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 3hn3_1_E DATA FIRST_RESID 23 DATA SEQUENCE LQGGMLYPQE SPSRECKELD GLWSFRADFS DNRRRGFEEQ WYRRPLWESG DATA SEQUENCE PTVDMPVPSS FNDISQDWRL RHFVGWVWYE REVILPERWT QDLRTRVVLR DATA SEQUENCE IGSAHSYAIV WVNGVDTLEH EGGYLPFEAD ISNLVQVXXX XSRLRITIAI DATA SEQUENCE NNTLTPTTLP PGTIQYLTDT SKYPKGYFVQ NTYFDFFNYA GLQRSVLLYT DATA SEQUENCE TPTTYIDDIT VTTSVEQDSG LVNYQISVKG SNLFKLEVRL LDAENKVVAN DATA SEQUENCE GTGTQGQLKV PGVSLWWPYL MHERPAYLYS LEVQLTAQTS LGPVSDFYTL DATA SEQUENCE PVGIRTVAVT KSQFLINGKP FYFHGVNKHE DADIRGKGFD WPLLVKDFNL DATA SEQUENCE LRWLGANAFR TSHYPYAEEV MQMCDRYGIV VIDECPGVGL ALPQFFNNVS DATA SEQUENCE LHHHMQVMEE VVRRDKNHPA VVMWSVANEP ASHLESAGYY LKMVIAHTKS DATA SEQUENCE LDPSRPVTFV SNSNYAADKG APYVDVICLN SYYSWYHDYG HLELIQLQLA DATA SEQUENCE TQFENWYKKY QKPIIQSEYG AETIAGFHQD PPLMFTEEYQ KSLLEQYHLG DATA SEQUENCE LDQKRRKYVV GELIWNFADF MTEQSPTRVL GNKKGIFTRQ RQPKSAAFLL DATA SEQUENCE RERYWKIANE 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 23 L HA 0.000 nan 4.340 nan 0.000 0.249 23 L C 0.000 176.884 176.870 0.024 0.000 1.165 23 L CA 0.000 54.855 54.840 0.025 0.000 0.813 23 L CB 0.000 42.070 42.059 0.018 0.000 0.961 24 Q N 1.660 121.474 119.800 0.023 0.000 1.786 24 Q HA 0.232 4.572 4.340 0.000 0.000 0.369 24 Q C 1.428 177.441 176.000 0.021 0.000 0.796 24 Q CA 3.596 59.409 55.803 0.017 0.000 0.877 24 Q CB -1.252 27.490 28.738 0.007 0.000 3.276 24 Q HN 3.187 nan 8.270 nan 0.000 0.718 25 G N -1.918 106.888 108.800 0.010 0.000 2.693 25 G HA2 0.196 4.156 3.960 0.000 0.000 0.226 25 G HA3 0.196 4.156 3.960 0.000 0.000 0.226 25 G C 0.264 175.168 174.900 0.007 0.000 1.354 25 G CA 0.203 45.310 45.100 0.011 0.000 0.873 25 G HN 1.418 nan 8.290 nan 0.000 0.562 26 G N -2.190 106.616 108.800 0.010 0.000 2.543 26 G HA2 0.685 4.645 3.960 0.000 0.000 0.290 26 G HA3 0.685 4.645 3.960 0.000 0.000 0.290 26 G C 0.102 175.008 174.900 0.011 0.000 1.310 26 G CA 0.316 45.412 45.100 -0.007 0.000 1.025 26 G HN 1.542 nan 8.290 nan 0.000 0.502 27 M N 0.348 119.944 119.600 -0.006 0.000 4.816 27 M HA 0.360 4.840 4.480 0.000 0.000 0.560 27 M C -0.898 175.400 176.300 -0.002 0.000 2.256 27 M CA -0.278 55.031 55.300 0.014 0.000 0.410 27 M CB 0.102 32.722 32.600 0.034 0.000 1.476 27 M HN 0.269 nan 8.290 nan 0.000 0.613 28 L N 1.531 122.714 121.223 -0.066 0.000 2.416 28 L HA 0.226 4.566 4.340 0.000 0.000 0.272 28 L C -0.122 176.755 176.870 0.012 0.000 1.161 28 L CA -0.517 54.261 54.840 -0.103 0.000 0.845 28 L CB 0.258 42.055 42.059 -0.437 0.000 1.119 28 L HN 0.378 nan 8.230 nan 0.000 0.464 29 Y N 5.455 125.765 120.300 0.018 0.000 2.650 29 Y HA 0.079 4.630 4.550 0.000 0.000 0.331 29 Y C -1.908 173.993 175.900 0.002 0.000 1.165 29 Y CA -1.977 56.132 58.100 0.015 0.000 1.473 29 Y CB 0.138 38.632 38.460 0.058 0.000 1.224 29 Y HN 0.365 nan 8.280 nan 0.000 0.533 30 P HA 0.086 nan 4.420 nan 0.000 0.268 30 P C -1.541 175.484 177.300 -0.458 0.000 1.205 30 P CA 0.055 62.741 63.100 -0.689 0.000 0.771 30 P CB 0.503 31.613 31.700 -0.983 0.000 0.858 31 Q N -0.222 119.419 119.800 -0.266 0.000 2.462 31 Q HA 0.571 4.911 4.340 0.000 0.000 0.285 31 Q C -1.200 174.728 176.000 -0.119 0.000 1.035 31 Q CA -1.118 54.583 55.803 -0.171 0.000 0.799 31 Q CB 1.360 29.976 28.738 -0.203 0.000 1.452 31 Q HN 0.143 nan 8.270 nan 0.000 0.404 32 E N 0.941 121.096 120.200 -0.075 0.000 2.366 32 E HA 0.539 4.889 4.350 0.000 0.000 0.266 32 E C -0.673 175.894 176.600 -0.055 0.000 1.051 32 E CA 0.208 56.586 56.400 -0.037 0.000 0.884 32 E CB 1.355 31.045 29.700 -0.016 0.000 1.006 32 E HN 0.676 nan 8.360 nan 0.000 0.417 33 S N 0.637 116.321 115.700 -0.027 0.000 2.672 33 S HA 0.421 4.891 4.470 0.000 0.000 0.271 33 S C -2.298 172.278 174.600 -0.040 0.000 1.171 33 S CA -1.183 56.992 58.200 -0.041 0.000 0.817 33 S CB 0.876 64.088 63.200 0.020 0.000 1.150 33 S HN 0.173 nan 8.310 nan 0.000 0.478 34 P HA -0.040 nan 4.420 nan 0.000 0.218 34 P C 1.127 178.442 177.300 0.026 0.000 1.146 34 P CA 1.768 64.797 63.100 -0.119 0.000 0.813 34 P CB -0.076 31.396 31.700 -0.381 0.000 0.778 35 S N -3.063 112.707 115.700 0.116 0.000 2.539 35 S HA 0.240 4.710 4.470 0.000 0.000 0.221 35 S C 0.661 175.310 174.600 0.082 0.000 0.987 35 S CA -0.455 57.825 58.200 0.134 0.000 0.929 35 S CB 0.101 63.428 63.200 0.211 0.000 0.832 35 S HN 0.001 nan 8.310 nan 0.000 0.492 36 R N 0.857 121.399 120.500 0.068 0.000 2.621 36 R HA 0.559 4.900 4.340 0.000 0.000 0.284 36 R C -1.223 175.110 176.300 0.054 0.000 0.998 36 R CA -0.436 55.697 56.100 0.053 0.000 0.895 36 R CB 1.871 32.213 30.300 0.070 0.000 1.195 36 R HN 0.320 nan 8.270 nan 0.000 0.450 37 E N 1.212 121.453 120.200 0.068 0.000 2.235 37 E HA 0.525 4.875 4.350 0.000 0.000 0.265 37 E C -0.914 175.788 176.600 0.170 0.000 0.940 37 E CA -0.863 55.626 56.400 0.147 0.000 0.819 37 E CB 2.196 32.077 29.700 0.302 0.000 1.206 37 E HN 0.428 nan 8.360 nan 0.000 0.409 38 C N 1.340 120.754 119.300 0.190 0.000 2.535 38 C HA 0.447 4.907 4.460 0.000 0.000 0.319 38 C C -0.541 174.582 174.990 0.221 0.000 1.171 38 C CA -0.845 58.287 59.018 0.190 0.000 1.394 38 C CB 0.840 28.622 27.740 0.069 0.000 1.990 38 C HN 0.693 nan 8.230 nan 0.000 0.466 39 K N 2.406 122.968 120.400 0.271 0.000 2.483 39 K HA 0.460 4.781 4.320 0.000 0.000 0.256 39 K C -0.538 176.158 176.600 0.160 0.000 0.961 39 K CA -0.111 56.293 56.287 0.195 0.000 0.873 39 K CB 0.690 33.301 32.500 0.185 0.000 1.107 39 K HN 0.703 nan 8.250 nan 0.000 0.432 40 E N 3.095 123.371 120.200 0.127 0.000 2.373 40 E HA 0.075 4.425 4.350 0.000 0.000 0.267 40 E C -0.037 176.651 176.600 0.146 0.000 1.032 40 E CA 0.094 56.575 56.400 0.136 0.000 0.889 40 E CB 0.773 30.556 29.700 0.138 0.000 0.984 40 E HN 0.506 nan 8.360 nan 0.000 0.425 41 L N 2.513 123.853 121.223 0.195 0.000 3.062 41 L HA 0.235 4.575 4.340 0.000 0.000 0.255 41 L C -0.422 176.680 176.870 0.387 0.000 1.274 41 L CA -0.375 54.612 54.840 0.245 0.000 1.047 41 L CB 0.029 42.272 42.059 0.306 0.000 1.402 41 L HN 0.411 nan 8.230 nan 0.000 0.550 42 D N 0.581 121.155 120.400 0.291 0.000 2.358 42 D HA 0.603 5.243 4.640 0.000 0.000 0.244 42 D C 0.833 177.307 176.300 0.291 0.000 1.163 42 D CA 0.781 54.964 54.000 0.305 0.000 0.945 42 D CB 1.743 42.676 40.800 0.222 0.000 1.152 42 D HN 0.251 nan 8.370 nan 0.000 0.451 43 G N -0.607 108.372 108.800 0.298 0.000 2.341 43 G HA2 -0.121 3.839 3.960 0.000 0.000 0.196 43 G HA3 -0.121 3.839 3.960 0.000 0.000 0.196 43 G C -1.089 174.022 174.900 0.351 0.000 1.231 43 G CA -0.831 44.420 45.100 0.252 0.000 1.155 43 G HN 0.434 nan 8.290 nan 0.000 0.529 44 L N 0.156 121.542 121.223 0.272 0.000 2.319 44 L HA 0.547 4.887 4.340 0.000 0.000 0.280 44 L C -0.347 176.755 176.870 0.386 0.000 1.099 44 L CA -0.292 54.727 54.840 0.298 0.000 0.828 44 L CB 0.565 42.723 42.059 0.165 0.000 1.150 44 L HN 0.495 nan 8.230 nan 0.000 0.442 45 W N 1.358 122.777 121.300 0.198 0.000 2.719 45 W HA 0.442 5.102 4.660 0.000 0.000 0.352 45 W C 0.158 176.817 176.519 0.233 0.000 1.085 45 W CA -0.515 56.984 57.345 0.255 0.000 1.187 45 W CB 1.531 31.244 29.460 0.421 0.000 1.417 45 W HN 0.290 nan 8.180 nan 0.000 0.557 46 S N 1.739 117.689 115.700 0.417 0.000 2.601 46 S HA 0.595 5.065 4.470 0.000 0.000 0.271 46 S C -1.233 173.576 174.600 0.348 0.000 1.305 46 S CA -0.214 58.168 58.200 0.303 0.000 1.022 46 S CB 0.414 63.742 63.200 0.213 0.000 0.940 46 S HN 0.288 nan 8.310 nan 0.000 0.525 47 F N 1.659 121.623 119.950 0.024 0.000 2.596 47 F HA 0.630 5.157 4.527 0.000 0.000 0.311 47 F C -0.691 175.034 175.800 -0.125 0.000 1.116 47 F CA -0.719 57.204 58.000 -0.128 0.000 0.957 47 F CB 1.370 40.216 39.000 -0.257 0.000 1.250 47 F HN 0.522 nan 8.300 nan 0.000 0.444 48 R N 4.218 124.304 120.500 -0.690 0.000 2.522 48 R HA 0.800 5.140 4.340 0.000 0.000 0.283 48 R C -1.643 174.157 176.300 -0.833 0.000 1.074 48 R CA -0.697 55.063 56.100 -0.567 0.000 0.925 48 R CB 1.791 31.830 30.300 -0.434 0.000 1.205 48 R HN 0.860 nan 8.270 nan 0.000 0.436 49 A N 2.577 124.898 122.820 -0.832 0.000 2.331 49 A HA 0.204 4.524 4.320 0.000 0.000 0.283 49 A C -0.623 176.516 177.584 -0.741 0.000 1.142 49 A CA -0.354 51.041 52.037 -1.069 0.000 0.812 49 A CB 0.797 18.789 19.000 -1.679 0.000 1.074 49 A HN 0.723 nan 8.150 nan 0.000 0.497 50 D N 2.243 122.472 120.400 -0.285 0.000 2.468 50 D HA 0.305 4.945 4.640 0.000 0.000 0.218 50 D C -0.401 176.014 176.300 0.190 0.000 1.155 50 D CA -0.295 53.792 54.000 0.145 0.000 0.924 50 D CB -0.333 40.706 40.800 0.399 0.000 1.029 50 D HN 0.307 nan 8.370 nan 0.000 0.515 51 F N 1.146 121.272 119.950 0.293 0.000 2.769 51 F HA 0.042 4.569 4.527 0.000 0.000 0.304 51 F C 1.490 177.469 175.800 0.298 0.000 1.158 51 F CA -0.308 57.899 58.000 0.345 0.000 1.398 51 F CB -0.708 38.420 39.000 0.212 0.000 1.094 51 F HN 0.151 nan 8.300 nan 0.000 0.553 52 S N -0.487 115.450 115.700 0.396 0.000 2.558 52 S HA -0.054 4.417 4.470 0.000 0.000 0.288 52 S C 1.167 175.944 174.600 0.295 0.000 1.318 52 S CA -0.628 57.746 58.200 0.290 0.000 1.056 52 S CB 0.812 64.136 63.200 0.206 0.000 0.853 52 S HN 0.210 nan 8.310 nan 0.000 0.505 53 D N 2.295 122.839 120.400 0.241 0.000 2.133 53 D HA -0.168 4.472 4.640 0.000 0.000 0.195 53 D C 1.598 178.030 176.300 0.221 0.000 0.997 53 D CA 1.916 56.059 54.000 0.239 0.000 0.840 53 D CB -0.478 40.434 40.800 0.188 0.000 0.947 53 D HN 0.895 nan 8.370 nan 0.000 0.452 54 N N 0.184 118.987 118.700 0.172 0.000 2.398 54 N HA -0.087 4.653 4.740 0.000 0.000 0.188 54 N C 0.216 175.831 175.510 0.176 0.000 1.122 54 N CA 0.093 53.225 53.050 0.137 0.000 0.866 54 N CB 0.088 38.628 38.487 0.088 0.000 0.970 54 N HN -0.120 nan 8.380 nan 0.000 0.462 55 R N -0.364 120.283 120.500 0.245 0.000 4.000 55 R HA -0.201 4.139 4.340 0.000 0.000 0.348 55 R C -0.098 176.443 176.300 0.403 0.000 1.204 55 R CA 1.416 57.721 56.100 0.343 0.000 0.987 55 R CB -2.320 28.168 30.300 0.313 0.000 1.446 55 R HN 0.831 nan 8.270 nan 0.000 0.555 56 R N -1.057 119.595 120.500 0.252 0.000 2.590 56 R HA 0.274 4.614 4.340 0.000 0.000 0.410 56 R C 1.342 177.665 176.300 0.038 0.000 1.010 56 R CA -0.084 56.159 56.100 0.238 0.000 1.155 56 R CB 0.180 30.589 30.300 0.182 0.000 1.455 56 R HN 0.020 nan 8.270 nan 0.000 0.567 57 R N 1.284 121.741 120.500 -0.072 0.000 2.133 57 R HA -0.134 4.206 4.340 0.000 0.000 0.247 57 R C 1.821 177.638 176.300 -0.806 0.000 1.151 57 R CA 2.308 58.252 56.100 -0.261 0.000 0.971 57 R CB -0.627 29.605 30.300 -0.112 0.000 0.866 57 R HN 0.430 nan 8.270 nan 0.000 0.447 58 G N -0.479 107.489 108.800 -1.386 0.000 2.432 58 G HA2 -0.237 3.723 3.960 0.000 0.000 0.219 58 G HA3 -0.237 3.723 3.960 0.000 0.000 0.219 58 G C 1.070 175.093 174.900 -1.461 0.000 1.135 58 G CA 0.687 44.175 45.100 -2.686 0.000 0.767 58 G HN 0.342 nan 8.290 nan 0.000 0.550 59 F N 0.635 120.283 119.950 -0.502 0.000 2.335 59 F HA 0.196 4.723 4.527 0.000 0.000 0.296 59 F C 2.637 178.298 175.800 -0.231 0.000 1.091 59 F CA 0.835 58.721 58.000 -0.189 0.000 1.399 59 F CB -0.013 38.945 39.000 -0.070 0.000 1.067 59 F HN 0.150 nan 8.300 nan 0.000 0.520 60 E N 0.474 120.606 120.200 -0.113 0.000 2.051 60 E HA -0.202 4.148 4.350 0.000 0.000 0.192 60 E C 1.512 178.001 176.600 -0.185 0.000 0.991 60 E CA 1.496 57.829 56.400 -0.111 0.000 0.799 60 E CB -0.231 29.413 29.700 -0.093 0.000 0.748 60 E HN 0.515 nan 8.360 nan 0.000 0.449 61 E N 0.345 120.346 120.200 -0.332 0.000 2.479 61 E HA 0.000 4.350 4.350 0.000 0.000 0.193 61 E C -0.482 175.887 176.600 -0.385 0.000 1.049 61 E CA -0.114 56.120 56.400 -0.277 0.000 0.870 61 E CB 0.295 29.909 29.700 -0.143 0.000 0.944 61 E HN 0.176 nan 8.360 nan 0.000 0.492 62 Q N -0.485 118.973 119.800 -0.570 0.000 2.443 62 Q HA -0.210 4.130 4.340 0.000 0.000 0.337 62 Q C -0.182 175.239 176.000 -0.965 0.000 1.401 62 Q CA 0.053 55.297 55.803 -0.932 0.000 0.943 62 Q CB -1.239 27.049 28.738 -0.750 0.000 1.177 62 Q HN 0.501 nan 8.270 nan 0.000 0.394 63 W N -0.353 120.342 121.300 -1.009 0.000 2.325 63 W HA -0.245 4.415 4.660 0.000 0.000 0.299 63 W C 2.055 178.123 176.519 -0.751 0.000 1.215 63 W CA 1.849 58.663 57.345 -0.886 0.000 1.244 63 W CB -1.351 27.423 29.460 -1.144 0.000 1.140 63 W HN 0.757 nan 8.180 nan 0.000 0.523 64 Y N -0.161 119.872 120.300 -0.446 0.000 2.384 64 Y HA -0.074 4.477 4.550 0.000 0.000 0.289 64 Y C 2.152 177.855 175.900 -0.329 0.000 1.152 64 Y CA 1.164 58.949 58.100 -0.525 0.000 1.258 64 Y CB -1.507 36.077 38.460 -1.461 0.000 0.979 64 Y HN -0.109 nan 8.280 nan 0.000 0.549 65 R N 0.353 120.577 120.500 -0.460 0.000 2.189 65 R HA 0.084 4.424 4.340 0.000 0.000 0.218 65 R C 0.203 176.411 176.300 -0.153 0.000 1.074 65 R CA 0.645 56.616 56.100 -0.214 0.000 0.991 65 R CB 0.012 30.143 30.300 -0.282 0.000 0.883 65 R HN 0.200 nan 8.270 nan 0.000 0.457 66 R N -0.285 120.088 120.500 -0.213 0.000 2.836 66 R HA 0.371 4.711 4.340 0.000 0.000 0.269 66 R C -2.793 173.358 176.300 -0.249 0.000 1.010 66 R CA -2.935 53.031 56.100 -0.224 0.000 0.930 66 R CB 0.573 30.695 30.300 -0.297 0.000 1.218 66 R HN -0.222 nan 8.270 nan 0.000 0.473 67 P HA -0.066 nan 4.420 nan 0.000 0.264 67 P C 0.945 177.987 177.300 -0.429 0.000 1.179 67 P CA -0.045 62.888 63.100 -0.279 0.000 0.763 67 P CB 0.486 32.000 31.700 -0.311 0.000 0.806 68 L N 5.130 126.223 121.223 -0.217 0.000 2.079 68 L HA -0.125 4.215 4.340 0.000 0.000 0.210 68 L C 1.954 178.627 176.870 -0.328 0.000 1.081 68 L CA 1.587 56.269 54.840 -0.263 0.000 0.752 68 L CB -1.324 40.682 42.059 -0.089 0.000 0.896 68 L HN 0.596 nan 8.230 nan 0.000 0.433 69 W N -0.543 120.650 121.300 -0.177 0.000 2.387 69 W HA -0.160 4.500 4.660 0.000 0.000 0.272 69 W C 1.446 177.850 176.519 -0.191 0.000 1.224 69 W CA 0.908 58.149 57.345 -0.173 0.000 1.210 69 W CB -0.992 28.404 29.460 -0.106 0.000 1.125 69 W HN 0.322 nan 8.180 nan 0.000 0.572 70 E N 1.197 120.841 120.200 -0.926 0.000 2.208 70 E HA -0.128 4.222 4.350 0.000 0.000 0.193 70 E C 2.113 178.433 176.600 -0.466 0.000 0.988 70 E CA 1.691 57.589 56.400 -0.837 0.000 0.828 70 E CB -0.115 29.001 29.700 -0.973 0.000 0.763 70 E HN 0.281 nan 8.360 nan 0.000 0.478 71 S N -0.489 114.904 115.700 -0.511 0.000 2.577 71 S HA 0.386 4.856 4.470 0.000 0.000 0.219 71 S C 0.589 174.885 174.600 -0.506 0.000 0.962 71 S CA -0.059 57.830 58.200 -0.519 0.000 0.921 71 S CB 1.102 63.843 63.200 -0.764 0.000 0.789 71 S HN 0.273 nan 8.310 nan 0.000 0.497 72 G N 0.990 109.562 108.800 -0.380 0.000 2.368 72 G HA2 0.347 4.307 3.960 0.000 0.000 0.302 72 G HA3 0.347 4.307 3.960 0.000 0.000 0.302 72 G C -3.501 171.285 174.900 -0.190 0.000 1.329 72 G CA -1.081 43.858 45.100 -0.269 0.000 0.935 72 G HN 0.058 nan 8.290 nan 0.000 0.590 73 P HA 0.336 nan 4.420 nan 0.000 0.265 73 P C 0.300 177.550 177.300 -0.084 0.000 1.187 73 P CA 0.542 63.606 63.100 -0.061 0.000 0.766 73 P CB 0.680 32.360 31.700 -0.032 0.000 0.820 74 T N -1.203 113.339 114.554 -0.020 0.000 2.887 74 T HA 0.745 5.095 4.350 0.000 0.000 0.292 74 T C -0.292 174.445 174.700 0.060 0.000 1.087 74 T CA -0.809 61.295 62.100 0.006 0.000 1.009 74 T CB 1.327 70.215 68.868 0.032 0.000 1.203 74 T HN 0.289 nan 8.240 nan 0.000 0.518 75 V N -1.834 118.151 119.914 0.118 0.000 3.102 75 V HA 0.689 4.809 4.120 0.000 0.000 0.312 75 V C -1.164 175.015 176.094 0.141 0.000 1.135 75 V CA -1.180 61.191 62.300 0.119 0.000 1.022 75 V CB 1.847 33.744 31.823 0.124 0.000 1.056 75 V HN 0.911 nan 8.190 nan 0.000 0.436 76 D N 2.333 122.794 120.400 0.101 0.000 2.389 76 D HA 0.541 5.181 4.640 0.000 0.000 0.247 76 D C -0.476 175.868 176.300 0.074 0.000 1.128 76 D CA 0.399 54.468 54.000 0.116 0.000 0.884 76 D CB 1.493 42.348 40.800 0.092 0.000 1.194 76 D HN 0.663 nan 8.370 nan 0.000 0.441 77 M N 3.659 123.336 119.600 0.128 0.000 2.213 77 M HA 0.314 4.794 4.480 0.000 0.000 0.286 77 M C -2.795 173.631 176.300 0.210 0.000 1.008 77 M CA -2.147 53.177 55.300 0.040 0.000 0.937 77 M CB 2.628 35.107 32.600 -0.202 0.000 1.600 77 M HN -0.022 nan 8.290 nan 0.000 0.450 78 P HA 0.308 nan 4.420 nan 0.000 0.275 78 P C -1.289 176.101 177.300 0.149 0.000 1.228 78 P CA -0.274 62.927 63.100 0.168 0.000 0.786 78 P CB 0.899 32.660 31.700 0.102 0.000 0.927 79 V N 4.473 124.470 119.914 0.137 0.000 2.577 79 V HA 0.359 4.479 4.120 0.000 0.000 0.303 79 V C -2.255 173.882 176.094 0.072 0.000 1.042 79 V CA -2.043 60.249 62.300 -0.012 0.000 0.872 79 V CB 2.195 33.810 31.823 -0.346 0.000 0.998 79 V HN 0.548 nan 8.190 nan 0.000 0.423 80 P HA 0.478 nan 4.420 nan 0.000 0.279 80 P C -0.591 176.710 177.300 0.002 0.000 1.239 80 P CA -0.078 63.017 63.100 -0.008 0.000 0.789 80 P CB 1.778 33.498 31.700 0.034 0.000 0.933 81 S N 1.026 116.716 115.700 -0.017 0.000 2.622 81 S HA 0.332 4.802 4.470 0.000 0.000 0.275 81 S C -1.032 173.565 174.600 -0.006 0.000 1.112 81 S CA -0.552 57.636 58.200 -0.018 0.000 0.837 81 S CB 0.357 63.566 63.200 0.014 0.000 1.082 81 S HN 0.333 nan 8.310 nan 0.000 0.456 82 S N 2.126 117.787 115.700 -0.065 0.000 2.584 82 S HA 0.367 4.837 4.470 0.000 0.000 0.273 82 S C 0.861 175.476 174.600 0.025 0.000 1.311 82 S CA -0.295 57.873 58.200 -0.053 0.000 1.034 82 S CB 0.236 63.346 63.200 -0.149 0.000 0.939 82 S HN 0.701 nan 8.310 nan 0.000 0.513 83 F N 1.141 121.184 119.950 0.156 0.000 2.710 83 F HA 0.238 4.765 4.527 0.000 0.000 0.298 83 F C 1.036 176.891 175.800 0.091 0.000 1.137 83 F CA 0.002 58.017 58.000 0.025 0.000 1.444 83 F CB -1.092 37.859 39.000 -0.083 0.000 1.111 83 F HN 0.372 nan 8.300 nan 0.000 0.580 84 N N 0.619 119.340 118.700 0.035 0.000 2.270 84 N HA -0.115 4.625 4.740 0.000 0.000 0.181 84 N C 0.662 176.280 175.510 0.180 0.000 1.016 84 N CA 1.452 54.612 53.050 0.183 0.000 0.870 84 N CB -0.269 38.331 38.487 0.189 0.000 0.979 84 N HN 0.277 nan 8.380 nan 0.000 0.431 85 D N -0.656 119.837 120.400 0.154 0.000 2.431 85 D HA 0.159 4.799 4.640 0.000 0.000 0.213 85 D C 1.150 177.485 176.300 0.058 0.000 1.130 85 D CA -0.074 53.975 54.000 0.083 0.000 0.834 85 D CB 0.440 41.288 40.800 0.081 0.000 0.985 85 D HN 0.146 nan 8.370 nan 0.000 0.504 86 I N 0.490 121.103 120.570 0.071 0.000 2.500 86 I HA -0.054 4.117 4.170 0.000 0.000 0.252 86 I C 1.451 177.596 176.117 0.047 0.000 1.142 86 I CA 0.729 62.055 61.300 0.042 0.000 1.451 86 I CB -0.570 37.441 38.000 0.018 0.000 1.093 86 I HN -0.077 nan 8.210 nan 0.000 0.430 87 S N 0.571 116.315 115.700 0.074 0.000 2.745 87 S HA 0.296 4.766 4.470 0.000 0.000 0.292 87 S C 0.508 175.169 174.600 0.102 0.000 1.133 87 S CA -0.523 57.730 58.200 0.088 0.000 0.998 87 S CB 2.045 65.313 63.200 0.114 0.000 1.087 87 S HN 0.115 nan 8.310 nan 0.000 0.551 88 Q N 0.562 120.435 119.800 0.123 0.000 2.247 88 Q HA 0.306 4.646 4.340 0.000 0.000 0.204 88 Q C -0.644 175.516 176.000 0.266 0.000 0.872 88 Q CA -0.042 55.860 55.803 0.165 0.000 0.951 88 Q CB -0.376 28.454 28.738 0.155 0.000 1.099 88 Q HN 0.723 nan 8.270 nan 0.000 0.501 89 D N -0.409 120.131 120.400 0.233 0.000 2.358 89 D HA -0.052 4.588 4.640 0.000 0.000 0.258 89 D C 0.153 176.668 176.300 0.358 0.000 1.223 89 D CA -0.225 53.936 54.000 0.268 0.000 0.886 89 D CB 0.379 41.309 40.800 0.216 0.000 1.120 89 D HN 0.054 nan 8.370 nan 0.000 0.482 90 W N 3.709 125.049 121.300 0.067 0.000 2.421 90 W HA -0.043 4.617 4.660 0.000 0.000 0.270 90 W C 2.089 178.688 176.519 0.133 0.000 1.233 90 W CA 0.179 57.579 57.345 0.092 0.000 1.226 90 W CB -0.287 29.212 29.460 0.064 0.000 1.121 90 W HN 0.478 nan 8.180 nan 0.000 0.579 91 R N -0.924 119.756 120.500 0.300 0.000 2.200 91 R HA -0.004 4.336 4.340 0.000 0.000 0.208 91 R C 1.912 178.487 176.300 0.458 0.000 1.033 91 R CA 0.542 56.785 56.100 0.240 0.000 1.000 91 R CB -0.619 29.574 30.300 -0.178 0.000 0.906 91 R HN 0.110 nan 8.270 nan 0.000 0.462 92 L N 0.992 122.486 121.223 0.450 0.000 2.127 92 L HA 0.030 4.370 4.340 0.000 0.000 0.203 92 L C 2.350 179.541 176.870 0.536 0.000 1.080 92 L CA 1.520 56.686 54.840 0.542 0.000 