 8.250 nan 0.000 0.446 134 K N -0.421 120.090 120.400 0.186 0.000 2.395 134 K HA 0.499 4.819 4.320 -0.000 0.000 0.245 134 K C -1.255 175.396 176.600 0.084 0.000 1.017 134 K CA -0.883 55.444 56.287 0.066 0.000 0.852 134 K CB 1.999 34.437 32.500 -0.104 0.000 1.311 134 K HN -0.085 nan 8.250 nan 0.000 0.452 135 A N 1.038 123.858 122.820 -0.001 0.000 2.320 135 A HA 0.443 4.762 4.320 -0.000 0.000 0.287 135 A C -1.547 175.967 177.584 -0.116 0.000 1.181 135 A CA -0.265 51.794 52.037 0.037 0.000 0.831 135 A CB -0.165 18.881 19.000 0.077 0.000 1.102 135 A HN 0.550 nan 8.150 nan 0.000 0.513 136 W N 1.514 122.799 121.300 -0.025 0.000 2.736 136 W HA 0.630 5.290 4.660 -0.000 0.000 0.335 136 W C -0.028 176.451 176.519 -0.067 0.000 1.059 136 W CA -0.449 56.869 57.345 -0.045 0.000 1.226 136 W CB 1.852 31.267 29.460 -0.076 0.000 1.416 136 W HN 0.602 nan 8.180 nan 0.000 0.505 137 M N 4.014 123.701 119.600 0.145 0.000 2.134 137 M HA 0.583 5.063 4.480 -0.000 0.000 0.310 137 M C -0.943 175.348 176.300 -0.014 0.000 0.966 137 M CA 0.133 55.459 55.300 0.044 0.000 0.922 137 M CB 1.401 33.996 32.600 -0.007 0.000 1.537 137 M HN 0.415 nan 8.290 nan 0.000 0.424 138 T N 1.735 116.236 114.554 -0.088 0.000 2.864 138 T HA 0.443 4.793 4.350 -0.000 0.000 0.299 138 T C -0.171 174.361 174.700 -0.281 0.000 1.166 138 T CA -0.658 61.265 62.100 -0.296 0.000 1.007 138 T CB 1.161 69.917 68.868 -0.186 0.000 1.219 138 T HN 0.832 nan 8.240 nan 0.000 0.506 139 N N 0.993 119.425 118.700 -0.447 0.000 2.214 139 N HA 0.188 4.928 4.740 -0.000 0.000 0.214 139 N C -0.456 175.047 175.510 -0.012 0.000 1.132 139 N CA -0.374 52.608 53.050 -0.113 0.000 0.856 139 N CB 0.780 39.253 38.487 -0.024 0.000 1.020 139 N HN 0.291 nan 8.380 nan 0.000 0.509 140 S N 0.536 116.137 115.700 -0.167 0.000 2.609 140 S HA 0.342 4.812 4.470 -0.000 0.000 0.250 140 S C 0.671 175.113 174.600 -0.265 0.000 1.112 140 S CA -0.659 57.410 58.200 -0.218 0.000 1.102 140 S CB -0.089 62.887 63.200 -0.373 0.000 1.124 140 S HN 0.159 nan 8.310 nan 0.000 0.460 141 L N 4.451 125.531 121.223 -0.239 0.000 2.127 141 L HA -0.148 4.192 4.340 -0.000 0.000 0.211 141 L C 2.635 179.333 176.870 -0.286 0.000 1.089 141 L CA 1.655 56.330 54.840 -0.275 0.000 0.757 141 L CB -0.416 41.481 42.059 -0.270 0.000 0.899 141 L HN 0.714 nan 8.230 nan 0.000 0.434 142 K N 0.598 120.820 120.400 -0.296 0.000 2.147 142 K HA -0.161 4.159 4.320 -0.000 0.000 0.205 142 K C 1.947 178.340 176.600 -0.346 0.000 1.049 142 K CA 1.262 57.390 56.287 -0.265 0.000 0.936 142 K CB -0.457 31.897 32.500 -0.244 0.000 0.722 142 K HN 0.298 nan 8.250 nan 0.000 0.446 143 L N 1.425 122.343 121.223 -0.507 0.000 2.079 143 L HA -0.178 4.161 4.340 -0.000 0.000 0.210 143 L C 2.496 179.048 176.870 -0.529 0.000 1.081 143 L CA 0.926 55.436 54.840 -0.550 0.000 0.752 143 L CB -0.612 41.170 42.059 -0.461 0.000 0.896 143 L HN 0.029 nan 8.230 nan 0.000 0.433 144 V N -0.678 118.893 119.914 -0.571 0.000 2.427 144 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 144 V C 2.534 178.284 176.094 -0.572 0.000 1.051 144 V CA 2.211 64.019 62.300 -0.820 0.000 1.048 144 V CB -0.633 30.771 31.823 -0.697 0.000 0.666 144 V HN 0.468 nan 8.190 nan 0.000 0.456 145 T N 0.419 114.770 114.554 -0.338 0.000 2.777 145 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 145 T C 2.076 176.686 174.700 -0.150 0.000 1.040 145 T CA 1.488 63.474 62.100 -0.191 0.000 1.141 145 T CB -0.391 68.426 68.868 -0.084 0.000 0.868 145 T HN 0.557 nan 8.240 nan 0.000 0.444 146 A N 1.103 123.853 122.820 -0.117 0.000 2.024 146 A HA 0.123 4.443 4.320 -0.000 0.000 0.220 146 A C 2.462 179.971 177.584 -0.126 0.000 1.164 146 A CA 1.870 53.883 52.037 -0.039 0.000 0.643 146 A CB -0.746 18.344 19.000 0.150 0.000 0.806 146 A HN 0.521 nan 8.150 nan 0.000 0.451 147 A N -0.831 121.831 122.820 -0.264 0.000 1.924 147 A HA 0.084 4.403 4.320 -0.000 0.000 0.211 147 A C 1.790 179.285 177.584 -0.148 0.000 1.198 147 A CA 1.086 52.977 52.037 -0.243 0.000 0.657 147 A CB -0.078 18.643 19.000 -0.465 0.000 0.852 147 A HN 0.521 nan 8.150 nan 0.000 0.454 148 E N -1.121 118.957 120.200 -0.203 0.000 2.489 148 E HA 0.393 4.743 4.350 -0.000 0.000 0.204 148 E C 0.571 177.140 176.600 -0.052 0.000 1.006 148 E CA 0.265 56.615 56.400 -0.085 0.000 0.936 148 E CB 0.604 30.254 29.700 -0.083 0.000 1.002 148 E HN 0.629 nan 8.360 nan 0.000 0.488 149 G N 1.938 110.696 108.800 -0.069 0.000 2.440 149 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.684 149 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.684 149 G C 0.098 174.989 174.900 -0.014 0.000 1.309 149 G CA -0.208 44.875 45.100 -0.029 0.000 0.931 149 G HN 0.116 nan 8.290 nan 0.000 0.612 150 E N -0.615 119.588 120.200 0.006 0.000 2.273 150 E HA -0.061 4.289 4.350 -0.000 0.000 0.198 150 E C 2.095 178.731 176.600 0.061 0.000 1.002 150 E CA 2.170 58.586 56.400 0.027 0.000 0.828 150 E CB -0.434 29.278 29.700 0.020 0.000 0.747 150 E HN 0.959 nan 8.360 nan 0.000 0.491 151 G N -0.680 108.162 108.800 0.071 0.000 3.126 151 G HA2 0.205 4.165 3.960 -0.000 0.000 0.224 151 G HA3 0.205 4.165 3.960 -0.000 0.000 0.224 151 G C 1.340 176.368 174.900 0.213 0.000 1.142 151 G CA 0.324 45.506 45.100 0.136 0.000 0.759 151 G HN 0.327 nan 8.290 nan 0.000 0.550 152 A N 0.710 123.576 122.820 0.078 0.000 1.884 152 A HA 0.027 4.346 4.320 -0.000 0.000 0.219 152 A C 1.231 178.746 177.584 -0.114 0.000 1.197 152 A CA 0.702 52.723 52.037 -0.028 0.000 0.637 152 A CB -0.400 18.509 19.000 -0.151 0.000 0.827 152 A HN 0.341 nan 8.150 nan 0.000 0.450 153 L N -0.422 120.741 121.223 -0.100 0.000 2.292 153 L HA 0.256 4.596 4.340 -0.000 0.000 0.284 153 L C -0.956 175.845 176.870 -0.115 0.000 1.065 153 L CA -0.724 53.935 54.840 -0.302 0.000 0.806 153 L CB 0.768 42.544 42.059 -0.472 0.000 1.175 153 L HN 0.419 nan 8.230 nan 0.000 0.431 154 W N 3.529 124.551 121.300 -0.464 0.000 2.329 154 W HA 0.439 5.099 4.660 -0.000 0.000 0.312 154 W C -0.520 175.760 176.519 -0.399 0.000 1.054 154 W CA -1.347 55.820 57.345 -0.297 0.000 1.245 154 W CB 0.317 29.688 29.460 -0.147 0.000 1.255 154 W HN 0.155 nan 8.180 nan 0.000 0.436 155 F N 1.532 121.603 119.950 0.202 0.000 2.379 155 F HA 0.265 4.792 4.527 -0.000 0.000 0.332 155 F C 0.990 176.889 175.800 0.165 0.000 1.096 155 F CA -0.916 57.184 58.000 0.166 0.000 1.105 155 F CB 0.901 39.964 39.000 0.105 0.000 1.189 155 F HN 0.165 nan 8.300 nan 0.000 0.515 156 E N 1.422 121.846 120.200 0.373 0.000 2.374 156 E HA 0.099 4.448 4.350 -0.000 0.000 0.260 156 E C -0.605 176.174 176.600 0.297 0.000 1.101 156 E CA -0.402 56.144 56.400 0.244 0.000 0.907 156 E CB 0.512 30.297 29.700 0.141 0.000 1.014 156 E HN 0.324 nan 8.360 nan 0.000 0.427 157 E N 2.005 122.318 120.200 0.188 0.000 2.414 157 E HA -0.084 4.266 4.350 -0.000 0.000 0.263 157 E C 0.754 177.480 176.600 0.211 0.000 1.000 157 E CA 0.424 56.928 56.400 0.173 0.000 0.914 157 E CB 0.544 30.304 29.700 0.100 0.000 0.948 157 E HN 0.687 nan 8.360 nan 0.000 0.444 158 E N 2.412 122.776 120.200 0.273 0.000 2.204 158 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 158 E C 1.513 178.179 176.600 0.110 0.000 0.990 158 E CA 1.194 57.763 56.400 0.283 0.000 0.821 158 E CB -0.066 29.834 29.700 0.332 0.000 0.750 158 E HN 0.446 nan 8.360 nan 0.000 0.477 159 A N 1.468 124.340 122.820 0.087 0.000 1.969 159 A HA -0.051 4.268 4.320 -0.000 0.000 0.218 159 A C 2.203 179.801 177.584 0.024 0.000 1.169 159 A CA 0.972 53.039 52.037 0.049 0.000 0.635 159 A CB -0.429 18.597 19.000 0.044 0.000 0.810 159 A HN 0.267 nan 8.150 nan 0.000 0.445 160 L N -1.188 120.050 121.223 0.025 0.000 2.168 160 L HA -0.051 4.289 4.340 -0.000 0.000 0.203 160 L C 2.394 179.239 176.870 -0.042 0.000 1.078 160 L CA 0.471 55.314 54.840 0.005 0.000 0.780 160 L CB -0.592 41.485 42.059 0.030 0.000 0.939 160 L HN 0.209 nan 8.230 nan 0.000 0.451 161 V N 0.204 120.068 119.914 -0.083 0.000 2.245 161 V HA -0.261 3.859 4.120 -0.000 0.000 0.233 161 V C 1.289 177.262 176.094 -0.202 0.000 1.028 161 V CA 1.260 63.420 62.300 -0.232 0.000 0.991 161 V CB -0.601 30.819 31.823 -0.671 0.000 0.640 161 V HN 0.646 nan 8.190 nan 0.000 0.461 162 C N 2.165 121.362 119.300 -0.172 0.000 2.423 162 C HA 0.491 4.951 4.460 -0.000 0.000 0.378 162 C C 0.875 175.866 174.990 0.003 0.000 1.068 162 C CA -0.003 58.994 59.018 -0.034 0.000 1.371 162 C CB -2.031 25.737 27.740 0.047 0.000 1.856 162 C HN 0.839 nan 8.230 nan 0.000 0.523 163 Q N 1.212 121.003 119.800 -0.015 0.000 2.452 163 Q HA 0.182 4.522 4.340 -0.000 0.000 0.190 163 Q C 0.699 176.697 176.000 -0.003 0.000 0.710 163 Q CA -0.143 55.659 55.803 -0.002 0.000 0.917 163 Q CB -0.163 28.566 28.738 -0.014 0.000 1.282 163 Q HN 0.480 nan 8.270 nan 0.000 0.447 164 S N -0.186 115.489 115.700 -0.042 0.000 2.632 164 S HA 0.482 4.952 4.470 -0.000 0.000 0.271 164 S C 0.513 175.110 174.600 -0.005 0.000 1.260 164 S CA -0.657 57.520 58.200 -0.038 0.000 1.010 164 S CB 0.771 63.917 63.200 -0.089 0.000 0.965 164 S HN 0.402 nan 8.310 nan 0.000 0.534 165 L N 1.551 122.796 121.223 0.037 0.000 2.701 165 L HA 0.337 4.677 4.340 -0.000 0.000 0.238 165 L C -0.259 176.728 176.870 0.196 0.000 1.106 165 L CA 0.015 54.924 54.840 0.116 0.000 0.898 165 L CB 0.173 42.280 42.059 0.080 0.000 1.188 165 L HN 0.419 nan 8.230 nan 0.000 0.508 166 M N 0.945 120.607 119.600 0.105 0.000 2.167 166 M HA 0.432 4.912 4.480 -0.000 0.000 0.333 166 M C -0.485 175.820 176.300 0.010 0.000 1.030 166 M CA 0.107 55.499 55.300 0.154 0.000 0.963 166 M CB 1.519 34.179 32.600 0.101 0.000 1.589 166 M HN 0.036 nan 8.290 nan 0.000 0.431 167 R N 0.794 121.309 120.500 0.024 0.000 2.888 167 R HA 0.919 5.259 4.340 -0.000 0.000 0.264 167 R C -0.503 175.808 176.300 0.018 0.000 1.045 167 R CA -1.054 54.860 56.100 -0.310 0.000 0.962 167 R CB 1.618 31.231 30.300 -1.145 0.000 1.210 167 R HN 0.751 nan 8.270 nan 0.000 0.479 168 A N 0.695 123.525 122.820 0.017 0.000 2.332 168 A HA 0.104 4.423 4.320 -0.000 0.000 0.258 168 A C 0.251 177.977 177.584 0.238 0.000 1.087 168 A CA -0.301 51.894 52.037 0.262 0.000 0.802 168 A CB 0.147 19.247 19.000 0.166 0.000 1.042 168 A HN 0.877 nan 8.150 nan 0.000 0.489 169 D N -0.224 120.355 120.400 0.297 0.000 2.371 169 D HA -0.077 4.563 4.640 -0.000 0.000 0.234 169 D C 1.005 177.388 176.300 0.139 0.000 1.049 169 D CA 1.213 55.302 54.000 0.148 0.000 0.907 169 D CB -0.594 40.127 40.800 -0.131 0.000 0.891 169 D HN 0.453 nan 8.370 nan 0.000 0.531 170 T N -4.866 109.760 114.554 0.120 0.000 3.040 170 T HA 0.094 4.444 4.350 -0.000 0.000 0.266 170 T C 0.307 175.024 174.700 0.029 0.000 1.005 170 T CA -0.780 61.350 62.100 0.051 0.000 0.906 170 T CB -0.773 68.117 68.868 0.037 0.000 1.082 170 T HN 0.152 nan 8.240 nan 0.000 0.531 171 Y N 2.784 123.044 120.300 -0.066 0.000 2.511 171 Y HA 0.454 5.003 4.550 -0.000 0.000 0.332 171 Y C 0.159 176.048 175.900 -0.019 0.000 1.177 171 Y CA 0.386 58.415 58.100 -0.118 0.000 1.422 171 Y CB 0.765 39.042 38.460 -0.305 0.000 1.271 171 Y HN 0.185 nan 8.280 nan 0.000 0.550 172 T N 7.278 121.248 114.554 -0.973 0.000 2.956 172 T HA 0.347 4.697 4.350 -0.000 0.000 0.312 172 T C -2.386 171.742 174.700 -0.954 0.000 1.151 172 T CA -1.673 60.062 62.100 -0.609 0.000 1.024 172 T CB 1.753 70.583 68.868 -0.063 0.000 1.140 172 T HN 0.546 nan 8.240 nan 0.000 0.473 173 P HA 0.158 nan 4.420 nan 0.000 0.241 173 P C 0.223 177.480 177.300 -0.072 0.000 1.191 173 P CA 0.075 62.964 63.100 -0.352 0.000 0.771 173 P CB 0.124 31.627 31.700 -0.327 0.000 0.929 174 V N 2.125 121.966 119.914 -0.123 0.000 2.405 174 V HA 0.087 4.207 4.120 -0.000 0.000 0.264 174 V C 1.752 177.748 176.094 -0.163 0.000 1.048 174 V CA 0.064 62.246 62.300 -0.196 0.000 0.966 174 V CB 0.595 32.262 31.823 -0.260 0.000 1.015 174 V HN 0.011 nan 8.190 nan 0.000 0.477 175 K N 3.445 123.788 120.400 -0.095 0.000 2.057 175 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 175 K C 1.402 177.945 176.600 -0.095 0.000 1.049 175 K CA 1.498 57.764 56.287 -0.035 0.000 0.931 175 K CB -0.067 32.496 32.500 0.106 0.000 0.714 175 K HN 0.817 nan 8.250 nan 0.000 0.440 176 N N 0.507 119.075 118.700 -0.219 0.000 2.375 176 N HA 0.076 4.816 4.740 -0.000 0.000 0.220 176 N C -0.537 174.795 175.510 -0.296 0.000 1.170 176 N CA 0.014 52.830 53.050 -0.390 0.000 0.833 176 N CB 0.494 38.423 38.487 -0.929 0.000 1.069 176 N HN 0.006 nan 8.380 nan 0.000 0.479 177 A N -0.122 122.581 122.820 -0.194 0.000 2.532 177 A HA 0.632 4.952 4.320 -0.000 0.000 0.290 177 A C -1.269 176.273 177.584 -0.070 0.000 1.143 177 A CA -0.740 51.225 52.037 -0.119 0.000 0.728 177 A CB 1.886 20.827 19.000 -0.098 0.000 1.317 177 A HN 0.276 nan 8.150 nan 0.000 0.414 178 Q N 0.525 120.304 119.800 -0.034 0.000 2.323 178 Q HA 0.511 4.851 4.340 -0.000 0.000 0.271 178 Q C -1.024 174.909 176.000 -0.112 0.000 1.048 178 Q CA -0.617 55.143 55.803 -0.072 0.000 0.792 178 Q CB 1.696 30.376 28.738 -0.097 0.000 1.280 178 Q HN 0.751 nan 8.270 nan 0.000 0.441 179 R N 4.867 125.249 120.500 -0.196 0.000 2.202 179 R HA 0.337 4.676 4.340 -0.000 0.000 0.334 179 R C -0.609 175.532 176.300 -0.265 0.000 1.036 179 R CA -0.295 55.547 56.100 -0.429 0.000 0.878 179 R CB 0.436 