0.768 92 L CB -0.391 41.930 42.059 0.436 0.000 0.924 92 L HN -0.058 nan 8.230 nan 0.000 0.444 93 R N -1.130 119.551 120.500 0.302 0.000 2.103 93 R HA -0.211 4.130 4.340 0.000 0.000 0.242 93 R C 1.267 177.625 176.300 0.096 0.000 1.142 93 R CA 2.129 58.281 56.100 0.087 0.000 0.960 93 R CB -0.289 29.837 30.300 -0.291 0.000 0.858 93 R HN 0.552 nan 8.270 nan 0.000 0.439 94 H N -1.699 117.589 119.070 0.363 0.000 2.505 94 H HA 0.098 4.654 4.556 0.000 0.000 0.289 94 H C -0.612 174.868 175.328 0.254 0.000 1.052 94 H CA -0.583 55.630 56.048 0.275 0.000 1.156 94 H CB 0.075 29.933 29.762 0.161 0.000 1.507 94 H HN 0.092 nan 8.280 nan 0.000 0.548 95 F N 2.039 122.197 119.950 0.346 0.000 2.572 95 F HA 0.182 4.710 4.527 0.000 0.000 0.370 95 F C -0.269 175.666 175.800 0.225 0.000 1.103 95 F CA -0.343 57.850 58.000 0.322 0.000 1.286 95 F CB 0.487 39.723 39.000 0.393 0.000 1.105 95 F HN -0.204 nan 8.300 nan 0.000 0.583 96 V N 6.540 126.019 119.914 -0.724 0.000 2.444 96 V HA 0.861 4.981 4.120 0.000 0.000 0.294 96 V C 0.228 175.760 176.094 -0.936 0.000 1.022 96 V CA 0.217 62.172 62.300 -0.576 0.000 0.850 96 V CB 0.551 32.295 31.823 -0.131 0.000 0.992 96 V HN 1.252 nan 8.190 nan 0.000 0.426 97 G N 3.909 112.282 108.800 -0.711 0.000 2.373 97 G HA2 0.082 4.042 3.960 0.000 0.000 0.250 97 G HA3 0.082 4.042 3.960 0.000 0.000 0.250 97 G C -2.113 172.789 174.900 0.003 0.000 1.304 97 G CA -0.823 44.068 45.100 -0.349 0.000 0.948 97 G HN 0.485 nan 8.290 nan 0.000 0.474 98 W N 1.072 122.614 121.300 0.403 0.000 2.391 98 W HA 0.579 5.240 4.660 0.000 0.000 0.311 98 W C 0.575 177.292 176.519 0.330 0.000 1.087 98 W CA -0.492 57.060 57.345 0.345 0.000 1.209 98 W CB 1.829 31.509 29.460 0.367 0.000 1.273 98 W HN 0.538 nan 8.180 nan 0.000 0.482 99 V N 0.822 120.947 119.914 0.351 0.000 2.630 99 V HA 0.636 4.756 4.120 0.000 0.000 0.305 99 V C -1.299 174.798 176.094 0.004 0.000 1.046 99 V CA -1.337 60.936 62.300 -0.044 0.000 0.934 99 V CB 1.053 32.666 31.823 -0.349 0.000 1.003 99 V HN 0.541 nan 8.190 nan 0.000 0.451 100 W N 2.685 123.837 121.300 -0.247 0.000 2.532 100 W HA 0.749 5.409 4.660 0.000 0.000 0.321 100 W C -0.866 175.603 176.519 -0.084 0.000 1.037 100 W CA -0.518 56.837 57.345 0.016 0.000 1.220 100 W CB 1.330 30.836 29.460 0.078 0.000 1.361 100 W HN 0.600 nan 8.180 nan 0.000 0.468 101 Y N 1.500 122.018 120.300 0.363 0.000 2.468 101 Y HA 0.507 5.057 4.550 0.000 0.000 0.342 101 Y C 0.055 176.303 175.900 0.580 0.000 1.021 101 Y CA -1.111 57.274 58.100 0.477 0.000 1.079 101 Y CB 2.321 41.028 38.460 0.411 0.000 1.226 101 Y HN 0.376 nan 8.280 nan 0.000 0.460 102 E N 1.989 122.659 120.200 0.782 0.000 2.352 102 E HA 0.556 4.906 4.350 0.000 0.000 0.280 102 E C -1.790 174.944 176.600 0.223 0.000 0.930 102 E CA -1.005 55.708 56.400 0.522 0.000 0.765 102 E CB 1.857 31.749 29.700 0.320 0.000 1.219 102 E HN 0.592 nan 8.360 nan 0.000 0.434 103 R N 2.149 122.524 120.500 -0.208 0.000 2.628 103 R HA 0.373 4.713 4.340 0.000 0.000 0.288 103 R C -1.459 174.674 176.300 -0.279 0.000 0.980 103 R CA -0.373 55.367 56.100 -0.600 0.000 0.891 103 R CB 1.600 30.889 30.300 -1.685 0.000 1.188 103 R HN 0.485 nan 8.270 nan 0.000 0.450 104 E N 2.377 122.465 120.200 -0.187 0.000 2.179 104 E HA 0.503 4.853 4.350 0.000 0.000 0.275 104 E C -0.986 175.545 176.600 -0.116 0.000 0.945 104 E CA -1.068 55.275 56.400 -0.095 0.000 0.792 104 E CB 2.224 31.908 29.700 -0.026 0.000 1.125 104 E HN 0.290 nan 8.360 nan 0.000 0.397 105 V N 3.746 123.614 119.914 -0.078 0.000 2.709 105 V HA 0.385 4.505 4.120 0.000 0.000 0.308 105 V C -0.288 175.771 176.094 -0.058 0.000 1.062 105 V CA -0.771 61.483 62.300 -0.075 0.000 0.901 105 V CB 1.744 33.532 31.823 -0.058 0.000 1.003 105 V HN 0.614 nan 8.190 nan 0.000 0.425 106 I N 5.108 125.632 120.570 -0.076 0.000 2.297 106 I HA 0.348 4.518 4.170 0.000 0.000 0.291 106 I C -0.250 175.783 176.117 -0.140 0.000 1.033 106 I CA -0.174 61.076 61.300 -0.083 0.000 1.253 106 I CB 0.968 38.921 38.000 -0.078 0.000 1.396 106 I HN 0.388 nan 8.210 nan 0.000 0.476 107 L N 7.924 129.062 121.223 -0.141 0.000 2.399 107 L HA 0.408 4.748 4.340 0.000 0.000 0.266 107 L C -2.026 174.641 176.870 -0.338 0.000 1.114 107 L CA -1.887 52.791 54.840 -0.269 0.000 0.804 107 L CB 0.124 42.126 42.059 -0.095 0.000 1.146 107 L HN 0.311 nan 8.230 nan 0.000 0.451 108 P HA -0.031 nan 4.420 nan 0.000 0.265 108 P C 0.455 177.618 177.300 -0.228 0.000 1.193 108 P CA -0.012 62.799 63.100 -0.483 0.000 0.765 108 P CB 0.589 31.811 31.700 -0.797 0.000 0.823 109 E N 3.820 123.955 120.200 -0.107 0.000 2.070 109 E HA -0.310 4.040 4.350 0.000 0.000 0.197 109 E C 1.742 178.373 176.600 0.053 0.000 1.004 109 E CA 1.468 57.858 56.400 -0.017 0.000 0.805 109 E CB -0.001 29.690 29.700 -0.014 0.000 0.744 109 E HN 0.423 nan 8.360 nan 0.000 0.451 110 R N -0.549 119.998 120.500 0.078 0.000 2.120 110 R HA -0.155 4.185 4.340 0.000 0.000 0.234 110 R C 1.861 178.331 176.300 0.283 0.000 1.123 110 R CA 1.475 57.671 56.100 0.160 0.000 0.975 110 R CB -0.698 29.704 30.300 0.170 0.000 0.866 110 R HN 0.221 nan 8.270 nan 0.000 0.446 111 W N 2.135 123.435 121.300 -0.000 0.000 2.358 111 W HA -0.067 4.593 4.660 0.000 0.000 0.303 111 W C 2.613 179.129 176.519 -0.005 0.000 1.208 111 W CA 1.803 59.144 57.345 -0.005 0.000 1.274 111 W CB -1.148 28.306 29.460 -0.010 0.000 1.138 111 W HN 0.349 nan 8.180 nan 0.000 0.515 112 T N -2.876 111.821 114.554 0.239 0.000 3.043 112 T HA -0.045 4.305 4.350 0.000 0.000 0.263 112 T C 1.456 176.211 174.700 0.090 0.000 1.094 112 T CA 0.926 63.108 62.100 0.136 0.000 1.127 112 T CB -0.008 68.918 68.868 0.096 0.000 0.905 112 T HN -0.025 nan 8.240 nan 0.000 0.490 113 Q N 0.716 120.569 119.800 0.089 0.000 2.394 113 Q HA 0.235 4.575 4.340 0.000 0.000 0.218 113 Q C 0.193 176.228 176.000 0.058 0.000 0.907 113 Q CA 0.407 56.247 55.803 0.062 0.000 0.919 113 Q CB -0.005 28.763 28.738 0.051 0.000 1.051 113 Q HN 0.510 nan 8.270 nan 0.000 0.538 114 D N 1.006 121.449 120.400 0.072 0.000 2.380 114 D HA 0.137 4.777 4.640 0.000 0.000 0.230 114 D C 0.775 177.099 176.300 0.040 0.000 1.154 114 D CA -0.103 53.931 54.000 0.056 0.000 0.859 114 D CB 0.715 41.554 40.800 0.065 0.000 1.045 114 D HN -0.001 nan 8.370 nan 0.000 0.495 115 L N 3.396 124.637 121.223 0.030 0.000 2.551 115 L HA 0.014 4.354 4.340 0.000 0.000 0.228 115 L C 2.168 179.043 176.870 0.008 0.000 1.153 115 L CA 0.395 55.246 54.840 0.018 0.000 0.851 115 L CB -0.091 41.979 42.059 0.019 0.000 0.959 115 L HN 0.256 nan 8.230 nan 0.000 0.451 116 R N -0.698 119.809 120.500 0.012 0.000 2.280 116 R HA -0.006 4.334 4.340 0.000 0.000 0.207 116 R C 0.369 176.658 176.300 -0.019 0.000 1.043 116 R CA 0.433 56.536 56.100 0.006 0.000 1.006 116 R CB -0.361 29.949 30.300 0.018 0.000 0.885 116 R HN 0.202 nan 8.270 nan 0.000 0.467 117 T N 1.441 115.972 114.554 -0.038 0.000 2.780 117 T HA 0.159 4.509 4.350 0.000 0.000 0.294 117 T C -0.090 174.522 174.700 -0.147 0.000 0.949 117 T CA -0.372 61.661 62.100 -0.112 0.000 1.074 117 T CB 1.297 70.084 68.868 -0.134 0.000 0.910 117 T HN 0.134 nan 8.240 nan 0.000 0.501 118 R N 3.055 123.435 120.500 -0.201 0.000 2.229 118 R HA 0.497 4.838 4.340 0.000 0.000 0.328 118 R C -1.227 174.844 176.300 -0.382 0.000 1.009 118 R CA -0.449 55.504 56.100 -0.245 0.000 0.864 118 R CB 0.476 30.622 30.300 -0.257 0.000 1.085 118 R HN 0.421 nan 8.270 nan 0.000 0.453 119 V N 5.787 125.490 119.914 -0.351 0.000 2.398 119 V HA 0.360 4.480 4.120 0.000 0.000 0.286 119 V C -0.393 175.460 176.094 -0.402 0.000 1.026 119 V CA -0.692 61.351 62.300 -0.429 0.000 0.868 119 V CB 1.682 33.354 31.823 -0.252 0.000 0.982 119 V HN 0.521 nan 8.190 nan 0.000 0.443 120 V N 5.926 125.493 119.914 -0.578 0.000 2.495 120 V HA 0.453 4.573 4.120 0.000 0.000 0.298 120 V C -0.456 175.390 176.094 -0.413 0.000 1.031 120 V CA -0.711 61.229 62.300 -0.601 0.000 0.871 120 V CB 1.867 33.018 31.823 -1.121 0.000 0.988 120 V HN 0.664 nan 8.190 nan 0.000 0.432 121 L N 5.498 126.591 121.223 -0.216 0.000 2.264 121 L HA 0.695 5.035 4.340 0.000 0.000 0.289 121 L C -0.234 176.576 176.870 -0.101 0.000 1.044 121 L CA -0.188 54.595 54.840 -0.095 0.000 0.807 121 L CB 0.931 42.976 42.059 -0.023 0.000 1.192 121 L HN 0.728 nan 8.230 nan 0.000 0.425 122 R N 5.762 126.228 120.500 -0.057 0.000 2.393 122 R HA 0.618 4.958 4.340 0.000 0.000 0.315 122 R C -1.548 174.637 176.300 -0.192 0.000 0.952 122 R CA -0.530 55.520 56.100 -0.083 0.000 0.842 122 R CB 0.731 31.078 30.300 0.078 0.000 1.163 122 R HN 0.556 nan 8.270 nan 0.000 0.450 123 I N 4.968 125.269 120.570 -0.450 0.000 2.339 123 I HA 0.306 4.476 4.170 0.000 0.000 0.290 123 I C 1.361 177.161 176.117 -0.529 0.000 0.994 123 I CA -0.535 60.403 61.300 -0.604 0.000 1.191 123 I CB 0.916 38.205 38.000 -1.185 0.000 1.343 123 I HN 0.940 nan 8.210 nan 0.000 0.458 124 G N 5.129 113.752 108.800 -0.295 0.000 2.418 124 G HA2 -0.026 3.934 3.960 0.000 0.000 0.217 124 G HA3 -0.026 3.934 3.960 0.000 0.000 0.217 124 G C 0.506 175.321 174.900 -0.142 0.000 1.158 124 G CA 1.048 46.044 45.100 -0.172 0.000 0.771 124 G HN 0.692 nan 8.290 nan 0.000 0.545 125 S N -3.024 112.583 115.700 -0.156 0.000 2.636 125 S HA 0.774 5.244 4.470 0.000 0.000 0.266 125 S C -0.435 174.165 174.600 -0.001 0.000 1.147 125 S CA 0.128 58.298 58.200 -0.049 0.000 0.815 125 S CB 1.406 64.579 63.200 -0.046 0.000 1.119 125 S HN 1.153 nan 8.310 nan 0.000 0.470 126 A N 0.369 123.245 122.820 0.093 0.000 2.497 126 A HA 0.869 5.189 4.320 0.000 0.000 0.186 126 A C -0.109 177.511 177.584 0.059 0.000 1.242 126 A CA 0.010 52.120 52.037 0.122 0.000 1.625 126 A CB -0.198 18.973 19.000 0.285 0.000 2.054 126 A HN 1.094 nan 8.150 nan 0.000 0.753 127 H N -2.204 116.849 119.070 -0.029 0.000 3.997 127 H HA 0.339 4.895 4.556 0.000 0.000 0.371 127 H C 1.387 176.675 175.328 -0.068 0.000 1.530 127 H CA 0.387 56.379 56.048 -0.093 0.000 1.082 127 H CB 0.566 30.305 29.762 -0.038 0.000 1.466 127 H HN 0.393 nan 8.280 nan 0.000 0.793 128 S N -0.549 115.307 115.700 0.260 0.000 2.374 128 S HA -0.134 4.336 4.470 0.000 0.000 0.227 128 S C -0.002 174.643 174.600 0.074 0.000 1.037 128 S CA 1.683 59.948 58.200 0.108 0.000 1.024 128 S CB -0.128 63.136 63.200 0.106 0.000 0.861 128 S HN 0.346 nan 8.310 nan 0.000 0.456 129 Y N -0.903 119.341 120.300 -0.094 0.000 2.534 129 Y HA 0.581 5.132 4.550 0.000 0.000 0.345 129 Y C -0.906 174.995 175.900 0.001 0.000 1.031 129 Y CA -0.950 57.091 58.100 -0.098 0.000 1.022 129 Y CB 1.518 39.897 38.460 -0.135 0.000 1.292 129 Y HN 0.032 nan 8.280 nan 0.000 0.459 130 A N 5.304 128.005 122.820 -0.199 0.000 2.422 130 A HA 0.826 5.146 4.320 0.000 0.000 0.302 130 A C -1.825 175.747 177.584 -0.021 0.000 1.041 130 A CA -0.558 51.507 52.037 0.046 0.000 0.708 130 A CB 0.941 19.975 19.000 0.057 0.000 1.257 130 A HN 0.630 nan 8.150 nan 0.000 0.414 131 I N 1.902 122.526 120.570 0.090 0.000 2.509 131 I HA 0.524 4.694 4.170 0.000 0.000 0.293 131 I C -0.878 175.007 176.117 -0.388 0.000 1.020 131 I CA -1.041 60.106 61.300 -0.255 0.000 1.088 131 I CB 2.252 39.962 38.000 -0.484 0.000 1.267 131 I HN 0.324 nan 8.210 nan 0.000 0.430 132 V N 4.746 124.414 119.914 -0.409 0.000 2.487 132 V HA 0.405 4.525 4.120 0.000 0.000 0.298 132 V C -0.771 175.143 176.094 -0.299 0.000 1.028 132 V CA -0.593 61.615 62.300 -0.153 0.000 0.860 132 V CB 1.702 33.554 31.823 0.049 0.000 0.991 132 V HN 0.594 nan 8.190 nan 0.000 0.427 133 W N 3.050 124.411 121.300 0.102 0.000 2.551 133 W HA 0.700 5.360 4.660 0.000 0.000 0.330 133 W C -0.900 175.691 176.519 0.119 0.000 1.063 133 W CA -0.707 56.690 57.345 0.088 0.000 1.222 133 W CB 2.163 31.686 29.460 0.105 0.000 1.349 133 W HN 0.280 nan 8.180 nan 0.000 0.536 134 V N 4.005 124.099 119.914 0.300 0.000 2.407 134 V HA 0.103 4.223 4.120 0.000 0.000 0.291 134 V C 0.112 176.325 176.094 0.198 0.000 1.018 134 V CA -0.952 61.474 62.300 0.211 0.000 0.842 134 V CB 1.077 32.982 31.823 0.137 0.000 0.996 134 V HN 0.661 nan 8.190 nan 0.000 0.426 135 N N 4.167 122.973 118.700 0.176 0.000 2.716 135 N HA -0.224 4.516 4.740 0.000 0.000 0.250 135 N C 1.231 176.842 175.510 0.169 0.000 1.033 135 N CA 1.555 54.691 53.050 0.142 0.000 0.727 135 N CB -1.040 37.510 38.487 0.105 0.000 0.950 135 N HN 1.527 nan 8.380 nan 0.000 0.541 136 G N -3.046 105.897 108.800 0.238 0.000 2.179 136 G HA2 -0.322 3.638 3.960 0.000 0.000 0.260 136 G HA3 -0.322 3.638 3.960 0.000 0.000 0.260 136 G C 0.011 175.140 174.900 0.383 0.000 0.977 136 G CA 0.376 45.639 45.100 0.272 0.000 0.641 136 G HN 0.506 nan 8.290 nan 0.000 0.533 137 V N 3.086 123.213 119.914 0.355 0.000 2.394 137 V HA 0.406 4.526 4.120 0.000 0.000 0.282 137 V C 0.340 176.603 176.094 0.282 0.000 1.031 137 V CA -0.680 61.800 62.300 0.300 0.000 0.881 137 V CB 1.653 33.579 31.823 0.172 0.000 0.982 137 V HN 0.470 nan 8.190 nan 0.000 0.451 138 D N 3.107 123.614 120.400 0.178 0.000 2.417 138 D HA 0.028 4.668 4.640 0.000 0.000 0.250 138 D C 0.718 176.943 176.300 -0.125 0.000 1.166 138 D CA 0.367 54.222 54.000 -0.242 0.000 0.881 138 D CB 1.851 42.458 40.800 -0.322 0.000 1.164 138 D HN 0.700 nan 8.370 nan 0.000 0.467 139 T N 0.034 114.494 114.554 -0.157 0.000 3.009 139 T HA 0.255 4.605 4.350 0.000 0.000 0.267 139 T C 0.074 174.740 174.700 -0.057 0.000 0.942 139 T CA -0.363 61.701 62.100 -0.060 0.000 0.883 139 T CB 0.245 69.110 68.868 -0.004 0.000 1.192 139 T HN 0.331 nan 8.240 nan 0.000 0.524 140 L N 0.835 121.998 121.223 -0.100 0.000 2.611 140 L HA 0.666 5.007 4.340 0.000 0.000 0.260 140 L C -2.081 174.737 176.870 -0.087 0.000 0.924 140 L CA -0.420 54.402 54.840 -0.031 0.000 0.901 140 L CB 2.201 44.303 42.059 0.072 0.000 1.369 140 L HN 0.217 nan 8.230 nan 0.000 0.415 141 E N 3.200 123.334 120.200 -0.109 0.000 2.369 141 E HA 0.582 4.932 4.350 0.000 0.000 0.270 141 E C -1.710 174.631 176.600 -0.432 0.000 0.909 141 E CA -0.921 55.325 56.400 -0.257 0.000 0.775 141 E CB 2.470 32.079 29.700 -0.150 0.000 1.270 141 E HN 0.608 nan 8.360 nan 0.000 0.445 142 H N 1.148 119.639 119.070 -0.965 0.000 3.085 142 H HA 0.182 4.738 4.556 0.000 0.000 0.356 142 H C -1.669 173.051 175.328 -1.013 0.000 1.178 142 H CA -0.465 54.956 56.048 -1.045 0.000 1.214 142 H CB 2.151 30.816 29.762 -1.828 0.000 1.881 142 H HN 0.469 nan 8.280 nan 0.000 0.538 143 E N 2.388 121.910 120.200 -1.129 0.000 2.158 143 E HA 0.483 4.833 4.350 0.000 0.000 0.271 143 E C -0.445 175.845 176.600 -0.517 0.000 0.911 143 E CA 0.109 56.136 56.400 -0.622 0.000 0.767 143 E CB 1.162 30.706 29.700 -0.261 0.000 1.120 143 E HN 1.002 nan 8.360 nan 0.000 0.405 144 G N 2.320 111.018 108.800 -0.171 0.000 2.770 144 G HA2 0.072 4.033 3.960 0.000 0.000 0.686 144 G HA3 0.072 4.033 3.960 0.000 0.000 0.686 144 G C -0.042 174.882 174.900 0.039 0.000 1.180 144 G CA -0.530 44.559 45.100 -0.018 0.000 0.767 144 G HN 0.663 nan 8.290 nan 0.000 0.646 145 G N -0.695 108.042 108.800 -0.105 0.000 2.522 145 G HA2 0.706 4.666 3.960 0.000 0.000 0.304 145 G HA3 0.706 4.666 3.960 0.000 0.000 0.304 145 G C 0.385 175.202 174.900 -0.138 0.000 1.210 145 G CA 0.404 45.291 45.100 -0.355 0.000 0.960 145 G HN 1.884 nan 8.290 nan 0.000 0.497 146 Y N -3.087 117.212 120.300 -0.002 0.000 4.841 146 Y HA -0.171 4.380 4.550 0.000 0.000 0.242 146 Y C 0.344 176.289 175.900 0.075 0.000 1.002 146 Y CA 0.370 58.490 58.100 0.033 0.000 2.011 146 Y CB -2.305 36.193 38.460 0.063 0.000 1.554 146 Y HN 0.337 nan 8.280 nan 0.000 0.618 147 L N 1.309 122.624 121.223 0.153 0.000 2.445 147 L HA 0.583 4.923 4.340 0.000 0.000 0.262 147 L C -2.395 174.486 176.870 0.018 0.000 0.974 147 L CA -1.988 52.923 54.840 0.119 0.000 0.822 147 L CB 3.069 45.230 42.059 0.169 0.000 1.339 147 L HN -0.360 nan 8.230 nan 0.000 0.409 148 P HA 0.346 nan 4.420 nan 0.000 0.276 148 P C -1.417 175.859 177.300 -0.039 0.000 1.244 148 P CA -0.133 62.924 63.100 -0.070 0.000 0.801 148 P CB 0.879 32.564 31.700 -0.025 0.000 1.006 149 F N -1.629 118.170 119.950 -0.253 0.000 2.631 149 F HA 0.760 5.287 4.527 0.000 0.000 0.308 149 F C -0.740 175.004 175.800 -0.093 0.000 1.097 149 F CA -1.244 56.637 58.000 -0.199 0.000 0.952 149 F CB 1.689 40.498 39.000 -0.318 0.000 1.307 149 F HN 0.457 nan 8.300 nan 0.000 0.450 150 E N 1.674 121.914 120.200 0.066 0.000 2.433 150 E HA 0.889 5.240 4.350 0.000 0.000 0.278 150 E C -2.034 174.579 176.600 0.021 0.000 0.976 150 E CA -1.593 54.799 56.400 -0.014 0.000 0.793 150 E CB 2.334 32.025 29.700 -0.015 0.000 1.311 150 E HN 1.230 nan 8.360 nan 0.000 0.460 151 A N 1.308 124.107 122.820 -0.034 0.000 2.520 151 A HA 0.388 4.708 4.320 0.000 0.000 0.298 151 A C -1.517 176.008 177.584 -0.099 0.000 1.051 151 A CA -0.801 51.215 52.037 -0.034 0.000 0.690 151 A CB 1.772 20.770 19.000 -0.003 0.000 1.281 151 A HN 0.661 nan 8.150 nan 0.000 0.402 152 D N 2.270 122.610 120.400 -0.101 0.000 2.358 152 D HA 0.210 4.850 4.640 0.000 0.000 0.258 152 D C 0.798 177.045 176.300 -0.088 0.000 1.223 152 D CA 0.012 53.929 54.000 -0.138 0.000 0.886 152 D CB 0.440 41.174 40.800 -0.111 0.000 1.120 152 D HN 0.534 nan 8.370 nan 0.000 0.482 153 I N 0.688 121.200 120.570 -0.097 0.000 3.927 153 I HA 0.118 4.288 4.170 0.000 0.000 0.332 153 I C 1.196 177.295 176.117 -0.031 0.000 1.485 153 I CA -0.590 60.685 61.300 -0.041 0.000 1.131 153 I CB 0.252 38.243 38.000 -0.015 0.000 1.092 153 I HN 0.011 nan 8.210 nan 0.000 0.410 154 S N 3.223 118.888 115.700 -0.059 0.000 2.372 154 S HA -0.246 4.224 4.470 0.000 0.000 0.227 154 S C 1.974 176.571 174.600 -0.006 0.000 1.044 154 S CA 2.376 60.549 58.200 -0.044 0.000 1.050 154 S CB -0.692 62.469 63.200 -0.064 0.000 0.901 154 S HN 0.811 nan 8.310 nan 0.000 0.447 155 N N 1.637 120.336 118.700 -0.002 0.000 2.223 155 N HA -0.120 4.620 4.740 0.000 0.000 0.185 155 N C 1.411 176.937 175.510 0.026 0.000 1.016 155 N CA 1.051 54.109 53.050 0.013 0.000 0.863 155 N CB -0.513 37.982 38.487 0.014 0.000 0.983 155 N HN 0.267 nan 8.380 nan 0.000 0.429 156 L N 0.951 122.191 121.223 0.029 0.000 2.240 156 L HA 0.023 4.363 4.340 0.000 0.000 0.211 156 L C 2.445 179.346 176.870 0.051 0.000 1.106 156 L CA 0.741 55.608 54.840 0.045 0.000 0.793 156 L CB -0.749 41.341 42.059 0.052 0.000 0.927 156 L HN 0.298 nan 8.230 nan 0.000 0.446 157 V N -4.191 115.754 119.914 0.051 0.000 3.471 157 V HA 0.098 4.218 4.120 0.000 0.000 0.258 157 V C 0.904 177.036 176.094 0.064 0.000 1.192 157 V CA -0.022 62.319 62.300 0.067 0.000 1.116 157 V CB -0.472 31.408 31.823 0.095 0.000 0.792 157 V HN 0.325 nan 8.190 nan 0.000 0.459 158 Q N 1.679 121.509 119.800 0.050 0.000 2.810 158 Q HA 0.509 4.849 4.340 0.000 0.000 0.236 158 Q C 0.127 176.150 176.000 0.038 0.000 1.278 158 Q CA -0.248 55.583 55.803 0.046 0.000 1.065 158 Q CB 1.183 29.942 28.738 0.036 0.000 1.364 158 Q HN 0.383 nan 8.270 nan 0.000 0.570 165 R N 0.744 121.252 120.500 0.013 0.000 2.538 165 R HA 0.804 5.144 4.340 0.000 0.000 0.292 165 R C -1.135 175.179 176.300 0.022 0.000 1.008 165 R CA -0.536 55.569 56.100 0.007 0.000 0.896 165 R CB 0.823 31.124 30.300 0.002 0.000 1.187 165 R HN 0.953 nan 8.270 nan 0.000 0.440 166 L N 1.878 123.114 121.223 0.022 0.000 2.477 166 L HA 0.388 4.728 4.340 0.000 0.000 0.272 166 L C 0.612 177.501 176.870 0.033 0.000 1.157 166 L CA 0.170 55.035 54.840 0.040 0.000 0.889 166 L CB 0.775 42.864 42.059 0.049 0.000 1.158 166 L HN 0.775 nan 8.230 nan 0.000 0.473 167 R N 5.726 126.262 120.500 0.061 0.000 2.295 167 R HA 0.559 4.899 4.340 0.000 0.000 0.324 167 R C -1.165 175.210 176.300 0.124 0.000 0.968 167 R CA -0.484 55.659 56.100 0.073 0.000 0.837 167 R CB 0.578 30.929 30.300 0.085 0.000 1.133 167 R HN 0.749 nan 8.270 nan 0.000 0.450 168 I N 4.035 124.676 120.570 0.119 0.000 2.355 168 I HA 0.259 4.429 4.170 0.000 0.000 0.288 168 I C -0.428 175.900 176.117 0.352 0.000 0.999 168 I CA -0.479 60.955 61.300 0.222 0.000 1.163 168 I CB 2.157 40.275 38.000 0.197 0.000 1.316 168 I HN 0.561 nan 8.210 nan 0.000 0.454 169 T N 7.133 121.960 114.554 0.453 0.000 2.807 169 T HA 0.661 5.011 4.350 0.000 0.000 0.279 169 T C -0.224 174.868 174.700 0.654 0.000 0.993 169 T CA -0.410 62.035 62.100 0.575 0.000 0.970 169 T CB 1.435 70.642 68.868 0.564 0.000 0.950 169 T HN 0.273 nan 8.240 nan 0.000 0.441 170 I N 2.233 123.162 120.570 0.600 0.000 2.478 170 I HA 0.599 4.769 4.170 0.000 0.000 0.287 170 I C -0.132 176.198 176.117 0.355 0.000 1.042 170 I CA -1.148 60.414 61.300 0.436 0.000 1.067 170 I CB 1.705 39.887 38.000 0.303 0.000 1.233 170 I HN 0.677 nan 8.210 nan 0.000 0.431 171 A N 7.917 130.857 122.820 0.201 0.000 2.276 171 A HA 0.863 5.183 4.320 0.000 0.000 0.316 171 A C -0.620 177.190 177.584 0.377 0.000 1.229 171 A CA -0.377 51.603 52.037 -0.094 0.000 0.851 171 A CB 0.590 19.101 19.000 -0.815 0.000 1.165 171 A HN 0.696 nan 8.150 nan 0.000 0.513 172 I N 2.809 123.634 120.570 0.424 0.000 2.436 172 I HA 0.283 4.453 4.170 0.000 0.000 0.289 172 I C -0.359 175.857 176.117 0.165 0.000 1.010 172 I CA -0.652 60.856 61.300 0.348 0.000 1.098 172 I CB 1.940 40.136 38.000 0.327 0.000 1.266 172 I HN 0.647 nan 8.210 nan 0.000 0.434 173 N N 5.165 123.721 118.700 -0.239 0.000 2.400 173 N HA 0.208 4.948 4.740 0.000 0.000 0.288 173 N C -0.257 175.079 175.510 -0.291 0.000 1.024 173 N CA -0.301 52.375 53.050 -0.624 0.000 0.894 173 N CB 1.366 39.040 38.487 -1.356 0.000 1.173 173 N HN 0.657 nan 8.380 nan 0.000 0.487 174 N N 1.165 119.683 118.700 -0.305 0.000 2.214 174 N HA 0.027 4.767 4.740 0.000 0.000 0.214 174 N C -0.705 174.668 175.510 -0.228 0.000 1.132 174 N CA -0.275 52.486 53.050 -0.482 0.000 0.856 174 N CB -0.044 38.084 38.487 -0.599 0.000 1.020 174 N HN 0.196 nan 8.380 nan 0.000 0.509 175 T N 1.856 116.300 114.554 -0.183 0.000 2.814 175 T HA 0.300 4.650 4.350 0.000 0.000 0.297 175 T C 0.343 175.018 174.700 -0.042 0.000 0.956 175 T CA -0.284 61.745 62.100 -0.118 0.000 1.123 175 T CB 0.887 69.656 68.868 -0.165 0.000 0.902 175 T HN 0.115 nan 8.240 nan 0.000 0.528 176 L N 3.555 124.779 121.223 0.001 0.000 2.343 176 L HA 0.687 5.027 4.340 0.000 0.000 0.275 176 L C 0.972 177.830 176.870 -0.020 0.000 1.056 176 L CA -0.777 54.072 54.840 0.015 0.000 0.804 176 L CB 1.459 43.569 42.059 0.085 0.000 1.203 176 L HN 0.758 nan 8.230 nan 0.000 0.440 177 T N -2.036 112.482 114.554 -0.060 0.000 2.838 177 T HA 0.422 4.773 4.350 0.000 0.000 0.292 177 T C -2.475 172.169 174.700 -0.094 0.000 1.113 177 T CA -1.843 60.226 62.100 -0.052 0.000 1.008 177 T CB 1.967 70.792 68.868 -0.072 0.000 1.259 177 T HN 0.210 nan 8.240 nan 0.000 0.520 178 P HA 0.033 nan 4.420 nan 0.000 0.229 178 P C 1.007 178.264 177.300 -0.070 0.000 1.150 178 P CA 1.072 64.212 63.100 0.067 0.000 0.765 178 P CB -0.165 31.674 31.700 0.231 0.000 0.783 179 T N -6.517 107.963 114.554 -0.123 0.000 3.145 179 T HA 0.162 4.512 4.350 0.000 0.000 0.281 179 T C 0.521 175.015 174.700 -0.343 0.000 1.003 179 T CA -0.310 61.690 62.100 -0.166 0.000 0.901 179 T CB -0.788 68.006 68.868 -0.123 0.000 1.112 179 T HN 0.048 nan 8.240 nan 0.000 0.535 180 T N 0.706 115.087 114.554 -0.288 0.000 2.927 180 T HA 0.738 5.088 4.350 0.000 0.000 0.281 180 T C -0.358 174.252 174.700 -0.150 0.000 0.998 180 T CA -0.971 60.969 62.100 -0.268 0.000 1.019 180 T CB 1.308 70.086 68.868 -0.151 0.000 1.061 180 T HN 0.246 nan 8.240 nan 0.000 0.518 181 L N 2.374 123.594 121.223 -0.005 0.000 2.372 181 L HA 0.434 4.774 4.340 0.000 0.000 0.273 181 L C -2.284 174.580 176.870 -0.010 0.000 0.989 181 L CA -2.359 52.461 54.840 -0.032 0.000 0.841 181 L CB 2.259 44.289 42.059 -0.050 0.000 1.225 181 L HN 0.552 nan 8.230 nan 0.000 0.414 182 P HA 0.234 nan 4.420 nan 0.000 0.272 182 P C -2.705 174.518 177.300 -0.129 0.000 1.223 182 P CA -1.374 61.624 63.100 -0.170 0.000 0.784 182 P CB 0.101 31.487 31.700 -0.524 0.000 0.923 183 P HA 0.411 nan 4.420 nan 0.000 0.278 183 P C -0.114 177.075 177.300 -0.185 0.000 1.266 183 P CA 0.062 62.904 63.100 -0.430 0.000 0.807 183 P CB 0.908 31.891 31.700 -1.195 0.000 1.094 184 G N -1.096 107.614 108.800 -0.149 0.000 2.550 184 G HA2 0.629 4.589 3.960 0.000 0.000 0.293 184 G HA3 0.629 4.589 3.960 0.000 0.000 0.293 184 G C -1.435 173.565 174.900 0.167 0.000 1.402 184 G CA -0.505 44.654 45.100 0.098 0.000 0.784 184 G HN 0.721 nan 8.290 nan 0.000 0.482 185 T N -2.065 112.605 114.554 0.193 0.000 2.901 185 T HA 0.747 5.097 4.350 0.000 0.000 0.293 185 T C -0.888 173.860 174.700 0.080 0.000 1.084 185 T CA -0.809 61.388 62.100 0.162 0.000 1.008 185 T CB 1.969 70.969 68.868 0.220 0.000 1.170 185 T HN 0.494 nan 8.240 nan 0.000 0.509 186 I N 2.188 122.796 120.570 0.063 0.000 2.404 186 I HA 0.376 4.547 4.170 0.000 0.000 0.293 186 I C -0.531 175.620 176.117 0.057 0.000 0.992 186 I CA -0.726 60.596 61.300 0.037 0.000 1.149 186 I CB 1.905 39.893 38.000 -0.020 0.000 1.315 186 I HN 0.689 nan 8.210 nan 0.000 0.446 187 Q N 6.311 126.127 119.800 0.028 0.000 2.357 187 Q HA 0.368 4.708 4.340 0.000 0.000 0.266 187 Q C -1.245 174.762 176.000 0.011 0.000 1.021 187 Q CA -0.657 55.175 55.803 0.049 0.000 0.784 187 Q CB 1.808 30.561 28.738 0.025 0.000 1.243 187 Q HN 0.358 nan 8.270 nan 0.000 0.465 188 Y N 2.024 122.359 120.300 0.058 0.000 2.393 188 Y HA 0.242 4.792 4.550 0.000 0.000 0.338 188 Y C 0.337 176.267 175.900 0.049 0.000 1.029 188 Y CA -0.168 57.983 58.100 0.086 0.000 1.239 188 Y CB 0.823 39.309 38.460 0.044 0.000 1.170 188 Y HN 0.405 nan 8.280 nan 0.000 0.515 189 L N 4.372 125.678 121.223 0.138 0.000 2.277 189 L HA 0.267 4.607 4.340 0.000 0.000 0.284 189 L C 0.766 177.691 176.870 0.092 0.000 1.028 189 L CA -0.317 54.505 54.840 -0.030 0.000 0.835 189 L CB 1.040 42.761 42.059 -0.563 0.000 1.215 189 L HN 0.734 nan 8.230 nan 0.000 0.425 190 T N -3.393 111.239 114.554 0.130 0.000 3.086 190 T HA 0.006 4.356 4.350 0.000 0.000 0.250 190 T C 0.547 175.331 174.700 0.141 0.000 1.074 190 T CA -0.388 61.802 62.100 0.150 0.000 0.988 190 T CB -0.106 68.833 68.868 0.118 0.000 0.988 190 T HN 0.325 nan 8.240 nan 0.000 0.530 191 D N 3.571 124.070 120.400 0.166 0.000 2.367 191 D HA 0.049 4.689 4.640 0.000 0.000 0.255 191 D C 1.477 177.869 176.300 0.154 0.000 1.300 191 D CA 0.159 54.250 54.000 0.152 0.000 0.959 191 D CB 0.870 41.768 40.800 0.164 0.000 1.064 191 D HN 0.414 nan 8.370 nan 0.000 0.509 192 T N -0.510 114.107 114.554 0.105 0.000 3.163 192 T HA -0.121 4.229 4.350 0.000 0.000 0.260 192 T C 1.675 176.394 174.700 0.031 0.000 1.156 192 T CA 0.724 62.874 62.100 0.084 0.000 1.072 192 T CB -0.193 68.722 68.868 0.077 0.000 0.937 192 T HN 0.240 nan 8.240 nan 0.000 0.528 193 S N 0.961 116.668 115.700 0.013 0.000 2.496 193 S HA 0.141 4.611 4.470 0.000 0.000 0.224 193 S C 1.663 176.205 174.600 -0.097 0.000 0.996 193 S CA -0.070 58.113 58.200 -0.028 0.000 0.927 193 S CB -0.149 63.040 63.200 -0.018 0.000 0.774 193 S HN 0.642 nan 8.310 nan 0.000 0.524 194 K N -0.927 119.384 120.400 -0.149 0.000 2.435 194 K HA 0.310 4.630 4.320 0.000 0.000 0.199 194 K C -0.888 175.276 176.600 -0.727 0.000 1.153 194 K CA 0.133 56.160 56.287 -0.433 0.000 0.974 194 K CB 0.629 32.805 32.500 -0.539 0.000 0.997 194 K HN 0.361 nan 8.250 nan 0.000 0.547 195 Y N 1.371 121.577 120.300 -0.156 0.000 2.492 195 Y HA 0.307 4.857 4.550 0.000 0.000 0.346 195 Y C -2.513 173.344 175.900 -0.071 0.000 0.997 195 Y CA -2.924 55.023 58.100 -0.254 0.000 1.025 195 Y CB 1.404 39.613 38.460 -0.418 0.000 1.263 195 Y HN -0.124 nan 8.280 nan 0.000 0.454 196 P HA 0.009 nan 4.420 nan 0.000 0.270 196 P C -0.713 176.717 177.300 0.217 0.000 1.223 196 P CA -0.492 62.703 63.100 0.158 0.000 0.785 196 P CB 1.041 32.839 31.700 0.163 0.000 0.923 197 K N 0.889 121.392 120.400 0.171 0.000 2.491 197 K HA 0.117 4.437 4.320 0.000 0.000 0.279 197 K C 1.178 177.916 176.600 0.229 0.000 1.026 197 K CA 1.261 57.656 56.287 0.180 0.000 1.070 197 K CB -0.848 31.732 32.500 0.134 0.000 0.887 197 K HN 0.820 nan 8.250 nan 0.000 0.481 198 G N 3.170 112.137 108.800 0.278 0.000 2.175 198 G HA2 -0.323 3.638 3.960 0.000 0.000 0.244 198 G HA3 -0.323 3.638 3.960 0.000 0.000 0.244 198 G C -0.220 174.921 174.900 0.403 0.000 0.982 198 G CA 0.205 45.518 45.100 0.355 0.000 0.641 198 G HN 0.738 nan 8.290 nan 0.000 0.527 199 Y N 1.461 121.876 120.300 0.191 0.000 2.717 199 Y HA 0.415 4.965 4.550 0.000 0.000 0.330 199 Y C 0.515 176.410 175.900 -0.009 0.000 1.217 199 Y CA 0.601 58.737 58.100 0.060 0.000 1.506 199 Y CB -0.126 38.370 38.460 0.061 0.000 1.268 199 Y HN 0.604 nan 8.280 nan 0.000 0.561 200 F N 4.837 124.369 119.950 -0.697 0.000 2.662 200 F HA 0.753 5.281 4.527 0.000 0.000 0.312 200 F C -1.795 173.551 175.800 -0.756 0.000 1.113 200 F CA -1.387 56.151 58.000 -0.769 0.000 0.951 200 F CB 0.673 38.961 39.000 -1.186 0.000 1.344 200 F HN 0.328 nan 8.300 nan 0.000 0.462 201 V N -0.383 119.310 119.914 -0.369 0.000 3.007 201 V HA 0.665 4.785 4.120 0.000 0.000 0.311 201 V C -1.158 174.879 176.094 -0.096 0.000 1.120 201 V CA -0.940 61.163 62.300 -0.328 0.000 0.980 201 V CB 1.521 33.200 31.823 -0.240 0.000 1.033 201 V HN 1.101 nan 8.190 nan 0.000 0.429 202 Q N 2.665 122.398 119.800 -0.111 0.000 2.296 202 Q HA 0.443 4.783 4.340 0.000 0.000 0.257 202 Q C -0.645 175.281 176.000 -0.124 0.000 0.942 202 Q CA 0.219 55.979 55.803 -0.073 0.000 0.939 202 Q CB 0.882 29.570 28.738 -0.083 0.000 1.198 202 Q HN 0.848 nan 8.270 nan 0.000 0.429 203 N N 2.226 120.865 118.700 -0.102 0.000 2.479 203 N HA 0.484 5.224 4.740 0.000 0.000 0.285 203 N C -1.047 174.304 175.510 -0.264 0.000 1.075 203 N CA -0.112 52.819 53.050 -0.198 0.000 0.967 203 N CB 1.657 40.079 38.487 -0.108 0.000 1.137 203 N HN 0.776 nan 8.380 nan 0.000 0.472 204 T N -1.838 112.388 114.554 -0.546 0.000 2.864 204 T HA 0.517 4.867 4.350 0.000 0.000 0.299 204 T C -0.760 173.425 174.700 -0.859 0.000 1.166 204 T CA -0.549 61.191 62.100 -0.598 0.000 1.007 204 T CB 0.939 69.212 68.868 -0.991 0.000 1.219 204 T HN 0.398 nan 8.240 nan 0.000 0.506 205 Y N 0.542 120.728 120.300 -0.189 0.000 2.721 205 Y HA 0.452 5.002 4.550 0.000 0.000 0.251 205 Y C -0.401 175.525 175.900 0.043 0.000 1.136 205 Y CA -1.336 56.748 58.100 -0.026 0.000 1.142 205 Y CB 0.302 38.841 38.460 0.131 0.000 1.212 205 Y HN 0.720 nan 8.280 nan 0.000 0.565 206 F N -2.363 117.582 119.950 -0.008 0.000 2.546 206 F HA 0.636 5.163 4.527 0.000 0.000 0.320 206 F C -0.171 175.577 175.800 -0.087 0.000 1.076 206 F CA -1.688 56.271 58.000 -0.069 0.000 0.928 206 F CB 1.209 40.073 39.000 -0.226 0.000 1.189 206 F HN -0.218 nan 8.300 nan 0.000 0.465 207 D N 2.902 123.497 120.400 0.325 0.000 3.110 207 D HA 0.272 4.912 4.640 0.000 0.000 0.254 207 D C -1.327 175.431 176.300 0.764 0.000 1.283 207 D CA 0.011 54.253 54.000 0.404 0.000 0.944 207 D CB -0.485 40.564 40.800 0.416 0.000 1.066 207 D HN 0.474 nan 8.370 nan 0.000 0.496 208 F N -1.356 118.955 119.950 0.602 0.000 2.688 208 F HA 0.417 4.945 4.527 0.000 0.000 0.308 208 F C -1.381 174.707 175.800 0.480 0.000 1.117 208 F CA -1.839 56.503 58.000 0.570 0.000 0.976 208 F CB 0.412 39.617 39.000 0.341 0.000 1.291 208 F HN -0.192 nan 8.300 nan 0.000 0.439 209 F N 2.855 123.046 119.950 0.401 0.000 2.484 209 F HA 0.299 4.827 4.527 0.000 0.000 0.360 209 F C 0.878 176.814 175.800 0.226 0.000 1.101 209 F CA -0.079 57.980 58.000 0.099 0.000 1.251 209 F CB 0.702 39.562 39.000 -0.234 0.000 1.132 209 F HN 0.715 nan 8.300 nan 0.000 0.570 210 N N 5.222 123.584 118.700 -0.565 0.000 3.243 210 N HA 0.015 4.755 4.740 0.000 0.000 0.310 210 N C -1.066 174.296 175.510 -0.246 0.000 1.313 210 N CA -0.077 52.888 53.050 -0.142 0.000 1.204 210 N CB -0.802 37.642 38.487 -0.071 0.000 1.483 210 N HN 0.415 nan 8.380 nan 0.000 0.553 211 Y N 0.578 120.906 120.300 0.047 0.000 2.861 211 Y HA 0.159 4.709 4.550 0.000 0.000 0.344 211 Y C 1.054 176.966 175.900 0.020 0.000 1.272 211 Y CA 0.481 58.634 58.100 0.088 0.000 1.502 211 Y CB 0.401 38.965 38.460 0.174 0.000 1.333 211 Y HN 0.346 nan 8.280 nan 0.000 0.634 212 A N 0.744 123.541 122.820 -0.038 0.000 2.566 212 A HA 0.920 5.240 4.320 0.000 0.000 0.292 212 A C -0.052 177.506 177.584 -0.044 0.000 1.112 212 A CA -0.017 52.020 52.037 -0.000 0.000 0.707 212 A CB 1.691 20.648 19.000 -0.072 0.000 1.302 212 A HN 1.364 nan 8.150 nan 0.000 0.409 213 G N -1.263 107.709 108.800 0.287 0.000 2.340 213 G HA2 0.379 4.340 3.960 0.000 0.000 0.282 213 G HA3 0.379 4.340 3.960 0.000 0.000 0.282 213 G C -1.411 173.543 174.900 0.090 0.000 1.312 213 G CA -0.649 44.719 45.100 0.447 0.000 0.942 213 G HN 1.098 nan 8.290 nan 0.000 0.495 214 L N 1.478 122.590 121.223 -0.186 0.000 2.389 214 L HA 0.295 4.635 4.340 0.000 0.000 0.265 214 L C 1.530 178.284 176.870 -0.192 0.000 1.167 214 L CA -0.102 54.517 54.840 -0.368 0.000 1.045 214 L CB 0.668 42.243 42.059 -0.807 0.000 1.351 214 L HN 0.632 nan 8.230 nan 0.000 0.419 215 Q N 1.318 121.056 119.800 -0.104 0.000 2.425 215 Q HA 0.145 4.485 4.340 0.000 0.000 0.204 215 Q C 0.163 176.141 176.000 -0.038 0.000 0.933 215 Q CA 0.509 56.277 55.803 -0.058 0.000 0.939 215 Q CB 0.502 29.215 28.738 -0.042 0.000 1.044 215 Q HN 0.545 nan 8.270 nan 0.000 0.513 216 R N -0.216 120.239 120.500 -0.076 0.000 2.867 216 R HA 0.408 4.748 4.340 0.000 0.000 0.268 216 R C -0.672 175.562 176.300 -0.110 0.000 1.014 216 R CA -0.650 55.405 56.100 -0.076 0.000 0.946 216 R CB 1.791 32.041 30.300 -0.084 0.000 1.208 216 R HN -0.042 nan 8.270 nan 0.000 0.477 217 S N 0.768 116.401 115.700 -0.112 0.000 2.552 217 S HA 0.104 4.574 4.470 0.000 0.000 0.289 217 S C 0.155 174.715 174.600 -0.066 0.000 1.304 217 S CA -0.555 57.610 58.200 -0.059 0.000 1.063 217 S CB 0.580 63.751 63.200 -0.048 0.000 0.848 217 S HN 0.229 nan 8.310 nan 0.000 0.499 218 V N 4.484 124.391 119.914 -0.012 0.000 2.483 218 V HA 0.714 4.834 4.120 0.000 0.000 0.295 218 V C -0.016 176.146 176.094 0.114 0.000 1.035 218 V CA -0.717 61.597 62.300 0.023 0.000 0.896 218 V CB 0.915 32.782 31.823 0.073 0.000 0.986 218 V HN 0.837 nan 8.190 nan 0.000 0.447 219 L N 3.000 124.280 121.223 0.095 0.000 2.540 219 L HA 0.796 5.136 4.340 0.000 0.000 0.256 219 L C -1.552 175.405 176.870 0.146 0.000 1.001 219 L CA -0.889 54.030 54.840 0.131 0.000 0.843 219 L CB 2.141 44.259 42.059 0.098 0.000 1.436 219 L HN 0.382 nan 8.230 nan 0.000 0.410 220 L N 2.125 123.462 121.223 0.189 0.000 2.334 220 L HA 0.689 5.029 4.340 0.000 0.000 0.275 220 L C -0.853 176.151 176.870 0.224 0.000 1.036 220 L CA -0.618 54.330 54.840 0.180 0.000 0.807 220 L CB 1.652 43.900 42.059 0.315 0.000 1.231 220 L HN 0.770 nan 8.230 nan 0.000 0.438 221 Y N -0.317 119.936 120.300 -0.079 0.000 2.615 221 Y HA 0.803 5.353 4.550 0.000 0.000 0.341 221 Y C -0.623 175.039 175.900 -0.398 0.000 1.089 221 Y CA -1.168 56.828 58.100 -0.173 0.000 1.049 221 Y CB 1.531 39.916 38.460 -0.124 0.000 1.296 221 Y HN 0.536 nan 8.280 nan 0.000 0.470 222 T N -0.405 113.996 114.554 -0.255 0.000 2.887 222 T HA 0.802 5.153 4.350 0.000 0.000 0.288 222 T C -0.448 174.164 174.700 -0.146 0.000 1.021 222 T CA -0.097 61.742 62.100 -0.435 0.000 1.000 222 T CB 1.619 70.075 68.868 -0.687 0.000 1.034 222 T HN 1.293 nan 8.240 nan 0.000 0.467 223 T N -0.704 113.723 114.554 -0.211 0.000 2.865 223 T HA 0.780 5.130 4.350 0.000 0.000 0.294 223 T C -3.143 171.497 174.700 -0.101 0.000 1.119 223 T CA -2.063 59.974 62.100 -0.104 0.000 1.007 223 T CB 1.255 70.035 68.868 -0.148 0.000 1.225 223 T HN 0.457 nan 8.240 nan 0.000 0.515 224 P HA 0.175 nan 4.420 nan 0.000 0.273 224 P C 1.327 178.662 177.300 0.058 0.000 1.250 224 P CA -0.163 62.948 63.100 0.020 0.000 0.793 224 P CB 0.175 31.908 31.700 0.055 0.000 1.011 225 T N -3.887 110.703 114.554 0.061 0.000 2.995 225 T HA -0.010 4.340 4.350 0.000 0.000 0.269 225 T C 0.597 175.414 174.700 0.194 0.000 1.091 225 T CA 1.057 63.220 62.100 0.104 0.000 1.128 225 T CB -0.855 68.043 68.868 0.050 0.000 0.891 225 T HN 0.298 nan 8.240 nan 0.000 0.492 226 T N 2.590 117.218 114.554 0.123 0.000 2.794 226 T HA 0.611 4.961 4.350 0.000 0.000 0.280 226 T C -1.201 173.528 174.700 0.048 0.000 0.987 226 T CA -0.705 61.400 62.100 0.009 0.000 0.993 226 T CB 0.810 69.645 68.868 -0.055 0.000 0.939 226 T HN 0.563 nan 8.240 nan 0.000 0.449 227 Y N 0.072 120.290 120.300 -0.137 0.000 2.638 227 Y HA 0.672 5.223 4.550 0.000 0.000 0.335 227 Y C -1.165 174.634 175.900 -0.167 0.000 1.155 227 Y CA -1.832 56.195 58.100 -0.122 0.000 1.046 227 Y CB 0.522 38.942 38.460 -0.067 0.000 1.303 227 Y HN 0.457 nan 8.280 nan 0.000 0.460 228 I N 2.474 123.053 120.570 0.015 0.000 2.494 228 I HA 0.061 4.231 4.170 0.000 0.000 0.289 228 I C 0.136 176.263 176.117 0.017 0.000 1.106 228 I CA 0.674 61.929 61.300 -0.075 0.000 1.369 228 I CB 0.535 38.507 38.000 -0.047 0.000 1.410 228 I HN 0.817 nan 8.210 nan 0.000 0.523 229 D N 3.714 124.059 120.400 -0.092 0.000 2.324 229 D HA -0.001 4.639 4.640 0.000 0.000 0.212 229 D C 0.027 176.292 176.300 -0.059 0.000 0.984 229 D CA 0.791 54.799 54.000 0.013 0.000 0.885 229 D CB 0.539 41.289 40.800 -0.083 0.000 0.996 229 D HN 0.479 nan 8.370 nan 0.000 0.505 230 D N -0.832 119.503 120.400 -0.109 0.000 2.736 230 D HA 0.380 5.020 4.640 0.000 0.000 0.223 230 D C -1.360 174.878 176.300 -0.104 0.000 1.231 230 D CA -0.512 53.424 54.000 -0.107 0.000 0.818 230 D CB 1.615 42.373 40.800 -0.069 0.000 1.587 230 D HN 0.009 nan 8.370 nan 0.000 0.463 231 I N 1.144 121.655 120.570 -0.100 0.000 2.619 231 I HA 0.389 4.559 4.170 0.000 0.000 0.292 231 I C -0.499 175.601 176.117 -0.029 0.000 1.100 231 I CA -0.568 60.702 61.300 -0.049 0.000 1.043 231 I CB 2.605 40.579 38.000 -0.043 0.000 1.239 231 I HN 0.120 nan 8.210 nan 0.000 0.420 232 T N 4.763 119.317 114.554 0.000 0.000 2.840 232 T HA 0.557 4.908 4.350 0.000 0.000 0.287 232 T C -0.628 174.085 174.700 0.021 0.000 0.991 232 T CA -0.471 61.627 62.100 -0.002 0.000 0.964 232 T CB 1.938 70.798 68.868 -0.013 0.000 0.954 232 T HN 0.180 nan 8.240 nan 0.000 0.438 233 V N 3.809 123.728 119.914 0.009 0.000 2.604 233 V HA 0.803 4.924 4.120 0.000 0.000 0.305 233 V C 0.218 176.303 176.094 -0.014 0.000 1.043 233 V CA -0.761 61.549 62.300 0.016 0.000 0.888 233 V CB 2.081 33.916 31.823 0.019 0.000 0.995 233 V HN 1.088 nan 8.190 nan 0.000 0.429 234 T N 0.187 114.730 114.554 -0.018 0.000 2.906 234 T HA 0.828 5.179 4.350 0.000 0.000 0.295 234 T C -0.456 174.216 174.700 -0.046 0.000 1.061 234 T CA -0.579 61.498 62.100 -0.040 0.000 1.000 234 T CB 2.042 70.887 68.868 -0.039 0.000 1.103 234 T HN 0.838 nan 8.240 nan 0.000 0.486 235 T N -0.947 113.568 114.554 -0.066 0.000 2.893 235 T HA 0.836 5.186 4.350 0.000 0.000 0.293 235 T C -0.303 174.350 174.700 -0.078 0.000 1.027 235 T CA -0.521 61.536 62.100 -0.071 0.000 0.988 235 T CB 1.586 70.404 68.868 -0.082 0.000 1.043 235 T HN 1.377 nan 8.240 nan 0.000 0.461 236 S N 0.609 116.266 115.700 -0.072 0.000 2.705 236 S HA 0.852 5.322 4.470 0.000 0.000 0.280 236 S C -1.307 173.253 174.600 -0.066 0.000 1.174 236 S CA -0.837 57.321 58.200 -0.070 0.000 0.823 236 S CB 1.305 64.470 63.200 -0.057 0.000 1.162 236 S HN 0.941 nan 8.310 nan 0.000 0.487 237 V N 1.246 121.126 119.914 -0.057 0.000 2.735 237 V HA 0.772 4.893 4.120 0.000 0.000 0.310 237 V C -0.926 175.150 176.094 -0.030 0.000 1.061 237 V CA -0.685 61.587 62.300 -0.046 0.000 0.913 237 V CB 1.444 33.240 31.823 -0.045 0.000 1.005 237 V HN 1.100 nan 8.190 nan 0.000 0.428 238 E N 2.585 122.772 120.200 -0.023 0.000 2.278 238 E HA 0.690 5.040 4.350 0.000 0.000 0.272 238 E C -0.523 176.074 176.600 -0.005 0.000 0.890 238 E CA -0.766 55.627 56.400 -0.013 0.000 0.770 238 E CB 2.160 31.851 29.700 -0.015 0.000 1.212 238 E HN 0.487 nan 8.360 nan 0.000 0.415 239 Q N 1.345 121.148 119.800 0.003 0.000 1.932 239 Q HA -0.305 4.035 4.340 0.000 0.000 0.407 239 Q C 0.195 176.205 176.000 0.016 0.000 0.787 239 Q CA 2.457 58.267 55.803 0.011 0.000 0.852 239 Q CB -1.089 27.654 