30.527 30.300 -0.347 0.000 1.067 179 R HN 0.654 nan 8.270 nan 0.000 0.457 180 L N 4.415 125.458 121.223 -0.300 0.000 2.453 180 L HA 0.125 4.465 4.340 -0.000 0.000 0.272 180 L C 0.739 177.551 176.870 -0.097 0.000 1.182 180 L CA 0.139 54.801 54.840 -0.295 0.000 0.858 180 L CB 0.539 42.265 42.059 -0.554 0.000 1.120 180 L HN 0.542 nan 8.230 nan 0.000 0.474 181 K N 4.785 125.232 120.400 0.080 0.000 2.416 181 K HA 0.161 4.481 4.320 -0.000 0.000 0.283 181 K C -2.298 174.390 176.600 0.147 0.000 1.037 181 K CA -1.363 54.998 56.287 0.122 0.000 0.995 181 K CB 0.707 33.296 32.500 0.148 0.000 0.938 181 K HN 0.204 nan 8.250 nan 0.000 0.475 182 P HA 0.021 nan 4.420 nan 0.000 0.268 182 P C -0.536 176.795 177.300 0.052 0.000 1.205 182 P CA 0.475 63.603 63.100 0.047 0.000 0.771 182 P CB 0.804 32.501 31.700 -0.005 0.000 0.858 183 G N 1.419 110.250 108.800 0.052 0.000 2.351 183 G HA2 0.067 4.026 3.960 -0.000 0.000 0.297 183 G HA3 0.067 4.026 3.960 -0.000 0.000 0.297 183 G C 0.016 174.933 174.900 0.028 0.000 1.054 183 G CA 0.088 45.211 45.100 0.039 0.000 1.123 183 G HN 0.788 nan 8.290 nan 0.000 0.512 184 A N -1.305 121.534 122.820 0.031 0.000 2.602 184 A HA 0.959 5.278 4.320 -0.000 0.000 0.290 184 A C -0.380 177.057 177.584 -0.245 0.000 1.114 184 A CA 0.024 51.992 52.037 -0.116 0.000 0.683 184 A CB 2.002 20.898 19.000 -0.174 0.000 1.281 184 A HN 1.855 nan 8.150 nan 0.000 0.416 185 V N 1.736 121.450 119.914 -0.334 0.000 2.483 185 V HA 0.693 4.813 4.120 -0.000 0.000 0.295 185 V C -1.164 174.645 176.094 -0.475 0.000 1.035 185 V CA -0.387 61.781 62.300 -0.220 0.000 0.896 185 V CB 1.270 33.094 31.823 0.002 0.000 0.986 185 V HN 0.868 nan 8.190 nan 0.000 0.447 186 H N 4.699 123.824 119.070 0.093 0.000 2.600 186 H HA 0.545 5.101 4.556 -0.000 0.000 0.357 186 H C -0.948 174.404 175.328 0.040 0.000 1.106 186 H CA -0.481 55.589 56.048 0.036 0.000 1.193 186 H CB 2.092 31.864 29.762 0.018 0.000 1.594 186 H HN 0.578 nan 8.280 nan 0.000 0.526 187 V N 4.823 124.797 119.914 0.100 0.000 2.407 187 V HA 0.219 4.338 4.120 -0.000 0.000 0.291 187 V C -1.109 174.983 176.094 -0.004 0.000 1.018 187 V CA -0.755 61.583 62.300 0.064 0.000 0.842 187 V CB 0.949 32.810 31.823 0.063 0.000 0.996 187 V HN 0.430 nan 8.190 nan 0.000 0.426 188 L N 7.819 129.027 121.223 -0.025 0.000 2.334 188 L HA 0.464 4.803 4.340 -0.000 0.000 0.286 188 L C 0.950 177.727 176.870 -0.154 0.000 1.108 188 L CA 0.732 55.499 54.840 -0.123 0.000 0.875 188 L CB 0.571 42.564 42.059 -0.111 0.000 1.246 188 L HN 0.937 nan 8.230 nan 0.000 0.439 189 T N -0.807 113.629 114.554 -0.197 0.000 2.937 189 T HA 0.727 5.077 4.350 -0.000 0.000 0.283 189 T C -0.383 174.041 174.700 -0.459 0.000 1.012 189 T CA -0.730 61.292 62.100 -0.129 0.000 0.997 189 T CB 1.415 70.303 68.868 0.033 0.000 1.136 189 T HN 0.449 nan 8.240 nan 0.000 0.551 190 H N 0.074 119.110 119.070 -0.056 0.000 2.856 190 H HA 0.482 5.038 4.556 -0.000 0.000 0.355 190 H C -0.697 174.638 175.328 0.012 0.000 1.079 190 H CA -0.711 55.309 56.048 -0.047 0.000 1.240 190 H CB 1.277 30.952 29.762 -0.144 0.000 1.701 190 H HN 0.889 nan 8.280 nan 0.000 0.527 191 D N 0.104 120.570 120.400 0.109 0.000 2.414 191 D HA 0.036 4.675 4.640 -0.000 0.000 0.259 191 D C 1.305 177.647 176.300 0.071 0.000 1.269 191 D CA -0.128 53.910 54.000 0.065 0.000 1.028 191 D CB 0.306 41.124 40.800 0.030 0.000 1.093 191 D HN 0.434 nan 8.370 nan 0.000 0.545 192 S N -1.294 114.433 115.700 0.045 0.000 2.420 192 S HA -0.206 4.264 4.470 -0.000 0.000 0.237 192 S C 1.160 175.776 174.600 0.026 0.000 1.023 192 S CA 0.876 59.097 58.200 0.034 0.000 0.991 192 S CB -0.445 62.769 63.200 0.024 0.000 0.792 192 S HN 0.493 nan 8.310 nan 0.000 0.488 193 E N 0.775 120.999 120.200 0.040 0.000 2.444 193 E HA 0.280 4.629 4.350 -0.000 0.000 0.191 193 E C 1.277 177.760 176.600 -0.196 0.000 1.041 193 E CA 0.427 56.807 56.400 -0.032 0.000 0.883 193 E CB -0.022 29.719 29.700 0.067 0.000 1.024 193 E HN 0.694 nan 8.360 nan 0.000 0.470 194 G N 0.970 109.727 108.800 -0.072 0.000 2.159 194 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.256 194 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.256 194 G C -0.123 174.759 174.900 -0.029 0.000 0.977 194 G CA 0.041 45.110 45.100 -0.051 0.000 0.652 194 G HN 0.218 nan 8.290 nan 0.000 0.531 195 Y N 1.416 121.785 120.300 0.115 0.000 2.319 195 Y HA 0.535 5.084 4.550 -0.000 0.000 0.328 195 Y C 1.181 177.097 175.900 0.026 0.000 1.133 195 Y CA -0.158 57.992 58.100 0.084 0.000 1.265 195 Y CB 1.315 39.797 38.460 0.036 0.000 1.218 195 Y HN 0.241 nan 8.280 nan 0.000 0.508 196 S N 3.950 119.732 115.700 0.137 0.000 2.549 196 S HA 0.338 4.808 4.470 -0.000 0.000 0.283 196 S C -1.079 173.507 174.600 -0.023 0.000 1.320 196 S CA -0.223 57.847 58.200 -0.216 0.000 1.058 196 S CB -0.185 62.928 63.200 -0.144 0.000 0.882 196 S HN 0.477 nan 8.310 nan 0.000 0.498 197 F N 5.066 124.827 119.950 -0.315 0.000 2.730 197 F HA 0.456 4.983 4.527 -0.001 0.000 0.335 197 F C -1.093 174.613 175.800 -0.157 0.000 1.212 197 F CA -0.810 57.088 58.000 -0.170 0.000 1.016 197 F CB 1.204 40.137 39.000 -0.112 0.000 1.290 197 F HN 0.436 nan 8.300 nan 0.000 0.495 198 V N 5.274 124.807 119.914 -0.635 0.000 2.498 198 V HA 0.338 4.457 4.120 -0.000 0.000 0.279 198 V C -0.394 175.339 176.094 -0.601 0.000 1.048 198 V CA -0.550 61.469 62.300 -0.468 0.000 0.967 198 V CB 1.296 32.948 31.823 -0.284 0.000 0.988 198 V HN 0.653 nan 8.190 nan 0.000 0.473 199 E N 3.244 123.268 120.200 -0.292 0.000 2.102 199 E HA 0.493 4.843 4.350 -0.000 0.000 0.263 199 E C -0.860 175.700 176.600 -0.067 0.000 0.894 199 E CA -0.321 55.968 56.400 -0.184 0.000 0.746 199 E CB 1.594 31.265 29.700 -0.047 0.000 1.129 199 E HN 0.638 nan 8.360 nan 0.000 0.416 200 S N 2.618 118.283 115.700 -0.057 0.000 2.578 200 S HA 0.591 5.061 4.470 -0.000 0.000 0.301 200 S C -0.316 174.231 174.600 -0.088 0.000 1.091 200 S CA -0.812 57.354 58.200 -0.057 0.000 1.032 200 S CB 1.826 65.081 63.200 0.091 0.000 1.064 200 S HN 0.403 nan 8.310 nan 0.000 0.508 201 R N 0.781 121.189 120.500 -0.153 0.000 2.548 201 R HA 0.321 4.660 4.340 -0.000 0.000 0.280 201 R C -0.984 175.253 176.300 -0.104 0.000 1.061 201 R CA -0.299 55.746 56.100 -0.091 0.000 0.915 201 R CB 1.785 32.047 30.300 -0.063 0.000 1.210 201 R HN 0.685 nan 8.270 nan 0.000 0.442 202 T N 3.207 117.727 114.554 -0.056 0.000 2.916 202 T HA 0.193 4.543 4.350 -0.000 0.000 0.303 202 T C 1.319 175.994 174.700 -0.041 0.000 1.025 202 T CA -0.119 61.956 62.100 -0.041 0.000 1.142 202 T CB 0.446 69.306 68.868 -0.014 0.000 0.947 202 T HN 0.535 nan 8.240 nan 0.000 0.544 203 L N 3.787 124.988 121.223 -0.037 0.000 2.529 203 L HA 0.227 4.567 4.340 -0.000 0.000 0.223 203 L C 0.985 177.830 176.870 -0.041 0.000 1.113 203 L CA 0.085 54.906 54.840 -0.033 0.000 0.861 203 L CB -0.014 42.036 42.059 -0.014 0.000 1.012 203 L HN 0.750 nan 8.230 nan 0.000 0.461 204 T N -2.688 111.841 114.554 -0.043 0.000 2.991 204 T HA 0.413 4.763 4.350 -0.000 0.000 0.303 204 T C -0.128 174.546 174.700 -0.044 0.000 1.015 204 T CA -0.692 61.375 62.100 -0.055 0.000 1.007 204 T CB 1.877 70.696 68.868 -0.081 0.000 1.034 204 T HN 0.045 nan 8.240 nan 0.000 0.446 205 T N 0.735 115.263 114.554 -0.044 0.000 2.899 205 T HA 0.645 4.994 4.350 -0.000 0.000 0.284 205 T C -2.396 172.275 174.700 -0.048 0.000 1.004 205 T CA -1.495 60.584 62.100 -0.035 0.000 1.043 205 T CB -0.378 68.472 68.868 -0.029 0.000 1.013 205 T HN 0.499 nan 8.240 nan 0.000 0.518 206 P HA 0.385 nan 4.420 nan 0.000 0.264 206 P C -0.437 176.825 177.300 -0.064 0.000 1.193 206 P CA -0.248 62.820 63.100 -0.054 0.000 0.763 206 P CB 0.028 31.713 31.700 -0.025 0.000 0.810 207 A N 2.965 125.711 122.820 -0.124 0.000 2.332 207 A HA 0.371 4.691 4.320 -0.000 0.000 0.258 207 A C 0.770 178.366 177.584 0.020 0.000 1.087 207 A CA -0.258 51.724 52.037 -0.092 0.000 0.802 207 A CB 0.046 18.924 19.000 -0.203 0.000 1.042 207 A HN 0.540 nan 8.150 nan 0.000 0.489 208 S N 0.213 115.945 115.700 0.053 0.000 2.566 208 S HA 0.028 4.497 4.470 -0.000 0.000 0.280 208 S C 0.624 175.309 174.600 0.142 0.000 1.343 208 S CA -0.151 58.095 58.200 0.076 0.000 1.036 208 S CB -0.053 63.177 63.200 0.051 0.000 0.866 208 S HN 0.645 nan 8.310 nan 0.000 0.526 209 N N 1.681 120.431 118.700 0.083 0.000 2.204 209 N HA 0.105 4.844 4.740 -0.000 0.000 0.219 209 N C -0.735 174.763 175.510 -0.020 0.000 1.151 209 N CA -0.134 52.932 53.050 0.027 0.000 0.867 209 N CB 0.393 38.890 38.487 0.017 0.000 1.043 209 N HN 0.572 nan 8.380 nan 0.000 0.516 210 Q N 0.979 120.782 119.800 0.004 0.000 2.297 210 Q HA 0.158 4.498 4.340 -0.000 0.000 0.267 210 Q C 0.169 176.161 176.000 -0.012 0.000 1.006 210 Q CA -0.388 55.412 55.803 -0.005 0.000 0.896 210 Q CB 1.068 29.813 28.738 0.012 0.000 1.186 210 Q HN 0.104 nan 8.270 nan 0.000 0.392 211 L N 2.361 123.561 121.223 -0.038 0.000 2.615 211 L HA -0.106 4.234 4.340 -0.000 0.000 0.284 211 L C 0.501 177.391 176.870 0.033 0.000 1.237 211 L CA 0.807 55.618 54.840 -0.048 0.000 0.905 211 L CB -0.265 41.712 42.059 -0.137 0.000 1.149 211 L HN 0.442 nan 8.230 nan 0.000 0.499 212 L N 4.298 125.564 121.223 0.071 0.000 2.259 212 L HA 0.423 4.763 4.340 -0.000 0.000 0.288 212 L C 0.444 177.429 176.870 0.191 0.000 1.051 212 L CA -0.482 54.424 54.840 0.110 0.000 0.824 212 L CB 0.830 42.946 42.059 0.096 0.000 1.206 212 L HN 0.821 nan 8.230 nan 0.000 0.429 213 A N 6.004 128.927 122.820 0.172 0.000 3.168 213 A HA 0.228 4.548 4.320 -0.000 0.000 0.260 213 A C -0.222 177.452 177.584 0.150 0.000 1.598 213 A CA -0.478 51.670 52.037 0.184 0.000 1.285 213 A CB -0.426 18.655 19.000 0.135 0.000 1.149 213 A HN 0.612 nan 8.150 nan 0.000 0.630 214 L N 2.858 124.189 121.223 0.181 0.000 2.418 214 L HA 0.328 4.668 4.340 -0.000 0.000 0.274 214 L C -1.784 175.171 176.870 0.142 0.000 1.135 214 L CA -1.601 53.311 54.840 0.120 0.000 0.870 214 L CB 0.216 42.316 42.059 0.068 0.000 1.154 214 L HN 0.309 nan 8.230 nan 0.000 0.462 215 P HA -0.046 nan 4.420 nan 0.000 0.269 215 P C 0.256 177.610 177.300 0.091 0.000 1.211 215 P CA -0.090 63.068 63.100 0.096 0.000 0.781 215 P CB 0.581 32.313 31.700 0.054 0.000 0.877 216 R N 1.467 122.041 120.500 0.124 0.000 2.082 216 R HA -0.178 4.162 4.340 -0.000 0.000 0.234 216 R C 2.106 178.419 176.300 0.023 0.000 1.136 216 R CA 1.886 58.044 56.100 0.096 0.000 0.935 216 R CB -0.334 30.051 30.300 0.142 0.000 0.842 216 R HN 0.500 nan 8.270 nan 0.000 0.430 217 E N -0.400 119.818 120.200 0.030 0.000 2.049 217 E HA -0.179 4.171 4.350 -0.000 0.000 0.198 217 E C -0.762 175.833 176.600 -0.010 0.000 1.007 217 E CA 1.695 58.104 56.400 0.015 0.000 0.809 217 E CB -0.736 28.975 29.700 0.019 0.000 0.749 217 E HN 0.446 nan 8.360 nan 0.000 0.450 218 P HA -0.153 nan 4.420 nan 0.000 0.217 218 P C 1.556 178.817 177.300 -0.064 0.000 1.150 218 P CA 0.879 63.961 63.100 -0.031 0.000 0.832 218 P CB 0.004 31.697 31.700 -0.012 0.000 0.787 219 L N -0.851 120.325 121.223 -0.078 0.000 1.989 219 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 219 L C 2.225 179.013 176.870 -0.136 0.000 1.071 219 L CA 1.761 56.522 54.840 -0.132 0.000 0.749 219 L CB -0.739 41.164 42.059 -0.259 0.000 0.890 219 L HN -0.045 nan 8.230 nan 0.000 0.431 220 L N -0.659 120.503 121.223 -0.102 0.000 2.131 220 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 220 L C 2.771 179.576 176.870 -0.108 0.000 1.092 220 L CA 1.052 55.846 54.840 -0.077 0.000 0.759 220 L CB -0.727 41.348 42.059 0.026 0.000 0.903 220 L HN 0.329 nan 8.230 nan 0.000 0.435 221 A N 0.175 122.938 122.820 -0.096 0.000 1.898 221 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 221 A C 2.244 179.689 177.584 -0.232 0.000 1.181 221 A CA 1.193 53.161 52.037 -0.115 0.000 0.620 221 A CB -0.588 18.362 19.000 -0.084 0.000 0.819 221 A HN 0.334 nan 8.150 nan 0.000 0.442 222 L N -0.584 120.477 121.223 -0.269 0.000 2.046 222 L HA -0.184 4.155 4.340 -0.000 0.000 0.208 222 L C 2.495 179.049 176.870 -0.527 0.000 1.077 222 L CA 1.270 55.822 54.840 -0.479 0.000 0.747 222 L CB -0.555 41.340 42.059 -0.272 0.000 0.896 222 L HN 0.376 nan 8.230 nan 0.000 0.432 223 I N 0.015 120.391 120.570 -0.323 0.000 2.179 223 I HA -0.317 3.853 4.170 -0.000 0.000 0.242 223 I C 2.222 178.030 176.117 -0.515 0.000 1.088 223 I CA 1.654 62.751 61.300 -0.338 0.000 1.357 223 I CB -0.298 37.452 38.000 -0.418 0.000 1.051 223 I HN 0.296 nan 8.210 nan 0.000 0.409 224 D N 0.691 120.761 120.400 -0.550 0.000 2.117 224 D HA -0.236 4.404 4.640 -0.000 0.000 0.197 224 D C 2.346 178.543 176.300 -0.173 0.000 0.987 224 D CA 1.278 55.086 54.000 -0.321 0.000 0.829 224 D CB -0.004 40.790 40.800 -0.009 0.000 0.961 224 D HN 0.067 nan 8.370 nan 0.000 0.460 225 R N -1.186 119.160 120.500 -0.256 0.000 2.073 225 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 225 R C 1.938 178.160 176.300 -0.129 0.000 1.134 225 R CA 1.299 57.261 56.100 -0.230 0.000 0.952 225 R CB -0.349 29.719 30.300 -0.387 0.000 0.850 225 R HN 0.290 nan 8.270 nan 0.000 0.433 226 Y N 0.640 120.886 120.300 -0.089 0.000 2.373 226 Y HA -0.070 4.480 4.550 -0.000 0.000 0.293 226 Y C 2.081 177.912 175.900 -0.115 0.000 1.129 226 Y CA 0.537 