28.738 0.008 0.000 3.472 239 Q HN 0.998 nan 8.270 nan 0.000 0.793 240 D N -0.330 120.080 120.400 0.017 0.000 2.525 240 D HA 0.271 4.911 4.640 0.000 0.000 0.229 240 D C -0.620 175.686 176.300 0.009 0.000 1.202 240 D CA 0.061 54.075 54.000 0.022 0.000 0.828 240 D CB 0.214 41.032 40.800 0.029 0.000 1.008 240 D HN 0.163 nan 8.370 nan 0.000 0.493 241 S N -0.719 114.979 115.700 -0.003 0.000 2.578 241 S HA 0.757 5.227 4.470 0.000 0.000 0.301 241 S C 0.206 174.785 174.600 -0.036 0.000 1.091 241 S CA -0.689 57.500 58.200 -0.018 0.000 1.032 241 S CB 1.889 65.078 63.200 -0.018 0.000 1.064 241 S HN 0.378 nan 8.310 nan 0.000 0.508 242 G N 1.034 109.797 108.800 -0.062 0.000 2.388 242 G HA2 0.650 4.610 3.960 0.000 0.000 0.330 242 G HA3 0.650 4.610 3.960 0.000 0.000 0.330 242 G C -1.239 173.609 174.900 -0.087 0.000 1.142 242 G CA -0.625 44.422 45.100 -0.089 0.000 0.908 242 G HN 0.583 nan 8.290 nan 0.000 0.473 243 L N 1.785 122.963 121.223 -0.075 0.000 2.325 243 L HA 0.466 4.806 4.340 0.000 0.000 0.281 243 L C -0.632 176.203 176.870 -0.058 0.000 1.004 243 L CA -1.035 53.769 54.840 -0.059 0.000 0.823 243 L CB 2.187 44.217 42.059 -0.047 0.000 1.236 243 L HN 0.143 nan 8.230 nan 0.000 0.415 244 V N 2.648 122.540 119.914 -0.037 0.000 2.326 244 V HA 0.262 4.382 4.120 0.000 0.000 0.281 244 V C -0.294 175.832 176.094 0.055 0.000 1.015 244 V CA -0.711 61.586 62.300 -0.005 0.000 0.823 244 V CB 1.389 33.205 31.823 -0.012 0.000 1.009 244 V HN 0.718 nan 8.190 nan 0.000 0.436 245 N N 4.520 123.228 118.700 0.013 0.000 2.444 245 N HA 0.557 5.298 4.740 0.000 0.000 0.271 245 N C -0.887 174.643 175.510 0.034 0.000 1.069 245 N CA -0.475 52.555 53.050 -0.032 0.000 0.965 245 N CB 0.864 39.310 38.487 -0.067 0.000 1.092 245 N HN 0.757 nan 8.380 nan 0.000 0.476 246 Y N -0.830 119.452 120.300 -0.030 0.000 2.485 246 Y HA 0.617 5.167 4.550 0.000 0.000 0.345 246 Y C -0.856 175.031 175.900 -0.022 0.000 0.998 246 Y CA -1.155 56.931 58.100 -0.024 0.000 1.059 246 Y CB 1.291 39.741 38.460 -0.017 0.000 1.234 246 Y HN 0.331 nan 8.280 nan 0.000 0.461 247 Q N 3.777 123.636 119.800 0.099 0.000 2.305 247 Q HA 0.678 5.018 4.340 0.000 0.000 0.271 247 Q C -1.588 174.460 176.000 0.081 0.000 1.046 247 Q CA -0.715 55.113 55.803 0.042 0.000 0.798 247 Q CB 3.249 31.978 28.738 -0.014 0.000 1.286 247 Q HN 0.800 nan 8.270 nan 0.000 0.435 248 I N 1.211 121.830 120.570 0.083 0.000 2.533 248 I HA 0.405 4.575 4.170 0.000 0.000 0.290 248 I C -0.684 175.432 176.117 -0.001 0.000 1.056 248 I CA -0.652 60.673 61.300 0.041 0.000 1.057 248 I CB 2.361 40.402 38.000 0.067 0.000 1.240 248 I HN 0.473 nan 8.210 nan 0.000 0.423 249 S N 4.785 120.451 115.700 -0.058 0.000 2.472 249 S HA 0.697 5.167 4.470 0.000 0.000 0.303 249 S C -0.487 173.992 174.600 -0.201 0.000 1.099 249 S CA -0.729 57.416 58.200 -0.092 0.000 1.077 249 S CB 2.254 65.409 63.200 -0.076 0.000 1.031 249 S HN 0.287 nan 8.310 nan 0.000 0.487 250 V N 3.590 123.325 119.914 -0.298 0.000 2.540 250 V HA 0.539 4.659 4.120 0.000 0.000 0.302 250 V C -0.473 175.323 176.094 -0.498 0.000 1.035 250 V CA -0.794 61.185 62.300 -0.536 0.000 0.873 250 V CB 1.848 33.051 31.823 -1.032 0.000 0.992 250 V HN 0.670 nan 8.190 nan 0.000 0.428 251 K N 2.017 122.004 120.400 -0.688 0.000 2.208 251 K HA 0.842 5.162 4.320 0.000 0.000 0.247 251 K C 0.815 177.089 176.600 -0.544 0.000 0.953 251 K CA 0.121 56.053 56.287 -0.591 0.000 0.837 251 K CB 1.742 33.872 32.500 -0.617 0.000 1.131 251 K HN 0.924 nan 8.250 nan 0.000 0.431 252 G N 0.390 109.042 108.800 -0.247 0.000 2.792 252 G HA2 -0.216 3.745 3.960 0.000 0.000 0.201 252 G HA3 -0.216 3.745 3.960 0.000 0.000 0.201 252 G C -0.080 174.795 174.900 -0.041 0.000 1.322 252 G CA 0.294 45.331 45.100 -0.105 0.000 0.910 252 G HN 0.686 nan 8.290 nan 0.000 0.535 253 S N 0.579 116.258 115.700 -0.034 0.000 2.549 253 S HA 0.574 5.044 4.470 0.000 0.000 0.280 253 S C 0.514 175.221 174.600 0.178 0.000 1.109 253 S CA 0.506 58.740 58.200 0.057 0.000 0.905 253 S CB 1.489 64.731 63.200 0.070 0.000 1.081 253 S HN 0.871 nan 8.310 nan 0.000 0.477 254 N N 3.168 121.974 118.700 0.176 0.000 2.280 254 N HA 0.201 4.941 4.740 0.000 0.000 0.192 254 N C -0.384 175.165 175.510 0.064 0.000 1.109 254 N CA 0.044 53.222 53.050 0.212 0.000 0.855 254 N CB -0.133 38.400 38.487 0.077 0.000 0.974 254 N HN 0.459 nan 8.380 nan 0.000 0.482 255 L N 1.614 122.904 121.223 0.111 0.000 2.272 255 L HA 0.499 4.840 4.340 0.000 0.000 0.284 255 L C -1.186 175.751 176.870 0.112 0.000 1.045 255 L CA -0.934 53.903 54.840 -0.005 0.000 0.842 255 L CB -0.235 41.830 42.059 0.009 0.000 1.224 255 L HN 0.134 nan 8.230 nan 0.000 0.430 256 F N 1.521 121.453 119.950 -0.030 0.000 2.741 256 F HA 0.687 5.214 4.527 0.000 0.000 0.311 256 F C -1.312 174.469 175.800 -0.031 0.000 1.149 256 F CA -1.406 56.574 58.000 -0.034 0.000 0.930 256 F CB 1.448 40.420 39.000 -0.045 0.000 1.312 256 F HN 0.211 nan 8.300 nan 0.000 0.450 257 K N 1.669 122.195 120.400 0.211 0.000 2.375 257 K HA 0.837 5.157 4.320 0.000 0.000 0.249 257 K C -2.187 174.522 176.600 0.181 0.000 0.942 257 K CA -0.865 55.499 56.287 0.128 0.000 0.806 257 K CB 2.867 35.387 32.500 0.033 0.000 1.227 257 K HN 0.856 nan 8.250 nan 0.000 0.430 258 L N 2.079 123.390 121.223 0.146 0.000 2.341 258 L HA 0.418 4.758 4.340 0.000 0.000 0.278 258 L C -0.732 176.151 176.870 0.022 0.000 1.005 258 L CA -0.632 54.255 54.840 0.079 0.000 0.818 258 L CB 2.064 44.196 42.059 0.122 0.000 1.259 258 L HN 0.738 nan 8.230 nan 0.000 0.418 259 E N 2.499 122.677 120.200 -0.037 0.000 2.199 259 E HA 0.638 4.988 4.350 0.000 0.000 0.269 259 E C -1.404 175.135 176.600 -0.102 0.000 0.899 259 E CA -0.727 55.643 56.400 -0.050 0.000 0.772 259 E CB 3.006 32.681 29.700 -0.041 0.000 1.155 259 E HN 0.169 nan 8.360 nan 0.000 0.408 260 V N 2.871 122.700 119.914 -0.142 0.000 2.638 260 V HA 0.499 4.619 4.120 0.000 0.000 0.306 260 V C -0.428 175.568 176.094 -0.163 0.000 1.052 260 V CA -0.858 61.301 62.300 -0.234 0.000 0.885 260 V CB 1.808 33.286 31.823 -0.574 0.000 0.999 260 V HN 0.606 nan 8.190 nan 0.000 0.424 261 R N 2.950 123.390 120.500 -0.101 0.000 2.686 261 R HA 0.699 5.039 4.340 0.000 0.000 0.286 261 R C -1.551 174.732 176.300 -0.029 0.000 0.969 261 R CA -0.912 55.161 56.100 -0.044 0.000 0.898 261 R CB 2.446 32.749 30.300 0.005 0.000 1.183 261 R HN 0.529 nan 8.270 nan 0.000 0.456 262 L N 3.934 125.154 121.223 -0.005 0.000 2.272 262 L HA 0.459 4.799 4.340 0.000 0.000 0.289 262 L C -1.266 175.673 176.870 0.116 0.000 1.032 262 L CA -0.200 54.664 54.840 0.039 0.000 0.810 262 L CB 1.104 43.154 42.059 -0.016 0.000 1.205 262 L HN 0.462 nan 8.230 nan 0.000 0.422 263 L N 3.896 125.215 121.223 0.160 0.000 2.317 263 L HA 0.506 4.846 4.340 0.000 0.000 0.281 263 L C -0.143 176.886 176.870 0.264 0.000 1.024 263 L CA -1.114 53.824 54.840 0.164 0.000 0.810 263 L CB 1.451 43.563 42.059 0.089 0.000 1.240 263 L HN 0.606 nan 8.230 nan 0.000 0.427 264 D N 2.240 122.779 120.400 0.232 0.000 2.398 264 D HA 0.147 4.787 4.640 0.000 0.000 0.264 264 D C 1.058 177.329 176.300 -0.047 0.000 1.263 264 D CA -0.075 53.998 54.000 0.123 0.000 1.037 264 D CB 0.806 41.714 40.800 0.179 0.000 1.101 264 D HN 0.516 nan 8.370 nan 0.000 0.551 265 A N -0.942 121.784 122.820 -0.157 0.000 2.019 265 A HA -0.156 4.164 4.320 0.000 0.000 0.219 265 A C 1.683 179.193 177.584 -0.122 0.000 1.164 265 A CA 1.483 53.346 52.037 -0.289 0.000 0.644 265 A CB -0.815 17.886 19.000 -0.498 0.000 0.805 265 A HN 0.691 nan 8.150 nan 0.000 0.449 266 E N 0.114 120.290 120.200 -0.039 0.000 2.405 266 E HA 0.108 4.458 4.350 0.000 0.000 0.214 266 E C -0.373 176.226 176.600 -0.001 0.000 1.101 266 E CA 0.130 56.520 56.400 -0.016 0.000 1.254 266 E CB -0.665 29.039 29.700 0.006 0.000 1.240 266 E HN 0.650 nan 8.360 nan 0.000 0.439 267 N N 0.315 119.013 118.700 -0.003 0.000 2.666 267 N HA -0.302 4.438 4.740 0.000 0.000 0.248 267 N C -0.386 175.145 175.510 0.034 0.000 1.118 267 N CA 0.912 53.971 53.050 0.014 0.000 0.722 267 N CB -1.203 37.283 38.487 -0.001 0.000 1.050 267 N HN 0.228 nan 8.380 nan 0.000 0.550 268 K N 0.682 121.112 120.400 0.050 0.000 2.201 268 K HA 0.395 4.715 4.320 0.000 0.000 0.278 268 K C -0.362 176.288 176.600 0.083 0.000 1.027 268 K CA -0.735 55.587 56.287 0.059 0.000 0.909 268 K CB 0.913 33.449 32.500 0.060 0.000 1.062 268 K HN 0.022 nan 8.250 nan 0.000 0.465 269 V N 5.891 125.847 119.914 0.069 0.000 2.479 269 V HA -0.035 4.085 4.120 0.000 0.000 0.281 269 V C 1.092 177.233 176.094 0.078 0.000 1.031 269 V CA 0.069 62.411 62.300 0.072 0.000 1.038 269 V CB 0.874 32.727 31.823 0.050 0.000 0.981 269 V HN 0.782 nan 8.190 nan 0.000 0.478 270 V N 1.956 121.928 119.914 0.097 0.000 3.645 270 V HA 0.808 4.928 4.120 0.000 0.000 0.275 270 V C 0.503 176.622 176.094 0.042 0.000 1.356 270 V CA 0.640 62.993 62.300 0.088 0.000 1.051 270 V CB 0.120 32.035 31.823 0.153 0.000 0.828 270 V HN 0.981 nan 8.190 nan 0.000 0.441 271 A N 1.509 124.346 122.820 0.028 0.000 2.599 271 A HA 0.747 5.067 4.320 0.000 0.000 0.294 271 A C -1.242 176.344 177.584 0.004 0.000 1.055 271 A CA -0.116 51.926 52.037 0.008 0.000 0.683 271 A CB 1.294 20.284 19.000 -0.016 0.000 1.278 271 A HN 0.685 nan 8.150 nan 0.000 0.412 272 N N 0.220 118.925 118.700 0.007 0.000 2.710 272 N HA 0.744 5.484 4.740 0.000 0.000 0.257 272 N C -0.390 175.131 175.510 0.018 0.000 1.327 272 N CA 0.058 53.104 53.050 -0.006 0.000 0.861 272 N CB 1.644 40.131 38.487 0.000 0.000 1.532 272 N HN 1.557 nan 8.380 nan 0.000 0.499 273 G N -0.813 107.988 108.800 0.002 0.000 2.682 273 G HA2 0.716 4.676 3.960 0.000 0.000 0.303 273 G HA3 0.716 4.676 3.960 0.000 0.000 0.303 273 G C -1.353 173.582 174.900 0.058 0.000 1.341 273 G CA -0.154 44.994 45.100 0.080 0.000 0.784 273 G HN 0.996 nan 8.290 nan 0.000 0.497 274 T N -3.777 110.864 114.554 0.144 0.000 2.778 274 T HA 0.875 5.225 4.350 0.000 0.000 0.293 274 T C 0.507 175.326 174.700 0.199 0.000 1.144 274 T CA 0.419 62.587 62.100 0.113 0.000 1.010 274 T CB 1.449 70.355 68.868 0.064 0.000 1.325 274 T HN 2.703 nan 8.240 nan 0.000 0.515 275 G N 0.236 109.126 108.800 0.150 0.000 2.796 275 G HA2 -0.019 3.942 3.960 0.000 0.000 0.571 275 G HA3 -0.019 3.942 3.960 0.000 0.000 0.571 275 G C 0.592 175.625 174.900 0.221 0.000 1.370 275 G CA 0.569 45.756 45.100 0.145 0.000 0.856 275 G HN 1.984 nan 8.290 nan 0.000 0.538 276 T N -2.308 112.345 114.554 0.166 0.000 3.113 276 T HA 0.357 4.707 4.350 0.000 0.000 0.256 276 T C 0.825 175.587 174.700 0.104 0.000 1.131 276 T CA 1.898 64.098 62.100 0.167 0.000 1.074 276 T CB -0.158 68.796 68.868 0.143 0.000 0.944 276 T HN 1.586 nan 8.240 nan 0.000 0.516 277 Q N -0.901 118.901 119.800 0.003 0.000 2.482 277 Q HA 0.662 5.002 4.340 0.000 0.000 0.286 277 Q C -0.812 174.856 176.000 -0.554 0.000 1.007 277 Q CA -1.224 54.414 55.803 -0.276 0.000 0.801 277 Q CB 1.664 30.290 28.738 -0.187 0.000 1.455 277 Q HN 0.275 nan 8.270 nan 0.000 0.398 278 G N 0.391 108.549 108.800 -1.069 0.000 2.322 278 G HA2 0.318 4.279 3.960 0.000 0.000 0.295 278 G HA3 0.318 4.279 3.960 0.000 0.000 0.295 278 G C -2.237 172.218 174.900 -0.742 0.000 1.369 278 G CA -0.651 43.944 45.100 -0.841 0.000 0.821 278 G HN 0.630 nan 8.290 nan 0.000 0.536 279 Q N -0.308 119.349 119.800 -0.238 0.000 2.323 279 Q HA 0.668 5.008 4.340 0.000 0.000 0.271 279 Q C -1.233 174.814 176.000 0.079 0.000 1.048 279 Q CA -0.732 55.033 55.803 -0.063 0.000 0.792 279 Q CB 1.899 30.593 28.738 -0.073 0.000 1.280 279 Q HN 0.531 nan 8.270 nan 0.000 0.441 280 L N 3.047 124.344 121.223 0.124 0.000 2.309 280 L HA 0.577 4.917 4.340 0.000 0.000 0.282 280 L C -0.406 176.467 176.870 0.005 0.000 1.036 280 L CA -0.720 54.168 54.840 0.080 0.000 0.806 280 L CB 1.641 43.744 42.059 0.073 0.000 1.220 280 L HN 0.484 nan 8.230 nan 0.000 0.429 281 K N 2.143 122.538 120.400 -0.008 0.000 2.206 281 K HA 0.572 4.892 4.320 0.000 0.000 0.264 281 K C -1.348 175.224 176.600 -0.047 0.000 0.967 281 K CA -0.550 55.719 56.287 -0.030 0.000 0.844 281 K CB 1.673 34.163 32.500 -0.017 0.000 1.099 281 K HN 0.367 nan 8.250 nan 0.000 0.441 282 V N 6.695 126.563 119.914 -0.077 0.000 2.304 282 V HA 0.306 4.426 4.120 0.000 0.000 0.278 282 V C -2.312 173.755 176.094 -0.044 0.000 1.018 282 V CA -2.136 60.109 62.300 -0.091 0.000 0.814 282 V CB 0.808 32.493 31.823 -0.229 0.000 1.021 282 V HN 0.813 nan 8.190 nan 0.000 0.440 283 P HA 0.203 nan 4.420 nan 0.000 0.268 283 P C 0.912 178.222 177.300 0.015 0.000 1.205 283 P CA 0.756 63.858 63.100 0.003 0.000 0.771 283 P CB 0.709 32.416 31.700 0.011 0.000 0.858 284 G N 1.906 110.714 108.800 0.014 0.000 2.371 284 G HA2 -0.216 3.744 3.960 0.000 0.000 0.299 284 G HA3 -0.216 3.744 3.960 0.000 0.000 0.299 284 G C 0.223 175.136 174.900 0.022 0.000 1.014 284 G CA -0.040 45.072 45.100 0.020 0.000 1.097 284 G HN 0.613 nan 8.290 nan 0.000 0.512 285 V N 0.097 120.022 119.914 0.018 0.000 2.963 285 V HA 0.493 4.613 4.120 0.000 0.000 0.306 285 V C 0.917 177.013 176.094 0.003 0.000 1.077 285 V CA 0.592 62.913 62.300 0.035 0.000 1.124 285 V CB 1.420 33.239 31.823 -0.008 0.000 0.987 285 V HN 0.555 nan 8.190 nan 0.000 0.487 286 S N 7.109 122.785 115.700 -0.040 0.000 2.434 286 S HA 0.430 4.900 4.470 0.000 0.000 0.318 286 S C -0.450 174.105 174.600 -0.076 0.000 1.062 286 S CA -0.550 57.488 58.200 -0.269 0.000 1.116 286 S CB 0.538 63.098 63.200 -1.067 0.000 0.977 286 S HN 0.500 nan 8.310 nan 0.000 0.480 287 L N 2.482 123.673 121.223 -0.053 0.000 2.467 287 L HA 0.237 4.577 4.340 0.000 0.000 0.270 287 L C 0.159 176.935 176.870 -0.156 0.000 1.205 287 L CA -0.196 54.548 54.840 -0.160 0.000 0.828 287 L CB -0.123 41.652 42.059 -0.474 0.000 1.101 287 L HN 0.750 nan 8.230 nan 0.000 0.479 288 W N 3.039 124.169 121.300 -0.283 0.000 2.388 288 W HA 0.323 4.983 4.660 0.000 0.000 0.308 288 W C -1.052 175.234 176.519 -0.389 0.000 1.263 288 W CA -0.440 56.800 57.345 -0.176 0.000 1.286 288 W CB 0.386 29.796 29.460 -0.084 0.000 1.294 288 W HN 0.332 nan 8.180 nan 0.000 0.493 289 W N 8.428 129.503 121.300 -0.376 0.000 2.666 289 W HA 0.388 5.048 4.660 0.000 0.000 0.334 289 W C -1.835 174.243 176.519 -0.735 0.000 1.051 289 W CA -2.453 54.681 57.345 -0.350 0.000 1.224 289 W CB 0.981 30.323 29.460 -0.197 0.000 1.405 289 W HN 0.201 nan 8.180 nan 0.000 0.513 290 P HA -0.135 nan 4.420 nan 0.000 0.269 290 P C -0.593 176.709 177.300 0.002 0.000 1.209 290 P CA -0.022 62.977 63.100 -0.168 0.000 0.776 290 P CB 0.249 31.976 31.700 0.044 0.000 0.876 291 Y N 4.491 124.730 120.300 -0.101 0.000 2.944 291 Y HA -0.109 4.441 4.550 0.000 0.000 0.340 291 Y C 1.324 177.211 175.900 -0.022 0.000 1.275 291 Y CA 0.578 58.658 58.100 -0.033 0.000 1.590 291 Y CB -0.601 37.872 38.460 0.022 0.000 1.218 291 Y HN 0.388 nan 8.280 nan 0.000 0.576 292 L N 3.385 124.357 121.223 -0.418 0.000 5.081 292 L HA -0.379 3.961 4.340 0.000 0.000 0.423 292 L C 1.508 178.268 176.870 -0.182 0.000 1.019 292 L CA 1.117 55.694 54.840 -0.438 0.000 1.223 292 L CB -1.457 40.188 42.059 -0.690 0.000 1.940 292 L HN 0.740 nan 8.230 nan 0.000 0.675 293 M N -0.945 118.617 119.600 -0.064 0.000 2.510 293 M HA 0.114 4.594 4.480 0.000 0.000 0.256 293 M C 0.611 176.810 176.300 -0.169 0.000 1.132 293 M CA 0.999 56.282 55.300 -0.029 0.000 1.105 293 M CB 0.400 33.107 32.600 0.179 0.000 1.375 293 M HN 0.332 nan 8.290 nan 0.000 0.477 294 H N -0.550 118.375 119.070 -0.242 0.000 3.079 294 H HA 0.171 4.728 4.556 0.000 0.000 0.356 294 H C -0.484 174.757 175.328 -0.146 0.000 1.221 294 H CA -0.254 55.602 56.048 -0.319 0.000 1.185 294 H CB 1.356 30.814 29.762 -0.506 0.000 1.882 294 H HN 0.077 nan 8.280 nan 0.000 0.543 295 E N 1.824 121.871 120.200 -0.255 0.000 2.265 295 E HA -0.054 4.296 4.350 0.000 0.000 0.196 295 E C 0.063 176.749 176.600 0.143 0.000 0.996 295 E CA 0.717 57.086 56.400 -0.051 0.000 0.832 295 E CB 0.376 29.996 29.700 -0.133 0.000 0.756 295 E HN 0.225 nan 8.360 nan 0.000 0.491 296 R N 1.311 122.057 120.500 0.409 0.000 2.564 296 R HA 0.223 4.563 4.340 0.000 0.000 0.282 296 R C -2.470 173.931 176.300 0.169 0.000 1.573 296 R CA -1.398 54.855 56.100 0.255 0.000 1.588 296 R CB 1.296 31.735 30.300 0.231 0.000 1.154 296 R HN 0.066 nan 8.270 nan 0.000 0.606 297 P HA 0.111 nan 4.420 nan 0.000 0.276 297 P C 0.022 177.200 177.300 -0.204 0.000 1.261 297 P CA -0.038 63.044 63.100 -0.030 0.000 0.800 297 P CB 1.081 32.787 31.700 0.009 0.000 1.066 298 A N -1.008 121.443 122.820 -0.616 0.000 2.872 298 A HA -0.258 4.062 4.320 0.000 0.000 0.273 298 A C 0.072 177.509 177.584 -0.246 0.000 1.442 298 A CA 0.421 51.937 52.037 -0.869 0.000 0.801 298 A CB -3.034 15.749 19.000 -0.362 0.000 1.031 298 A HN 0.570 nan 8.150 nan 0.000 0.582 299 Y N -0.705 119.472 120.300 -0.205 0.000 2.632 299 Y HA 0.438 4.988 4.550 0.000 0.000 0.329 299 Y C 0.380 176.354 175.900 0.123 0.000 1.174 299 Y CA 0.815 58.885 58.100 -0.050 0.000 1.469 299 Y CB 0.222 38.636 38.460 -0.077 0.000 1.242 299 Y HN 0.394 nan 8.280 nan 0.000 0.540 300 L N 7.654 128.720 121.223 -0.261 0.000 2.333 300 L HA 0.367 4.707 4.340 0.000 0.000 0.280 300 L C -0.875 175.872 176.870 -0.206 0.000 1.004 300 L CA -0.800 54.032 54.840 -0.014 0.000 0.820 300 L CB 1.085 43.158 42.059 0.022 0.000 1.247 300 L HN 0.602 nan 8.230 nan 0.000 0.416 301 Y N 0.667 121.029 120.300 0.104 0.000 2.340 301 Y HA 0.444 4.994 4.550 0.000 0.000 0.327 301 Y C 0.791 176.710 175.900 0.032 0.000 1.321 301 Y CA -0.261 57.895 58.100 0.092 0.000 1.433 301 Y CB 1.540 40.083 38.460 0.139 0.000 1.373 301 Y HN 0.542 nan 8.280 nan 0.000 0.538 302 S N 0.969 116.787 115.700 0.198 0.000 2.532 302 S HA 0.514 4.984 4.470 0.000 0.000 0.299 302 S C -1.486 173.168 174.600 0.090 0.000 1.105 302 S CA -0.884 57.377 58.200 0.103 0.000 1.018 302 S CB 1.409 64.635 63.200 0.043 0.000 1.021 302 S HN 0.536 nan 8.310 nan 0.000 0.483 303 L N 2.609 123.868 121.223 0.060 0.000 2.270 303 L HA 0.465 4.805 4.340 0.000 0.000 0.286 303 L C 0.140 177.026 176.870 0.025 0.000 1.059 303 L CA -0.013 54.840 54.840 0.022 0.000 0.839 303 L CB 0.493 42.556 42.059 0.008 0.000 1.221 303 L HN 0.926 nan 8.230 nan 0.000 0.431 304 E N 3.899 124.111 120.200 0.020 0.000 2.152 304 E HA 0.341 4.691 4.350 0.000 0.000 0.285 304 E C -1.337 175.272 176.600 0.015 0.000 1.043 304 E CA -0.489 55.941 56.400 0.050 0.000 0.839 304 E CB 0.917 30.665 29.700 0.080 0.000 1.069 304 E HN 0.447 nan 8.360 nan 0.000 0.399 305 V N 5.319 125.252 119.914 0.032 0.000 2.398 305 V HA 0.225 4.346 4.120 0.000 0.000 0.286 305 V C -0.244 175.775 176.094 -0.125 0.000 1.026 305 V CA -0.592 61.684 62.300 -0.040 0.000 0.868 305 V CB 1.422 33.243 31.823 -0.003 0.000 0.982 305 V HN 0.700 nan 8.190 nan 0.000 0.443 306 Q N 4.082 123.742 119.800 -0.233 0.000 2.339 306 Q HA 0.564 4.904 4.340 0.000 0.000 0.268 306 Q C -1.530 174.277 176.000 -0.321 0.000 1.027 306 Q CA -0.738 54.759 55.803 -0.510 0.000 0.759 306 Q CB 1.888 30.302 28.738 -0.541 0.000 1.244 306 Q HN 0.720 nan 8.270 nan 0.000 0.464 307 L N 3.488 124.524 121.223 -0.311 0.000 2.289 307 L HA 0.542 4.882 4.340 0.000 0.000 0.285 307 L C -1.022 175.766 176.870 -0.137 0.000 1.049 307 L CA 0.406 55.145 54.840 -0.167 0.000 0.804 307 L CB 1.903 43.861 42.059 -0.168 0.000 1.195 307 L HN 0.560 nan 8.230 nan 0.000 0.428 308 T N 5.203 119.735 114.554 -0.036 0.000 2.791 308 T HA 0.822 5.172 4.350 0.000 0.000 0.288 308 T C -0.454 174.291 174.700 0.075 0.000 0.999 308 T CA -0.322 61.781 62.100 0.004 0.000 0.952 308 T CB 1.221 70.094 68.868 0.009 0.000 0.938 308 T HN 0.815 nan 8.240 nan 0.000 0.444 309 A N 3.066 125.923 122.820 0.062 0.000 2.413 309 A HA 0.808 5.128 4.320 0.000 0.000 0.307 309 A C -0.975 176.654 177.584 0.075 0.000 1.087 309 A CA -0.915 51.185 52.037 0.105 0.000 0.750 309 A CB 1.365 20.397 19.000 0.053 0.000 1.296 309 A HN 0.538 nan 8.150 nan 0.000 0.423 310 Q N 1.166 121.016 119.800 0.084 