58.581 58.100 -0.093 0.000 1.226 226 Y CB -0.374 38.031 38.460 -0.091 0.000 1.000 226 Y HN 0.075 nan 8.280 nan 0.000 0.549 227 L N -0.397 120.815 121.223 -0.019 0.000 2.179 227 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 227 L C 1.848 178.688 176.870 -0.050 0.000 1.096 227 L CA 0.913 55.688 54.840 -0.108 0.000 0.779 227 L CB -0.281 41.660 42.059 -0.198 0.000 0.922 227 L HN 0.258 nan 8.230 nan 0.000 0.443 228 N N -0.024 118.669 118.700 -0.013 0.000 2.376 228 N HA -0.022 4.717 4.740 -0.000 0.000 0.177 228 N C 1.903 177.360 175.510 -0.089 0.000 1.024 228 N CA 0.995 54.032 53.050 -0.021 0.000 0.893 228 N CB 0.183 38.723 38.487 0.089 0.000 0.980 228 N HN 0.210 nan 8.380 nan 0.000 0.439 229 A N 2.495 125.305 122.820 -0.016 0.000 1.884 229 A HA -0.142 4.177 4.320 -0.000 0.000 0.219 229 A C -0.243 177.321 177.584 -0.033 0.000 1.197 229 A CA 1.651 53.691 52.037 0.004 0.000 0.637 229 A CB -1.620 17.426 19.000 0.077 0.000 0.827 229 A HN 0.199 nan 8.150 nan 0.000 0.450 230 P HA -0.132 nan 4.420 nan 0.000 0.213 230 P C 1.353 178.611 177.300 -0.070 0.000 1.170 230 P CA 0.860 63.934 63.100 -0.043 0.000 0.898 230 P CB -0.142 31.530 31.700 -0.046 0.000 0.787 231 L N -0.106 121.041 121.223 -0.127 0.000 2.081 231 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 231 L C 2.165 178.797 176.870 -0.396 0.000 1.080 231 L CA 1.848 56.562 54.840 -0.211 0.000 0.754 231 L CB -1.675 40.141 42.059 -0.405 0.000 0.893 231 L HN 0.085 nan 8.230 nan 0.000 0.433 232 E N -1.091 118.865 120.200 -0.406 0.000 2.204 232 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 232 E C 1.663 178.203 176.600 -0.100 0.000 0.989 232 E CA 1.165 57.420 56.400 -0.242 0.000 0.824 232 E CB -0.124 29.507 29.700 -0.116 0.000 0.756 232 E HN 0.571 nan 8.360 nan 0.000 0.477 233 D N 0.506 120.873 120.400 -0.055 0.000 2.137 233 D HA -0.061 4.578 4.640 -0.000 0.000 0.202 233 D C 1.738 178.066 176.300 0.047 0.000 0.970 233 D CA 0.627 54.632 54.000 0.008 0.000 0.837 233 D CB 0.155 40.974 40.800 0.032 0.000 0.981 233 D HN 0.044 nan 8.370 nan 0.000 0.475 234 L N 0.001 121.273 121.223 0.082 0.000 2.395 234 L HA 0.132 4.472 4.340 -0.000 0.000 0.218 234 L C 2.365 179.400 176.870 0.275 0.000 1.130 234 L CA 0.417 55.406 54.840 0.248 0.000 0.826 234 L CB -0.235 42.022 42.059 0.330 0.000 0.941 234 L HN 0.085 nan 8.230 nan 0.000 0.451 235 A N 1.109 123.921 122.820 -0.013 0.000 1.859 235 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 235 A C 0.022 177.602 177.584 -0.007 0.000 1.198 235 A CA 1.746 53.678 52.037 -0.175 0.000 0.629 235 A CB -1.816 17.052 19.000 -0.221 0.000 0.830 235 A HN 0.249 nan 8.150 nan 0.000 0.446 236 P HA -0.183 nan 4.420 nan 0.000 0.216 236 P C 0.537 177.827 177.300 -0.017 0.000 1.167 236 P CA 1.794 64.887 63.100 -0.012 0.000 0.914 236 P CB -0.140 31.547 31.700 -0.020 0.000 0.793 237 R N -1.575 118.901 120.500 -0.040 0.000 2.553 237 R HA 0.442 4.782 4.340 -0.000 0.000 0.263 237 R C -0.605 175.669 176.300 -0.043 0.000 1.066 237 R CA -0.856 55.111 56.100 -0.222 0.000 1.135 237 R CB -0.209 29.767 30.300 -0.539 0.000 1.148 237 R HN -0.088 nan 8.270 nan 0.000 0.558 238 F N -0.121 119.883 119.950 0.090 0.000 2.099 238 F HA -0.176 4.351 4.527 -0.000 0.000 0.440 238 F C 0.188 176.107 175.800 0.198 0.000 1.200 238 F CA 0.308 58.379 58.000 0.118 0.000 1.429 238 F CB -0.913 38.157 39.000 0.117 0.000 2.257 238 F HN 0.781 nan 8.300 nan 0.000 0.732 239 D N 0.763 121.343 120.400 0.301 0.000 2.327 239 D HA 0.050 4.690 4.640 -0.000 0.000 0.205 239 D C 0.824 177.284 176.300 0.267 0.000 0.989 239 D CA 1.227 55.379 54.000 0.253 0.000 0.873 239 D CB 0.445 41.334 40.800 0.148 0.000 0.955 239 D HN 0.447 nan 8.370 nan 0.000 0.515 240 T N 0.361 115.040 114.554 0.209 0.000 2.863 240 T HA 0.489 4.838 4.350 -0.000 0.000 0.285 240 T C -0.648 174.021 174.700 -0.051 0.000 1.009 240 T CA -0.597 61.561 62.100 0.097 0.000 0.989 240 T CB 3.044 71.958 68.868 0.078 0.000 1.004 240 T HN -0.255 nan 8.240 nan 0.000 0.455 241 V N 1.809 121.595 119.914 -0.213 0.000 2.760 241 V HA 0.841 4.960 4.120 -0.000 0.000 0.309 241 V C 0.079 176.038 176.094 -0.225 0.000 1.077 241 V CA -0.349 61.699 62.300 -0.420 0.000 0.910 241 V CB 1.818 33.035 31.823 -1.011 0.000 1.008 241 V HN 1.050 nan 8.190 nan 0.000 0.424 242 G N 5.456 114.146 108.800 -0.183 0.000 2.448 242 G HA2 0.695 4.655 3.960 -0.000 0.000 0.285 242 G HA3 0.695 4.655 3.960 -0.000 0.000 0.285 242 G C -0.945 173.943 174.900 -0.019 0.000 1.176 242 G CA -0.488 44.604 45.100 -0.014 0.000 0.852 242 G HN 0.805 nan 8.290 nan 0.000 0.530 243 I N 1.564 122.212 120.570 0.129 0.000 2.599 243 I HA 0.204 4.373 4.170 -0.000 0.000 0.285 243 I C -2.644 173.592 176.117 0.199 0.000 1.168 243 I CA -1.787 59.581 61.300 0.113 0.000 1.060 243 I CB 3.277 41.333 38.000 0.093 0.000 1.249 243 I HN 0.221 nan 8.210 nan 0.000 0.442 244 P HA 0.154 nan 4.420 nan 0.000 0.269 244 P C -0.607 176.801 177.300 0.181 0.000 1.263 244 P CA 0.109 63.308 63.100 0.164 0.000 0.813 244 P CB 0.398 32.156 31.700 0.096 0.000 0.868 245 L N 3.437 124.793 121.223 0.221 0.000 2.276 245 L HA 0.223 4.562 4.340 -0.000 0.000 0.286 245 L C 1.162 178.159 176.870 0.211 0.000 1.061 245 L CA 0.121 55.082 54.840 0.201 0.000 0.807 245 L CB 1.258 43.441 42.059 0.207 0.000 1.177 245 L HN 0.357 nan 8.230 nan 0.000 0.429 246 S N 1.230 117.029 115.700 0.166 0.000 2.540 246 S HA 0.180 4.650 4.470 -0.000 0.000 0.222 246 S C 1.163 175.860 174.600 0.160 0.000 1.008 246 S CA 0.316 58.613 58.200 0.162 0.000 0.939 246 S CB 0.724 63.987 63.200 0.105 0.000 0.865 246 S HN 1.031 nan 8.310 nan 0.000 0.499 247 G N 0.795 109.680 108.800 0.142 0.000 2.184 247 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.264 247 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.264 247 G C 0.615 175.547 174.900 0.052 0.000 0.975 247 G CA 0.077 45.268 45.100 0.152 0.000 0.642 247 G HN 1.143 nan 8.290 nan 0.000 0.536 248 G N -0.765 108.043 108.800 0.013 0.000 2.651 248 G HA2 0.488 4.448 3.960 -0.000 0.000 0.260 248 G HA3 0.488 4.448 3.960 -0.000 0.000 0.260 248 G C 1.210 176.092 174.900 -0.029 0.000 1.216 248 G CA 0.086 45.154 45.100 -0.053 0.000 0.913 248 G HN 0.641 nan 8.290 nan 0.000 0.535 249 L N -0.290 120.897 121.223 -0.059 0.000 1.976 249 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 249 L C 2.089 178.967 176.870 0.013 0.000 1.071 249 L CA 2.474 57.282 54.840 -0.053 0.000 0.746 249 L CB -0.960 41.039 42.059 -0.101 0.000 0.890 249 L HN 0.576 nan 8.230 nan 0.000 0.432 250 D N 0.045 120.453 120.400 0.013 0.000 2.084 250 D HA -0.165 4.475 4.640 -0.000 0.000 0.194 250 D C 2.243 178.664 176.300 0.203 0.000 0.990 250 D CA 1.815 55.873 54.000 0.095 0.000 0.826 250 D CB -0.164 40.561 40.800 -0.126 0.000 0.971 250 D HN 0.500 nan 8.370 nan 0.000 0.453 251 S N 0.881 116.660 115.700 0.132 0.000 2.383 251 S HA -0.125 4.345 4.470 -0.000 0.000 0.229 251 S C 2.225 176.912 174.600 0.144 0.000 1.030 251 S CA 1.293 59.587 58.200 0.157 0.000 1.002 251 S CB -0.391 62.884 63.200 0.125 0.000 0.829 251 S HN 0.055 nan 8.310 nan 0.000 0.467 252 S N 2.056 117.820 115.700 0.107 0.000 2.368 252 S HA 0.083 4.553 4.470 -0.000 0.000 0.224 252 S C 1.736 176.392 174.600 0.093 0.000 1.029 252 S CA 0.997 59.248 58.200 0.084 0.000 0.988 252 S CB -0.607 62.624 63.200 0.052 0.000 0.838 252 S HN 0.449 nan 8.310 nan 0.000 0.462 253 L N 2.087 123.380 121.223 0.117 0.000 2.131 253 L HA -0.015 4.325 4.340 -0.000 0.000 0.210 253 L C 2.037 179.001 176.870 0.157 0.000 1.092 253 L CA 1.497 56.414 54.840 0.129 0.000 0.759 253 L CB -0.627 41.548 42.059 0.193 0.000 0.903 253 L HN 0.122 nan 8.230 nan 0.000 0.435 254 V N -0.841 119.193 119.914 0.199 0.000 2.453 254 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 254 V C 2.439 178.625 176.094 0.153 0.000 1.048 254 V CA 2.035 64.446 62.300 0.183 0.000 1.049 254 V CB -0.961 30.994 31.823 0.221 0.000 0.672 254 V HN 0.530 nan 8.190 nan 0.000 0.457 255 T N 0.524 115.157 114.554 0.132 0.000 2.708 255 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 255 T C 2.115 176.881 174.700 0.111 0.000 1.037 255 T CA 1.611 63.778 62.100 0.112 0.000 1.146 255 T CB -0.441 68.479 68.868 0.088 0.000 0.865 255 T HN 0.559 nan 8.240 nan 0.000 0.435 256 A N 1.560 124.434 122.820 0.090 0.000 1.873 256 A HA -0.062 4.257 4.320 -0.000 0.000 0.218 256 A C 2.328 179.965 177.584 0.089 0.000 1.193 256 A CA 1.442 53.518 52.037 0.065 0.000 0.629 256 A CB -1.023 17.996 19.000 0.031 0.000 0.826 256 A HN 0.477 nan 8.150 nan 0.000 0.447 257 L N -0.961 120.337 121.223 0.125 0.000 2.083 257 L HA -0.197 4.142 4.340 -0.000 0.000 0.209 257 L C 3.026 180.065 176.870 0.283 0.000 1.083 257 L CA 1.010 55.958 54.840 0.180 0.000 0.752 257 L CB -0.565 41.615 42.059 0.202 0.000 0.899 257 L HN 0.476 nan 8.230 nan 0.000 0.433 258 A N 0.081 123.077 122.820 0.293 0.000 2.015 258 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 258 A C 2.497 180.318 177.584 0.396 0.000 1.163 258 A CA 1.564 53.874 52.037 0.455 0.000 0.646 258 A CB -0.507 18.692 19.000 0.331 0.000 0.806 258 A HN 0.529 nan 8.150 nan 0.000 0.448 259 S N -0.159 115.666 115.700 0.208 0.000 2.419 259 S HA -0.143 4.327 4.470 -0.000 0.000 0.233 259 S C 1.678 176.315 174.600 0.062 0.000 1.016 259 S CA 1.291 59.571 58.200 0.133 0.000 0.974 259 S CB -0.310 62.935 63.200 0.075 0.000 0.786 259 S HN 0.578 nan 8.310 nan 0.000 0.492 260 R N -0.367 120.120 120.500 -0.020 0.000 2.317 260 R HA 0.303 4.643 4.340 -0.000 0.000 0.208 260 R C 1.249 177.285 176.300 -0.441 0.000 0.914 260 R CA 0.377 56.349 56.100 -0.214 0.000 1.060 260 R CB 0.039 30.165 30.300 -0.289 0.000 1.015 260 R HN 0.553 nan 8.270 nan 0.000 0.498 261 H N -1.875 117.134 119.070 -0.102 0.000 3.205 261 H HA 0.216 4.772 4.556 -0.000 0.000 0.252 261 H C -0.409 174.526 175.328 -0.656 0.000 1.015 261 H CA 0.281 56.079 56.048 -0.417 0.000 1.192 261 H CB 0.793 30.183 29.762 -0.620 0.000 1.474 261 H HN -0.052 nan 8.280 nan 0.000 0.484 262 F N 0.776 120.805 119.950 0.132 0.000 2.577 262 F HA 0.294 4.821 4.527 -0.000 0.000 0.318 262 F C 1.482 177.322 175.800 0.067 0.000 1.065 262 F CA -0.923 57.138 58.000 0.101 0.000 0.929 262 F CB 2.215 41.277 39.000 0.103 0.000 1.237 262 F HN -0.288 nan 8.300 nan 0.000 0.468 263 K N 1.314 121.858 120.400 0.240 0.000 2.001 263 K HA -0.053 4.267 4.320 -0.000 0.000 0.208 263 K C 0.239 176.925 176.600 0.143 0.000 1.048 263 K CA 1.390 57.765 56.287 0.146 0.000 0.932 263 K CB 0.137 32.708 32.500 0.117 0.000 0.715 263 K HN 0.612 nan 8.250 nan 0.000 0.437 264 K N 0.436 120.933 120.400 0.161 0.000 2.316 264 K HA 0.301 4.621 4.320 -0.000 0.000 0.251 264 K C -1.685 174.979 176.600 0.107 0.000 0.934 264 K CA -0.809 55.551 56.287 0.121 0.000 0.802 264 K CB 1.243 33.806 32.500 0.104 0.000 1.171 264 K HN -0.026 nan 8.250 nan 0.000 0.426 265 L N 2.883 124.159 121.223 0.088 0.000 2.385 265 L HA 0.415 4.754 4.340 -0.000 0.000 0.273 265 L C -1.115 175.790 176.870 0.058 0.000 0.990 265 L CA -0.582 54.292 54.840 0.058 0.000 0.821 265 L CB 1.674 43.776 42.059 0.072 0.000 1.279 265 L HN 0.593 nan 8.230 nan 0.000 0.412 266 N N 0.653 119.376 118.700 0.037 0.000 2.479 266 N HA 0.581 5.321 4.740 -0.000 0.000 0.261 266 N C -0.797 174.720 175.510 0.012 0.000 0.979 266 N CA -0.420 52.617 53.050 -0.023 0.000 0.930 266 N CB 1.622 40.103 38.487 -0.009 0.000 1.172 266 N HN 0.631 nan 8.380 nan 0.000 0.499 267 T N -0.412 114.109 114.554 -0.055 0.000 2.829 267 T HA 0.597 4.946 4.350 -0.000 0.000 0.282 267 T C -0.737 173.899 174.700 -0.106 0.000 0.990 267 T CA -0.468 61.696 62.100 0.106 0.000 1.028 267 T CB 0.630 69.641 68.868 0.238 0.000 0.951 267 T HN 0.184 nan 8.240 nan 0.000 0.460 268 Y N 0.409 120.757 120.300 0.079 0.000 2.462 268 Y HA 0.673 5.222 4.550 -0.000 0.000 0.346 268 Y C 0.308 176.238 175.900 0.049 0.000 0.976 268 Y CA -1.055 57.031 58.100 -0.024 0.000 1.044 268 Y CB 2.661 41.095 38.460 -0.043 0.000 1.230 268 Y HN 0.779 nan 8.280 nan 0.000 0.455 269 S N 2.768 118.538 115.700 0.117 0.000 2.548 269 S HA 0.815 5.284 4.470 -0.000 0.000 0.286 269 S C -1.241 173.511 174.600 0.253 0.000 1.098 269 S CA -0.614 57.720 58.200 0.222 0.000 0.930 269 S CB 1.566 64.941 63.200 0.292 0.000 1.070 269 S HN 0.534 nan 8.310 nan 0.000 0.480 270 I N -0.960 119.823 120.570 0.355 0.000 2.934 270 I HA 1.075 5.245 4.170 -0.000 0.000 0.306 270 I C 0.005 176.307 176.117 0.310 0.000 1.110 270 I CA -0.532 60.971 61.300 0.337 0.000 1.019 270 I CB 1.717 39.812 38.000 0.158 0.000 1.227 270 I HN 0.765 nan 8.210 nan 0.000 0.434 271 G N 0.823 109.743 108.800 0.199 0.000 2.559 271 G HA2 0.641 4.601 3.960 -0.000 0.000 0.291 271 G HA3 0.641 4.601 3.960 -0.000 0.000 0.291 271 G C -1.067 173.832 174.900 -0.001 0.000 1.424 271 G CA -0.084 44.982 45.100 -0.056 0.000 0.786 271 G HN 1.022 nan 8.290 nan 0.000 0.485 272 T N -2.705 111.819 114.554 -0.050 0.000 2.844 272 T HA 0.538 4.888 4.350 -0.000 0.000 0.274 272 T C 0.694 175.381 174.700 -0.021 0.000 0.991 272 T CA -0.104 61.992 62.100 -0.006 0.000 0.983 272 T CB 1.841 70.711 68.868 0.002 0.000 1.310 272 T HN 0.429 nan 8.240 nan 0.000 0.596 273 E N 0.128 120.329 120.200 0.001 0.000 2.371 273 E HA 0.087 4.436 4.350 -0.000 0.000 0.194 273 E C 2.015 178.607 176.600 -0.013 0.000 1.012 273 E CA 0.318 56.720 56.400 0.002 0.000 0.860 273 E CB -0.225 29.484 29.700 0.015 0.000 0.811 273 E HN 0.531 nan 8.360 nan 0.000 0.502 274 L N 0.857 122.070 121.223 -0.017 0.000 2.179 274 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 274 L C 0.978 177.827 176.870 -0.036 0.000 1.096 274 L CA 0.543 55.372 54.840 -0.018 0.000 0.779 274 L CB -0.130 41.924 42.059 -0.008 0.000 0.922 274 L HN 0.036 nan 8.230 nan 0.000 0.443 275 S N -0.876 114.785 115.700 -0.065 0.000 2.622 275 S HA 0.483 4.953 4.470 -0.000 0.000 0.275 275 S C -1.216 173.271 174.600 -0.188 0.000 1.112 275 S CA -1.141 57.001 58.200 -0.097 0.000 0.837 275 S CB 1.582 64.748 63.200 -0.057 0.000 1.082 275 S HN 0.331 nan 8.310 nan 0.000 0.456 276 N N -0.693 117.849 118.700 -0.263 0.000 2.825 276 N HA 0.520 5.259 4.740 -0.000 0.000 0.253 276 N C -1.032 174.323 175.510 -0.258 0.000 1.426 276 N CA -1.019 51.740 53.050 -0.486 0.000 0.851 276 N CB 0.944 38.656 38.487 -1.292 0.000 1.470 276 N HN 0.661 nan 8.380 nan 0.000 0.517 277 E N -0.651 119.453 120.200 -0.159 0.000 2.603 277 E HA 0.265 4.615 4.350 -0.000 0.000 0.211 277 E C 0.052 176.840 176.600 0.313 0.000 0.995 277 E CA -0.347 56.164 56.400 0.185 0.000 0.990 277 E CB -0.070 29.767 29.700 0.228 0.000 1.036 277 E HN 0.479 nan 8.360 nan 0.000 0.475 278 F N 1.988 122.017 119.950 0.131 0.000 2.111 278 F HA -0.328 4.199 4.527 -0.000 0.000 0.300 278 F C 2.563 178.392 175.800 0.048 0.000 1.088 278 F CA 1.121 59.188 58.000 0.112 0.000 1.243 278 F CB -0.098 38.949 39.000 0.078 0.000 0.996 278 F HN 0.207 nan 8.300 nan 0.000 0.483 279 E N 0.665 120.938 120.200 0.122 0.000 2.097 279 E HA -0.239 4.110 4.350 -0.000 0.000 0.196 279 E C 1.948 178.432 176.600 -0.194 0.000 1.000 279 E CA 1.710 58.028 56.400 -0.137 0.000 0.804 279 E CB -0.226 29.234 29.700 -0.400 0.000 0.740 279 E HN 0.391 nan 8.360 nan 0.000 0.454 280 F N 0.878 120.881 119.950 0.089 0.000 2.187 280 F HA -0.094 4.433 4.527 -0.000 0.000 0.295 280 F C 2.951 178.777 175.800 0.042 0.000 1.091 280 F CA 1.150 59.185 58.000 0.059 0.000 1.308 280 F CB -0.658 38.374 39.000 0.055 0.000 1.030 280 F HN 0.086 nan 8.300 nan 0.000 0.487 281 S N -0.186 115.669 115.700 0.257 0.000 2.356 281 S HA -0.281 4.189 4.470 -0.000 0.000 0.223 281 S C 2.000 176.526 174.600 -0.123 0.000 1.032 281 S CA 1.240 59.507 58.200 0.111 0.000 1.005 281 S CB -0.832 62.507 63.200 0.232 0.000 0.867 281 S HN 0.316 nan 8.310 nan 0.000 0.449 282 Q N 1.680 121.436 119.800 -0.073 0.000 2.152 282 Q HA -0.176 4.164 4.340 -0.000 0.000 0.206 282 Q C 2.260 178.189 176.000 -0.118 0.000 0.985 282 Q CA 2.175 57.884 55.803 -0.157 0.000 0.863 282 Q CB -0.746 27.996 28.738 0.006 0.000 0.904 282 Q HN 0.821 nan 8.270 nan 0.000 0.422 283 Q N -1.182 118.593 119.800 -0.042 0.000 2.124 283 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 283 Q C 1.808 177.797 176.000 -0.019 0.000 0.977 283 Q CA 1.726 57.521 55.803 -0.013 0.000 0.850 283 Q CB 0.111 28.869 28.738 0.034 0.000 0.901 283 Q HN 0.367 nan 8.270 nan 0.000 0.429 284 V N 0.382 120.279 119.914 -0.027 0.000 2.407 284 V HA -0.146 3.974 4.120 -0.000 0.000 0.245 284 V C 2.265 178.316 176.094 -0.071 0.000 1.041 284 V CA 1.396 63.681 62.300 -0.026 0.000 1.040 284 V CB -0.736 31.088 31.823 0.002 0.000 0.671 284 V HN 0.484 nan 8.190 nan 0.000 0.455 285 A N 0.219 122.933 122.820 -0.177 0.000 1.883 285 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 285 A C 1.972 179.500 177.584 -0.093 0.000 1.186 285 A CA 2.251 54.169 52.037 -0.198 0.000 0.624 285 A CB -0.661 18.033 19.000 -0.509 0.000 0.822 285 A HN 0.528 nan 8.150 nan 0.000 0.444 286 D N 0.008 120.356 120.400 -0.087 0.000 2.084 286 D HA -0.054 4.586 4.640 -0.000 0.000 0.194 286 D C 2.245 178.530 176.300 -0.025 0.000 0.990 286 D CA 1.706 55.680 54.000 -0.043 0.000 0.826 286 D CB -0.621 40.158 40.800 -0.035 0.000 0.971 286 D HN 0.407 nan 8.370 nan 0.000 0.453 287 A N 0.148 122.956 122.820 -0.020 0.000 2.032 287 A HA -0.121 4.199 4.320 -0.000 0.000 0.221 287 A C 2.135 179.717 177.584 -0.003 0.000 1.165 287 A CA 1.084 53.117 52.037 -0.007 0.000 0.645 287 A CB -0.473 18.528 19.000 0.001 0.000 0.807 287 A HN 0.278 nan 8.150 nan 0.000 0.453 288 L N -1.822 119.398 121.223 -0.005 0.000 2.664 288 L HA 0.268 4.607 4.340 -0.000 0.000 0.233 288 L C 1.287 178.163 176.870 0.010 0.000 1.113 288 L CA 0.276 55.120 54.840 0.007 0.000 0.896 288 L CB -0.056 42.013 42.059 0.017 0.000 1.163 288 L HN 0.500 nan 8.230 nan 0.000 0.497 289 G N 2.452 111.252 108.800 -0.000 0.000 2.367 289 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.295 289 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.295 289 G C 0.274 175.184 174.900 0.018 0.000 1.019 289 G CA 0.595 45.696 45.100 0.002 0.000 1.224 289 G HN 0.403 nan 8.290 nan 0.000 0.510 290 T N -2.386 112.183 114.554 0.025 0.000 2.937 290 T HA 0.575 4.925 4.350 -0.000 0.000 0.283 290 T C 0.265 175.016 174.700 0.084 0.000 1.012 290 T CA -0.722 61.414 62.100 0.059 0.000 0.997 290 T CB 1.829 70.734 68.868 0.062 0.000 1.136 290 T HN 0.483 nan 8.240 nan 0.000 0.551 291 H N 1.222 120.282 119.070 -0.017 0.000 2.982 291 H HA 0.269 4.824 4.556 -0.000 0.000 0.261 291 H C -0.379 174.891 175.328 -0.097 0.000 1.603 291 H CA -0.298 55.718 56.048 -0.053 0.000 1.398 291 H CB -1.200 28.519 29.762 -0.071 0.000 1.693 291 H HN 0.723 nan 8.280 nan 0.000 0.535 292 H N 3.134 122.221 119.070 0.028 0.000 2.551 292 H HA 0.306 4.861 4.556 -0.000 0.000 0.358 292 H C -0.397 174.881 175.328 -0.083 0.000 1.151 292 H CA -0.178 55.828 56.048 -0.070 0.000 1.374 292 H CB 0.701 30.425 29.762 -0.063 0.000 1.473 292 H HN 0.715 nan 8.280 nan 0.000 0.574 293 Q N 4.858 124.177 119.800 -0.801 0.000 2.429 293 Q HA 0.258 4.598 4.340 -0.000 0.000 0.247 293 Q C -1.376 174.228 176.000 -0.660 0.000 0.915 293 Q CA -0.914 54.544 55.803 -0.574 0.000 0.971 293 Q CB 1.426 29.965 28.738 -0.332 0.000 1.468 293 Q HN 0.669 nan 8.270 nan 0.000 0.439 294 M N 0.787 120.026 119.600 -0.602 0.000 2.494 294 M HA 0.829 5.309 4.480 -0.000 0.000 0.300 294 M C -0.888 175.197 176.300 -0.359 0.000 1.189 294 M CA -0.779 54.142 55.300 -0.631 0.000 0.982 294 M CB 1.554 33.446 32.600 -1.179 0.000 1.534 294 M HN 0.586 nan 8.290 nan 0.000 0.488 295 K N 1.517 121.794 120.400 -0.206 0.000 2.561 295 K HA 0.459 4.779 4.320 -0.000 0.000 0.254 295 K C -2.164 174.597 176.600 0.269 0.000 0.942 295 K CA -0.468 55.837 56.287 0.030 0.000 0.818 295 K CB 1.719 34.243 32.500 0.040 0.000 1.306 295 K HN 0.840 nan 8.250 nan 0.000 0.435 296 I N 7.146 127.859 120.570 0.239 0.000 2.307 296 I HA 0.327 4.497 4.170 -0.000 0.000 0.289 296 I C -1.017 175.178 176.117 0.130 0.000 1.021 296 I CA -0.785 60.660 61.300 0.242 0.000 1.224 296 I CB 0.187 38.319 38.000 0.220 0.000 1.376 296 I HN 0.696 nan 8.210 nan 0.000 0.470 297 L N 7.235 128.523 121.223 0.108 0.000 2.397 297 L HA 0.250 4.590 4.340 -0.000 0.000 0.271 297 L C 1.078 177.981 176.870 0.055 0.000 1.148 297 L CA -0.276 54.607 54.840 0.072 0.000 0.825 297 L CB 0.919 43.014 42.059 0.061 0.000 1.117 297 L HN 0.694 nan 8.230 nan 0.000 0.456 298 S N 0.761 116.489 115.700 0.047 0.000 2.645 298 S HA 0.111 4.581 4.470 -0.000 0.000 0.266 298 S C 0.884 175.504 174.600 0.033 0.000 1.258 298 S CA -0.424 57.799 58.200 0.039 0.000 0.990 298 S CB 1.463 64.685 63.200 0.037 0.000 0.967 298 S HN 0.768 nan 8.310 nan 0.000 0.556 299 E N 0.720 120.937 120.200 0.028 0.000 2.038 299 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 299 E C 1.723 178.337 176.600 0.024 0.000 1.000 299 E CA 1.897 58.312 56.400 0.025 0.000 0.803 299 E CB -0.690 29.023 29.700 0.022 0.000 0.750 299 E HN 0.821 nan 8.360 nan 0.000 0.448 300 T N 0.689 115.260 114.554 0.028 0.000 2.737 300 T HA -0.184 4.166 4.350 -0.000 0.000 0.269 300 T C 1.507 176.230 174.700 0.037 0.000 1.040 300 T CA 1.681 63.801 62.100 0.033 0.000 1.142 300 T CB -0.233 68.656 68.868 0.035 0.000 0.861 300 T HN 0.305 nan 8.240 nan 0.000 0.456 301 E N 0.177 120.400 120.200 0.038 0.000 2.072 301 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 301 E C 2.382 179.001 176.600 0.032 0.000 0.985 301 E CA 0.822 57.248 56.400 0.044 0.000 0.801 301 E CB -0.176 29.552 29.700 0.046 0.000 0.750 301 E HN 0.237 nan 8.360 nan 0.000 0.452 302 V N 1.733 121.657 119.914 0.017 0.000 2.287 302 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 302 V C 2.218 178.278 176.094 -0.057 0.000 1.053 302 V CA 1.318 63.612 62.300 -0.010 0.000 1.027 302 V CB -0.375 31.445 31.823 -0.006 0.000 0.646 302 V HN 0.300 nan 8.190 nan 0.000 0.447 303 I N 0.726 121.268 120.570 -0.046 0.000 2.252 303 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 303 I C 2.341 178.456 176.117 -0.003 0.000 1.102 303 I CA 1.924 63.187 61.300 -0.062 0.000 1.385 303 I CB -1.728 36.275 38.000 0.006 0.000 1.064 303 I HN 0.447 nan 8.210 nan 0.000 0.414 304 N N 1.338 120.059 118.700 0.036 0.000 2.223 304 N HA -0.132 4.608 4.740 -0.000 0.000 0.185 304 N C 1.971 177.525 175.510 0.074 0.000 1.016 304 N CA 1.578 54.672 53.050 0.074 0.000 0.863 304 N CB -0.272 38.268 38.487 0.088 0.000 0.983 304 N HN 0.317 nan 8.380 nan 0.000 0.429 305 G N 0.170 108.996 108.800 0.043 0.000 2.408 305 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.217 305 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.217 305 G C 1.554 176.406 174.900 -0.080 0.000 1.150 305 G CA 0.559 45.686 45.100 0.045 0.000 0.776 305 G HN 0.341 nan 8.290 nan 0.000 0.542 306 I N 1.546 122.049 120.570 -0.112 0.000 2.142 306 I HA -0.146 4.024 4.170 -0.000 0.000 0.240 306 I C 2.746 178.814 176.117 -0.082 0.000 1.078 306 I CA 1.309 62.510 61.300 -0.166 0.000 1.343 306 I CB -0.232 37.578 38.000 -0.316 0.000 1.046 306 I HN 0.302 nan 8.210 nan 0.000 0.405 307 I N -1.550 119.031 120.570 0.019 0.000 2.614 307 I HA -0.180 3.990 4.170 -0.000 0.000 0.258 307 I C 2.029 178.244 176.117 0.163 0.000 1.189 307 I CA 1.478 62.867 61.300 0.148 0.000 1.462 307 I CB -0.541 37.581 38.000 0.203 0.000 1.092 307 I HN 0.285 nan 8.210 nan 0.000 0.442 308 E N 1.745 121.958 120.200 0.022 0.000 2.107 308 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 308 E C 2.463 178.951 176.600 -0.186 0.000 0.982 308 E CA 1.518 57.937 56.400 0.032 0.000 0.809 308 E CB 0.054 29.942 29.700 0.313 0.000 0.756 308 E HN 0.733 nan 8.360 nan 0.000 0.459 309 S N 0.564 115.846 115.700 -0.696 0.000 2.428 309 S HA -0.076 4.394 4.470 -0.000 0.000 0.230 309 S C 2.017 176.531 174.600 -0.143 0.000 1.014 309 S CA 0.441 58.125 58.200 -0.861 0.000 0.957 309 S CB -0.351 62.356 63.200 -0.823 0.000 0.784 309 S HN 0.148 nan 8.310 nan 0.000 0.499 310 I N 0.076 120.644 120.570 -0.004 0.000 2.163 310 I HA -0.105 4.065 4.170 -0.000 0.000 0.240 310 I C 2.550 178.809 176.117 0.236 0.000 1.081 310 I CA 1.759 63.177 61.300 0.197 0.000 1.353 310 I CB -0.519 37.647 38.000 0.277 0.000 1.054 310 I HN 0.284 nan 8.210 nan 0.000 0.407 311 Y N 1.048 121.344 120.300 -0.007 0.000 2.089 311 Y HA -0.331 4.219 4.550 -0.000 0.000 0.282 311 Y C 2.510 178.296 175.900 -0.190 0.000 1.139 311 Y CA 1.696 59.587 58.100 -0.347 0.000 1.123 311 Y CB -0.641 37.149 38.460 -1.116 0.000 0.980 311 Y HN 0.034 nan 8.280 nan 0.000 0.493 312 Y N 0.172 120.502 120.300 0.050 0.000 2.163 312 Y HA -0.170 4.379 4.550 -0.000 0.000 0.288 312 Y C 1.982 178.006 175.900 0.206 0.000 1.136 312 Y CA 1.856 60.030 58.100 0.124 0.000 1.147 312 Y CB -0.727 38.003 38.460 0.450 0.000 0.987 312 Y HN 0.187 nan 8.280 nan 0.000 0.509 313 N N 0.032 118.967 118.700 0.391 0.000 2.270 313 N HA 0.008 4.748 4.740 -0.000 0.000 0.198 313 N C -0.615 175.056 175.510 0.268 0.000 1.117 313 N CA 0.268 53.519 53.050 0.335 0.000 0.845 313 N CB -0.253 38.406 38.487 0.287 0.000 0.980 313 N HN 0.258 nan 8.380 nan 0.000 0.486 314 E N 0.463 120.811 120.200 0.247 0.000 2.222 314 E HA -0.224 4.126 4.350 -0.000 0.000 0.189 314 E C -0.629 176.260 176.600 0.482 0.000 1.415 314 E CA 0.443 57.065 56.400 0.370 0.000 0.689 314 E CB -1.660 28.225 29.700 0.310 0.000 1.107 314 E HN 0.463 nan 8.360 nan 0.000 0.350 315 I N 1.079 121.842 120.570 0.322 0.000 2.353 315 I HA 0.173 4.343 4.170 -0.000 0.000 0.293 315 I C 1.152 177.330 176.117 0.101 0.000 0.992 315 I CA -0.570 60.776 61.300 0.077 0.000 1.268 315 I CB 0.438 38.431 38.000 -0.011 0.000 1.387 315 I HN 0.185 nan 8.210 nan 0.000 0.478 316 F N 1.328 121.252 119.950 -0.042 0.000 2.728 316 F HA 0.376 4.903 4.527 -0.000 0.000 0.314 316 F C 0.398 176.223 175.800 0.042 0.000 1.094 316 F CA -0.864 57.035 58.000 -0.168 0.000 1.217 316 F CB -0.327 38.275 39.000 -0.663 0.000 1.056 316 F HN 0.269 nan 8.300 nan 0.000 0.577 317 D N 1.293 121.558 120.400 -0.226 0.000 2.312 317 D HA 0.362 5.002 4.640 -0.000 0.000 0.252 317 D C 1.593 177.943 176.300 0.083 0.000 1.150 317 D CA 0.299 54.294 54.000 -0.008 0.000 0.870 317 D CB 1.777 42.501 40.800 -0.127 0.000 1.153 317 D HN 0.200 nan 8.370 nan 0.000 0.457 318 G N 3.249 112.172 108.800 0.204 0.000 2.446 318 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 