0.000 2.347 310 Q HA 0.536 4.876 4.340 0.000 0.000 0.262 310 Q C 0.215 176.245 176.000 0.050 0.000 0.980 310 Q CA -0.053 55.783 55.803 0.054 0.000 0.867 310 Q CB 1.540 30.303 28.738 0.042 0.000 1.242 310 Q HN 0.891 nan 8.270 nan 0.000 0.453 311 T N -2.276 112.302 114.554 0.039 0.000 2.938 311 T HA 0.438 4.789 4.350 0.000 0.000 0.285 311 T C 0.846 175.563 174.700 0.028 0.000 1.028 311 T CA -0.628 61.492 62.100 0.034 0.000 1.005 311 T CB 1.318 70.206 68.868 0.032 0.000 1.157 311 T HN 0.245 nan 8.240 nan 0.000 0.550 312 S N -0.193 115.522 115.700 0.025 0.000 2.474 312 S HA 0.119 4.590 4.470 0.000 0.000 0.235 312 S C 1.380 175.993 174.600 0.021 0.000 0.997 312 S CA 0.554 58.767 58.200 0.021 0.000 0.949 312 S CB -0.570 62.642 63.200 0.019 0.000 0.766 312 S HN 0.572 nan 8.310 nan 0.000 0.517 313 L N 0.900 122.137 121.223 0.023 0.000 2.818 313 L HA 0.372 4.712 4.340 0.000 0.000 0.243 313 L C 0.983 177.867 176.870 0.024 0.000 1.185 313 L CA -0.240 54.614 54.840 0.022 0.000 0.988 313 L CB -0.271 41.801 42.059 0.022 0.000 1.292 313 L HN 0.372 nan 8.230 nan 0.000 0.519 314 G N 0.788 109.603 108.800 0.025 0.000 2.422 314 G HA2 -0.120 3.841 3.960 0.000 0.000 0.607 314 G HA3 -0.120 3.841 3.960 0.000 0.000 0.607 314 G C -3.117 171.801 174.900 0.030 0.000 1.270 314 G CA -1.034 44.082 45.100 0.026 0.000 0.992 314 G HN -0.084 nan 8.290 nan 0.000 0.499 315 P HA 0.546 nan 4.420 nan 0.000 0.277 315 P C -0.020 177.303 177.300 0.038 0.000 1.240 315 P CA 0.149 63.271 63.100 0.036 0.000 0.798 315 P CB 1.554 33.274 31.700 0.034 0.000 0.979 316 V N -1.565 118.373 119.914 0.039 0.000 3.114 316 V HA 0.713 4.833 4.120 0.000 0.000 0.308 316 V C -0.557 175.559 176.094 0.037 0.000 1.168 316 V CA -0.831 61.495 62.300 0.043 0.000 1.015 316 V CB 1.869 33.717 31.823 0.041 0.000 1.050 316 V HN 0.455 nan 8.190 nan 0.000 0.433 317 S N 1.386 117.120 115.700 0.056 0.000 2.501 317 S HA 0.729 5.199 4.470 0.000 0.000 0.301 317 S C -1.151 173.482 174.600 0.054 0.000 1.096 317 S CA -0.308 57.914 58.200 0.036 0.000 1.063 317 S CB 1.479 64.760 63.200 0.136 0.000 1.042 317 S HN 1.041 nan 8.310 nan 0.000 0.494 318 D N 0.839 121.204 120.400 -0.059 0.000 2.787 318 D HA 0.560 5.200 4.640 0.000 0.000 0.246 318 D C -1.693 174.526 176.300 -0.134 0.000 1.150 318 D CA -0.374 53.634 54.000 0.013 0.000 0.864 318 D CB 0.773 41.586 40.800 0.021 0.000 1.481 318 D HN 0.238 nan 8.370 nan 0.000 0.509 319 F N 2.969 122.954 119.950 0.058 0.000 2.493 319 F HA 0.442 4.969 4.527 0.000 0.000 0.329 319 F C -0.874 174.986 175.800 0.099 0.000 1.126 319 F CA -0.837 57.196 58.000 0.054 0.000 0.937 319 F CB 1.539 40.548 39.000 0.016 0.000 1.146 319 F HN 0.226 nan 8.300 nan 0.000 0.442 320 Y N 1.510 121.880 120.300 0.117 0.000 2.442 320 Y HA 0.594 5.144 4.550 0.000 0.000 0.344 320 Y C -0.791 175.145 175.900 0.061 0.000 0.976 320 Y CA -0.654 57.488 58.100 0.070 0.000 1.040 320 Y CB 2.012 40.487 38.460 0.024 0.000 1.228 320 Y HN 0.509 nan 8.280 nan 0.000 0.451 321 T N 7.234 121.578 114.554 -0.350 0.000 2.786 321 T HA 0.444 4.795 4.350 0.000 0.000 0.283 321 T C -1.644 172.948 174.700 -0.180 0.000 0.992 321 T CA -0.460 61.553 62.100 -0.146 0.000 0.954 321 T CB 0.949 69.752 68.868 -0.109 0.000 0.934 321 T HN 0.502 nan 8.240 nan 0.000 0.440 322 L N 6.371 127.627 121.223 0.056 0.000 2.305 322 L HA 0.573 4.914 4.340 0.000 0.000 0.284 322 L C -2.638 174.267 176.870 0.059 0.000 1.013 322 L CA -2.237 52.673 54.840 0.116 0.000 0.819 322 L CB 1.190 43.367 42.059 0.198 0.000 1.227 322 L HN 0.302 nan 8.230 nan 0.000 0.417 323 P HA 0.179 nan 4.420 nan 0.000 0.268 323 P C -1.323 176.006 177.300 0.048 0.000 1.205 323 P CA -0.041 63.088 63.100 0.049 0.000 0.771 323 P CB 0.854 32.583 31.700 0.049 0.000 0.858 324 V N 2.982 122.949 119.914 0.088 0.000 2.577 324 V HA 0.649 4.770 4.120 0.000 0.000 0.303 324 V C 0.422 176.605 176.094 0.149 0.000 1.042 324 V CA -0.520 61.826 62.300 0.077 0.000 0.872 324 V CB 2.109 33.982 31.823 0.085 0.000 0.998 324 V HN 0.696 nan 8.190 nan 0.000 0.423 325 G N 4.445 113.260 108.800 0.025 0.000 2.422 325 G HA2 0.689 4.649 3.960 0.000 0.000 0.317 325 G HA3 0.689 4.649 3.960 0.000 0.000 0.317 325 G C -0.707 174.203 174.900 0.015 0.000 1.210 325 G CA -0.535 44.613 45.100 0.080 0.000 0.930 325 G HN 0.656 nan 8.290 nan 0.000 0.468 326 I N 2.670 123.326 120.570 0.144 0.000 2.308 326 I HA 0.422 4.592 4.170 0.000 0.000 0.293 326 I C 0.333 176.422 176.117 -0.046 0.000 1.078 326 I CA -0.387 60.920 61.300 0.012 0.000 1.292 326 I CB 0.522 38.518 38.000 -0.007 0.000 1.423 326 I HN 0.668 nan 8.210 nan 0.000 0.493 327 R N 3.435 123.865 120.500 -0.117 0.000 2.664 327 R HA 0.665 5.005 4.340 0.000 0.000 0.266 327 R C -1.151 175.047 176.300 -0.171 0.000 1.046 327 R CA -0.865 55.133 56.100 -0.170 0.000 0.885 327 R CB 0.957 31.183 30.300 -0.123 0.000 1.254 327 R HN 0.403 nan 8.270 nan 0.000 0.465 328 T N -1.227 113.223 114.554 -0.173 0.000 2.924 328 T HA 0.806 5.156 4.350 0.000 0.000 0.291 328 T C -0.766 173.840 174.700 -0.156 0.000 1.045 328 T CA -0.875 61.137 62.100 -0.147 0.000 1.015 328 T CB 1.862 70.659 68.868 -0.119 0.000 1.103 328 T HN 0.404 nan 8.240 nan 0.000 0.496 329 V N 0.884 120.699 119.914 -0.165 0.000 2.638 329 V HA 0.880 5.000 4.120 0.000 0.000 0.306 329 V C -0.139 175.805 176.094 -0.250 0.000 1.052 329 V CA -0.661 61.504 62.300 -0.224 0.000 0.885 329 V CB 1.196 32.890 31.823 -0.216 0.000 0.999 329 V HN 1.457 nan 8.190 nan 0.000 0.424 330 A N 3.571 126.195 122.820 -0.326 0.000 2.587 330 A HA 0.933 5.253 4.320 0.000 0.000 0.293 330 A C -1.657 175.717 177.584 -0.351 0.000 1.087 330 A CA -0.674 51.206 52.037 -0.262 0.000 0.692 330 A CB 2.293 21.211 19.000 -0.136 0.000 1.291 330 A HN 1.031 nan 8.150 nan 0.000 0.407 331 V N 1.177 120.961 119.914 -0.217 0.000 2.656 331 V HA 0.794 4.915 4.120 0.000 0.000 0.307 331 V C 0.330 176.416 176.094 -0.013 0.000 1.051 331 V CA 0.554 62.775 62.300 -0.131 0.000 0.893 331 V CB 2.073 33.845 31.823 -0.085 0.000 0.999 331 V HN 1.609 nan 8.190 nan 0.000 0.426 332 T N 2.766 117.348 114.554 0.047 0.000 2.819 332 T HA 0.450 4.800 4.350 0.000 0.000 0.271 332 T C 0.863 175.634 174.700 0.120 0.000 0.986 332 T CA -0.402 61.743 62.100 0.075 0.000 0.989 332 T CB 1.141 70.057 68.868 0.080 0.000 1.396 332 T HN 0.572 nan 8.240 nan 0.000 0.597 333 K N 0.365 120.845 120.400 0.133 0.000 2.365 333 K HA 0.043 4.363 4.320 0.000 0.000 0.199 333 K C 1.697 178.478 176.600 0.303 0.000 1.045 333 K CA 1.197 57.592 56.287 0.181 0.000 0.962 333 K CB -0.005 32.581 32.500 0.144 0.000 0.759 333 K HN 0.677 nan 8.250 nan 0.000 0.469 334 S N -1.158 114.691 115.700 0.250 0.000 2.744 334 S HA 0.143 4.613 4.470 0.000 0.000 0.265 334 S C 0.122 174.847 174.600 0.208 0.000 1.065 334 S CA -0.684 57.667 58.200 0.252 0.000 1.191 334 S CB 0.598 63.922 63.200 0.205 0.000 1.150 334 S HN 0.032 nan 8.310 nan 0.000 0.646 335 Q N 0.253 120.174 119.800 0.201 0.000 2.389 335 Q HA 0.539 4.879 4.340 0.000 0.000 0.277 335 Q C -2.167 173.991 176.000 0.264 0.000 1.082 335 Q CA -0.654 55.278 55.803 0.216 0.000 0.810 335 Q CB 2.340 31.175 28.738 0.161 0.000 1.374 335 Q HN 0.375 nan 8.270 nan 0.000 0.422 336 F N 2.665 122.728 119.950 0.188 0.000 2.388 336 F HA 0.446 4.973 4.527 0.000 0.000 0.358 336 F C -1.276 174.643 175.800 0.198 0.000 1.122 336 F CA -0.587 57.541 58.000 0.214 0.000 1.056 336 F CB 0.602 39.806 39.000 0.338 0.000 1.155 336 F HN 0.324 nan 8.300 nan 0.000 0.461 337 L N 7.714 128.942 121.223 0.008 0.000 2.287 337 L HA 0.512 4.852 4.340 0.000 0.000 0.287 337 L C -0.580 176.294 176.870 0.007 0.000 1.022 337 L CA -0.603 54.281 54.840 0.074 0.000 0.814 337 L CB 1.547 43.613 42.059 0.011 0.000 1.217 337 L HN 0.498 nan 8.230 nan 0.000 0.420 338 I N 4.083 124.718 120.570 0.109 0.000 2.378 338 I HA 0.283 4.453 4.170 0.000 0.000 0.291 338 I C -0.043 176.080 176.117 0.010 0.000 0.992 338 I CA -0.619 60.678 61.300 -0.006 0.000 1.154 338 I CB 1.475 39.416 38.000 -0.098 0.000 1.315 338 I HN 0.672 nan 8.210 nan 0.000 0.448 339 N N 4.837 123.465 118.700 -0.121 0.000 2.708 339 N HA -0.206 4.534 4.740 0.000 0.000 0.249 339 N C 0.932 176.462 175.510 0.033 0.000 1.097 339 N CA 1.303 54.259 53.050 -0.156 0.000 0.710 339 N CB -1.146 37.002 38.487 -0.564 0.000 1.032 339 N HN 1.172 nan 8.380 nan 0.000 0.551 340 G N -1.476 107.345 108.800 0.037 0.000 2.184 340 G HA2 -0.364 3.596 3.960 0.000 0.000 0.264 340 G HA3 -0.364 3.596 3.960 0.000 0.000 0.264 340 G C -0.012 174.960 174.900 0.121 0.000 0.975 340 G CA 0.973 46.113 45.100 0.067 0.000 0.642 340 G HN 0.539 nan 8.290 nan 0.000 0.536 341 K N 0.917 121.430 120.400 0.188 0.000 2.221 341 K HA 0.492 4.812 4.320 0.000 0.000 0.258 341 K C -2.693 174.046 176.600 0.231 0.000 0.944 341 K CA -2.240 54.178 56.287 0.218 0.000 0.823 341 K CB 2.129 34.813 32.500 0.307 0.000 1.113 341 K HN -0.083 nan 8.250 nan 0.000 0.431 342 P HA -0.057 nan 4.420 nan 0.000 0.264 342 P C -1.094 176.383 177.300 0.295 0.000 1.193 342 P CA 0.194 63.426 63.100 0.221 0.000 0.763 342 P CB 0.216 32.002 31.700 0.144 0.000 0.810 343 F N 4.566 124.620 119.950 0.174 0.000 2.522 343 F HA 0.575 5.102 4.527 0.000 0.000 0.324 343 F C -1.304 174.559 175.800 0.107 0.000 1.077 343 F CA -1.154 56.907 58.000 0.103 0.000 0.944 343 F CB 1.331 40.377 39.000 0.076 0.000 1.175 343 F HN 0.223 nan 8.300 nan 0.000 0.468 344 Y N 5.566 125.264 120.300 -1.003 0.000 2.338 344 Y HA 0.479 5.029 4.550 0.000 0.000 0.333 344 Y C -1.457 173.729 175.900 -1.190 0.000 0.968 344 Y CA -1.146 56.520 58.100 -0.724 0.000 1.123 344 Y CB 0.881 39.137 38.460 -0.339 0.000 1.165 344 Y HN 0.492 nan 8.280 nan 0.000 0.452 345 F N 5.675 124.886 119.950 -1.232 0.000 2.502 345 F HA 0.168 4.695 4.527 0.000 0.000 0.371 345 F C 0.016 175.308 175.800 -0.846 0.000 1.083 345 F CA 0.157 57.615 58.000 -0.902 0.000 1.174 345 F CB 0.223 38.880 39.000 -0.572 0.000 1.096 345 F HN 0.552 nan 8.300 nan 0.000 0.545 346 H N 1.166 119.942 119.070 -0.491 0.000 2.791 346 H HA 0.749 5.305 4.556 0.000 0.000 0.272 346 H C -0.169 174.701 175.328 -0.763 0.000 1.188 346 H CA -0.918 54.695 56.048 -0.725 0.000 1.436 346 H CB 0.677 29.892 29.762 -0.911 0.000 1.467 346 H HN 0.637 nan 8.280 nan 0.000 0.500 347 G N 0.804 109.488 108.800 -0.193 0.000 2.947 347 G HA2 0.631 4.591 3.960 0.000 0.000 0.293 347 G HA3 0.631 4.591 3.960 0.000 0.000 0.293 347 G C -1.072 174.006 174.900 0.296 0.000 1.243 347 G CA -0.427 44.739 45.100 0.110 0.000 0.802 347 G HN 0.901 nan 8.290 nan 0.000 0.560 348 V N -2.557 117.500 119.914 0.240 0.000 3.159 348 V HA 0.690 4.810 4.120 0.000 0.000 0.308 348 V C -1.036 175.112 176.094 0.089 0.000 1.190 348 V CA -1.387 61.023 62.300 0.184 0.000 1.037 348 V CB 1.875 33.836 31.823 0.230 0.000 1.060 348 V HN 0.655 nan 8.190 nan 0.000 0.437 349 N N 1.420 120.107 118.700 -0.023 0.000 2.492 349 N HA 0.557 5.297 4.740 0.000 0.000 0.289 349 N C -0.755 174.522 175.510 -0.388 0.000 1.133 349 N CA -0.596 52.341 53.050 -0.189 0.000 0.961 349 N CB 2.108 40.482 38.487 -0.189 0.000 1.186 349 N HN 0.684 nan 8.380 nan 0.000 0.493 350 K N 0.168 120.278 120.400 -0.484 0.000 2.197 350 K HA 0.526 4.846 4.320 0.000 0.000 0.247 350 K C -0.950 175.243 176.600 -0.677 0.000 1.077 350 K CA -0.703 55.273 56.287 -0.518 0.000 0.882 350 K CB 1.715 33.849 32.500 -0.610 0.000 1.396 350 K HN 0.449 nan 8.250 nan 0.000 0.482 351 H N 0.627 119.386 119.070 -0.520 0.000 3.042 351 H HA 0.140 4.696 4.556 0.000 0.000 0.346 351 H C -1.238 173.764 175.328 -0.543 0.000 1.294 351 H CA -0.537 55.190 56.048 -0.536 0.000 1.141 351 H CB 2.028 31.438 29.762 -0.586 0.000 1.872 351 H HN 0.521 nan 8.280 nan 0.000 0.541 352 E N 2.096 122.126 120.200 -0.285 0.000 1.941 352 E HA 0.146 4.496 4.350 0.000 0.000 0.275 352 E C -0.663 175.866 176.600 -0.118 0.000 1.113 352 E CA 0.021 56.251 56.400 -0.283 0.000 0.878 352 E CB 0.589 30.151 29.700 -0.230 0.000 1.070 352 E HN 0.298 nan 8.360 nan 0.000 0.399 353 D N 2.245 122.574 120.400 -0.119 0.000 2.871 353 D HA 0.458 5.098 4.640 0.000 0.000 0.209 353 D C -1.774 174.493 176.300 -0.055 0.000 1.292 353 D CA -0.386 53.589 54.000 -0.042 0.000 0.869 353 D CB 1.658 42.526 40.800 0.114 0.000 1.663 353 D HN 0.388 nan 8.370 nan 0.000 0.557 354 A N 2.980 125.745 122.820 -0.092 0.000 2.610 354 A HA 0.476 4.796 4.320 0.000 0.000 0.291 354 A C -1.178 176.359 177.584 -0.079 0.000 1.086 354 A CA -0.774 51.216 52.037 -0.078 0.000 0.677 354 A CB 1.330 20.261 19.000 -0.115 0.000 1.278 354 A HN 0.445 nan 8.150 nan 0.000 0.414 355 D N 1.127 121.497 120.400 -0.050 0.000 2.488 355 D HA 0.303 4.943 4.640 0.000 0.000 0.238 355 D C 1.384 177.650 176.300 -0.057 0.000 1.138 355 D CA 0.738 54.715 54.000 -0.038 0.000 0.873 355 D CB 0.499 41.283 40.800 -0.027 0.000 1.183 355 D HN 0.515 nan 8.370 nan 0.000 0.458 356 I N 0.847 121.390 120.570 -0.045 0.000 4.407 356 I HA -0.439 3.731 4.170 0.000 0.000 0.066 356 I C 1.904 177.976 176.117 -0.073 0.000 0.591 356 I CA 1.867 63.143 61.300 -0.040 0.000 1.050 356 I CB -1.472 36.511 38.000 -0.027 0.000 0.939 356 I HN 0.629 nan 8.210 nan 0.000 0.169 357 R N 2.674 123.105 120.500 -0.114 0.000 2.299 357 R HA 0.320 4.660 4.340 0.000 0.000 0.197 357 R C 1.505 177.636 176.300 -0.281 0.000 0.971 357 R CA 1.250 57.263 56.100 -0.144 0.000 1.030 357 R CB -0.007 30.218 30.300 -0.124 0.000 0.932 357 R HN 0.699 nan 8.270 nan 0.000 0.477 358 G N 2.484 111.021 108.800 -0.439 0.000 2.634 358 G HA2 -0.420 3.540 3.960 0.000 0.000 0.318 358 G HA3 -0.420 3.540 3.960 0.000 0.000 0.318 358 G C 0.367 174.888 174.900 -0.632 0.000 1.207 358 G CA 0.740 45.229 45.100 -1.018 0.000 0.987 358 G HN 0.400 nan 8.290 nan 0.000 0.547 359 K N 1.951 122.034 120.400 -0.528 0.000 2.417 359 K HA 0.347 4.667 4.320 0.000 0.000 0.196 359 K C 1.351 177.861 176.600 -0.149 0.000 1.023 359 K CA 0.344 56.498 56.287 -0.223 0.000 1.122 359 K CB 0.414 32.867 32.500 -0.078 0.000 0.850 359 K HN 0.657 nan 8.250 nan 0.000 0.521 360 G N 1.530 110.229 108.800 -0.168 0.000 2.380 360 G HA2 -0.005 3.955 3.960 0.000 0.000 0.242 360 G HA3 -0.005 3.955 3.960 0.000 0.000 0.242 360 G C -0.595 174.252 174.900 -0.088 0.000 1.298 360 G CA -0.389 44.655 45.100 -0.093 0.000 0.878 360 G HN 0.188 nan 8.290 nan 0.000 0.542 361 F N 1.578 121.427 119.950 -0.167 0.000 2.529 361 F HA 0.388 4.915 4.527 0.000 0.000 0.365 361 F C 0.157 175.815 175.800 -0.236 0.000 1.102 361 F CA -0.089 57.775 58.000 -0.226 0.000 1.271 361 F CB 1.219 40.065 39.000 -0.258 0.000 1.120 361 F HN 0.446 nan 8.300 nan 0.000 0.579 362 D N 4.503 124.122 120.400 -1.303 0.000 2.966 362 D HA 0.166 4.807 4.640 0.000 0.000 0.222 362 D C -0.280 175.435 176.300 -0.974 0.000 1.292 362 D CA -0.529 52.967 54.000 -0.840 0.000 0.907 362 D CB 0.608 41.167 40.800 -0.401 0.000 1.621 362 D HN 0.550 nan 8.370 nan 0.000 0.557 363 W N 2.837 123.856 121.300 -0.468 0.000 2.378 363 W HA 0.052 4.712 4.660 0.000 0.000 0.313 363 W C -0.852 175.559 176.519 -0.180 0.000 1.197 363 W CA 0.925 58.121 57.345 -0.248 0.000 1.304 363 W CB -1.135 28.309 29.460 -0.027 0.000 1.148 363 W HN 0.499 nan 8.180 nan 0.000 0.494 364 P HA -0.214 nan 4.420 nan 0.000 0.215 364 P C 1.552 178.829 177.300 -0.039 0.000 1.157 364 P CA 1.750 64.869 63.100 0.030 0.000 0.874 364 P CB -0.262 31.445 31.700 0.012 0.000 0.790 365 L N -1.833 119.320 121.223 -0.116 0.000 2.131 365 L HA -0.162 4.178 4.340 0.000 0.000 0.210 365 L C 2.361 179.141 176.870 -0.151 0.000 1.092 365 L CA 0.823 55.576 54.840 -0.146 0.000 0.759 365 L CB -0.872 41.072 42.059 -0.191 0.000 0.903 365 L HN -0.002 nan 8.230 nan 0.000 0.435 366 L N -0.615 120.496 121.223 -0.186 0.000 1.994 366 L HA -0.170 4.170 4.340 0.000 0.000 0.208 366 L C 2.373 179.282 176.870 0.065 0.000 1.071 366 L CA 1.766 56.552 54.840 -0.089 0.000 0.745 366 L CB -0.397 41.571 42.059 -0.151 0.000 0.892 366 L HN -0.070 nan 8.230 nan 0.000 0.431 367 V N -0.251 119.701 119.914 0.064 0.000 2.427 367 V HA -0.253 3.867 4.120 0.000 0.000 0.248 367 V C 2.636 178.769 176.094 0.065 0.000 1.051 367 V CA 1.843 64.191 62.300 0.080 0.000 1.048 367 V CB -0.783 31.099 31.823 0.099 0.000 0.666 367 V HN 0.463 nan 8.190 nan 0.000 0.456 368 K N 0.992 121.398 120.400 0.010 0.000 2.032 368 K HA -0.206 4.114 4.320 0.000 0.000 0.209 368 K C 1.720 178.287 176.600 -0.054 0.000 1.048 368 K CA 2.029 58.297 56.287 -0.033 0.000 0.927 368 K CB -0.729 31.728 32.500 -0.072 0.000 0.712 368 K HN 0.424 nan 8.250 nan 0.000 0.441 369 D N -0.491 119.855 120.400 -0.091 0.000 2.123 369 D HA -0.144 4.496 4.640 0.000 0.000 0.196 369 D C 1.767 177.895 176.300 -0.286 0.000 0.992 369 D CA 1.228 55.094 54.000 -0.224 0.000 0.833 369 D CB -0.280 40.229 40.800 -0.485 0.000 0.954 369 D HN 0.219 nan 8.370 nan 0.000 0.455 370 F N 0.924 120.740 119.950 -0.224 0.000 2.186 370 F HA -0.093 4.434 4.527 0.000 0.000 0.299 370 F C 2.232 178.015 175.800 -0.028 0.000 1.090 370 F CA 0.669 58.542 58.000 -0.212 0.000 1.307 370 F CB -0.260 38.422 39.000 -0.530 0.000 1.019 370 F HN -0.084 nan 8.300 nan 0.000 0.489 371 N N 0.452 119.254 118.700 0.171 0.000 2.149 371 N HA -0.154 4.586 4.740 0.000 0.000 0.188 371 N C 1.952 177.573 175.510 0.185 0.000 1.019 371 N CA 1.181 54.341 53.050 0.183 0.000 0.857 371 N CB -0.541 38.018 38.487 0.121 0.000 0.997 371 N HN 0.296 nan 8.380 nan 0.000 0.426 372 L N 0.376 121.651 121.223 0.087 0.000 2.109 372 L HA -0.015 4.326 4.340 0.000 0.000 0.207 372 L C 2.223 179.334 176.870 0.403 0.000 1.086 372 L CA 0.417 55.335 54.840 0.129 0.000 0.760 372 L CB -0.320 41.584 42.059 -0.259 0.000 0.910 372 L HN 0.102 nan 8.230 nan 0.000 0.437 373 L N -0.476 120.898 121.223 0.252 0.000 2.012 373 L HA -0.254 4.086 4.340 0.000 0.000 0.210 373 L C 2.854 179.932 176.870 0.347 0.000 1.073 373 L CA 1.503 56.499 54.840 0.259 0.000 0.748 373 L CB -0.473 41.564 42.059 -0.037 0.000 0.891 373 L HN 0.218 nan 8.230 nan 0.000 0.431 374 R N -1.222 119.440 120.500 0.270 0.000 2.081 374 R HA -0.227 4.113 4.340 0.000 0.000 0.235 374 R C 2.098 178.776 176.300 0.629 0.000 1.131 374 R CA 1.937 58.192 56.100 0.259 0.000 0.960 374 R CB -0.512 29.840 30.300 0.088 0.000 0.856 374 R HN 0.420 nan 8.270 nan 0.000 0.436 375 W N 1.232 122.767 121.300 0.392 0.000 2.338 375 W HA -0.212 4.448 4.660 0.000 0.000 0.304 375 W C 1.703 178.570 176.519 0.579 0.000 1.212 375 W CA 1.092 58.698 57.345 0.436 0.000 1.264 375 W CB -0.314 29.305 29.460 0.265 0.000 1.142 375 W HN 0.048 nan 8.180 nan 0.000 0.512 376 L N 1.558 123.168 121.223 0.645 0.000 2.275 376 L HA 0.168 4.508 4.340 0.000 0.000 0.215 376 L C 1.977 179.054 176.870 0.344 0.000 1.119 376 L CA 2.141 57.213 54.840 0.386 0.000 0.790 376 L CB -0.973 41.422 42.059 0.561 0.000 0.919 376 L HN 0.356 nan 8.230 nan 0.000 0.443 377 G N -1.367 107.618 108.800 0.309 0.000 2.147 377 G HA2 -0.229 3.731 3.960 0.000 0.000 0.244 377 G HA3 -0.229 3.731 3.960 0.000 0.000 0.244 377 G C 0.474 175.483 174.900 0.181 0.000 1.005 377 G CA 0.268 45.196 45.100 -0.286 0.000 0.713 377 G HN 0.907 nan 8.290 nan 0.000 0.515 378 A N 0.221 123.295 122.820 0.424 0.000 2.450 378 A HA 0.588 4.908 4.320 0.000 0.000 0.255 378 A C 1.105 178.840 177.584 0.252 0.000 1.096 378 A CA 0.585 52.836 52.037 0.357 0.000 0.778 378 A CB 0.257 19.501 19.000 0.406 0.000 1.031 378 A HN 1.070 nan 8.150 nan 0.000 0.494 379 N N 0.788 119.467 118.700 -0.035 0.000 2.187 379 N HA 0.451 5.191 4.740 0.000 0.000 0.212 379 N C -0.342 175.188 175.510 0.034 0.000 1.152 379 N CA 0.525 53.571 53.050 -0.007 0.000 0.872 379 N CB 0.589 38.885 38.487 -0.319 0.000 1.025 379 N HN 0.871 nan 8.380 nan 0.000 0.514 380 A N -0.178 122.674 122.820 0.054 0.000 2.594 380 A HA 0.641 4.961 4.320 0.000 0.000 0.296 380 A C -1.864 175.807 177.584 0.145 0.000 1.056 380 A CA -1.007 51.066 52.037 0.060 0.000 0.693 380 A CB 0.590 19.687 19.000 0.162 0.000 1.278 