318 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 318 G C 1.311 176.407 174.900 0.326 0.000 1.168 318 G CA 0.707 45.994 45.100 0.311 0.000 0.771 318 G HN 0.533 nan 8.290 nan 0.000 0.551 319 L N 1.290 122.677 121.223 0.273 0.000 2.042 319 L HA -0.023 4.317 4.340 -0.000 0.000 0.210 319 L C 2.851 179.694 176.870 -0.045 0.000 1.076 319 L CA 2.553 57.465 54.840 0.120 0.000 0.749 319 L CB -0.829 41.110 42.059 -0.201 0.000 0.893 319 L HN 0.183 nan 8.230 nan 0.000 0.432 320 S N 0.076 115.720 115.700 -0.093 0.000 2.356 320 S HA -0.137 4.332 4.470 -0.000 0.000 0.223 320 S C 2.110 176.660 174.600 -0.083 0.000 1.032 320 S CA 1.163 59.273 58.200 -0.151 0.000 1.005 320 S CB -0.757 62.298 63.200 -0.241 0.000 0.867 320 S HN 0.691 nan 8.310 nan 0.000 0.449 321 A N 1.432 124.237 122.820 -0.025 0.000 1.933 321 A HA -0.175 4.144 4.320 -0.000 0.000 0.218 321 A C 2.063 179.624 177.584 -0.039 0.000 1.175 321 A CA 1.769 53.792 52.037 -0.023 0.000 0.628 321 A CB -0.620 18.407 19.000 0.044 0.000 0.814 321 A HN 0.625 nan 8.150 nan 0.000 0.444 322 E N -0.150 120.073 120.200 0.037 0.000 2.077 322 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 322 E C 1.865 178.464 176.600 -0.002 0.000 0.989 322 E CA 1.250 57.673 56.400 0.040 0.000 0.800 322 E CB -0.217 29.649 29.700 0.277 0.000 0.746 322 E HN 0.662 nan 8.360 nan 0.000 0.452 323 I N 0.947 121.474 120.570 -0.072 0.000 2.315 323 I HA -0.240 3.929 4.170 -0.000 0.000 0.248 323 I C 2.459 178.597 176.117 0.035 0.000 1.117 323 I CA 0.776 62.039 61.300 -0.062 0.000 1.404 323 I CB -0.224 37.693 38.000 -0.139 0.000 1.071 323 I HN 0.198 nan 8.210 nan 0.000 0.419 324 Q N -0.061 119.749 119.800 0.017 0.000 2.230 324 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 324 Q C 2.300 178.361 176.000 0.102 0.000 0.963 324 Q CA 1.142 56.994 55.803 0.082 0.000 0.866 324 Q CB -0.397 28.377 28.738 0.061 0.000 0.931 324 Q HN 0.394 nan 8.270 nan 0.000 0.452 325 S N 0.522 116.228 115.700 0.010 0.000 2.380 325 S HA -0.235 4.235 4.470 -0.000 0.000 0.229 325 S C 1.955 176.579 174.600 0.041 0.000 1.050 325 S CA 1.913 60.117 58.200 0.007 0.000 1.100 325 S CB -0.595 62.577 63.200 -0.047 0.000 0.984 325 S HN 0.579 nan 8.310 nan 0.000 0.434 326 G N 1.662 110.480 108.800 0.030 0.000 2.514 326 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.217 326 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.217 326 G C 1.455 176.304 174.900 -0.085 0.000 1.198 326 G CA 1.140 46.245 45.100 0.008 0.000 0.780 326 G HN 0.538 nan 8.290 nan 0.000 0.565 327 L N -0.838 120.308 121.223 -0.127 0.000 2.051 327 L HA -0.143 4.197 4.340 -0.000 0.000 0.214 327 L C 2.793 179.092 176.870 -0.952 0.000 1.076 327 L CA 1.254 55.819 54.840 -0.460 0.000 0.758 327 L CB -0.532 41.320 42.059 -0.344 0.000 0.890 327 L HN 0.172 nan 8.230 nan 0.000 0.433 328 F N 0.222 119.807 119.950 -0.608 0.000 2.234 328 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 328 F C 2.205 177.779 175.800 -0.377 0.000 1.087 328 F CA 1.501 59.229 58.000 -0.453 0.000 1.340 328 F CB -0.327 38.640 39.000 -0.055 0.000 1.031 328 F HN 0.151 nan 8.300 nan 0.000 0.500 329 N N -0.528 118.097 118.700 -0.125 0.000 2.270 329 N HA -0.124 4.616 4.740 -0.000 0.000 0.181 329 N C 1.796 177.182 175.510 -0.207 0.000 1.016 329 N CA 0.833 53.817 53.050 -0.111 0.000 0.870 329 N CB -0.182 38.290 38.487 -0.025 0.000 0.979 329 N HN -0.024 nan 8.380 nan 0.000 0.431 330 V N 0.458 120.202 119.914 -0.285 0.000 2.343 330 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 330 V C 1.513 177.382 176.094 -0.374 0.000 1.051 330 V CA 1.455 63.581 62.300 -0.290 0.000 1.036 330 V CB -0.692 30.966 31.823 -0.275 0.000 0.654 330 V HN 0.308 nan 8.190 nan 0.000 0.451 331 Y N 0.640 120.636 120.300 -0.506 0.000 2.128 331 Y HA -0.236 4.314 4.550 -0.000 0.000 0.284 331 Y C 2.644 178.070 175.900 -0.790 0.000 1.154 331 Y CA 1.681 59.379 58.100 -0.671 0.000 1.149 331 Y CB -1.028 36.933 38.460 -0.831 0.000 0.976 331 Y HN 0.195 nan 8.280 nan 0.000 0.505 332 R N 0.344 120.404 120.500 -0.733 0.000 2.120 332 R HA -0.185 4.155 4.340 -0.000 0.000 0.234 332 R C 2.185 178.372 176.300 -0.189 0.000 1.123 332 R CA 1.525 57.314 56.100 -0.519 0.000 0.975 332 R CB -0.220 29.904 30.300 -0.294 0.000 0.866 332 R HN 0.433 nan 8.270 nan 0.000 0.446 333 Q N -0.737 118.954 119.800 -0.182 0.000 2.187 333 Q HA -0.008 4.332 4.340 -0.000 0.000 0.199 333 Q C 1.525 177.494 176.000 -0.051 0.000 0.957 333 Q CA 1.220 56.989 55.803 -0.057 0.000 0.857 333 Q CB 0.244 28.995 28.738 0.022 0.000 0.929 333 Q HN 0.472 nan 8.270 nan 0.000 0.453 334 A N 0.274 122.911 122.820 -0.305 0.000 2.238 334 A HA -0.018 4.302 4.320 -0.000 0.000 0.210 334 A C 0.889 178.395 177.584 -0.130 0.000 1.179 334 A CA -0.216 51.611 52.037 -0.350 0.000 0.827 334 A CB -0.092 18.357 19.000 -0.919 0.000 0.856 334 A HN 0.395 nan 8.150 nan 0.000 0.488 335 Q N -0.093 119.660 119.800 -0.078 0.000 2.269 335 Q HA 0.257 4.596 4.340 -0.000 0.000 0.300 335 Q C 1.128 177.148 176.000 0.032 0.000 1.070 335 Q CA 1.062 56.882 55.803 0.027 0.000 0.957 335 Q CB -0.084 28.750 28.738 0.161 0.000 1.131 335 Q HN 0.943 nan 8.270 nan 0.000 0.377 336 G N 3.174 111.990 108.800 0.027 0.000 2.225 336 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.254 336 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.254 336 G C 0.674 175.590 174.900 0.027 0.000 0.988 336 G CA 0.571 45.690 45.100 0.031 0.000 0.625 336 G HN 0.693 nan 8.290 nan 0.000 0.527 337 Q N -0.562 119.251 119.800 0.022 0.000 2.324 337 Q HA 0.456 4.796 4.340 -0.000 0.000 0.207 337 Q C 1.281 177.294 176.000 0.023 0.000 0.928 337 Q CA 1.371 57.190 55.803 0.027 0.000 0.890 337 Q CB 0.855 29.631 28.738 0.063 0.000 1.001 337 Q HN 1.088 nan 8.270 nan 0.000 0.517 338 V N -4.093 115.819 119.914 -0.003 0.000 3.160 338 V HA 0.534 4.654 4.120 -0.000 0.000 0.310 338 V C -0.096 175.960 176.094 -0.062 0.000 1.181 338 V CA -0.741 61.539 62.300 -0.033 0.000 1.047 338 V CB 2.171 33.950 31.823 -0.073 0.000 1.068 338 V HN -0.097 nan 8.190 nan 0.000 0.441 339 S N -0.264 115.385 115.700 -0.085 0.000 2.632 339 S HA 0.333 4.803 4.470 -0.000 0.000 0.237 339 S C 0.034 174.414 174.600 -0.366 0.000 1.037 339 S CA 0.474 58.625 58.200 -0.082 0.000 1.009 339 S CB 0.476 63.792 63.200 0.192 0.000 0.974 339 S HN 1.068 nan 8.310 nan 0.000 0.544 340 C N 2.221 121.183 119.300 -0.564 0.000 2.609 340 C HA 0.764 5.224 4.460 -0.000 0.000 0.313 340 C C -1.363 173.329 174.990 -0.497 0.000 1.175 340 C CA -0.656 57.910 59.018 -0.753 0.000 1.434 340 C CB 0.666 27.570 27.740 -1.392 0.000 2.005 340 C HN 0.386 nan 8.230 nan 0.000 0.471 341 M N 5.837 125.184 119.600 -0.422 0.000 2.393 341 M HA 0.538 5.018 4.480 -0.000 0.000 0.299 341 M C -1.304 174.835 176.300 -0.269 0.000 1.103 341 M CA -0.408 54.712 55.300 -0.300 0.000 0.910 341 M CB 2.015 34.477 32.600 -0.231 0.000 1.659 341 M HN 0.502 nan 8.290 nan 0.000 0.445 342 L N 1.545 122.661 121.223 -0.179 0.000 2.334 342 L HA 0.793 5.133 4.340 -0.000 0.000 0.273 342 L C 0.227 177.111 176.870 0.024 0.000 1.013 342 L CA -0.565 54.215 54.840 -0.099 0.000 0.816 342 L CB 2.168 44.185 42.059 -0.071 0.000 1.278 342 L HN 0.794 nan 8.230 nan 0.000 0.431 343 T N -2.047 112.580 114.554 0.122 0.000 2.831 343 T HA 0.556 4.906 4.350 -0.000 0.000 0.287 343 T C 0.378 175.299 174.700 0.369 0.000 1.070 343 T CA -0.107 62.143 62.100 0.251 0.000 1.010 343 T CB 1.877 70.963 68.868 0.363 0.000 1.264 343 T HN 0.612 nan 8.240 nan 0.000 0.532 344 G N -0.582 108.431 108.800 0.355 0.000 3.575 344 G HA2 0.221 4.180 3.960 -0.000 0.000 0.273 344 G HA3 0.221 4.180 3.960 -0.000 0.000 0.273 344 G C -0.240 174.787 174.900 0.211 0.000 1.053 344 G CA -0.428 44.888 45.100 0.360 0.000 0.803 344 G HN 0.703 nan 8.290 nan 0.000 0.528 345 Y N 1.107 121.513 120.300 0.176 0.000 2.712 345 Y HA 0.292 4.842 4.550 -0.000 0.000 0.333 345 Y C 1.607 177.492 175.900 -0.026 0.000 1.225 345 Y CA 1.784 59.893 58.100 0.016 0.000 1.499 345 Y CB 0.900 39.341 38.460 -0.031 0.000 1.288 345 Y HN 0.311 nan 8.280 nan 0.000 0.575 346 G N 2.237 110.858 108.800 -0.298 0.000 2.268 346 G HA2 -0.400 3.559 3.960 -0.000 0.000 0.240 346 G HA3 -0.400 3.559 3.960 -0.000 0.000 0.240 346 G C 1.434 176.369 174.900 0.060 0.000 1.010 346 G CA 0.830 45.838 45.100 -0.154 0.000 0.618 346 G HN 0.849 nan 8.290 nan 0.000 0.516 347 S N 0.470 116.047 115.700 -0.205 0.000 2.374 347 S HA -0.153 4.317 4.470 -0.000 0.000 0.227 347 S C 1.889 176.448 174.600 -0.068 0.000 1.037 347 S CA 2.157 60.120 58.200 -0.394 0.000 1.024 347 S CB -0.369 62.096 63.200 -1.224 0.000 0.861 347 S HN 0.492 nan 8.310 nan 0.000 0.456 348 D N 0.862 121.194 120.400 -0.114 0.000 2.309 348 D HA -0.027 4.613 4.640 -0.000 0.000 0.212 348 D C 1.630 177.925 176.300 -0.009 0.000 0.968 348 D CA 0.733 54.703 54.000 -0.049 0.000 0.882 348 D CB -0.151 40.588 40.800 -0.102 0.000 0.918 348 D HN 0.460 nan 8.370 nan 0.000 0.503 349 L N -0.316 120.919 121.223 0.020 0.000 2.446 349 L HA 0.087 4.427 4.340 -0.000 0.000 0.219 349 L C 2.100 179.010 176.870 0.067 0.000 1.116 349 L CA 0.207 55.091 54.840 0.072 0.000 0.844 349 L CB 0.081 42.242 42.059 0.170 0.000 0.970 349 L HN -0.002 nan 8.230 nan 0.000 0.457 350 L N -1.932 119.298 121.223 0.012 0.000 2.316 350 L HA 0.079 4.419 4.340 -0.000 0.000 0.207 350 L C 1.536 178.203 176.870 -0.339 0.000 1.070 350 L CA 0.597 55.306 54.840 -0.217 0.000 0.820 350 L CB -0.109 41.708 42.059 -0.403 0.000 0.992 350 L HN 0.090 nan 8.230 nan 0.000 0.466 351 F N 0.195 120.182 119.950 0.061 0.000 2.695 351 F HA 0.371 4.898 4.527 -0.000 0.000 0.303 351 F C 1.494 177.323 175.800 0.048 0.000 1.091 351 F CA 0.291 58.329 58.000 0.064 0.000 1.300 351 F CB 0.273 39.314 39.000 0.069 0.000 1.071 351 F HN 0.131 nan 8.300 nan 0.000 0.578 352 G N 0.160 109.043 108.800 0.139 0.000 2.130 352 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.216 352 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.216 352 G C 1.390 176.328 174.900 0.064 0.000 0.999 352 G CA 0.072 45.218 45.100 0.077 0.000 0.686 352 G HN 0.613 nan 8.290 nan 0.000 0.515 353 G N 0.961 109.795 108.800 0.057 0.000 2.432 353 G HA2 0.056 4.015 3.960 -0.000 0.000 0.219 353 G HA3 0.056 4.015 3.960 -0.000 0.000 0.219 353 G C 1.706 176.606 174.900 0.001 0.000 1.135 353 G CA 1.375 46.489 45.100 0.024 0.000 0.767 353 G HN 1.384 nan 8.290 nan 0.000 0.550 354 I N -1.271 119.288 120.570 -0.019 0.000 3.564 354 I HA 0.348 4.517 4.170 -0.000 0.000 0.294 354 I C 0.279 176.385 176.117 -0.018 0.000 1.289 354 I CA -0.223 61.060 61.300 -0.027 0.000 1.325 354 I CB -0.141 37.830 38.000 -0.048 0.000 1.039 354 I HN -0.109 nan 8.210 nan 0.000 0.474 355 L N 2.064 123.281 121.223 -0.010 0.000 2.350 355 L HA 0.339 4.679 4.340 -0.000 0.000 0.275 355 L C 0.494 177.467 176.870 0.171 0.000 1.099 355 L CA -0.468 54.388 54.840 0.026 0.000 0.808 355 L CB 1.100 43.132 42.059 -0.045 0.000 1.149 355 L HN 0.130 nan 8.230 nan 0.000 0.442 356 K N 4.194 124.778 120.400 0.307 0.000 2.349 356 K HA 0.212 4.532 4.320 -0.000 0.000 0.289 356 K C -2.277 174.424 176.600 0.168 0.000 1.064 356 K CA -1.534 54.869 56.287 0.192 0.000 0.947 356 K CB 0.674 33.263 32.500 0.149 0.000 1.007 356 K HN 0.193 nan 8.250 nan 0.000 0.478 357 P HA -0.076 nan 4.420 nan 0.000 0.260 357 P C 0.406 177.743 177.300 0.061 0.000 1.172 357 P CA 1.070 64.228 63.100 0.097 0.000 0.760 357 P CB 0.614 32.360 31.700 0.077 0.000 0.773 358 G N 2.213 111.047 108.800 0.056 0.000 2.284 358 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.247 358 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.247 358 G C 0.567 175.450 174.900 -0.029 0.000 1.012 358 G CA 0.074 45.178 45.100 0.006 0.000 0.618 358 G HN 0.855 nan 8.290 nan 0.000 0.521 359 A N -0.244 122.549 122.820 -0.046 0.000 2.386 359 A HA 0.632 4.952 4.320 -0.000 0.000 0.246 359 A C 0.471 177.891 177.584 -0.272 0.000 1.089 359 A CA 1.250 53.169 52.037 -0.195 0.000 0.790 359 A CB 0.468 19.284 19.000 -0.307 0.000 1.042 359 A HN 1.025 nan 8.150 nan 0.000 0.497 360 Q N -0.323 119.254 119.800 -0.372 0.000 2.271 360 Q HA 0.569 4.909 4.340 -0.000 0.000 0.258 360 Q C -2.169 173.575 176.000 -0.427 0.000 0.936 360 Q CA 0.135 55.781 55.803 -0.262 0.000 0.909 360 Q CB 0.789 29.443 28.738 -0.140 0.000 1.253 360 Q HN 0.526 nan 8.270 nan 0.000 0.440 361 Y N 2.550 122.866 120.300 0.026 0.000 2.346 361 Y HA 0.253 4.803 4.550 -0.000 0.000 0.332 361 Y C 0.457 176.366 175.900 0.015 0.000 0.985 361 Y CA -0.898 57.214 58.100 0.021 0.000 1.112 361 Y CB 1.987 40.463 38.460 0.026 0.000 1.170 361 Y HN 0.733 nan 8.280 nan 0.000 0.447 362 D N 1.264 121.761 120.400 0.161 0.000 2.123 362 D HA -0.184 4.456 4.640 -0.000 0.000 0.196 362 D C 0.315 176.659 176.300 0.074 0.000 0.992 362 D CA 1.606 55.660 54.000 0.089 0.000 0.833 362 D CB 0.374 41.212 40.800 0.063 0.000 0.954 362 D HN 0.339 nan 8.370 nan 0.000 0.455 363 N N -0.488 118.260 118.700 0.081 0.000 2.716 363 N HA 0.071 4.811 4.740 -0.000 0.000 0.245 363 N C -2.140 173.367 175.510 -0.006 0.000 1.495 363 N CA -1.235 51.828 53.050 0.022 0.000 0.759 363 N CB 1.442 39.930 38.487 0.001 0.000 1.261 363 N HN -0.172 nan 8.380 nan 0.000 0.515 364 P HA -0.117 nan 4.420 nan 0.000 0.216 364 P C 0.907 178.133 177.300 -0.123 0.000 1.150 364 P CA 1.057 64.077 63.100 -0.133 0.000 0.837 364 P CB 0.590 32.237 31.700 -0.088 0.000 0.786 365 N N 0.029 118.674 118.700 -0.093 0.000 2.166 365 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 365 N C 2.043 177.484 175.510 -0.115 0.000 1.019 365 N CA 1.003 53.982 53.050 -0.117 0.000 0.856 365 N CB -0.690 37.704 38.487 -0.156 0.000 0.993 365 N HN 0.377 nan 8.380 nan 0.000 0.426 366 Q N 0.215 119.961 119.800 -0.090 0.000 2.079 366 Q HA -0.067 4.273 4.340 -0.000 0.000 0.200 366 Q C 1.905 177.880 176.000 -0.041 0.000 0.974 366 Q CA 0.865 56.633 55.803 -0.058 0.000 0.840 366 Q CB -0.008 28.707 28.738 -0.039 0.000 0.898 366 Q HN 0.149 nan 8.270 nan 0.000 0.430 367 L N 0.576 121.762 121.223 -0.061 0.000 2.013 367 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 367 L C 2.305 179.145 176.870 -0.050 0.000 1.073 367 L CA 1.558 56.358 54.840 -0.066 0.000 0.753 367 L CB -0.576 41.398 42.059 -0.140 0.000 0.890 367 L HN 0.285 nan 8.230 nan 0.000 0.432 368 L N -1.412 119.772 121.223 -0.064 0.000 1.994 368 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 368 L C 2.742 179.632 176.870 0.033 0.000 1.071 368 L CA 1.219 56.043 54.840 -0.027 0.000 0.745 368 L CB -0.977 41.056 42.059 -0.043 0.000 0.892 368 L HN 0.281 nan 8.230 nan 0.000 0.431 369 A N 0.020 122.859 122.820 0.033 0.000 1.958 369 A HA -0.284 4.036 4.320 -0.000 0.000 0.221 369 A C 2.162 179.832 177.584 0.143 0.000 1.178 369 A CA 2.107 54.210 52.037 0.109 0.000 0.642 369 A CB -0.585 18.485 19.000 0.115 0.000 0.816 369 A HN 0.499 nan 8.150 nan 0.000 0.453 370 E N -0.869 119.386 120.200 0.092 0.000 2.110 370 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 370 E C 2.310 179.014 176.600 0.173 0.000 0.988 370 E CA 1.236 57.704 56.400 0.113 0.000 0.804 370 E CB -0.096 29.638 29.700 0.057 0.000 0.745 370 E HN 0.590 nan 8.360 nan 0.000 0.458 371 Q N 0.075 119.947 119.800 0.119 0.000 2.083 371 Q HA -0.091 4.249 4.340 -0.000 0.000 0.198 371 Q C 2.453 178.554 176.000 0.169 0.000 0.969 371 Q CA 0.805 56.667 55.803 0.098 0.000 0.838 371 Q CB -0.344 28.418 28.738 0.040 0.000 0.900 371 Q HN 0.217 nan 8.270 nan 0.000 0.436 372 V N 0.612 120.674 119.914 0.245 0.000 2.287 372 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 372 V C 2.117 178.415 176.094 0.340 0.000 1.053 372 V CA 1.977 64.508 62.300 0.387 0.000 1.027 372 V CB -0.803 31.178 31.823 0.263 0.000 0.646 372 V HN 0.290 nan 8.190 nan 0.000 0.447 373 Y N 1.045 121.439 120.300 0.157 0.000 2.145 373 Y HA -0.258 4.291 4.550 -0.000 0.000 0.286 373 Y C 2.829 178.808 175.900 0.133 0.000 1.145 373 Y CA 2.260 60.446 58.100 0.143 0.000 1.148 373 Y CB -0.258 38.281 38.460 0.131 0.000 0.981 373 Y HN 0.047 nan 8.280 nan 0.000 0.507 374 R N -0.080 120.570 120.500 0.251 0.000 2.139 374 R HA -0.183 4.156 4.340 -0.000 0.000 0.243 374 R C 1.984 177.996 176.300 -0.480 0.000 1.145 374 R CA 2.011 58.110 56.100 -0.001 0.000 0.976 374 R CB -0.649 29.667 30.300 0.028 0.000 0.866 374 R HN 0.570 nan 8.270 nan 0.000 0.449 375 T N -2.225 112.197 114.554 -0.220 0.000 3.077 375 T HA -0.055 4.295 4.350 -0.000 0.000 0.269 375 T C 1.602 176.204 174.700 -0.163 0.000 1.146 375 T CA 0.749 62.709 62.100 -0.233 0.000 1.091 375 T CB -0.226 68.676 68.868 0.056 0.000 0.892 375 T HN 0.356 nan 8.240 nan 0.000 0.533 376 R N 0.250 120.636 120.500 -0.191 0.000 2.115 376 R HA 0.057 4.397 4.340 -0.000 0.000 0.230 376 R C 2.181 178.473 176.300 -0.014 0.000 1.111 376 R CA 1.643 57.677 56.100 -0.109 0.000 0.976 376 R CB -0.170 29.999 30.300 -0.219 0.000 0.870 376 R HN 0.807 nan 8.270 nan 0.000 0.445 377 W N -0.123 121.154 121.300 -0.039 0.000 2.998 377 W HA 0.184 4.844 4.660 -0.000 0.000 0.336 377 W C 0.928 177.439 176.519 -0.013 0.000 1.112 377 W CA 0.580 57.942 57.345 0.029 0.000 1.682 377 W CB -0.460 29.065 29.460 0.108 0.000 1.065 377 W HN -0.075 nan 8.180 nan 0.000 0.570 378 T N -1.064 113.133 114.554 -0.595 0.000 2.737 378 T HA 0.158 4.508 4.350 -0.000 0.000 0.265 378 T C 1.928 176.457 174.700 -0.285 0.000 1.038 378 T CA 2.344 64.059 62.100 -0.642 0.000 1.144 378 T CB -0.812 67.547 68.868 -0.848 0.000 0.866 378 T HN 0.483 nan 8.240 nan 0.000 0.434 379 G N 0.716 109.410 108.800 -0.176 0.000 2.192 379 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.193 379 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.193 379 G C 0.653 175.490 174.900 -0.104 0.000 0.999 379 G CA 0.376 45.449 45.100 -0.045 0.000 0.659 379 G HN 0.535 nan 8.290 nan 0.000 0.503 380 E N -0.385 119.646 120.200 -0.283 0.000 2.097 380 E HA -0.081 4.268 4.350 -0.000 0.000 0.196 380 E C 1.553 177.845 176.600 -0.514 0.000 1.000 380 E CA 1.403 57.528 56.400 -0.459 0.000 0.804 380 E CB -0.175 29.088 29.700 -0.730 0.000 0.740 380 E HN 0.527 nan 8.360 nan 0.000 0.454 381 F N 0.511 120.341 119.950 -0.200 0.000 2.797 381 F HA 0.237 4.764 4.527 -0.000 0.000 0.302 381 F C 1.031 176.910 175.800 0.132 0.000 1.130 381 F CA -0.291 57.668 58.000 -0.068 0.000 1.387 381 F CB -0.280 38.620 39.000 -0.168 0.000 1.107 381 F HN -0.148 nan 8.300 nan 0.000 0.577 382 A N 0.211 123.140 122.820 0.181 0.000 2.483 382 A HA 0.291 4.611 4.320 -0.000 0.000 0.238 382 A C 1.418 179.053 177.584 0.085 0.000 1.070 382 A CA 0.666 52.742 52.037 0.067 0.000 0.770 382 A CB -0.043 18.952 19.000 -0.009 0.000 1.008 382 A HN 0.369 nan 8.150 nan 0.000 0.497 383 T N -1.664 112.863 114.554 -0.045 0.000 3.023 383 T HA 0.105 4.455 4.350 -0.000 0.000 0.253 383 T C 1.166 175.878 174.700 0.021 0.000 1.038 383 T CA 0.903 63.013 62.100 0.016 0.000 0.962 383 T CB -0.595 68.312 68.868 0.065 0.000 1.018 383 T HN 0.779 nan 8.240 nan 0.000 0.521 384 H N 1.603 120.757 119.070 0.140 0.000 2.321 384 H HA -0.005 4.550 4.556 -0.000 0.000 0.295 384 H C 2.653 177.994 175.328 0.022 0.000 1.102 384 H CA 1.104 57.216 56.048 0.106 0.000 1.266 384 H CB -0.579 29.285 29.762 0.169 0.000 1.363 384 H HN 0.493 nan 8.280 nan 0.000 0.492 385 G N 0.691 109.639 108.800 0.247 0.000 2.514 385 G HA2 -0.341 3.618 3.960 -0.000 0.000 0.217 385 G HA3 -0.341 3.618 3.960 -0.000 0.000 0.217 385 G C 1.968 176.689 174.900 -0.299 0.000 1.198 385 G CA 1.203 46.346 45.100 0.073 0.000 0.780 385 G HN 0.529 nan 8.290 nan 0.000 0.565 386 A N 0.272 122.790 122.820 -0.504 0.000 1.940 386 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 386 A C 2.652 180.002 177.584 -0.390 0.000 1.176 386 A CA 2.446 53.975 52.037 -0.847 0.000 0.631 386 A CB -0.858 17.507 19.000 -1.059 0.000 0.814 386 A HN 0.514 nan 8.150 nan 0.000 0.446 387 S N -1.012 114.552 115.700 -0.226 0.000 2.359 387 S HA -0.214 4.255 4.470 -0.000 0.000 0.224 387 S C 1.816 176.327 174.600 -0.147 0.000 1.035 387 S CA 1.676 59.806 58.200 -0.117 0.000 1.018 387 S CB -0.820 62.378 63.200 -0.003 0.000 0.876 387 S HN 0.646 nan 8.310 nan 0.000 0.448 388 C N 0.596 119.748 119.300 -0.246 0.000 2.466 388 C HA 0.118 4.578 4.460 -0.000 0.000 0.283 388 C C 1.120 175.819 174.990 -0.485 0.000 1.472 388 C CA 0.106 58.907 59.018 -0.361 0.000 1.765 388 C CB -1.908 25.489 27.740 -0.572 0.000 1.724 388 C HN 0.681 nan 8.230 nan 0.000 0.560 389 Y N -0.122 120.042 120.300 -0.227 0.000 2.681 389 Y HA 0.333 4.883 4.550 -0.000 0.000 0.267 389 Y C 1.673 177.476 175.900 -0.162 0.000 1.166 389 Y CA 0.195 58.188 58.100 -0.179 0.000 1.209 389 Y CB -0.412 37.920 38.460 -0.213 0.000 1.161 389 Y HN 0.256 nan 8.280 nan 0.000 0.534 390 G N 1.310 110.078 108.800 -0.053 0.000 2.258 390 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.274 390 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.274 390 G C -0.041 174.822 174.900 -0.061 0.000 1.021 390 G CA 0.427 45.508 45.100 -0.032 0.000 0.798 390 G HN 0.398 nan 8.290 nan 0.000 0.507 391 I N -0.061 120.424 120.570 -0.142 0.000 2.433 391 I HA 0.296 4.466 4.170 -0.000 0.000 0.292 391 I C -0.618 175.351 176.117 -0.247 0.000 1.001 391 I CA -0.915 60.243 61.300 -0.236 0.000 1.119 391 I CB 1.893 39.665 38.000 -0.381 0.000 1.289 391 I HN 0.016 nan 8.210 nan 0.000 0.438 392 D N 7.120 127.372 120.400 -0.246 0.000 2.500 392 D HA 0.186 4.826 4.640 -0.000 0.000 0.219 392 D C -0.508 175.593 176.300 -0.332 0.000 1.137 392 D CA -0.518 53.356 54.000 -0.211 0.000 0.946 392 D CB 0.520 41.233 40.800 -0.144 0.000 1.022 392 D HN 0.229 nan 8.370 nan 0.000 0.518 393 I N 3.102 123.461 120.570 -0.352 0.000 2.556 393 I HA 0.252 4.421 4.170 -0.000 0.000 0.284 393 I C -0.238 175.582 176.117 -0.495 0.000 1.114 393 I CA 0.147 61.196 61.300 -0.419 0.000 1.418 393 I CB 0.248 38.000 38.000 -0.413 0.000 1.394 393 I HN 0.226 nan 8.210 nan 0.000 0.552 394 R N 5.502 125.668 120.500 -0.556 0.000 2.744 394 R HA 0.521 4.861 4.340 -0.000 0.000 0.279 394 R C -1.296 174.701 176.300 -0.506 0.000 0.977 394 R CA -0.611 55.128 56.100 -0.602 0.000 0.906 394 R CB 1.226 31.215 30.300 -0.519 0.000 1.197 394 R HN 0.567 nan 8.270 nan 0.000 0.463 395 H N 4.042 123.105 119.070 -0.012 0.000 2.645 395 H HA 0.210 4.766 4.556 -0.000 0.000 0.257 395 H C -1.957 173.515 175.328 0.241 0.000 1.269 395 H CA -1.986 54.189 56.048 0.211 0.000 1.409 395 H CB 1.343 31.343 29.762 0.396 0.000 1.434 395 H HN 0.371 nan 8.280 nan 0.000 0.505 396 P HA -0.214 nan 4.420 nan 0.000 0.218 396 P C 1.193 178.594 177.300 0.168 0.000 1.150 396 P CA 1.409 64.587 63.100 0.130 0.000 0.841 396 P CB 0.029 31.760 31.700 0.053 0.000 0.784 397 F N -3.199 116.946 119.950 0.326 0.000 2.259 397 F HA -0.015 4.512 4.527 -0.000 0.000 0.298 397 F C 1.709 177.746 175.800 0.395 0.000 1.088 397 F CA 0.541 58.757 58.000 0.359 0.000 1.358 397 F CB -0.597 38.661 39.000 0.430 0.000 1.040 397 F HN -0.024 nan 8.300 nan 0.000 0.505 398 W N 3.022 124.515 121.300 0.322 0.000 1.435 398 W HA 0.136 4.795 4.660 -0.000 0.000 0.471 398 W C 0.578 177.140 176.519 0.073 0.000 0.590 398 W CA -0.252 57.187 57.345 0.157 0.000 2.419 398 W CB -0.356 29.147 29.460 0.071 0.000 1.251 398 W HN -0.082 nan 8.180 nan 0.000 0.338 399 S N -0.711 114.979 115.700 -0.016 0.000 2.651 399 S HA 0.207 4.677 4.470 -0.000 0.000 0.291 399 S C 1.048 175.466 174.600 -0.304 0.000 1.141 399 S CA -0.589 57.513 58.200 -0.163 0.000 1.027 399 S CB 1.436 64.558 63.200 -0.130 0.000 1.043 399 S HN 0.294 nan 8.310 nan 0.000 0.530 400 H N 1.981 120.904 119.070 -0.245 0.000 2.353 400 H HA -0.010 4.546 4.556 -0.000 0.000 0.300 400 H C 2.252 177.350 175.328 -0.384 0.000 1.090 400 H CA 1.930 57.795 56.048 -0.306 0.000 1.327 400 H CB -0.673 28.936 29.762 -0.256 0.000 1.383 400 H HN 0.648 nan 8.280 nan 0.000 0.508 401 S N 0.449 115.904 115.700 -0.409 0.000 2.356 401 S HA -0.099 4.370 4.470 -0.000 0.000 0.223 401 S C 2.256 176.526 174.600 -0.549 0.000 1.032 401 S CA 0.776 58.542 58.200 -0.724 0.000 1.005 401 S CB -0.272 61.927 63.200 -1.667 0.000 0.867 401 S HN 0.122 nan 8.310 nan 0.000 0.449 402 L N 1.816 122.805 121.223 -0.389 0.000 2.072 402 L HA 0.109 4.449 4.340 -0.000 0.000 0.205 402 L C 1.891 178.651 176.870 -0.182 0.000 1.079 402 L CA 1.423 56.187 54.840 -0.127 0.000 0.752 402 L CB -0.637 41.426 42.059 0.006 0.000 0.906 402 L HN 0.293 nan 8.230 nan 0.000 0.436 403 I N -1.429 118.977 120.570 -0.274 0.000 2.208 403 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 403 I C 2.358 178.357 176.117 -0.196 0.000 1.097 403 I CA 1.410 62.511 61.300 -0.333 0.000 1.363 403 I CB -0.436 37.256 38.000 -0.513 0.000 1.051 403 I HN 0.179 nan 8.210 nan 0.000 0.413 404 S N 0.601 116.195 115.700 -0.176 0.000 2.387 404 S HA -0.078 4.392 4.470 -0.000 0.000 0.226 404 S C 1.987 176.569 174.600 -0.031 0.000 1.026 404 S CA 0.845 58.981 58.200 -0.106 0.000 0.972 404 S CB -0.242 62.877 63.200 -0.135 0.000 0.814 404 S HN 0.367 nan 8.310 nan 0.000 0.477 405 L N 0.874 122.068 121.223 -0.048 0.000 1.994 405 L HA -0.181 4.158 4.340 -0.000 0.000 0.208 405 L C 2.057 178.927 176.870 0.001 0.000 1.071 405 L CA 1.573 56.421 54.840 0.013 0.000 0.745 405 L CB -0.464 41.639 42.059 0.073 0.000 0.892 405 L HN 0.405 nan 8.230 nan 0.000 0.431 406 C N -1.230 118.030 119.300 -0.068 0.000 2.448 406 C HA -0.117 4.342 4.460 -0.000 0.000 0.280 406 C C 2.451 177.404 174.990 -0.062 0.000 1.398 406 C CA 0.468 59.416 59.018 -0.116 0.000 1.774 406 C CB -1.394 26.148 27.740 -0.331 0.000 1.888 406 C HN 0.672 nan 8.230 nan 0.000 0.519 407 H N 2.004 121.010 119.070 -0.108 0.000 2.272 407 H HA -0.237 4.319 4.556 -0.000 0.000 0.289 407 H C 1.795 177.097 175.328 -0.044 0.000 1.100 407 H CA 2.592 58.593 56.048 -0.079 0.000 1.209 407 H CB -0.096 29.622 29.762 -0.074 0.000 1.348 407 H HN 0.396 nan 8.280 nan 0.000 0.481 408 A N -0.129 122.578 122.820 -0.187 0.000 2.571 408 A HA 0.291 4.611 4.320 -0.000 0.000 0.274 408 A C 0.157 177.712 177.584 -0.048 0.000 1.196 408 A CA -0.307 51.606 52.037 -0.207 0.000 0.957 408 A CB -0.197 18.727 19.000 -0.126 0.000 1.150 408 A HN 0.345 nan 8.150 nan 0.000 0.539 409 L N 1.381 122.609 121.223 0.008 0.000 2.593 409 L HA -0.017 4.323 4.340 -0.000 0.000 0.287 409 L C 0.751 177.724 176.870 0.171 0.000 1.243 409 L CA 0.355 55.263 54.840 0.112 0.000 0.890 409 L CB -0.158 