380 A HN 0.311 nan 8.150 nan 0.000 0.408 381 F N -0.634 119.309 119.950 -0.011 0.000 2.645 381 F HA 0.872 5.399 4.527 0.000 0.000 0.310 381 F C -0.599 175.123 175.800 -0.129 0.000 1.102 381 F CA -0.941 57.010 58.000 -0.082 0.000 0.952 381 F CB 1.489 40.392 39.000 -0.162 0.000 1.326 381 F HN 0.747 nan 8.300 nan 0.000 0.456 382 R N 0.670 121.216 120.500 0.077 0.000 2.368 382 R HA 0.445 4.785 4.340 0.000 0.000 0.302 382 R C -0.214 176.009 176.300 -0.129 0.000 1.002 382 R CA -0.166 55.886 56.100 -0.080 0.000 0.929 382 R CB 1.495 31.748 30.300 -0.078 0.000 1.073 382 R HN 0.964 nan 8.270 nan 0.000 0.464 383 T N 1.140 115.463 114.554 -0.385 0.000 4.309 383 T HA 0.077 4.427 4.350 0.000 0.000 0.242 383 T C 0.004 174.251 174.700 -0.756 0.000 1.142 383 T CA -0.572 60.949 62.100 -0.965 0.000 1.042 383 T CB -0.692 67.456 68.868 -1.200 0.000 1.366 383 T HN 0.528 nan 8.240 nan 0.000 0.942 384 S N 2.095 117.428 115.700 -0.611 0.000 2.537 384 S HA 0.104 4.574 4.470 0.000 0.000 0.286 384 S C -0.070 173.726 174.600 -1.339 0.000 1.299 384 S CA -0.689 56.984 58.200 -0.878 0.000 1.067 384 S CB 0.055 62.680 63.200 -0.959 0.000 0.864 384 S HN 0.679 nan 8.310 nan 0.000 0.494 385 H N 3.330 121.733 119.070 -1.112 0.000 2.429 385 H HA 0.344 4.900 4.556 0.000 0.000 0.237 385 H C -1.070 174.015 175.328 -0.404 0.000 1.378 385 H CA -0.327 55.450 56.048 -0.451 0.000 1.170 385 H CB -0.368 29.427 29.762 0.055 0.000 1.671 385 H HN 0.876 nan 8.280 nan 0.000 0.541 386 Y N -3.031 117.163 120.300 -0.176 0.000 2.717 386 Y HA 0.365 4.915 4.550 0.000 0.000 0.345 386 Y C -3.356 172.454 175.900 -0.151 0.000 1.187 386 Y CA -2.958 54.977 58.100 -0.274 0.000 1.128 386 Y CB 0.098 38.017 38.460 -0.901 0.000 1.360 386 Y HN -0.109 nan 8.280 nan 0.000 0.467 387 P HA 0.114 nan 4.420 nan 0.000 0.268 387 P C -0.846 176.682 177.300 0.379 0.000 1.205 387 P CA 0.455 63.636 63.100 0.135 0.000 0.771 387 P CB 0.393 32.200 31.700 0.179 0.000 0.858 388 Y N 0.530 120.896 120.300 0.109 0.000 2.408 388 Y HA 0.483 5.033 4.550 0.000 0.000 0.324 388 Y C 1.216 177.172 175.900 0.092 0.000 1.302 388 Y CA -2.325 55.851 58.100 0.126 0.000 1.384 388 Y CB -0.327 38.179 38.460 0.077 0.000 1.367 388 Y HN 0.383 nan 8.280 nan 0.000 0.525 389 A N 0.947 123.908 122.820 0.235 0.000 2.587 389 A HA -0.023 4.298 4.320 0.000 0.000 0.233 389 A C 1.207 178.790 177.584 -0.002 0.000 1.049 389 A CA -0.054 52.023 52.037 0.066 0.000 0.754 389 A CB -0.142 18.851 19.000 -0.013 0.000 0.977 389 A HN 0.868 nan 8.150 nan 0.000 0.509 390 E N 1.341 121.489 120.200 -0.086 0.000 2.130 390 E HA -0.221 4.129 4.350 0.000 0.000 0.196 390 E C 1.588 177.995 176.600 -0.321 0.000 0.998 390 E CA 2.109 58.394 56.400 -0.191 0.000 0.806 390 E CB -0.155 29.364 29.700 -0.302 0.000 0.738 390 E HN 0.849 nan 8.360 nan 0.000 0.459 391 E N -0.060 119.919 120.200 -0.369 0.000 2.118 391 E HA -0.169 4.181 4.350 0.000 0.000 0.195 391 E C 2.005 178.548 176.600 -0.096 0.000 0.992 391 E CA 1.121 57.358 56.400 -0.271 0.000 0.804 391 E CB -0.165 29.290 29.700 -0.409 0.000 0.741 391 E HN 0.094 nan 8.360 nan 0.000 0.458 392 V N 0.648 120.566 119.914 0.007 0.000 2.407 392 V HA -0.265 3.856 4.120 0.000 0.000 0.248 392 V C 2.089 178.216 176.094 0.056 0.000 1.055 392 V CA 1.458 63.846 62.300 0.147 0.000 1.049 392 V CB -0.390 31.622 31.823 0.316 0.000 0.662 392 V HN 0.342 nan 8.190 nan 0.000 0.455 393 M N -0.654 118.873 119.600 -0.123 0.000 2.175 393 M HA -0.117 4.363 4.480 0.000 0.000 0.264 393 M C 2.288 178.353 176.300 -0.391 0.000 1.063 393 M CA 1.476 56.527 55.300 -0.414 0.000 1.119 393 M CB -1.121 30.959 32.600 -0.866 0.000 1.377 393 M HN 0.390 nan 8.290 nan 0.000 0.415 394 Q N -0.368 119.292 119.800 -0.234 0.000 2.124 394 Q HA -0.082 4.258 4.340 0.000 0.000 0.202 394 Q C 2.107 178.068 176.000 -0.064 0.000 0.977 394 Q CA 1.123 56.880 55.803 -0.078 0.000 0.850 394 Q CB -0.315 28.383 28.738 -0.067 0.000 0.901 394 Q HN 0.520 nan 8.270 nan 0.000 0.429 395 M N -0.144 119.343 119.600 -0.188 0.000 2.117 395 M HA -0.155 4.325 4.480 0.000 0.000 0.262 395 M C 2.464 178.611 176.300 -0.255 0.000 1.065 395 M CA 0.922 55.960 55.300 -0.437 0.000 1.114 395 M CB -1.104 30.760 32.600 -1.228 0.000 1.361 395 M HN 0.282 nan 8.290 nan 0.000 0.408 396 C N 0.938 120.207 119.300 -0.051 0.000 2.413 396 C HA -0.182 4.278 4.460 0.000 0.000 0.276 396 C C 2.306 177.455 174.990 0.265 0.000 1.248 396 C CA 0.924 60.062 59.018 0.199 0.000 1.742 396 C CB -1.160 26.620 27.740 0.066 0.000 2.017 396 C HN 0.532 nan 8.230 nan 0.000 0.481 397 D N 0.207 120.711 120.400 0.173 0.000 2.144 397 D HA -0.099 4.541 4.640 0.000 0.000 0.199 397 D C 2.354 178.921 176.300 0.445 0.000 0.984 397 D CA 1.166 55.347 54.000 0.301 0.000 0.834 397 D CB -0.373 40.524 40.800 0.163 0.000 0.955 397 D HN 0.549 nan 8.370 nan 0.000 0.465 398 R N -1.049 119.620 120.500 0.281 0.000 2.173 398 R HA 0.019 4.359 4.340 0.000 0.000 0.208 398 R C 1.480 177.868 176.300 0.148 0.000 1.035 398 R CA 0.447 56.667 56.100 0.201 0.000 1.004 398 R CB 0.054 30.445 30.300 0.152 0.000 0.917 398 R HN 0.232 nan 8.270 nan 0.000 0.462 399 Y N -0.535 119.791 120.300 0.043 0.000 2.478 399 Y HA 0.258 4.808 4.550 0.000 0.000 0.261 399 Y C 1.450 177.372 175.900 0.037 0.000 1.127 399 Y CA 0.388 58.503 58.100 0.024 0.000 1.288 399 Y CB 0.750 39.253 38.460 0.071 0.000 1.084 399 Y HN 0.222 nan 8.280 nan 0.000 0.530 400 G N 0.779 109.718 108.800 0.231 0.000 2.160 400 G HA2 -0.234 3.727 3.960 0.000 0.000 0.244 400 G HA3 -0.234 3.727 3.960 0.000 0.000 0.244 400 G C -0.239 174.792 174.900 0.218 0.000 1.022 400 G CA -0.041 45.077 45.100 0.030 0.000 0.741 400 G HN 0.110 nan 8.290 nan 0.000 0.508 401 I N 1.896 122.657 120.570 0.319 0.000 2.297 401 I HA 0.339 4.509 4.170 0.000 0.000 0.291 401 I C 1.336 177.510 176.117 0.096 0.000 1.033 401 I CA -1.111 60.324 61.300 0.224 0.000 1.253 401 I CB 0.503 38.671 38.000 0.280 0.000 1.396 401 I HN 0.245 nan 8.210 nan 0.000 0.476 402 V N 6.424 126.371 119.914 0.054 0.000 3.051 402 V HA 0.570 4.690 4.120 0.000 0.000 0.306 402 V C 0.074 176.024 176.094 -0.240 0.000 1.083 402 V CA -0.318 61.949 62.300 -0.056 0.000 1.104 402 V CB 1.647 33.388 31.823 -0.136 0.000 1.027 402 V HN 0.382 nan 8.190 nan 0.000 0.483 403 V N 4.577 124.323 119.914 -0.280 0.000 2.588 403 V HA 0.476 4.596 4.120 0.000 0.000 0.304 403 V C -0.146 175.794 176.094 -0.257 0.000 1.042 403 V CA -0.428 61.625 62.300 -0.411 0.000 0.877 403 V CB 1.721 33.240 31.823 -0.507 0.000 0.996 403 V HN 0.839 nan 8.190 nan 0.000 0.425 404 I N 3.562 123.996 120.570 -0.226 0.000 2.291 404 I HA 0.280 4.450 4.170 0.000 0.000 0.290 404 I C -0.259 175.744 176.117 -0.189 0.000 1.050 404 I CA -0.121 61.069 61.300 -0.183 0.000 1.245 404 I CB 0.877 38.770 38.000 -0.178 0.000 1.405 404 I HN 0.532 nan 8.210 nan 0.000 0.478 405 D N 7.080 127.381 120.400 -0.166 0.000 2.316 405 D HA 0.127 4.768 4.640 0.000 0.000 0.245 405 D C -0.368 175.981 176.300 0.083 0.000 1.171 405 D CA 0.044 53.999 54.000 -0.074 0.000 0.856 405 D CB 0.881 41.678 40.800 -0.005 0.000 1.090 405 D HN 0.507 nan 8.370 nan 0.000 0.476 406 E N 2.692 122.883 120.200 -0.014 0.000 2.187 406 E HA 0.370 4.720 4.350 0.000 0.000 0.268 406 E C -0.321 176.309 176.600 0.051 0.000 0.896 406 E CA -0.922 55.506 56.400 0.045 0.000 0.766 406 E CB 0.958 30.656 29.700 -0.003 0.000 1.142 406 E HN 0.603 nan 8.360 nan 0.000 0.408 407 C N 2.448 121.816 119.300 0.115 0.000 2.403 407 C HA 0.567 5.028 4.460 0.000 0.000 0.361 407 C C -1.642 173.397 174.990 0.082 0.000 1.274 407 C CA -1.656 57.419 59.018 0.094 0.000 2.433 407 C CB 0.422 28.219 27.740 0.095 0.000 2.323 407 C HN 0.627 nan 8.230 nan 0.000 0.614 408 P HA 0.167 nan 4.420 nan 0.000 0.279 408 P C 0.726 178.028 177.300 0.002 0.000 1.451 408 P CA 0.806 63.950 63.100 0.073 0.000 0.783 408 P CB -0.794 30.978 31.700 0.120 0.000 1.490 409 G N 0.113 108.917 108.800 0.006 0.000 3.401 409 G HA2 0.257 4.217 3.960 0.000 0.000 0.251 409 G HA3 0.257 4.217 3.960 0.000 0.000 0.251 409 G C -0.349 174.615 174.900 0.107 0.000 0.960 409 G CA 0.022 45.137 45.100 0.026 0.000 1.900 409 G HN 0.314 nan 8.290 nan 0.000 0.645 410 V N 0.106 120.053 119.914 0.055 0.000 2.769 410 V HA 0.788 4.908 4.120 0.000 0.000 0.312 410 V C 0.952 177.108 176.094 0.103 0.000 1.061 410 V CA 0.633 62.975 62.300 0.070 0.000 0.931 410 V CB 1.581 33.449 31.823 0.075 0.000 1.010 410 V HN 1.259 nan 8.190 nan 0.000 0.433 411 G N 4.736 113.659 108.800 0.204 0.000 2.136 411 G HA2 -0.190 3.770 3.960 0.000 0.000 0.242 411 G HA3 -0.190 3.770 3.960 0.000 0.000 0.242 411 G C 0.104 175.165 174.900 0.269 0.000 0.989 411 G CA 0.308 45.609 45.100 0.334 0.000 0.682 411 G HN 0.988 nan 8.290 nan 0.000 0.522 412 L N 0.534 121.863 121.223 0.178 0.000 2.437 412 L HA 0.458 4.798 4.340 0.000 0.000 0.243 412 L C 1.848 178.895 176.870 0.295 0.000 1.346 412 L CA 0.296 55.227 54.840 0.151 0.000 1.233 412 L CB 0.090 42.106 42.059 -0.073 0.000 1.436 412 L HN 0.343 nan 8.230 nan 0.000 0.416 413 A N 2.012 124.996 122.820 0.274 0.000 2.169 413 A HA 0.315 4.635 4.320 0.000 0.000 0.210 413 A C 0.813 178.322 177.584 -0.126 0.000 1.168 413 A CA 0.221 52.294 52.037 0.061 0.000 0.813 413 A CB 0.334 19.290 19.000 -0.073 0.000 0.861 413 A HN 0.445 nan 8.150 nan 0.000 0.481 414 L N -0.564 120.418 121.223 -0.402 0.000 2.325 414 L HA 0.330 4.670 4.340 0.000 0.000 0.278 414 L C -1.786 174.888 176.870 -0.326 0.000 1.023 414 L CA -2.254 52.227 54.840 -0.599 0.000 0.811 414 L CB 1.591 42.942 42.059 -1.179 0.000 1.249 414 L HN -0.051 nan 8.230 nan 0.000 0.431 415 P HA -0.241 nan 4.420 nan 0.000 0.216 415 P C 1.291 178.592 177.300 0.000 0.000 1.150 415 P CA 1.190 64.294 63.100 0.006 0.000 0.843 415 P CB 0.080 31.747 31.700 -0.055 0.000 0.787 416 Q N -1.540 118.143 119.800 -0.195 0.000 2.364 416 Q HA -0.131 4.210 4.340 0.000 0.000 0.207 416 Q C 1.130 177.130 176.000 0.001 0.000 0.970 416 Q CA 1.158 56.892 55.803 -0.115 0.000 0.888 416 Q CB -0.793 27.859 28.738 -0.144 0.000 0.951 416 Q HN 0.150 nan 8.270 nan 0.000 0.469 417 F N 0.098 119.937 119.950 -0.185 0.000 2.748 417 F HA 0.179 4.706 4.527 0.000 0.000 0.299 417 F C 0.105 175.527 175.800 -0.630 0.000 1.154 417 F CA -0.399 57.355 58.000 -0.411 0.000 1.446 417 F CB -0.144 38.495 39.000 -0.601 0.000 1.112 417 F HN -0.038 nan 8.300 nan 0.000 0.584 418 F N 1.486 121.444 119.950 0.014 0.000 2.318 418 F HA 0.286 4.813 4.527 0.000 0.000 0.356 418 F C 0.123 175.987 175.800 0.106 0.000 1.109 418 F CA -1.050 56.918 58.000 -0.053 0.000 1.234 418 F CB -0.398 38.502 39.000 -0.167 0.000 1.545 418 F HN -0.070 nan 8.300 nan 0.000 0.534 419 N N -1.517 117.353 118.700 0.284 0.000 2.509 419 N HA 0.311 5.051 4.740 0.000 0.000 0.280 419 N C 0.372 176.035 175.510 0.255 0.000 1.306 419 N CA -0.936 52.249 53.050 0.226 0.000 0.782 419 N CB 0.643 39.215 38.487 0.142 0.000 1.493 419 N HN -0.010 nan 8.380 nan 0.000 0.498 420 N N -0.552 118.253 118.700 0.176 0.000 2.223 420 N HA -0.095 4.646 4.740 0.000 0.000 0.185 420 N C 0.987 176.578 175.510 0.135 0.000 1.016 420 N CA 0.955 54.093 53.050 0.148 0.000 0.863 420 N CB -0.105 38.435 38.487 0.089 0.000 0.983 420 N HN 0.445 nan 8.380 nan 0.000 0.429 421 V N -0.606 119.379 119.914 0.118 0.000 2.307 421 V HA -0.131 3.989 4.120 0.000 0.000 0.245 421 V C 2.234 178.429 176.094 0.168 0.000 1.045 421 V CA 1.660 64.026 62.300 0.110 0.000 1.024 421 V CB -0.747 31.113 31.823 0.062 0.000 0.651 421 V HN 0.283 nan 8.190 nan 0.000 0.449 422 S N 0.042 115.857 115.700 0.190 0.000 2.399 422 S HA -0.137 4.334 4.470 0.000 0.000 0.231 422 S C 1.850 176.638 174.600 0.313 0.000 1.022 422 S CA 1.472 59.824 58.200 0.253 0.000 0.983 422 S CB -0.340 63.009 63.200 0.250 0.000 0.803 422 S HN 0.428 nan 8.310 nan 0.000 0.480 423 L N 1.792 123.156 121.223 0.235 0.000 2.027 423 L HA -0.094 4.247 4.340 0.000 0.000 0.206 423 L C 2.188 179.006 176.870 -0.087 0.000 1.074 423 L CA 1.964 56.728 54.840 -0.126 0.000 0.745 423 L CB -0.970 41.013 42.059 -0.126 0.000 0.898 423 L HN 0.417 nan 8.230 nan 0.000 0.433 424 H N -1.381 117.655 119.070 -0.057 0.000 2.352 424 H HA -0.243 4.313 4.556 0.000 0.000 0.299 424 H C 2.221 177.523 175.328 -0.043 0.000 1.097 424 H CA 2.109 58.110 56.048 -0.079 0.000 1.311 424 H CB -0.149 29.592 29.762 -0.035 0.000 1.377 424 H HN 0.608 nan 8.280 nan 0.000 0.504 425 H N -0.301 118.760 119.070 -0.014 0.000 2.353 425 H HA -0.162 4.394 4.556 0.000 0.000 0.300 425 H C 2.162 177.446 175.328 -0.074 0.000 1.090 425 H CA 1.795 57.807 56.048 -0.060 0.000 1.327 425 H CB -0.334 29.429 29.762 0.002 0.000 1.383 425 H HN 0.571 nan 8.280 nan 0.000 0.508 426 H N -0.176 118.774 119.070 -0.200 0.000 2.387 426 H HA -0.091 4.465 4.556 0.000 0.000 0.299 426 H C 2.605 177.757 175.328 -0.293 0.000 1.090 426 H CA 1.501 57.412 56.048 -0.229 0.000 1.332 426 H CB 0.161 29.841 29.762 -0.136 0.000 1.386 426 H HN 0.314 nan 8.280 nan 0.000 0.516 427 M N -0.009 119.469 119.600 -0.203 0.000 2.117 427 M HA -0.210 4.270 4.480 0.000 0.000 0.262 427 M C 2.301 178.462 176.300 -0.231 0.000 1.065 427 M CA 1.666 56.779 55.300 -0.311 0.000 1.114 427 M CB -0.095 32.105 32.600 -0.666 0.000 1.361 427 M HN 0.419 nan 8.290 nan 0.000 0.408 428 Q N -0.460 119.135 119.800 -0.341 0.000 2.079 428 Q HA -0.125 4.215 4.340 0.000 0.000 0.200 428 Q C 2.170 178.043 176.000 -0.212 0.000 0.974 428 Q CA 1.340 56.980 55.803 -0.273 0.000 0.840 428 Q CB -0.215 28.324 28.738 -0.331 0.000 0.898 428 Q HN 0.356 nan 8.270 nan 0.000 0.430 429 V N 0.688 120.426 119.914 -0.292 0.000 2.343 429 V HA -0.276 3.844 4.120 0.000 0.000 0.247 429 V C 2.224 178.253 176.094 -0.109 0.000 1.051 429 V CA 1.395 63.565 62.300 -0.216 0.000 1.036 429 V CB -0.406 31.233 31.823 -0.307 0.000 0.654 429 V HN 0.439 nan 8.190 nan 0.000 0.451 430 M N -0.490 119.067 119.600 -0.072 0.000 2.159 430 M HA -0.164 4.316 4.480 0.000 0.000 0.263 430 M C 2.142 178.340 176.300 -0.169 0.000 1.063 430 M CA 1.528 56.771 55.300 -0.094 0.000 1.110 430 M CB -1.197 31.375 32.600 -0.046 0.000 1.374 430 M HN 0.474 nan 8.290 nan 0.000 0.411 431 E N -0.183 119.954 120.200 -0.105 0.000 2.058 431 E HA -0.216 4.134 4.350 0.000 0.000 0.194 431 E C 1.960 178.489 176.600 -0.118 0.000 0.997 431 E CA 1.322 57.649 56.400 -0.122 0.000 0.801 431 E CB -0.151 29.520 29.700 -0.048 0.000 0.746 431 E HN 0.590 nan 8.360 nan 0.000 0.450 432 E N 0.343 120.497 120.200 -0.076 0.000 2.077 432 E HA -0.171 4.179 4.350 0.000 0.000 0.193 432 E C 2.260 178.841 176.600 -0.030 0.000 0.989 432 E CA 1.134 57.519 56.400 -0.025 0.000 0.800 432 E CB 0.026 29.741 29.700 0.026 0.000 0.746 432 E HN 0.071 nan 8.360 nan 0.000 0.452 433 V N 0.913 120.789 119.914 -0.065 0.000 2.255 433 V HA -0.251 3.869 4.120 0.000 0.000 0.247 433 V C 2.370 178.380 176.094 -0.139 0.000 1.051 433 V CA 1.489 63.757 62.300 -0.053 0.000 1.018 433 V CB -0.437 31.343 31.823 -0.071 0.000 0.641 433 V HN 0.134 nan 8.190 nan 0.000 0.445 434 V N 0.075 119.759 119.914 -0.383 0.000 2.343 434 V HA -0.273 3.847 4.120 0.000 0.000 0.247 434 V C 2.567 178.577 176.094 -0.140 0.000 1.051 434 V CA 2.399 64.400 62.300 -0.498 0.000 1.036 434 V CB -0.848 30.582 31.823 -0.655 0.000 0.654 434 V HN 0.527 nan 8.190 nan 0.000 0.451 435 R N 0.146 120.580 120.500 -0.109 0.000 2.103 435 R HA -0.223 4.117 4.340 0.000 0.000 0.242 435 R C 2.524 178.825 176.300 0.001 0.000 1.142 435 R CA 2.072 58.145 56.100 -0.046 0.000 0.960 435 R CB -0.309 29.968 30.300 -0.037 0.000 0.858 435 R HN 0.395 nan 8.270 nan 0.000 0.439 436 R N -0.363 120.157 120.500 0.033 0.000 2.075 436 R HA -0.101 4.239 4.340 0.000 0.000 0.232 436 R C 0.558 176.922 176.300 0.106 0.000 1.126 436 R CA 1.945 58.091 56.100 0.078 0.000 0.963 436 R CB 0.120 30.485 30.300 0.108 0.000 0.858 436 R HN 0.268 nan 8.270 nan 0.000 0.435 437 D N -0.590 119.925 120.400 0.190 0.000 2.433 437 D HA -0.023 4.617 4.640 0.000 0.000 0.211 437 D C 1.116 177.585 176.300 0.283 0.000 1.114 437 D CA 0.195 54.392 54.000 0.329 0.000 0.837 437 D CB 0.417 41.499 40.800 0.470 0.000 0.984 437 D HN 0.356 nan 8.370 nan 0.000 0.505 438 K N 0.546 121.089 120.400 0.238 0.000 2.218 438 K HA -0.110 4.210 4.320 0.000 0.000 0.205 438 K C 0.870 177.493 176.600 0.038 0.000 1.046 438 K CA 1.026 57.445 56.287 0.220 0.000 0.933 438 K CB -0.036 32.532 32.500 0.113 0.000 0.728 438 K HN -0.092 nan 8.250 nan 0.000 0.454 439 N N 0.496 119.136 118.700 -0.100 0.000 2.280 439 N HA 0.006 4.746 4.740 0.000 0.000 0.192 439 N C -0.580 174.787 175.510 -0.239 0.000 1.109 439 N CA 0.125 53.077 53.050 -0.163 0.000 0.855 439 N CB 0.193 38.585 38.487 -0.158 0.000 0.974 439 N HN 0.272 nan 8.380 nan 0.000 0.482 440 H N 1.521 120.528 119.070 -0.105 0.000 2.782 440 H HA 0.121 4.677 4.556 0.000 0.000 0.285 440 H C -1.187 173.935 175.328 -0.343 0.000 1.093 440 H CA -1.416 54.518 56.048 -0.191 0.000 1.410 440 H CB 1.373 31.036 29.762 -0.165 0.000 1.439 440 H HN 0.062 nan 8.280 nan 0.000 0.469 441 P HA -0.147 nan 4.420 nan 0.000 0.218 441 P C 1.262 177.978 177.300 -0.973 0.000 1.148 441 P CA 1.140 63.777 63.100 -0.771 0.000 0.822 441 P CB 0.261 31.221 31.700 -1.235 0.000 0.784 442 A N 0.001 122.373 122.820 -0.747 0.000 2.019 442 A HA -0.023 4.298 4.320 0.000 0.000 0.219 442 A C 1.339 178.710 177.584 -0.354 0.000 1.164 442 A CA 0.719 52.470 52.037 -0.476 0.000 0.644 442 A CB -1.190 17.744 19.000 -0.110 0.000 0.805 442 A HN 0.098 nan 8.150 nan 0.000 0.449 443 V N 1.406 121.111 119.914 -0.349 0.000 2.446 443 V HA 0.147 4.268 4.120 0.000 0.000 0.276 443 V C 1.297 177.145 176.094 -0.410 0.000 1.030 443 V CA 0.684 62.748 62.300 -0.392 0.000 1.033 443 V CB 1.038 32.590 31.823 -0.452 0.000 0.993 443 V HN 0.489 nan 8.190 nan 0.000 0.477 444 V N 2.377 122.106 119.914 -0.308 0.000 3.477 444 V HA 0.558 4.678 4.120 0.000 0.000 0.297 444 V C 0.104 176.154 176.094 -0.074 0.000 1.433 444 V CA 0.094 62.303 62.300 -0.151 0.000 1.052 444 V CB 0.125 31.965 31.823 0.028 0.000 0.895 444 V HN 0.745 nan 8.190 nan 0.000 0.438 445 M N 0.194 119.634 119.600 -0.266 0.000 2.449 445 M HA 0.498 4.978 4.480 0.000 0.000 0.291 445 M C -2.541 173.565 176.300 -0.323 0.000 1.148 445 M CA -0.335 54.849 55.300 -0.192 0.000 0.925 445 M CB 1.875 34.516 32.600 0.069 0.000 1.767 445 M HN 0.233 nan 8.290 nan 0.000 0.503 446 W N 2.180 123.504 121.300 0.040 0.000 2.438 446 W HA 0.669 5.329 4.660 0.000 0.000 0.324 446 W C 0.020 176.565 176.519 0.043 0.000 1.119 446 W CA -0.588 56.771 57.345 0.025 0.000 1.221 446 W CB 1.638 31.113 29.460 0.025 0.000 1.253 446 W HN 0.585 nan 8.180 nan 0.000 0.555 447 S N 2.224 118.094 115.700 0.283 0.000 2.498 447 S HA 0.323 4.793 4.470 0.000 0.000 0.317 447 S C 0.298 175.050 174.600 0.254 0.000 1.090 447 S CA -0.818 57.517 58.200 0.226 0.000 1.089 447 S CB 1.041 64.326 63.200 0.142 0.000 0.997 447 S HN 0.594 nan 8.310 nan 0.000 0.470 448 V N 2.526 122.605 119.914 0.276 0.000 3.506 448 V HA 0.738 4.858 4.120 0.000 0.000 0.263 448 V C 0.547 176.853 176.094 0.353 0.000 1.203 448 V CA 0.796 63.258 62.300 0.271 0.000 1.133 448 V CB -0.928 30.979 31.823 0.140 0.000 0.802 448 V HN 1.050 nan 8.190 nan 0.000 0.459 449 A N 0.436 123.463 122.820 0.344 0.000 2.566 449 A HA 0.714 5.034 4.320 0.000 0.000 0.290 449 A C -1.440 176.340 177.584 0.327 0.000 1.071 449 A CA -0.299 51.937 52.037 0.331 0.000 0.658 449 A CB 1.100 20.286 19.000 0.310 0.000 1.285 449 A HN 0.382 nan 8.150 nan 0.000 0.427 450 N N 0.247 119.089 118.700 0.238 0.000 2.410 450 N HA 0.467 5.207 4.740 0.000 0.000 0.287 450 N C -0.768 174.838 175.510 0.160 0.000 1.044 450 N CA -0.111 53.039 53.050 0.168 0.000 0.881 450 N CB 1.097 39.561 38.487 -0.039 0.000 1.405 450 N HN 0.696 nan 8.380 nan 0.000 0.490 451 E N 0.602 120.936 120.200 0.224 0.000 2.199 451 E HA -0.189 4.161 4.350 0.000 0.000 0.208 451 E C -2.148 174.599 176.600 0.245 