41.971 42.059 0.116 0.000 1.134 409 L HN 0.499 nan 8.230 nan 0.000 0.502 410 H N 7.134 126.304 119.070 0.167 0.000 3.192 410 H HA -0.024 4.531 4.556 -0.000 0.000 0.295 410 H C -1.755 173.631 175.328 0.097 0.000 0.943 410 H CA -0.948 55.161 56.048 0.102 0.000 1.416 410 H CB 0.768 30.562 29.762 0.053 0.000 1.434 410 H HN 0.541 nan 8.280 nan 0.000 0.565 411 P HA -0.176 nan 4.420 nan 0.000 0.217 411 P C 1.032 178.462 177.300 0.217 0.000 1.148 411 P CA 1.407 64.593 63.100 0.143 0.000 0.834 411 P CB 0.321 32.043 31.700 0.037 0.000 0.783 412 D N -2.346 118.203 120.400 0.248 0.000 2.311 412 D HA -0.163 4.477 4.640 -0.000 0.000 0.212 412 D C 1.299 177.473 176.300 -0.210 0.000 0.972 412 D CA 1.138 55.031 54.000 -0.178 0.000 0.887 412 D CB -0.454 39.908 40.800 -0.730 0.000 0.915 412 D HN 0.331 nan 8.370 nan 0.000 0.497 413 Y N 0.382 120.725 120.300 0.072 0.000 2.510 413 Y HA 0.130 4.680 4.550 -0.000 0.000 0.273 413 Y C 2.086 178.087 175.900 0.169 0.000 1.119 413 Y CA 0.392 58.550 58.100 0.096 0.000 1.286 413 Y CB 0.334 38.865 38.460 0.119 0.000 1.061 413 Y HN -0.098 nan 8.280 nan 0.000 0.542 414 K N -0.184 120.408 120.400 0.319 0.000 2.276 414 K HA 0.262 4.582 4.320 -0.000 0.000 0.198 414 K C 0.094 176.837 176.600 0.237 0.000 1.052 414 K CA 0.508 56.959 56.287 0.274 0.000 0.984 414 K CB 1.160 33.787 32.500 0.212 0.000 0.836 414 K HN 0.081 nan 8.250 nan 0.000 0.490 415 I N 0.100 120.822 120.570 0.254 0.000 2.611 415 I HA 0.364 4.534 4.170 -0.000 0.000 0.287 415 I C -2.019 174.329 176.117 0.386 0.000 1.184 415 I CA -0.809 60.655 61.300 0.273 0.000 1.054 415 I CB 1.158 39.307 38.000 0.248 0.000 1.257 415 I HN -0.064 nan 8.210 nan 0.000 0.435 416 F N 5.784 125.803 119.950 0.116 0.000 2.703 416 F HA 0.277 4.804 4.527 -0.000 0.000 0.308 416 F C -0.304 175.543 175.800 0.078 0.000 1.126 416 F CA -0.536 57.515 58.000 0.084 0.000 0.959 416 F CB 1.429 40.468 39.000 0.065 0.000 1.297 416 F HN 0.510 nan 8.300 nan 0.000 0.441 417 D N 4.389 124.562 120.400 -0.377 0.000 2.810 417 D HA -0.249 4.391 4.640 -0.000 0.000 0.224 417 D C -0.046 176.220 176.300 -0.057 0.000 1.222 417 D CA 1.491 55.352 54.000 -0.232 0.000 0.698 417 D CB -0.489 40.231 40.800 -0.133 0.000 0.961 417 D HN 0.726 nan 8.370 nan 0.000 0.403 418 N N -0.431 118.244 118.700 -0.042 0.000 2.681 418 N HA -0.226 4.514 4.740 -0.000 0.000 0.250 418 N C 0.008 175.558 175.510 0.067 0.000 1.133 418 N CA 1.303 54.358 53.050 0.009 0.000 0.732 418 N CB -0.196 38.283 38.487 -0.012 0.000 1.107 418 N HN 0.567 nan 8.380 nan 0.000 0.559 419 E N -0.427 119.843 120.200 0.116 0.000 2.355 419 E HA 0.703 5.053 4.350 -0.000 0.000 0.261 419 E C -0.437 176.278 176.600 0.191 0.000 0.943 419 E CA -0.780 55.726 56.400 0.177 0.000 0.806 419 E CB 2.750 32.599 29.700 0.247 0.000 1.286 419 E HN -0.086 nan 8.360 nan 0.000 0.424 420 V N 0.977 121.005 119.914 0.190 0.000 3.049 420 V HA 0.219 4.339 4.120 -0.000 0.000 0.309 420 V C -0.633 175.553 176.094 0.152 0.000 1.148 420 V CA -0.713 61.688 62.300 0.168 0.000 0.990 420 V CB 1.875 33.775 31.823 0.128 0.000 1.039 420 V HN 0.761 nan 8.190 nan 0.000 0.430 421 K N 2.053 122.551 120.400 0.162 0.000 3.088 421 K HA -0.263 4.056 4.320 -0.000 0.000 0.273 421 K C 0.948 177.592 176.600 0.072 0.000 1.111 421 K CA 0.924 57.285 56.287 0.124 0.000 0.803 421 K CB -1.206 31.319 32.500 0.041 0.000 1.226 421 K HN 0.760 nan 8.250 nan 0.000 0.485 422 N N 0.898 119.703 118.700 0.174 0.000 2.027 422 N HA -0.225 4.515 4.740 -0.000 0.000 0.200 422 N C 1.530 177.127 175.510 0.145 0.000 1.042 422 N CA 1.827 55.005 53.050 0.212 0.000 0.871 422 N CB -0.198 38.460 38.487 0.286 0.000 1.063 422 N HN 0.329 nan 8.380 nan 0.000 0.438 423 I N 0.539 121.210 120.570 0.168 0.000 2.264 423 I HA -0.143 4.027 4.170 -0.000 0.000 0.248 423 I C 1.892 177.967 176.117 -0.069 0.000 1.111 423 I CA 1.008 62.361 61.300 0.089 0.000 1.382 423 I CB -0.273 37.758 38.000 0.051 0.000 1.060 423 I HN 0.236 nan 8.210 nan 0.000 0.418 424 L N -0.607 120.464 121.223 -0.253 0.000 2.093 424 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 424 L C 2.632 179.385 176.870 -0.196 0.000 1.085 424 L CA 1.248 55.861 54.840 -0.379 0.000 0.755 424 L CB -0.384 41.262 42.059 -0.688 0.000 0.904 424 L HN 0.163 nan 8.230 nan 0.000 0.435 425 R N 0.263 120.605 120.500 -0.262 0.000 2.066 425 R HA -0.155 4.185 4.340 -0.000 0.000 0.232 425 R C 2.098 178.200 176.300 -0.330 0.000 1.131 425 R CA 1.372 57.159 56.100 -0.522 0.000 0.955 425 R CB -0.364 29.348 30.300 -0.981 0.000 0.851 425 R HN 0.441 nan 8.270 nan 0.000 0.432 426 E N -1.031 119.127 120.200 -0.069 0.000 2.085 426 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 426 E C 1.702 178.323 176.600 0.034 0.000 0.994 426 E CA 1.509 57.956 56.400 0.078 0.000 0.801 426 E CB -0.336 29.452 29.700 0.146 0.000 0.743 426 E HN 0.384 nan 8.360 nan 0.000 0.453 427 Y N 1.469 121.721 120.300 -0.081 0.000 2.200 427 Y HA -0.129 4.421 4.550 -0.000 0.000 0.290 427 Y C 2.289 178.142 175.900 -0.078 0.000 1.137 427 Y CA 1.153 59.207 58.100 -0.076 0.000 1.163 427 Y CB -0.454 37.944 38.460 -0.103 0.000 0.988 427 Y HN -0.014 nan 8.280 nan 0.000 0.518 428 A N 0.927 123.587 122.820 -0.268 0.000 1.865 428 A HA -0.246 4.073 4.320 -0.000 0.000 0.217 428 A C 1.825 179.239 177.584 -0.283 0.000 1.191 428 A CA 2.168 54.013 52.037 -0.321 0.000 0.623 428 A CB -1.155 17.716 19.000 -0.215 0.000 0.826 428 A HN 0.671 nan 8.150 nan 0.000 0.444 429 D N 0.187 120.469 120.400 -0.197 0.000 2.371 429 D HA -0.084 4.556 4.640 -0.000 0.000 0.221 429 D C 1.700 177.955 176.300 -0.076 0.000 0.986 429 D CA 1.239 55.187 54.000 -0.086 0.000 0.899 429 D CB -0.803 40.027 40.800 0.050 0.000 0.902 429 D HN 0.493 nan 8.370 nan 0.000 0.530 430 S N -0.302 115.316 115.700 -0.137 0.000 2.515 430 S HA -0.052 4.418 4.470 -0.000 0.000 0.231 430 S C 1.659 176.171 174.600 -0.146 0.000 0.987 430 S CA 0.009 58.145 58.200 -0.106 0.000 0.936 430 S CB -0.349 62.792 63.200 -0.098 0.000 0.766 430 S HN 0.103 nan 8.310 nan 0.000 0.528 431 L N 1.041 122.131 121.223 -0.220 0.000 2.313 431 L HA 0.245 4.585 4.340 -0.000 0.000 0.214 431 L C 1.177 177.989 176.870 -0.096 0.000 1.119 431 L CA 0.957 55.686 54.840 -0.185 0.000 0.809 431 L CB -1.396 40.518 42.059 -0.241 0.000 0.933 431 L HN 0.400 nan 8.230 nan 0.000 0.449 432 Q N -1.203 118.555 119.800 -0.070 0.000 2.451 432 Q HA -0.254 4.086 4.340 -0.000 0.000 0.305 432 Q C 0.455 176.438 176.000 -0.027 0.000 1.345 432 Q CA 0.219 56.003 55.803 -0.032 0.000 0.854 432 Q CB -1.278 27.447 28.738 -0.021 0.000 1.162 432 Q HN 0.272 nan 8.270 nan 0.000 0.440 433 L N -1.570 119.632 121.223 -0.034 0.000 2.854 433 L HA 0.270 4.609 4.340 -0.000 0.000 0.249 433 L C -0.200 176.665 176.870 -0.009 0.000 1.091 433 L CA 0.617 55.444 54.840 -0.021 0.000 0.935 433 L CB 0.678 42.721 42.059 -0.027 0.000 1.367 433 L HN 0.169 nan 8.230 nan 0.000 0.524 434 L N 1.394 122.608 121.223 -0.015 0.000 2.325 434 L HA 0.533 4.872 4.340 -0.000 0.000 0.278 434 L C -2.074 174.809 176.870 0.021 0.000 1.023 434 L CA -1.853 52.986 54.840 -0.001 0.000 0.811 434 L CB 0.892 42.939 42.059 -0.020 0.000 1.249 434 L HN -0.093 nan 8.230 nan 0.000 0.431 435 P HA 0.086 nan 4.420 nan 0.000 0.268 435 P C -0.080 177.283 177.300 0.105 0.000 1.205 435 P CA -0.397 62.744 63.100 0.069 0.000 0.771 435 P CB 0.747 32.489 31.700 0.070 0.000 0.858 436 K N 2.360 122.850 120.400 0.149 0.000 2.113 436 K HA -0.172 4.148 4.320 -0.000 0.000 0.208 436 K C 1.359 178.150 176.600 0.319 0.000 1.047 436 K CA 1.883 58.334 56.287 0.273 0.000 0.928 436 K CB -0.826 31.818 32.500 0.239 0.000 0.716 436 K HN 0.628 nan 8.250 nan 0.000 0.446 437 D N 0.658 121.187 120.400 0.215 0.000 2.219 437 D HA -0.142 4.498 4.640 -0.000 0.000 0.205 437 D C 1.775 178.188 176.300 0.189 0.000 0.970 437 D CA 0.673 54.804 54.000 0.219 0.000 0.851 437 D CB -0.188 40.736 40.800 0.206 0.000 0.943 437 D HN 0.062 nan 8.370 nan 0.000 0.488 438 I N 0.865 121.521 120.570 0.144 0.000 2.277 438 I HA -0.133 4.036 4.170 -0.000 0.000 0.243 438 I C 2.580 178.682 176.117 -0.024 0.000 1.094 438 I CA 0.412 61.755 61.300 0.072 0.000 1.393 438 I CB -0.867 37.176 38.000 0.072 0.000 1.078 438 I HN -0.043 nan 8.210 nan 0.000 0.417 439 V N -0.723 119.148 119.914 -0.072 0.000 2.594 439 V HA -0.228 3.892 4.120 -0.000 0.000 0.253 439 V C 1.257 177.000 176.094 -0.585 0.000 1.069 439 V CA 1.439 63.533 62.300 -0.343 0.000 1.082 439 V CB -0.720 30.845 31.823 -0.431 0.000 0.680 439 V HN 0.481 nan 8.190 nan 0.000 0.469 440 W N -0.488 120.818 121.300 0.011 0.000 2.926 440 W HA 0.429 5.089 4.660 -0.000 0.000 0.419 440 W C 0.976 177.489 176.519 -0.011 0.000 0.993 440 W CA -0.890 56.460 57.345 0.008 0.000 2.025 440 W CB 0.069 29.540 29.460 0.019 0.000 1.152 440 W HN -0.072 nan 8.180 nan 0.000 0.659 441 R N 1.785 122.319 120.500 0.057 0.000 2.543 441 R HA 0.209 4.549 4.340 -0.000 0.000 0.277 441 R C 0.416 176.692 176.300 -0.040 0.000 1.074 441 R CA -0.252 55.828 56.100 -0.035 0.000 1.076 441 R CB 0.526 30.710 30.300 -0.192 0.000 0.993 441 R HN -0.278 nan 8.270 nan 0.000 0.459 442 K N 2.461 122.831 120.400 -0.049 0.000 2.326 442 K HA 0.031 4.350 4.320 -0.000 0.000 0.275 442 K C -0.714 175.840 176.600 -0.076 0.000 1.018 442 K CA -0.198 56.071 56.287 -0.030 0.000 0.962 442 K CB 0.649 33.140 32.500 -0.016 0.000 0.953 442 K HN 0.526 nan 8.250 nan 0.000 0.475 443 K N 2.939 123.309 120.400 -0.050 0.000 2.436 443 K HA 0.174 4.494 4.320 -0.000 0.000 0.275 443 K C -0.847 175.705 176.600 -0.080 0.000 0.999 443 K CA 0.685 56.932 56.287 -0.067 0.000 0.980 443 K CB 0.275 32.749 32.500 -0.044 0.000 0.919 443 K HN 0.506 nan 8.250 nan 0.000 0.484 444 I N 3.245 123.758 120.570 -0.096 0.000 2.599 444 I HA 0.257 4.427 4.170 -0.000 0.000 0.285 444 I C 0.268 176.328 176.117 -0.095 0.000 1.168 444 I CA -1.107 60.133 61.300 -0.100 0.000 1.060 444 I CB 2.063 39.997 38.000 -0.111 0.000 1.249 444 I HN 0.936 nan 8.210 nan 0.000 0.442 445 G N 4.101 112.833 108.800 -0.114 0.000 2.699 445 G HA2 0.196 4.156 3.960 -0.000 0.000 0.246 445 G HA3 0.196 4.156 3.960 -0.000 0.000 0.246 445 G C 0.920 175.795 174.900 -0.043 0.000 1.219 445 G CA -0.250 44.801 45.100 -0.082 0.000 0.866 445 G HN 0.786 nan 8.290 nan 0.000 0.572 446 I N -0.232 120.385 120.570 0.079 0.000 2.179 446 I HA -0.188 3.981 4.170 -0.000 0.000 0.242 446 I C 2.520 178.714 176.117 0.129 0.000 1.088 446 I CA 1.982 63.344 61.300 0.104 0.000 1.357 446 I CB -0.160 37.916 38.000 0.127 0.000 1.051 446 I HN 0.811 nan 8.210 nan 0.000 0.409 447 H N -0.941 118.145 119.070 0.026 0.000 2.524 447 H HA 0.045 4.601 4.556 -0.000 0.000 0.282 447 H C 1.801 177.161 175.328 0.054 0.000 1.016 447 H CA 0.747 56.830 56.048 0.057 0.000 1.270 447 H CB -0.209 29.613 29.762 0.100 0.000 1.394 447 H HN 0.450 nan 8.280 nan 0.000 0.568 448 E N 0.905 120.884 120.200 -0.368 0.000 2.045 448 E HA 0.005 4.355 4.350 -0.000 0.000 0.190 448 E C 2.626 179.156 176.600 -0.116 0.000 0.968 448 E CA 0.499 56.728 56.400 -0.284 0.000 0.813 448 E CB -0.160 29.328 29.700 -0.353 0.000 0.780 448 E HN 0.588 nan 8.360 nan 0.000 0.455 449 G N 1.163 109.909 108.800 -0.089 0.000 2.462 449 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 449 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 449 G C 1.612 176.489 174.900 -0.038 0.000 1.121 449 G CA 1.283 46.356 45.100 -0.045 0.000 0.758 449 G HN 0.353 nan 8.290 nan 0.000 0.559 450 S N -1.468 114.217 115.700 -0.025 0.000 2.540 450 S HA 0.311 4.781 4.470 -0.000 0.000 0.218 450 S C 1.210 175.803 174.600 -0.011 0.000 0.977 450 S CA 0.853 59.036 58.200 -0.027 0.000 0.918 450 S CB 0.230 63.434 63.200 0.006 0.000 0.806 450 S HN 0.292 nan 8.310 nan 0.000 0.496 451 S N -0.025 115.672 115.700 -0.006 0.000 3.476 451 S HA -0.149 4.321 4.470 -0.000 0.000 0.309 451 S C 0.981 175.611 174.600 0.050 0.000 1.222 451 S CA 0.636 58.843 58.200 0.012 0.000 0.922 451 S CB -2.243 60.957 63.200 -0.001 0.000 1.023 451 S HN 0.514 nan 8.310 nan 0.000 0.591 452 V N 1.882 121.843 119.914 0.078 0.000 2.469 452 V HA -0.299 3.821 4.120 -0.000 0.000 0.251 452 V C 2.321 178.520 176.094 0.174 0.000 1.064 452 V CA 2.314 64.681 62.300 0.111 0.000 1.066 452 V CB -0.638 31.258 31.823 0.122 0.000 0.667 452 V HN 0.906 nan 8.190 nan 0.000 0.461 453 N N 0.730 119.552 118.700 0.204 0.000 2.223 453 N HA -0.231 4.509 4.740 -0.000 0.000 0.185 453 N C 1.688 177.270 175.510 0.120 0.000 1.016 453 N CA 1.676 54.866 53.050 0.233 0.000 0.863 453 N CB -0.532 38.125 38.487 0.282 0.000 0.983 453 N HN 0.510 nan 8.380 nan 0.000 0.429 454 Q N 0.427 120.276 119.800 0.082 0.000 2.096 454 Q HA 0.270 4.610 4.340 -0.000 0.000 0.197 454 Q C 2.015 178.044 176.000 0.048 0.000 0.964 454 Q CA 1.627 57.453 55.803 0.038 0.000 0.838 454 Q CB -0.573 28.179 28.738 0.023 0.000 0.906 454 Q HN 0.422 nan 8.270 nan 0.000 0.444 455 A N -0.128 122.737 122.820 0.074 0.000 1.933 455 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 455 A C 2.098 179.760 177.584 0.131 0.000 1.175 455 A CA 1.307 53.389 52.037 0.074 0.000 0.628 455 A CB -1.016 18.022 19.000 0.062 0.000 0.814 455 A HN 0.615 nan 8.150 nan 0.000 0.444 456 F N 0.350 120.274 119.950 -0.044 0.000 2.128 456 F HA -0.054 4.473 4.527 -0.000 0.000 0.295 456 F C 2.608 178.331 175.800 -0.128 0.000 1.100 456 F CA 0.757 58.709 58.000 -0.080 0.000 1.260 456 F CB -0.027 38.941 39.000 -0.053 0.000 1.009 456 F HN 0.319 nan 8.300 nan 0.000 0.476 457 A N 0.742 123.522 122.820 -0.066 0.000 1.933 457 A HA -0.230 4.089 4.320 -0.000 0.000 0.218 457 A C 1.753 179.258 177.584 -0.131 0.000 1.175 457 A CA 1.844 53.755 52.037 -0.211 0.000 0.628 457 A CB -0.848 18.051 19.000 -0.168 0.000 0.814 457 A HN 0.475 nan 8.150 nan 0.000 0.444 458 N N 0.330 118.998 118.700 -0.053 0.000 2.166 458 N HA -0.144 4.596 4.740 -0.000 0.000 0.186 458 N C 1.845 177.323 175.510 -0.053 0.000 1.019 458 N CA 1.955 54.979 53.050 -0.043 0.000 0.856 458 N CB -0.728 37.751 38.487 -0.013 0.000 0.993 458 N HN 0.568 nan 8.380 nan 0.000 0.426 459 V N -1.172 118.718 119.914 -0.040 0.000 2.548 459 V HA 0.037 4.157 4.120 -0.000 0.000 0.249 459 V C 1.875 177.883 176.094 -0.144 0.000 1.055 459 V CA 1.145 63.407 62.300 -0.064 0.000 1.065 459 V CB -0.682 31.124 31.823 -0.029 0.000 0.681 459 V HN 0.126 nan 8.190 nan 0.000 0.462 460 L N 1.192 122.288 121.223 -0.211 0.000 2.509 460 L HA 0.408 4.747 4.340 -0.000 0.000 0.222 460 L C 1.813 178.573 176.870 -0.183 0.000 1.123 460 L CA 0.749 55.421 54.840 -0.279 0.000 0.856 460 L CB -0.721 41.078 42.059 -0.433 0.000 0.985 460 L HN 0.635 nan 8.230 nan 0.000 0.456 461 G N 0.877 109.591 108.800 -0.143 0.000 2.272 461 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.280 461 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.280 461 G C 0.092 174.926 174.900 -0.109 0.000 1.067 461 G CA 0.583 45.621 45.100 -0.103 0.000 0.902 461 G HN 0.373 nan 8.290 nan 0.000 0.500 462 S N -1.747 113.868 115.700 -0.142 0.000 2.704 462 S HA 0.813 5.283 4.470 -0.000 0.000 0.296 462 S C 0.337 174.856 174.600 -0.135 0.000 1.138 462 S CA 0.589 58.705 58.200 -0.140 0.000 0.875 462 S CB 1.892 64.981 63.200 -0.185 0.000 1.151 462 S HN 1.187 nan 8.310 nan 0.000 0.500 463 T N 1.279 115.766 114.554 -0.112 0.000 2.918 463 T HA 0.262 4.612 4.350 -0.000 0.000 0.302 463 T C 1.478 176.099 174.700 -0.132 0.000 1.045 463 T CA -0.207 61.838 62.100 -0.091 0.000 1.114 463 T CB 0.319 69.155 68.868 -0.054 0.000 0.965 463 T HN 0.449 nan 8.240 nan 0.000 0.540 464 V N 3.879 123.734 119.914 -0.098 0.000 2.546 464 V HA -0.123 3.997 4.120 -0.000 0.000 0.254 464 V C 2.290 178.319 176.094 -0.109 0.000 1.076 464 V CA 2.286 64.520 62.300 -0.109 0.000 1.087 464 V CB -0.723 31.088 31.823 -0.020 0.000 0.674 464 V HN 0.900 nan 8.190 nan 0.000 0.470 465 D N -0.231 120.159 120.400 -0.018 0.000 2.149 465 D HA -0.093 4.547 4.640 -0.000 0.000 0.201 465 D C 1.314 177.671 176.300 0.095 0.000 0.972 465 D CA 0.414 54.474 54.000 0.100 0.000 0.835 465 D CB -0.180 40.666 40.800 0.077 0.000 0.966 465 D HN 0.301 nan 8.370 nan 0.000 0.476 466 N N 0.470 119.136 118.700 -0.057 0.000 2.400 466 N HA -0.099 4.640 4.740 -0.000 0.000 0.278 466 N C -0.391 175.014 175.510 -0.176 0.000 1.247 466 N CA 0.255 53.269 53.050 -0.061 0.000 0.970 466 N CB -0.115 38.319 38.487 -0.088 0.000 1.312 466 N HN 0.239 nan 8.380 nan 0.000 0.488 467 Y N 1.094 121.383 120.300 -0.018 0.000 2.482 467 Y HA 0.038 4.588 4.550 -0.000 0.000 0.270 467 Y C 2.230 178.135 175.900 0.008 0.000 1.152 467 Y CA 0.245 58.340 58.100 -0.009 0.000 1.292 467 Y CB 0.309 38.781 38.460 0.020 0.000 1.070 467 Y HN 0.582 nan 8.280 nan 0.000 0.528 468 Q N -0.445 119.417 119.800 0.104 0.000 2.137 468 Q HA -0.115 4.224 4.340 -0.000 0.000 0.198 468 Q C 1.554 177.582 176.000 0.046 0.000 0.960 468 Q CA 1.763 57.614 55.803 0.081 0.000 0.847 468 Q CB 0.068 28.841 28.738 0.059 0.000 0.915 468 Q HN 0.275 nan 8.270 nan 0.000 0.448 469 T N 0.896 115.440 114.554 -0.016 0.000 2.951 469 T HA -0.038 4.312 4.350 -0.000 0.000 0.268 469 T C 1.415 176.076 174.700 -0.065 0.000 1.073 469 T CA 1.047 63.121 62.100 -0.043 0.000 1.134 469 T CB 0.051 68.858 68.868 -0.101 0.000 0.884 469 T HN 0.285 nan 8.240 nan 0.000 0.479 470 K N 0.997 121.310 120.400 -0.145 0.000 2.062 470 K HA 0.059 4.378 4.320 -0.000 0.000 0.205 470 K C 2.701 179.398 176.600 0.162 0.000 1.051 470 K CA 1.018 57.193 56.287 -0.186 0.000 0.941 470 K CB -0.126 32.138 32.500 -0.394 0.000 0.719 470 K HN 0.125 nan 8.250 nan 0.000 0.440 471 S N 1.109 116.911 115.700 0.171 0.000 2.382 471 S HA -0.121 4.348 4.470 -0.000 0.000 0.228 471 S C 1.899 176.648 174.600 0.249 0.000 1.027 471 S CA 1.143 59.481 58.200 0.230 0.000 0.991 471 S CB -0.137 63.180 63.200 0.194 0.000 0.823 471 S HN 0.173 nan 8.310 nan 0.000 0.469 472 R N 0.803 121.425 120.500 0.203 0.000 2.083 472 R HA -0.050 4.289 4.340 -0.000 0.000 0.237 472 R C 1.867 178.312 176.300 0.242 0.000 1.137 472 R CA 1.495 57.722 56.100 0.211 0.000 0.951 472 R CB -0.888 29.500 30.300 0.147 0.000 0.851 472 R HN 0.447 nan 8.270 nan 0.000 0.434 473 F N 0.880 120.891 119.950 0.102 0.000 2.051 473 F HA -0.237 4.289 4.527 -0.000 0.000 0.296 473 F C 2.304 178.199 175.800 0.159 0.000 1.122 473 F CA 2.285 60.351 58.000 0.110 0.000 1.201 473 F CB -1.115 37.959 39.000 0.124 0.000 0.978 473 F HN 0.223 nan 8.300 nan 0.000 0.472 474 T N -1.817 112.840 114.554 0.172 0.000 2.720 474 T HA -0.346 4.003 4.350 -0.000 0.000 0.268 474 T C 2.075 176.864 174.700 0.149 0.000 1.037 474 T CA 1.843 64.002 62.100 0.098 0.000 1.144 474 T CB -1.676 67.352 68.868 0.267 0.000 0.864 474 T HN 0.590 nan 8.240 nan 0.000 0.444 475 Y N 1.613 121.961 120.300 0.080 0.000 2.224 475 Y HA -0.067 4.483 4.550 -0.000 0.000 0.289 475 Y C 2.954 178.866 175.900 0.021 0.000 1.146 475 Y CA 1.023 59.177 58.100 0.090 0.000 1.182 475 Y CB -0.057 38.447 38.460 0.073 0.000 0.983 475 Y HN 0.074 nan 8.280 nan 0.000 0.524 476 R N 0.181 120.618 120.500 -0.105 0.000 2.070 476 R HA -0.173 4.167 4.340 -0.000 0.000 0.233 476 R C 2.410 178.490 176.300 -0.367 0.000 1.137 476 R CA 2.047 57.985 56.100 -0.270 0.000 0.945 476 R CB -0.856 29.341 30.300 -0.171 0.000 0.845 476 R HN 0.443 nan 8.270 nan 0.000 0.430 477 V N -0.987 118.662 119.914 -0.441 0.000 2.515 477 V HA -0.175 3.945 4.120 -0.000 0.000 0.250 477 V C 1.930 177.785 176.094 -0.398 0.000 1.058 477 V CA 1.643 63.606 62.300 -0.561 0.000 1.064 477 V CB -0.912 30.485 31.823 -0.710 0.000 0.675 477 V HN 0.422 nan 8.190 nan 0.000 0.461 478 Y N 1.941 122.083 120.300 -0.265 0.000 2.081 478 Y HA -0.293 4.257 4.550 -0.000 0.000 0.280 478 Y C 2.679 178.434 175.900 -0.241 0.000 1.163 478 Y CA 2.715 60.772 58.100 -0.071 0.000 1.135 478 Y CB -0.454 38.072 38.460 0.109 0.000 0.970 478 Y HN 0.347 nan 8.280 nan 0.000 0.498 479 Q N -0.262 119.219 119.800 -0.531 0.000 2.119 479 Q HA -0.145 4.195 4.340 -0.000 0.000 0.201 479 Q C 2.537 178.201 176.000 -0.560 0.000 0.972 479 Q CA 1.296 56.495 55.803 -1.005 0.000 0.847 479 Q CB -0.393 27.618 28.738 -1.211 0.000 0.903 479 Q HN 0.624 nan 8.270 nan 0.000 0.433 480 A N 0.491 123.056 122.820 -0.424 0.000 1.902 480 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 480 A C 1.840 179.338 177.584 -0.144 0.000 1.181 480 A CA 1.150 53.002 52.037 -0.307 0.000 0.623 480 A CB -0.832 17.928 19.000 -0.400 0.000 0.818 480 A HN 0.366 nan 8.150 nan 0.000 0.443 481 F N -1.044 118.818 119.950 -0.148 0.000 2.163 481 F HA -0.110 4.417 4.527 -0.000 0.000 0.297 481 F C 1.989 177.756 175.800 -0.056 0.000 1.094 481 F CA 0.459 58.439 58.000 -0.032 0.000 1.290 481 F CB -0.071 38.971 39.000 0.070 0.000 1.017 481 F HN 0.138 nan 8.300 nan 0.000 0.483 482 L N -0.197 121.030 121.223 0.008 0.000 2.291 482 L HA -0.075 4.265 4.340 -0.000 0.000 0.214 482 L C 1.979 178.887 176.870 0.064 0.000 1.120 482 L CA 1.417 56.245 54.840 -0.020 0.000 0.799 482 L CB -0.630 41.383 42.059 -0.077 0.000 0.925 482 L HN -0.053 nan 8.230 nan 0.000 0.446 483 R N -0.721 119.804 120.500 0.043 0.000 2.310 483 R HA 0.132 4.471 4.340 -0.000 0.000 0.202 483 R C 1.170 177.498 176.300 0.046 0.000 0.933 483 R CA 0.619 56.762 56.100 0.072 0.000 1.054 483 R CB -0.023 30.299 30.300 0.037 0.000 0.985 483 R HN 0.421 nan 8.270 nan 0.000 0.489 484 G N 1.338 110.178 108.800 0.067 0.000 2.155 484 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.257 484 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.257 484 G C 0.722 175.647 174.900 0.042 0.000 0.983 484 G CA 0.413 45.554 45.100 0.069 0.000 0.676 484 G HN 0.372 nan 8.290 nan 0.000 0.528 485 R N -0.816 119.697 120.500 0.022 0.000 2.310 485 R HA 0.466 4.805 4.340 -0.000 0.000 0.202 485 R C 0.503 176.799 176.300 -0.008 0.000 0.933 485 R CA 0.381 56.474 56.100 -0.012 0.000 1.054 485 R CB 0.314 30.585 30.300 -0.049 0.000 0.985 485 R HN 0.412 nan 8.270 nan 0.000 0.489 486 L N 0.274 121.535 121.223 0.064 0.000 2.580 486 L HA 0.214 4.554 4.340 -0.000 0.000 0.266 486 L C -0.905 176.111 176.870 0.243 0.000 0.955 486 L CA -0.523 54.389 54.840 0.120 0.000 0.886 486 L CB 2.309 44.362 42.059 -0.009 0.000 1.263 486 L HN -0.084 nan 8.230 nan 0.000 0.406 487 S N 1.950 117.696 115.700 0.077 0.000 2.499 487 S HA 0.234 4.703 4.470 -0.000 0.000 0.279 487 S C 0.904 175.376 174.600 -0.213 0.000 1.219 487 S CA -0.519 57.638 58.200 -0.071 0.000 1.062 487 S CB 1.004 64.152 63.200 -0.087 0.000 0.978 487 S HN 0.558 nan 8.310 nan 0.000 0.489 488 I N 5.793 125.969 120.570 -0.657 0.000 2.423 488 I HA -0.142 4.028 4.170 -0.000 0.000 0.254 488 I C 2.340 178.231 176.117 -0.377 0.000 1.151 488 I CA 2.441 63.213 61.300 -0.880 0.000 1.421 488 I CB -0.694 36.305 38.000 -1.669 0.000 1.079 488 I HN 0.951 nan 8.210 nan 0.000 0.431 489 T N -1.923 112.477 114.554 -0.257 0.000 2.643 489 T HA -0.206 4.144 4.350 -0.000 0.000 0.264 489 T C 1.238 175.892 174.700 -0.077 0.000 1.045 489 T CA 1.335 63.355 62.100 -0.132 0.000 1.155 489 T CB -0.570 68.234 68.868 -0.107 0.000 0.863 489 T HN 0.401 nan 8.240 nan 0.000 0.420 490 D N 2.112 122.473 120.400 -0.064 0.000 2.772 490 D HA 0.395 5.035 4.640 -0.000 0.000 0.273 490 D C -0.692 175.603 176.300 -0.008 0.000 1.233 490 D CA -0.688 53.295 54.000 -0.028 0.000 0.984 490 D CB 0.146 40.931 40.800 -0.025 0.000 1.000 490 D HN 0.487 nan 8.370 nan 0.000 0.514 491 V N -0.009 119.908 119.914 0.006 0.000 2.709 491 V HA 0.867 4.987 4.120 -0.000 0.000 0.308 491 V C -0.120 176.003 176.094 0.048 0.000 1.062 491 V CA -0.792 61.533 62.300 0.043 0.000 0.901 491 V CB 1.363 33.260 31.823 0.123 0.000 1.003 491 V HN 0.332 nan 8.190 nan 0.000 0.425 492 T N 0.605 115.186 114.554 0.045 0.000 2.909 492 T HA 0.626 4.975 4.350 -0.000 0.000 0.299 492 T C -2.053 172.682 174.700 0.059 0.000 1.073 492 T CA -1.595 60.535 62.100 0.051 0.000 0.999 492 T CB 2.409 71.300 68.868 0.037 0.000 1.098 492 T HN 0.489 nan 8.240 nan 0.000 0.477 493 P HA -0.113 nan 4.420 nan 0.000 0.225 493 P C 1.541 178.882 177.300 0.069 0.000 1.148 493 P CA 1.023 64.178 63.100 0.091 0.000 0.779 493 P CB -0.030 31.720 31.700 0.083 0.000 0.780 494 S N 0.261 115.989 115.700 0.047 0.000 2.481 494 S HA -0.142 4.328 4.470 -0.000 0.000 0.231 494 S C 1.744 176.362 174.600 0.030 0.000 0.996 494 S CA 0.370 58.590 58.200 0.033 0.000 0.942 494 S CB -1.056 62.159 63.200 0.025 0.000 0.768 494 S HN 0.411 nan 8.310 nan 0.000 0.520 495 Q N 0.531 120.350 119.800 0.032 0.000 2.201 495 Q HA 0.395 4.735 4.340 -0.000 0.000 0.217 495 Q C 0.590 176.604 176.000 0.023 0.000 0.860 495 Q CA -0.131 55.684 55.803 0.020 0.000 0.984 495 Q CB -0.270 28.473 28.738 0.009 0.000 1.095 495 Q HN 0.515 nan 8.270 nan 0.000 0.477 496 L N 0.005 121.261 121.223 0.055 0.000 3.066 496 L HA 0.282 4.621 4.340 -0.000 0.000 0.265 496 L C 1.333 178.271 176.870 0.115 0.000 1.232 496 L CA -0.405 54.490 54.840 0.091 0.000 1.031 496 L CB 0.261 42.428 42.059 0.179 0.000 1.379 496 L HN 0.004 nan 8.230 nan 0.000 0.563 497 K N 1.189 121.625 120.400 0.061 0.000 2.057 497 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 497 K C 1.529 178.156 176.600 0.045 0.000 1.049 497 K CA 1.673 57.986 56.287 0.042 0.000 0.931 497 K CB -0.137 32.375 32.500 0.019 0.000 0.714 497 K HN 0.530 nan 8.250 nan 0.000 0.440 498 D N 0.829 121.249 120.400 0.034 0.000 2.182 498 D HA -0.190 4.450 4.640 -0.000 0.000 0.201 498 D C 1.865 178.189 176.300 0.040 0.000 0.986 498 D CA 0.886 54.900 54.000 0.023 0.000 0.847 498 D CB -0.458 40.344 40.800 0.003 0.000 0.942 498 D HN 0.216 nan 8.370 nan 0.000 0.467 499 L N 0.238 121.505 121.223 0.072 0.000 2.478 499 L HA -0.028 4.312 4.340 -0.000 0.000 0.223 499 L C 2.329 179.326 176.870 0.213 0.000 1.140 499 L CA -0.016 54.888 54.840 0.106 0.000 0.842 499 L CB -0.163 41.944 42.059 0.079 0.000 0.953 499 L HN -0.013 nan 8.230 nan 0.000 0.452 500 I N 0.014 120.682 120.570 0.163 0.000 2.277 500 I HA -0.090 4.080 4.170 -0.000 0.000 0.243 500 I C 1.803 177.950 176.117 0.050 0.000 1.094 500 I CA 0.864 62.221 61.300 0.095 0.000 1.393 500 I CB -0.884 37.114 38.000 -0.003 0.000 1.078 500 I HN 0.282 nan 8.210 nan 0.000 0.417 501 K N 0.000 120.419 120.400 0.032 0.000 2.780 501 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 501 K CA 0.000 56.297 56.287 0.017 0.000 0.838 501 K CB 0.000 32.505 32.500 0.008 0.000 1.064 501 K HN 0.000 nan 8.250 nan 0.000 0.543