0.000 1.310 451 E CA 0.162 56.698 56.400 0.227 0.000 0.709 451 E CB -1.254 28.534 29.700 0.148 0.000 1.127 451 E HN 0.548 nan 8.360 nan 0.000 0.354 452 P HA 0.062 nan 4.420 nan 0.000 0.272 452 P C -0.185 177.264 177.300 0.247 0.000 1.240 452 P CA -0.087 63.179 63.100 0.277 0.000 0.791 452 P CB 0.742 32.573 31.700 0.218 0.000 0.978 453 A N 1.392 124.354 122.820 0.236 0.000 3.046 453 A HA 0.124 4.444 4.320 0.000 0.000 0.259 453 A C 1.398 178.820 177.584 -0.269 0.000 1.843 453 A CA 0.028 52.090 52.037 0.041 0.000 1.451 453 A CB -1.591 17.396 19.000 -0.022 0.000 1.025 453 A HN 0.481 nan 8.150 nan 0.000 0.625 454 S N 0.486 116.176 115.700 -0.015 0.000 2.603 454 S HA -0.126 4.344 4.470 0.000 0.000 0.229 454 S C 1.540 176.135 174.600 -0.009 0.000 0.972 454 S CA 0.736 58.901 58.200 -0.058 0.000 0.935 454 S CB -0.691 62.608 63.200 0.165 0.000 0.769 454 S HN 0.918 nan 8.310 nan 0.000 0.536 455 H N 1.219 120.292 119.070 0.004 0.000 2.524 455 H HA 0.232 4.788 4.556 0.000 0.000 0.282 455 H C 0.465 175.759 175.328 -0.056 0.000 1.016 455 H CA -0.014 56.032 56.048 -0.004 0.000 1.270 455 H CB -0.543 29.224 29.762 0.008 0.000 1.394 455 H HN 0.380 nan 8.280 nan 0.000 0.568 456 L N 2.077 122.983 121.223 -0.529 0.000 2.349 456 L HA 0.048 4.388 4.340 0.000 0.000 0.275 456 L C 1.521 178.240 176.870 -0.252 0.000 1.115 456 L CA -0.378 54.221 54.840 -0.401 0.000 0.820 456 L CB 1.280 43.003 42.059 -0.560 0.000 1.135 456 L HN 0.074 nan 8.230 nan 0.000 0.445 457 E N 1.327 121.447 120.200 -0.133 0.000 2.118 457 E HA -0.189 4.161 4.350 0.000 0.000 0.195 457 E C 2.080 178.644 176.600 -0.060 0.000 0.992 457 E CA 1.649 58.014 56.400 -0.058 0.000 0.804 457 E CB 0.085 29.770 29.700 -0.025 0.000 0.741 457 E HN 0.867 nan 8.360 nan 0.000 0.458 458 S N 1.183 116.813 115.700 -0.116 0.000 2.368 458 S HA -0.123 4.348 4.470 0.000 0.000 0.225 458 S C 2.302 176.829 174.600 -0.122 0.000 1.030 458 S CA 1.183 59.347 58.200 -0.061 0.000 0.999 458 S CB -0.289 62.881 63.200 -0.049 0.000 0.844 458 S HN 0.275 nan 8.310 nan 0.000 0.459 459 A N 2.114 124.616 122.820 -0.530 0.000 1.902 459 A HA 0.216 4.536 4.320 0.000 0.000 0.217 459 A C 2.446 179.895 177.584 -0.226 0.000 1.181 459 A CA 1.611 53.194 52.037 -0.757 0.000 0.623 459 A CB -1.855 16.427 19.000 -1.197 0.000 0.818 459 A HN 0.669 nan 8.150 nan 0.000 0.443 460 G N -1.333 107.394 108.800 -0.122 0.000 2.476 460 G HA2 -0.340 3.620 3.960 0.000 0.000 0.218 460 G HA3 -0.340 3.620 3.960 0.000 0.000 0.218 460 G C 1.582 176.490 174.900 0.012 0.000 1.164 460 G CA 1.427 46.548 45.100 0.036 0.000 0.768 460 G HN 0.636 nan 8.290 nan 0.000 0.560 461 Y N 0.061 120.329 120.300 -0.054 0.000 2.181 461 Y HA -0.164 4.386 4.550 0.000 0.000 0.288 461 Y C 2.501 178.361 175.900 -0.067 0.000 1.146 461 Y CA 1.681 59.731 58.100 -0.083 0.000 1.164 461 Y CB -0.532 37.910 38.460 -0.029 0.000 0.982 461 Y HN 0.259 nan 8.280 nan 0.000 0.515 462 Y N 0.496 120.718 120.300 -0.129 0.000 2.097 462 Y HA -0.303 4.247 4.550 0.000 0.000 0.282 462 Y C 2.054 177.778 175.900 -0.293 0.000 1.152 462 Y CA 2.303 60.316 58.100 -0.145 0.000 1.136 462 Y CB -0.659 37.895 38.460 0.157 0.000 0.975 462 Y HN 0.184 nan 8.280 nan 0.000 0.498 463 L N 0.277 121.491 121.223 -0.016 0.000 2.093 463 L HA -0.201 4.139 4.340 0.000 0.000 0.208 463 L C 2.622 179.308 176.870 -0.306 0.000 1.085 463 L CA 1.714 56.449 54.840 -0.175 0.000 0.755 463 L CB -0.647 41.254 42.059 -0.263 0.000 0.904 463 L HN 0.160 nan 8.230 nan 0.000 0.435 464 K N 0.123 120.217 120.400 -0.509 0.000 2.044 464 K HA -0.234 4.086 4.320 0.000 0.000 0.210 464 K C 2.224 178.521 176.600 -0.505 0.000 1.049 464 K CA 1.593 57.416 56.287 -0.772 0.000 0.927 464 K CB 0.032 31.801 32.500 -1.219 0.000 0.713 464 K HN 0.151 nan 8.250 nan 0.000 0.443 465 M N 0.524 119.780 119.600 -0.574 0.000 2.132 465 M HA -0.109 4.371 4.480 0.000 0.000 0.263 465 M C 2.324 178.417 176.300 -0.345 0.000 1.065 465 M CA 1.051 56.062 55.300 -0.480 0.000 1.122 465 M CB -0.706 31.515 32.600 -0.631 0.000 1.365 465 M HN 0.018 nan 8.290 nan 0.000 0.411 466 V N 0.608 120.277 119.914 -0.408 0.000 2.407 466 V HA -0.240 3.880 4.120 0.000 0.000 0.248 466 V C 2.438 178.432 176.094 -0.166 0.000 1.055 466 V CA 1.437 63.533 62.300 -0.341 0.000 1.049 466 V CB -0.612 30.876 31.823 -0.559 0.000 0.662 466 V HN 0.350 nan 8.190 nan 0.000 0.455 467 I N 0.485 120.971 120.570 -0.139 0.000 2.179 467 I HA -0.226 3.944 4.170 0.000 0.000 0.242 467 I C 2.710 178.809 176.117 -0.031 0.000 1.088 467 I CA 1.493 62.773 61.300 -0.033 0.000 1.357 467 I CB -0.625 37.398 38.000 0.038 0.000 1.051 467 I HN 0.284 nan 8.210 nan 0.000 0.409 468 A N 0.073 122.854 122.820 -0.065 0.000 1.908 468 A HA -0.324 3.996 4.320 0.000 0.000 0.218 468 A C 2.188 179.755 177.584 -0.028 0.000 1.181 468 A CA 2.226 54.238 52.037 -0.042 0.000 0.627 468 A CB -1.020 17.938 19.000 -0.071 0.000 0.818 468 A HN 0.505 nan 8.150 nan 0.000 0.445 469 H N -0.158 118.825 119.070 -0.146 0.000 2.353 469 H HA -0.078 4.478 4.556 0.000 0.000 0.300 469 H C 2.201 177.440 175.328 -0.148 0.000 1.090 469 H CA 2.285 58.244 56.048 -0.149 0.000 1.327 469 H CB -0.414 29.237 29.762 -0.185 0.000 1.383 469 H HN 0.408 nan 8.280 nan 0.000 0.508 470 T N 0.596 115.063 114.554 -0.144 0.000 2.684 470 T HA -0.139 4.211 4.350 0.000 0.000 0.267 470 T C 1.879 176.465 174.700 -0.190 0.000 1.036 470 T CA 1.683 63.641 62.100 -0.236 0.000 1.148 470 T CB -0.093 68.675 68.868 -0.167 0.000 0.863 470 T HN 0.379 nan 8.240 nan 0.000 0.436 471 K N 1.387 121.737 120.400 -0.082 0.000 2.147 471 K HA -0.078 4.242 4.320 0.000 0.000 0.205 471 K C 2.745 179.300 176.600 -0.076 0.000 1.049 471 K CA 1.494 57.760 56.287 -0.034 0.000 0.936 471 K CB -0.218 32.286 32.500 0.007 0.000 0.722 471 K HN 0.449 nan 8.250 nan 0.000 0.446 472 S N 0.958 116.578 115.700 -0.133 0.000 2.423 472 S HA -0.068 4.403 4.470 0.000 0.000 0.231 472 S C 1.906 176.395 174.600 -0.185 0.000 1.014 472 S CA 0.756 58.867 58.200 -0.147 0.000 0.965 472 S CB -0.310 62.792 63.200 -0.163 0.000 0.785 472 S HN 0.206 nan 8.310 nan 0.000 0.495 473 L N 0.397 121.465 121.223 -0.259 0.000 2.307 473 L HA 0.321 4.661 4.340 0.000 0.000 0.211 473 L C 0.304 177.086 176.870 -0.148 0.000 1.099 473 L CA 0.584 55.275 54.840 -0.250 0.000 0.816 473 L CB -0.133 41.707 42.059 -0.365 0.000 0.952 473 L HN 0.293 nan 8.230 nan 0.000 0.455 474 D N -0.467 119.878 120.400 -0.093 0.000 2.386 474 D HA 0.177 4.817 4.640 0.000 0.000 0.247 474 D C -1.999 174.339 176.300 0.062 0.000 1.336 474 D CA -1.646 52.373 54.000 0.031 0.000 0.976 474 D CB 1.698 42.611 40.800 0.187 0.000 1.257 474 D HN -0.208 nan 8.370 nan 0.000 0.570 475 P HA -0.016 nan 4.420 nan 0.000 0.237 475 P C 0.761 178.076 177.300 0.025 0.000 1.178 475 P CA 0.395 63.506 63.100 0.018 0.000 0.766 475 P CB 0.259 31.955 31.700 -0.007 0.000 0.876 476 S N -1.750 113.975 115.700 0.042 0.000 2.535 476 S HA 0.212 4.682 4.470 0.000 0.000 0.214 476 S C 0.850 175.438 174.600 -0.019 0.000 0.980 476 S CA -0.457 57.743 58.200 0.000 0.000 0.907 476 S CB -0.049 63.142 63.200 -0.014 0.000 0.790 476 S HN 0.037 nan 8.310 nan 0.000 0.510 477 R N 1.345 121.866 120.500 0.035 0.000 2.725 477 R HA 0.565 4.905 4.340 0.000 0.000 0.277 477 R C -3.097 173.233 176.300 0.049 0.000 0.987 477 R CA -2.173 53.911 56.100 -0.027 0.000 0.901 477 R CB 1.536 31.724 30.300 -0.187 0.000 1.207 477 R HN 0.167 nan 8.270 nan 0.000 0.463 478 P HA 0.207 nan 4.420 nan 0.000 0.274 478 P C -0.794 176.601 177.300 0.158 0.000 1.246 478 P CA -0.366 62.781 63.100 0.078 0.000 0.795 478 P CB 0.917 32.650 31.700 0.056 0.000 1.006 479 V N 0.015 120.038 119.914 0.182 0.000 2.735 479 V HA 0.686 4.806 4.120 0.000 0.000 0.310 479 V C 0.271 176.477 176.094 0.187 0.000 1.061 479 V CA -0.287 62.150 62.300 0.228 0.000 0.913 479 V CB 1.851 33.807 31.823 0.222 0.000 1.005 479 V HN 0.811 nan 8.190 nan 0.000 0.428 480 T N 2.721 117.392 114.554 0.196 0.000 2.787 480 T HA 0.827 5.177 4.350 0.000 0.000 0.297 480 T C -1.867 172.990 174.700 0.262 0.000 1.221 480 T CA -0.389 61.803 62.100 0.154 0.000 1.006 480 T CB 1.654 70.549 68.868 0.045 0.000 1.328 480 T HN 0.810 nan 8.240 nan 0.000 0.509 481 F N 0.114 120.114 119.950 0.084 0.000 2.613 481 F HA 0.862 5.389 4.527 0.000 0.000 0.314 481 F C -1.589 174.250 175.800 0.064 0.000 1.075 481 F CA -1.196 56.860 58.000 0.094 0.000 0.945 481 F CB 0.865 39.938 39.000 0.122 0.000 1.310 481 F HN 0.315 nan 8.300 nan 0.000 0.467 482 V N 2.272 122.226 119.914 0.067 0.000 2.407 482 V HA 0.533 4.653 4.120 0.000 0.000 0.278 482 V C -0.193 175.914 176.094 0.021 0.000 1.037 482 V CA -0.285 61.981 62.300 -0.057 0.000 0.900 482 V CB 0.900 32.761 31.823 0.063 0.000 0.983 482 V HN 0.906 nan 8.190 nan 0.000 0.459 483 S N 3.294 118.913 115.700 -0.134 0.000 2.503 483 S HA 0.480 4.951 4.470 0.000 0.000 0.301 483 S C 0.396 175.055 174.600 0.098 0.000 1.087 483 S CA -0.735 57.494 58.200 0.048 0.000 1.042 483 S CB 1.083 64.241 63.200 -0.070 0.000 1.043 483 S HN 0.914 nan 8.310 nan 0.000 0.489 484 N N 1.814 120.640 118.700 0.211 0.000 2.282 484 N HA 0.174 4.914 4.740 0.000 0.000 0.240 484 N C -0.460 175.226 175.510 0.295 0.000 1.182 484 N CA -0.397 52.789 53.050 0.228 0.000 0.874 484 N CB 0.211 38.820 38.487 0.205 0.000 1.126 484 N HN 0.244 nan 8.380 nan 0.000 0.516 485 S N 0.967 116.889 115.700 0.370 0.000 2.614 485 S HA 0.113 4.583 4.470 0.000 0.000 0.265 485 S C 0.218 175.083 174.600 0.442 0.000 1.303 485 S CA -0.588 57.840 58.200 0.380 0.000 1.000 485 S CB 0.556 64.003 63.200 0.413 0.000 0.935 485 S HN 0.437 nan 8.310 nan 0.000 0.551 486 N N 1.092 119.944 118.700 0.254 0.000 2.458 486 N HA -0.046 4.694 4.740 0.000 0.000 0.258 486 N C 0.972 176.460 175.510 -0.037 0.000 1.219 486 N CA -0.090 53.047 53.050 0.147 0.000 0.902 486 N CB 0.134 38.620 38.487 -0.001 0.000 1.076 486 N HN 0.696 nan 8.380 nan 0.000 0.455 487 Y N 2.909 122.984 120.300 -0.375 0.000 2.207 487 Y HA -0.069 4.481 4.550 0.000 0.000 0.287 487 Y C 1.801 177.395 175.900 -0.510 0.000 1.156 487 Y CA 1.568 58.956 58.100 -1.188 0.000 1.182 487 Y CB -0.802 36.710 38.460 -1.580 0.000 0.979 487 Y HN 0.484 nan 8.280 nan 0.000 0.521 488 A N 0.592 122.622 122.820 -1.316 0.000 2.067 488 A HA 0.304 4.624 4.320 0.000 0.000 0.217 488 A C 2.252 179.619 177.584 -0.362 0.000 1.156 488 A CA 1.127 52.617 52.037 -0.911 0.000 0.683 488 A CB -0.963 17.465 19.000 -0.953 0.000 0.808 488 A HN 0.687 nan 8.150 nan 0.000 0.455 489 A N -1.056 121.626 122.820 -0.230 0.000 2.197 489 A HA 0.176 4.497 4.320 0.000 0.000 0.210 489 A C 0.702 178.330 177.584 0.074 0.000 1.180 489 A CA 0.245 52.254 52.037 -0.047 0.000 0.846 489 A CB -0.061 18.934 19.000 -0.008 0.000 0.884 489 A HN 0.294 nan 8.150 nan 0.000 0.487 490 D N 1.051 121.519 120.400 0.113 0.000 2.356 490 D HA 0.054 4.695 4.640 0.000 0.000 0.272 490 D C 0.542 176.982 176.300 0.233 0.000 1.337 490 D CA 0.131 54.283 54.000 0.253 0.000 0.970 490 D CB 0.626 41.679 40.800 0.421 0.000 1.092 490 D HN 0.021 nan 8.370 nan 0.000 0.516 491 K N 2.365 122.881 120.400 0.194 0.000 2.432 491 K HA 0.038 4.358 4.320 0.000 0.000 0.196 491 K C 1.664 178.431 176.600 0.278 0.000 1.038 491 K CA 0.305 56.703 56.287 0.186 0.000 0.986 491 K CB 0.201 32.765 32.500 0.107 0.000 0.782 491 K HN 0.459 nan 8.250 nan 0.000 0.485 492 G N 0.681 109.674 108.800 0.322 0.000 2.603 492 G HA2 -0.017 3.943 3.960 0.000 0.000 0.214 492 G HA3 -0.017 3.943 3.960 0.000 0.000 0.214 492 G C 1.589 176.810 174.900 0.535 0.000 1.140 492 G CA 0.550 45.920 45.100 0.451 0.000 0.800 492 G HN 0.289 nan 8.290 nan 0.000 0.533 493 A N 1.774 124.768 122.820 0.289 0.000 1.972 493 A HA 0.068 4.389 4.320 0.000 0.000 0.219 493 A C 0.539 177.945 177.584 -0.296 0.000 1.169 493 A CA 1.548 53.526 52.037 -0.099 0.000 0.635 493 A CB -0.971 17.753 19.000 -0.460 0.000 0.810 493 A HN 0.343 nan 8.150 nan 0.000 0.446 494 P HA -0.130 nan 4.420 nan 0.000 0.221 494 P C 0.390 177.478 177.300 -0.354 0.000 1.145 494 P CA 1.042 63.968 63.100 -0.290 0.000 0.795 494 P CB -0.144 31.241 31.700 -0.525 0.000 0.775 495 Y N -1.543 118.825 120.300 0.113 0.000 2.478 495 Y HA 0.087 4.637 4.550 0.000 0.000 0.261 495 Y C 1.401 177.370 175.900 0.114 0.000 1.127 495 Y CA -0.536 57.628 58.100 0.107 0.000 1.288 495 Y CB -0.787 37.731 38.460 0.097 0.000 1.084 495 Y HN -0.200 nan 8.280 nan 0.000 0.530 496 V N -2.164 117.877 119.914 0.212 0.000 2.785 496 V HA 0.250 4.371 4.120 0.000 0.000 0.300 496 V C 0.613 176.771 176.094 0.106 0.000 1.062 496 V CA -0.651 61.746 62.300 0.162 0.000 1.029 496 V CB 1.403 33.272 31.823 0.077 0.000 1.024 496 V HN 0.025 nan 8.190 nan 0.000 0.477 497 D N 1.479 121.945 120.400 0.110 0.000 2.240 497 D HA 0.138 4.778 4.640 0.000 0.000 0.206 497 D C 0.384 176.748 176.300 0.106 0.000 0.963 497 D CA 1.082 55.142 54.000 0.100 0.000 0.863 497 D CB 0.598 41.456 40.800 0.098 0.000 0.973 497 D HN 0.455 nan 8.370 nan 0.000 0.501 498 V N 1.467 121.439 119.914 0.096 0.000 2.638 498 V HA 0.316 4.436 4.120 0.000 0.000 0.306 498 V C -0.150 175.938 176.094 -0.010 0.000 1.052 498 V CA -0.801 61.554 62.300 0.093 0.000 0.885 498 V CB 2.741 34.654 31.823 0.150 0.000 0.999 498 V HN -0.114 nan 8.190 nan 0.000 0.424 499 I N 3.581 124.134 120.570 -0.028 0.000 2.352 499 I HA 0.305 4.475 4.170 0.000 0.000 0.290 499 I C -0.313 175.675 176.117 -0.216 0.000 1.036 499 I CA 0.108 61.308 61.300 -0.167 0.000 1.336 499 I CB 0.754 38.684 38.000 -0.118 0.000 1.407 499 I HN 0.535 nan 8.210 nan 0.000 0.497 500 C N 7.639 126.750 119.300 -0.315 0.000 2.298 500 C HA 0.587 5.047 4.460 0.000 0.000 0.323 500 C C 0.051 174.853 174.990 -0.312 0.000 1.284 500 C CA -0.753 58.107 59.018 -0.263 0.000 1.577 500 C CB 0.050 27.660 27.740 -0.216 0.000 2.249 500 C HN 0.563 nan 8.230 nan 0.000 0.497 501 L N 4.182 125.256 121.223 -0.249 0.000 2.346 501 L HA 0.522 4.862 4.340 0.000 0.000 0.276 501 L C -0.595 176.228 176.870 -0.078 0.000 1.006 501 L CA -0.360 54.330 54.840 -0.250 0.000 0.817 501 L CB 1.315 43.156 42.059 -0.363 0.000 1.272 501 L HN 0.603 nan 8.230 nan 0.000 0.421 502 N N 1.512 120.201 118.700 -0.019 0.000 2.408 502 N HA 0.552 5.292 4.740 0.000 0.000 0.280 502 N C -0.990 174.550 175.510 0.051 0.000 1.002 502 N CA -0.245 52.824 53.050 0.031 0.000 0.907 502 N CB 2.115 40.678 38.487 0.127 0.000 1.161 502 N HN 0.503 nan 8.380 nan 0.000 0.488 503 S N 1.448 117.096 115.700 -0.086 0.000 2.550 503 S HA 0.580 5.051 4.470 0.000 0.000 0.270 503 S C -1.847 172.589 174.600 -0.273 0.000 1.145 503 S CA -0.493 57.635 58.200 -0.121 0.000 0.852 503 S CB 0.502 63.474 63.200 -0.381 0.000 1.119 503 S HN 0.454 nan 8.310 nan 0.000 0.465 504 Y N 2.399 122.673 120.300 -0.042 0.000 2.512 504 Y HA 0.363 4.913 4.550 0.000 0.000 0.326 504 Y C -0.932 175.076 175.900 0.181 0.000 1.008 504 Y CA -0.761 57.384 58.100 0.074 0.000 1.139 504 Y CB 0.080 38.569 38.460 0.049 0.000 1.137 504 Y HN 0.567 nan 8.280 nan 0.000 0.630 505 Y N 0.670 121.351 120.300 0.635 0.000 2.610 505 Y HA 0.121 4.671 4.550 0.000 0.000 0.332 505 Y C 1.569 177.748 175.900 0.465 0.000 1.201 505 Y CA 0.650 59.060 58.100 0.517 0.000 1.465 505 Y CB 0.643 39.297 38.460 0.322 0.000 1.283 505 Y HN 0.580 nan 8.280 nan 0.000 0.563 506 S N 0.163 116.204 115.700 0.569 0.000 2.769 506 S HA -0.258 4.212 4.470 0.000 0.000 0.264 506 S C 0.945 175.813 174.600 0.447 0.000 1.288 506 S CA 1.195 59.684 58.200 0.483 0.000 1.378 506 S CB -2.084 61.414 63.200 0.497 0.000 1.702 506 S HN 0.928 nan 8.310 nan 0.000 0.656 507 W N 0.755 122.187 121.300 0.220 0.000 3.103 507 W HA 0.284 4.944 4.660 0.000 0.000 0.258 507 W C 1.395 177.905 176.519 -0.015 0.000 1.001 507 W CA 1.060 58.418 57.345 0.021 0.000 1.940 507 W CB -0.062 29.313 29.460 -0.143 0.000 1.116 507 W HN 0.370 nan 8.180 nan 0.000 0.600 508 Y N 0.790 121.081 120.300 -0.015 0.000 2.511 508 Y HA 0.045 4.595 4.550 0.000 0.000 0.279 508 Y C -0.128 175.649 175.900 -0.205 0.000 1.157 508 Y CA 0.960 58.961 58.100 -0.165 0.000 1.300 508 Y CB -0.603 37.741 38.460 -0.194 0.000 1.052 508 Y HN 0.047 nan 8.280 nan 0.000 0.529 509 H N -4.638 114.638 119.070 0.342 0.000 3.014 509 H HA 0.310 4.867 4.556 0.000 0.000 0.337 509 H C -0.799 174.500 175.328 -0.048 0.000 1.320 509 H CA -1.916 54.137 56.048 0.009 0.000 1.128 509 H CB 0.372 30.201 29.762 0.111 0.000 1.862 509 H HN -0.220 nan 8.280 nan 0.000 0.536 510 D N 0.315 120.639 120.400 -0.127 0.000 2.735 510 D HA -0.205 4.435 4.640 0.000 0.000 0.235 510 D C -0.891 175.523 176.300 0.191 0.000 1.175 510 D CA 0.658 54.639 54.000 -0.032 0.000 0.683 510 D CB -1.180 39.652 40.800 0.053 0.000 1.008 510 D HN 0.393 nan 8.370 nan 0.000 0.416 511 Y N 0.454 120.862 120.300 0.179 0.000 2.802 511 Y HA 0.263 4.813 4.550 0.000 0.000 0.333 511 Y C 2.064 178.016 175.900 0.086 0.000 1.244 511 Y CA 0.715 58.831 58.100 0.027 0.000 1.558 511 Y CB 0.021 38.419 38.460 -0.105 0.000 1.233 511 Y HN 0.395 nan 8.280 nan 0.000 0.547 512 G N 1.597 110.535 108.800 0.231 0.000 2.195 512 G HA2 -0.265 3.695 3.960 0.000 0.000 0.246 512 G HA3 -0.265 3.695 3.960 0.000 0.000 0.246 512 G C 0.138 175.172 174.900 0.223 0.000 0.984 512 G CA -0.215 45.008 45.100 0.206 0.000 0.633 512 G HN 0.751 nan 8.290 nan 0.000 0.525 513 H N 1.226 120.452 119.070 0.261 0.000 2.855 513 H HA 0.362 4.918 4.556 0.000 0.000 0.238 513 H C 1.963 177.397 175.328 0.177 0.000 1.847 513 H CA 0.124 56.282 56.048 0.185 0.000 1.368 513 H CB -0.065 29.773 29.762 0.128 0.000 1.758 513 H HN 0.299 nan 8.280 nan 0.000 0.546 514 L N 1.031 122.372 121.223 0.198 0.000 2.187 514 L HA -0.202 4.138 4.340 0.000 0.000 0.213 514 L C 2.634 179.556 176.870 0.087 0.000 1.100 514 L CA 1.130 56.025 54.840 0.092 0.000 0.765 514 L CB -0.130 41.898 42.059 -0.053 0.000 0.904 514 L HN 0.512 nan 8.230 nan 0.000 0.437 515 E N 0.876 121.140 120.200 0.108 0.000 2.418 515 E HA -0.176 4.174 4.350 0.000 0.000 0.197 515 E C 1.821 178.458 176.600 0.061 0.000 1.026 515 E CA 1.034 57.480 56.400 0.077 0.000 0.862 515 E CB -0.165 29.590 29.700 0.091 0.000 0.799 515 E HN 0.572 nan 8.360 nan 0.000 0.518 516 L N 0.212 121.486 121.223 0.087 0.000 2.529 516 L HA 0.165 4.506 4.340 0.000 0.000 0.223 516 L C 2.398 179.247 176.870 -0.036 0.000 1.113 516 L CA -0.044 54.812 54.840 0.026 0.000 0.861 516 L CB -0.173 41.916 42.059 0.049 0.000 1.012 516 L HN -0.006 nan 8.230 nan 0.000 0.461 517 I N -0.110 120.462 120.570 0.003 0.000 2.142 517 I HA -0.317 3.853 4.170 0.000 0.000 0.240 517 I C 2.624 178.629 176.117 -0.186 0.000 1.078 517 I CA 1.503 62.766 61.300 -0.061 0.000 1.343 517 I CB -0.259 37.725 38.000 -0.027 0.000 1.046 517 I HN 0.314 nan 8.210 nan 0.000 0.405 518 Q N 0.072 119.796 119.800 -0.127 0.000 2.077 518 Q HA -0.269 4.071 4.340 0.000 0.000 0.206 518 Q C 2.308 178.234 176.000 -0.123 0.000 0.989 518 Q CA 1.717 57.451 55.803 -0.115 0.000 0.853 518 Q CB -0.327 28.376 28.738 -0.059 0.000 0.907 518 Q HN 0.381 nan 8.270 nan 0.000 0.418 519 L N 0.925 122.076 121.223 -0.120 0.000 1.994 519 L HA -0.227 4.113 4.340 0.000 0.000 0.208 519 L C 2.077 178.826 176.870 -0.202 0.000 1.071 519 L CA 1.889 56.656 54.840 -0.122 0.000 0.745 519 L CB -0.435 41.565 42.059 -0.098 0.000 0.892 519 L HN 0.168 nan 8.230 nan 0.000 0.431 520 Q N -1.231 118.367 119.800 -0.337 0.000 2.167 520 Q HA -0.166 4.175 4.340 0.000 0.000 0.202 520 Q C 2.165 177.813 176.000 -0.585 0.000 0.970 520 Q CA 1.288 56.748 55.803 -0.571 0.000 0.855 520 Q CB -0.187 27.957 28.738 -0.989 0.000 0.911 520 Q HN 0.418 nan 8.270 nan 0.000 0.438 521 L N 0.464 121.415 121.223 -0.454 0.000 2.109 521 L HA -0.070 4.270 4.340 0.000 0.000 0.207 521 L C 2.152 178.879 176.870 -0.240 0.000 1.086 521 L CA 1.662 56.313 54.840 -0.315 0.000 0.760 521 L CB -0.695 41.187 42.059 -0.295 0.000 0.910 521 L HN 0.116 nan 8.230 nan 0.000 0.437 522 A N -1.592 121.175 122.820 -0.088 0.000 1.883 522 A HA -0.237 4.083 4.320 0.000 0.000 0.217 522 A C 2.290 179.898 177.584 0.041 0.000 1.186 522 A CA 2.442 54.507 52.037 0.047 0.000 0.624 522 A CB -1.210 17.803 19.000 0.021 0.000 0.822 522 A HN 0.463 nan 8.150 nan 0.000 0.444 523 T N -0.457 114.067 114.554 -0.049 0.000 2.720 523 T HA -0.213 4.138 4.350 0.000 0.000 0.268 523 T C 2.085 176.773 174.700 -0.022 0.000 1.037 523 T CA 1.635 63.706 62.100 -0.050 0.000 1.144 523 T CB -0.289 68.522 68.868 -0.095 0.000 0.864 523 T HN 0.652 nan 8.240 nan 0.000 0.444 524 Q N -0.261 119.523 119.800 -0.028 0.000 2.030 524 Q HA -0.164 4.176 4.340 0.000 0.000 0.204 524 Q C 2.003 178.163 176.000 0.267 0.000 0.986 524 Q CA 1.752 57.622 55.803 0.110 0.000 0.843 524 Q CB -0.253 28.486 28.738 0.002 0.000 0.904 524 Q HN 0.469 nan 8.270 nan 0.000 0.420 525 F N 1.097 121.218 119.950 0.285 0.000 2.134 525 F HA -0.107 4.420 4.527 0.000 0.000 0.299 525 F C 2.361 178.380 175.800 0.365 0.000 1.097 525 F CA 1.386 59.604 58.000 0.364 0.000 1.264 525 F CB -0.691 38.483 39.000 0.291 0.000 1.001 525 F HN 0.245 nan 8.300 nan 0.000 0.479 526 E N 0.120 120.561 120.200 0.401 0.000 2.051 526 E HA -0.214 4.136 4.350 0.000 0.000 0.192 526 E C 2.033 178.685 176.600 0.086 0.000 0.991 526 E CA 1.274 57.818 56.400 0.240 0.000 0.799 526 E CB -0.048 29.730 29.700 0.130 0.000 0.748 526 E HN 0.280 nan 8.360 nan 0.000 0.449 527 N N -0.162 118.490 118.700 -0.080 0.000 2.106 527 N HA -0.163 4.577 4.740 0.000 0.000 0.188 527 N C 1.413 176.725 175.510 -0.331 0.000 1.029 527 N CA 1.058 53.809 53.050 -0.498 0.000 0.848 527 N CB -0.566 37.224 38.487 -1.163 0.000 1.007 527 N HN 0.278 nan 8.380 nan 0.000 0.423 528 W N 0.369 121.652 121.300 -0.028 0.000 2.355 528 W HA -0.122 4.538 4.660 0.000 0.000 0.309 528 W C 2.240 178.880 176.519 0.201 0.000 1.206 528 W CA 0.750 58.224 57.345 0.215 0.000 1.284 528 W CB -0.752 28.891 29.460 0.306 0.000 1.145 528 W HN 0.118 nan 8.180 nan 0.000 0.502 529 Y N 1.109 121.537 120.300 0.213 0.000 2.314 529 Y HA -0.152 4.398 4.550 0.000 0.000 0.293 529 Y C 2.475 178.319 175.900 -0.094 0.000 1.129 529 Y CA 1.905 59.955 58.100 -0.084 0.000 1.201 529 Y CB -0.523 37.500 38.460 -0.728 0.000 0.999 529 Y HN -0.144 nan 8.280 nan 0.000 0.541 530 K N 0.355 120.735 120.400 -0.034 0.000 2.063 530 K HA -0.254 4.067 4.320 0.000 0.000 0.208 530 K C 2.255 178.746 176.600 -0.183 0.000 1.048 530 K CA 1.866 58.089 56.287 -0.105 0.000 0.928 530 K CB -0.141 32.321 32.500 -0.063 0.000 0.713 530 K HN 0.210 nan 8.250 nan 0.000 0.442 531 K N -1.128 119.162 120.400 -0.183 0.000 2.062 531 K HA -0.113 4.207 4.320 0.000 0.000 0.205 531 K C 1.396 177.659 176.600 -0.561 0.000 1.051 531 K CA 1.325 57.388 56.287 -0.374 0.000 0.941 531 K CB 0.107 32.353 32.500 -0.422 0.000 0.719 531 K HN 0.164 nan 8.250 nan 0.000 0.440 532 Y N -0.080 120.176 120.300 -0.073 0.000 2.535 532 Y HA 0.156 4.706 4.550 0.000 0.000 0.264 532 Y C 0.018 175.788 175.900 -0.216 0.000 1.087 532 Y CA -0.138 57.922 58.100 -0.066 0.000 1.285 532 Y CB 0.552 39.074 38.460 0.103 0.000 1.200 532 Y HN 0.037 nan 8.280 nan 0.000 0.514 533 Q N 0.440 119.975 119.800 -0.441 0.000 2.463 533 Q HA -0.244 4.096 4.340 0.000 0.000 0.299 533 Q C -0.681 175.148 176.000 -0.285 0.000 1.353 533 Q CA 0.742 56.039 55.803 -0.844 0.000 0.828 533 Q CB -1.607 26.855 28.738 -0.460 0.000 1.157 533 Q HN 0.333 nan 8.270 nan 0.000 0.436 534 K N -0.162 120.228 120.400 -0.015 0.000 2.435 534 K HA 0.549 4.869 4.320 0.000 0.000 0.251 534 K C -2.662 174.174 176.600 0.393 0.000 0.954 534 K CA -2.530 53.884 56.287 0.212 0.000 0.820 534 K CB 1.882 34.477 32.500 0.158 0.000 1.292 534 K HN -0.228 nan 8.250 nan 0.000 0.436 535 P HA 0.082 nan 4.420 nan 0.000 0.267 535 P C -0.874 176.578 177.300 0.254 0.000 1.200 535 P CA 0.201 63.496 63.100 0.325 0.000 0.772 535 P CB 0.443 32.319 31.700 0.294 0.000 0.855 536 I N 2.919 123.627 120.570 0.230 0.000 2.509 536 I HA 0.420 4.590 4.170 0.000 0.000 0.293 536 I C 0.013 176.153 176.117 0.039 0.000 1.020 536 I CA -0.720 60.667 61.300 0.145 0.000 1.088 536 I CB 1.623 39.781 38.000 0.263 0.000 1.267 536 I HN 0.099 nan 8.210 nan 0.000 0.430 537 I N 4.601 125.146 120.570 -0.042 0.000 2.433 537 I HA 0.211 4.381 4.170 0.000 0.000 0.292 537 I C -0.268 175.834 176.117 -0.026 0.000 1.001 537 I CA -0.783 60.448 61.300 -0.115 0.000 1.119 537 I CB 1.914 39.736 38.000 -0.297 0.000 1.289 537 I HN 0.521 nan 8.210 nan 0.000 0.438 538 Q N 3.942 123.780 119.800 0.064 0.000 2.402 538 Q HA 0.111 4.451 4.340 0.000 0.000 0.238 538 Q C 0.694 176.750 176.000 0.092 0.000 1.126 538 Q CA -0.089 55.800 55.803 0.143 0.000 0.904 538 Q CB 0.692 29.593 28.738 0.271 0.000 1.357 538 Q HN 0.738 nan 8.270 nan 0.000 0.491 539 S N 2.151 117.871 115.700 0.033 0.000 2.501 539 S HA 0.150 4.621 4.470 0.000 0.000 0.220 539 S C -0.042 174.629 174.600 0.118 0.000 0.997 539 S CA 0.114 58.330 58.200 0.027 0.000 0.919 539 S CB 0.226 63.411 63.200 -0.025 0.000 0.778 539 S HN 0.629 nan 8.310 nan 0.000 0.523 540 E N -0.074 120.185 120.200 0.098 0.000 2.352 540 E HA 0.563 4.914 4.350 0.000 0.000 0.280 540 E C -1.797 174.686 176.600 -0.195 0.000 0.930 540 E CA -0.952 55.474 56.400 0.044 0.000 0.765 540 E CB 2.266 31.990 29.700 0.040 0.000 1.219 540 E HN 0.451 nan 8.360 nan 0.000 0.434 541 Y N -0.565 119.430 120.300 -0.508 0.000 2.641 541 Y HA 0.778 5.328 4.550 0.000 0.000 0.333 541 Y C -0.442 175.138 175.900 -0.534 0.000 1.174 541 Y CA -0.502 57.015 58.100 -0.972 0.000 1.057 541 Y CB 1.322 39.071 38.460 -1.185 0.000 1.322 541 Y HN 0.741 nan 8.280 nan 0.000 0.457 542 G N 0.138 108.645 108.800 -0.489 0.000 2.324 542 G HA2 0.668 4.628 3.960 0.000 0.000 0.293 542 G HA3 0.668 4.628 3.960 0.000 0.000 0.293 542 G C -2.198 172.569 174.900 -0.222 0.000 1.297 542 G CA -0.260 44.684 45.100 -0.260 0.000 0.853 542 G HN 1.734 nan 8.290 nan 0.000 0.535 543 A N -0.276 122.294 122.820 -0.415 0.000 2.459 543 A HA 0.744 5.064 4.320 0.000 0.000 0.296 543 A C -0.480 176.513 177.584 -0.985 0.000 1.039 543 A CA -0.557 50.926 52.037 -0.923 0.000 0.698 543 A CB 1.460 20.255 19.000 -0.341 0.000 1.261 543 A HN 0.551 nan 8.150 nan 0.000 0.405 544 E N 1.362 120.593 120.200 -1.615 0.000 2.415 544 E HA 0.318 4.669 4.350 0.000 0.000 0.263 544 E C -0.599 175.714 176.600 -0.480 0.000 0.995 544 E CA 0.681 56.617 56.400 -0.773 0.000 0.915 544 E CB 0.640 30.043 29.700 -0.495 0.000 0.951 544 E HN 0.495 nan 8.360 nan 0.000 0.449 545 T N 3.616 118.067 114.554 -0.172 0.000 3.170 545 T HA 0.287 4.637 4.350 0.000 0.000 0.315 545 T C -0.028 174.664 174.700 -0.013 0.000 0.967 545 T CA -0.665 61.401 62.100 -0.057 0.000 1.024 545 T CB 0.599 69.419 68.868 -0.080 0.000 1.018 545 T HN 0.208 nan 8.240 nan 0.000 0.449 546 I N 2.842 123.407 120.570 -0.008 0.000 2.337 546 I HA 0.410 4.580 4.170 0.000 0.000 0.291 546 I C 1.123 177.291 176.117 0.084 0.000 1.046 546 I CA -0.824 60.447 61.300 -0.050 0.000 1.324 546 I CB 0.284 38.052 38.000 -0.386 0.000 1.409 546 I HN 0.736 nan 8.210 nan 0.000 0.494 547 A N 4.769 127.632 122.820 0.071 0.000 2.546 547 A HA 0.414 4.734 4.320 0.000 0.000 0.243 547 A C 1.349 179.007 177.584 0.124 0.000 1.063 547 A CA 0.782 52.860 52.037 0.069 0.000 0.757 547 A CB -0.229 18.803 19.000 0.053 0.000 0.991 547 A HN 1.342 nan 8.150 nan 0.000 0.503 548 G N 1.181 109.991 108.800 0.015 0.000 2.217 548 G HA2 -0.237 3.724 3.960 0.000 0.000 0.246 548 G HA3 -0.237 3.724 3.960 0.000 0.000 0.246 548 G C 0.088 174.919 174.900 -0.114 0.000 0.990 548 G CA 0.208 45.300 45.100 -0.013 0.000 0.627 548 G HN 0.701 nan 8.290 nan 0.000 0.522 549 F N 2.694 122.515 119.950 -0.215 0.000 2.438 549 F HA 0.571 5.098 4.527 0.000 0.000 0.356 549 F C 1.000 176.643 175.800 -0.262 0.000 1.099 549 F CA -0.197 57.727 58.000 -0.127 0.000 1.185 549 F CB 0.684 39.672 39.000 -0.021 0.000 1.115 549 F HN 0.058 nan 8.300 nan 0.000 0.526 550 H N 2.891 122.046 119.070 0.141 0.000 2.717 550 H HA 0.455 5.011 4.556 0.000 0.000 0.366 550 H C -1.122 174.270 175.328 0.107 0.000 1.132 550 H CA -0.832 55.286 56.048 0.117 0.000 1.180 550 H CB 2.367 32.163 29.762 0.058 0.000 1.678 550 H HN 0.574 nan 8.280 nan 0.000 0.537 551 Q N 1.693 121.642 119.800 0.248 0.000 2.438 551 Q HA 0.263 4.603 4.340 0.000 0.000 0.272 551 Q C -2.142 173.949 176.000 0.152 0.000 0.994 551 Q CA -0.653 55.254 55.803 0.172 0.000 0.887 551 Q CB 2.808 31.642 28.738 0.159 0.000 1.432 551 Q HN 0.669 nan 8.270 nan 0.000 0.392 552 D N 2.806 123.271 120.400 0.108 0.000 2.629 552 D HA 0.544 5.184 4.640 0.000 0.000 0.250 552 D C -2.311 174.033 176.300 0.073 0.000 1.126 552 D CA -1.404 52.649 54.000 0.089 0.000 0.852 552 D CB 1.555 42.395 40.800 0.065 0.000 1.335 552 D HN 0.334 nan 8.370 nan 0.000 0.518 553 P HA 0.246 nan 4.420 nan 0.000 0.270 553 P C -2.566 174.809 177.300 0.124 0.000 1.223 553 P CA -1.029 62.123 63.100 0.086 0.000 0.785 553 P CB -0.064 31.679 31.700 0.071 0.000 0.923 554 P HA 0.156 nan 4.420 nan 0.000 0.271 554 P C -0.846 176.646 177.300 0.319 0.000 1.216 554 P CA 0.360 63.604 63.100 0.240 0.000 0.776 554 P CB 0.705 32.541 31.700 0.227 0.000 0.881 555 L N 2.576 123.975 121.223 0.294 0.000 2.341 555 L HA 0.465 4.805 4.340 0.000 0.000 0.267 555 L C 0.989 177.847 176.870 -0.019 0.000 1.009 555 L CA -1.389 53.548 54.840 0.161 0.000 0.819 555 L CB 1.596 43.729 42.059 0.122 0.000 1.323 555 L HN 0.289 nan 8.230 nan 0.000 0.425 556 M N 2.221 121.553 119.600 -0.446 0.000 2.240 556 M HA -0.066 4.414 4.480 0.000 0.000 0.346 556 M C -0.026 176.307 176.300 0.056 0.000 1.236 556 M CA 1.283 56.241 55.300 -0.570 0.000 0.986 556 M CB -0.191 32.002 32.600 -0.679 0.000 1.786 556 M HN 0.599 nan 8.290 nan 0.000 0.457 557 F N -2.030 117.975 119.950 0.091 0.000 2.397 557 F HA -0.242 4.286 4.527 0.000 0.000 0.438 557 F C 1.061 176.863 175.800 0.003 0.000 0.555 557 F CA 0.930 58.937 58.000 0.011 0.000 1.561 557 F CB -1.991 36.928 39.000 -0.135 0.000 2.188 557 F HN 0.657 nan 8.300 nan 0.000 0.267 558 T N -1.767 112.935 114.554 0.246 0.000 2.899 558 T HA 0.373 4.724 4.350 0.000 0.000 0.284 558 T C 1.089 175.883 174.700 0.157 0.000 1.004 558 T CA -0.060 62.172 62.100 0.221 0.000 1.043 558 T CB 1.755 70.771 68.868 0.248 0.000 1.013 558 T HN 0.290 nan 8.240 nan 0.000 0.518 559 E N 0.500 120.737 120.200 0.062 0.000 2.204 559 E HA -0.137 4.213 4.350 0.000 0.000 0.194 559 E C 1.816 178.491 176.600 0.125 0.000 0.989 559 E CA 1.045 57.480 56.400 0.059 0.000 0.824 559 E CB 0.005 29.706 29.700 0.001 0.000 0.756 559 E HN 0.709 nan 8.360 nan 0.000 0.477 560 E N 0.140 120.445 120.200 0.175 0.000 2.106 560 E HA -0.165 4.185 4.350 0.000 0.000 0.192 560 E C 1.597 178.286 176.600 0.149 0.000 0.984 560 E CA 0.734 57.233 56.400 0.166 0.000 0.806 560 E CB -0.277 29.533 29.700 0.183 0.000 0.750 560 E HN 0.313 nan 8.360 nan 0.000 0.458 561 Y N 1.172 121.530 120.300 0.096 0.000 2.200 561 Y HA -0.192 4.358 4.550 0.000 0.000 0.290 561 Y C 2.414 178.356 175.900 0.071 0.000 1.137 561 Y CA 1.825 59.986 58.100 0.101 0.000 1.163 561 Y CB 0.042 38.583 38.460 0.135 0.000 0.988 561 Y HN 0.042 nan 8.280 nan 0.000 0.518 562 Q N 0.330 120.246 119.800 0.192 0.000 2.061 562 Q HA -0.245 4.095 4.340 0.000 0.000 0.204 562 Q C 2.131 178.134 176.000 0.006 0.000 0.984 562 Q CA 2.027 57.868 55.803 0.062 0.000 0.846 562 Q CB -0.068 28.673 28.738 0.006 0.000 0.902 562 Q HN 0.437 nan 8.270 nan 0.000 0.421 563 K N -0.342 120.072 120.400 0.023 0.000 2.032 563 K HA -0.132 4.188 4.320 0.000 0.000 0.209 563 K C 2.272 178.858 176.600 -0.024 0.000 1.048 563 K CA 1.707 58.004 56.287 0.016 0.000 0.927 563 K CB -0.086 32.443 32.500 0.048 0.000 0.712 563 K HN 0.094 nan 8.250 nan 0.000 0.441 564 S N 1.468 117.131 115.700 -0.063 0.000 2.371 564 S HA -0.093 4.377 4.470 0.000 0.000 0.224 564 S C 1.907 176.436 174.600 -0.118 0.000 1.029 564 S CA 0.791 58.930 58.200 -0.102 0.000 0.978 564 S CB -0.213 62.894 63.200 -0.156 0.000 0.833 564 S HN 0.254 nan 8.310 nan 0.000 0.466 565 L N 1.092 122.216 121.223 -0.166 0.000 2.012 565 L HA -0.146 4.194 4.340 0.000 0.000 0.210 565 L C 2.004 178.921 176.870 0.080 0.000 1.073 565 L CA 1.295 56.129 54.840 -0.010 0.000 0.748 565 L CB -0.302 41.783 42.059 0.044 0.000 0.891 565 L HN 0.197 nan 8.230 nan 0.000 0.431 566 L N 0.117 121.325 121.223 -0.024 0.000 1.989 566 L HA -0.250 4.090 4.340 0.000 0.000 0.211 566 L C 2.490 179.048 176.870 -0.521 0.000 1.071 566 L CA 1.886 56.601 54.840 -0.209 0.000 0.749 566 L CB -0.934 41.043 42.059 -0.137 0.000 0.890 566 L HN 0.310 nan 8.230 nan 0.000 0.431 567 E N -1.102 118.972 120.200 -0.210 0.000 2.070 567 E HA -0.270 4.080 4.350 0.000 0.000 0.197 567 E C 2.195 178.770 176.600 -0.042 0.000 1.004 567 E CA 1.266 57.620 56.400 -0.076 0.000 0.805 567 E CB -0.085 29.613 29.700 -0.004 0.000 0.744 567 E HN 0.484 nan 8.360 nan 0.000 0.451 568 Q N -0.396 119.386 119.800 -0.029 0.000 2.119 568 Q HA -0.145 4.195 4.340 0.000 0.000 0.201 568 Q C 1.965 177.944 176.000 -0.036 0.000 0.972 568 Q CA 1.248 57.042 55.803 -0.015 0.000 0.847 568 Q CB -0.415 28.318 28.738 -0.008 0.000 0.903 568 Q HN 0.450 nan 8.270 nan 0.000 0.433 569 Y N 0.561 120.782 120.300 -0.131 0.000 2.181 569 Y HA -0.208 4.342 4.550 0.000 0.000 0.288 569 Y C 2.292 178.155 175.900 -0.062 0.000 1.146 569 Y CA 1.638 59.636 58.100 -0.169 0.000 1.164 569 Y CB -0.334 37.856 38.460 -0.451 0.000 0.982 569 Y HN 0.398 nan 8.280 nan 0.000 0.515 570 H N -1.073 118.045 119.070 0.080 0.000 2.353 570 H HA -0.173 4.383 4.556 0.000 0.000 0.300 570 H C 2.194 177.541 175.328 0.031 0.000 1.090 570 H CA 1.198 57.281 56.048 0.057 0.000 1.327 570 H CB -0.277 29.530 29.762 0.074 0.000 1.383 570 H HN 0.261 nan 8.280 nan 0.000 0.508 571 L N 0.047 121.351 121.223 0.134 0.000 2.046 571 L HA -0.134 4.207 4.340 0.000 0.000 0.208 571 L C 2.858 179.753 176.870 0.042 0.000 1.077 571 L CA 1.093 55.970 54.840 0.062 0.000 0.747 571 L CB -0.534 41.544 42.059 0.032 0.000 0.896 571 L HN 0.387 nan 8.230 nan 0.000 0.432 572 G N -0.106 108.717 108.800 0.038 0.000 2.402 572 G HA2 -0.197 3.763 3.960 0.000 0.000 0.216 572 G HA3 -0.197 3.763 3.960 0.000 0.000 0.216 572 G C 1.624 176.612 174.900 0.146 0.000 1.162 572 G CA 0.451 45.593 45.100 0.069 0.000 0.777 572 G HN 0.215 nan 8.290 nan 0.000 0.539 573 L N 0.524 121.842 121.223 0.158 0.000 2.079 573 L HA -0.090 4.250 4.340 0.000 0.000 0.210 573 L C 2.473 179.326 176.870 -0.029 0.000 1.081 573 L CA 1.155 56.059 54.840 0.106 0.000 0.752 573 L CB -0.378 41.777 42.059 0.161 0.000 0.896 573 L HN 0.088 nan 8.230 nan 0.000 0.433 574 D N -0.483 119.909 120.400 -0.013 0.000 2.182 574 D HA -0.188 4.452 4.640 0.000 0.000 0.201 574 D C 2.287 178.525 176.300 -0.104 0.000 0.986 574 D CA 0.922 54.880 54.000 -0.071 0.000 0.847 574 D CB -0.100 40.679 40.800 -0.036 0.000 0.942 574 D HN 0.294 nan 8.370 nan 0.000 0.467 575 Q N -0.274 119.479 119.800 -0.079 0.000 2.369 575 Q HA -0.019 4.321 4.340 0.000 0.000 0.206 575 Q C 1.269 177.153 176.000 -0.193 0.000 0.963 575 Q CA 0.821 56.567 55.803 -0.095 0.000 0.894 575 Q CB 0.370 29.088 28.738 -0.034 0.000 0.965 575 Q HN 0.230 nan 8.270 nan 0.000 0.475 576 K N -0.282 119.936 120.400 -0.303 0.000 2.481 576 K HA 0.115 4.435 4.320 0.000 0.000 0.210 576 K C 1.455 177.752 176.600 -0.504 0.000 1.161 576 K CA 0.040 55.996 56.287 -0.550 0.000 1.023 576 K CB 0.874 32.836 32.500 -0.897 0.000 0.971 576 K HN 0.219 nan 8.250 nan 0.000 0.577 577 R N 0.498 120.796 120.500 -0.337 0.000 2.316 577 R HA 0.080 4.420 4.340 0.000 0.000 0.202 577 R C 0.875 177.005 176.300 -0.284 0.000 1.029 577 R CA 0.818 56.751 56.100 -0.278 0.000 1.018 577 R CB -0.121 29.954 30.300 -0.375 0.000 0.888 577 R HN -0.114 nan 8.270 nan 0.000 0.471 578 R N 0.167 120.514 120.500 -0.254 0.000 2.546 578 R HA 0.254 4.594 4.340 0.000 0.000 0.320 578 R C 0.608 176.816 176.300 -0.154 0.000 1.021 578 R CA -0.027 55.964 56.100 -0.182 0.000 1.088 578 R CB 0.658 30.862 30.300 -0.160 0.000 1.278 578 R HN 0.186 nan 8.270 nan 0.000 0.557 579 K N -1.077 119.184 120.400 -0.232 0.000 2.431 579 K HA 0.147 4.467 4.320 0.000 0.000 0.213 579 K C 0.456 176.962 176.600 -0.156 0.000 1.258 579 K CA 0.492 56.652 56.287 -0.212 0.000 0.845 579 K CB 0.492 32.797 32.500 -0.326 0.000 1.498 579 K HN 0.165 nan 8.250 nan 0.000 0.451 580 Y N -1.651 118.488 120.300 -0.268 0.000 2.795 580 Y HA 0.410 4.960 4.550 0.000 0.000 0.274 580 Y C -0.167 175.626 175.900 -0.177 0.000 1.035 580 Y CA -0.749 57.178 58.100 -0.288 0.000 1.252 580 Y CB 0.387 38.366 38.460 -0.802 0.000 1.399 580 Y HN -0.329 nan 8.280 nan 0.000 0.579 581 V N 3.535 123.247 119.914 -0.338 0.000 2.408 581 V HA 0.181 4.301 4.120 0.000 0.000 0.267 581 V C 0.985 177.119 176.094 0.066 0.000 1.047 581 V CA -0.050 62.133 62.300 -0.195 0.000 0.937 581 V CB 1.290 32.818 31.823 -0.493 0.000 0.999 581 V HN 0.402 nan 8.190 nan 0.000 0.472 582 V N 2.055 122.020 119.914 0.084 0.000 3.427 582 V HA 0.785 4.905 4.120 0.000 0.000 0.305 582 V C 0.561 176.508 176.094 -0.245 0.000 1.412 582 V CA 0.522 62.903 62.300 0.135 0.000 1.086 582 V CB 0.073 32.044 31.823 0.246 0.000 0.964 582 V HN 0.896 nan 8.190 nan 0.000 0.439 583 G N 0.648 109.169 108.800 -0.465 0.000 2.579 583 G HA2 0.595 4.556 3.960 0.000 0.000 0.292 583 G HA3 0.595 4.556 3.960 0.000 0.000 0.292 583 G C -1.714 172.955 174.900 -0.386 0.000 1.484 583 G CA -0.287 44.385 45.100 -0.713 0.000 0.813 583 G HN 0.572 nan 8.290 nan 0.000 0.515 584 E N 0.177 120.206 120.200 -0.285 0.000 2.275 584 E HA 0.667 5.017 4.350 0.000 0.000 0.270 584 E C -1.535 175.144 176.600 0.132 0.000 0.882 584 E CA -1.045 55.388 56.400 0.055 0.000 0.758 584 E CB 2.586 32.425 29.700 0.230 0.000 1.195 584 E HN 0.375 nan 8.360 nan 0.000 0.419 585 L N 4.097 125.447 121.223 0.211 0.000 2.404 585 L HA 0.490 4.830 4.340 0.000 0.000 0.272 585 L C -0.197 176.802 176.870 0.215 0.000 0.980 585 L CA -0.997 53.962 54.840 0.198 0.000 0.836 585 L CB 1.766 43.880 42.059 0.091 0.000 1.238 585 L HN 0.671 nan 8.230 nan 0.000 0.408 586 I N 2.997 123.655 120.570 0.145 0.000 2.634 586 I HA 0.078 4.248 4.170 0.000 0.000 0.284 586 I C -0.572 175.486 176.117 -0.099 0.000 1.124 586 I CA 0.028 61.177 61.300 -0.253 0.000 1.417 586 I CB 1.014 38.873 38.000 -0.235 0.000 1.396 586 I HN 0.671 nan 8.210 nan 0.000 0.571 587 W N 9.125 130.222 121.300 -0.337 0.000 2.314 587 W HA 0.324 4.984 4.660 0.000 0.000 0.310 587 W C -1.060 175.402 176.519 -0.096 0.000 1.075 587 W CA -0.498 56.793 57.345 -0.090 0.000 1.253 587 W CB 1.057 30.558 29.460 0.067 0.000 1.238 587 W HN 0.588 nan 8.180 nan 0.000 0.440 588 N N 3.934 122.451 118.700 -0.305 0.000 2.571 588 N HA 0.148 4.888 4.740 0.000 0.000 0.273 588 N C 0.337 175.732 175.510 -0.192 0.000 1.340 588 N CA -0.558 52.154 53.050 -0.563 0.000 0.789 588 N CB 1.163 39.090 38.487 -0.934 0.000 1.514 588 N HN 0.339 nan 8.380 nan 0.000 0.499 589 F N 1.622 121.418 119.950 -0.256 0.000 2.065 589 F HA 0.052 4.579 4.527 0.000 0.000 0.298 589 F C 0.644 176.492 175.800 0.081 0.000 1.112 589 F CA 1.789 59.760 58.000 -0.048 0.000 1.212 589 F CB 0.035 38.949 39.000 -0.143 0.000 0.975 589 F HN 0.534 nan 8.300 nan 0.000 0.476 590 A N -0.340 122.528 122.820 0.081 0.000 2.572 590 A HA 0.391 4.712 4.320 0.000 0.000 0.295 590 A C -1.357 176.317 177.584 0.151 0.000 1.072 590 A CA -0.872 51.193 52.037 0.048 0.000 0.691 590 A CB 0.463 19.510 19.000 0.079 0.000 1.291 590 A HN 0.097 nan 8.150 nan 0.000 0.404 591 D N 1.148 121.593 120.400 0.076 0.000 2.525 591 D HA 0.410 5.050 4.640 0.000 0.000 0.235 591 D C -0.296 176.096 176.300 0.153 0.000 1.137 591 D CA 1.517 55.543 54.000 0.043 0.000 0.868 591 D CB -0.024 40.765 40.800 -0.019 0.000 1.180 591 D HN 0.470 nan 8.370 nan 0.000 0.465 592 F N -0.565 119.426 119.950 0.069 0.000 2.643 592 F HA 0.550 5.077 4.527 0.000 0.000 0.314 592 F C -0.671 175.204 175.800 0.125 0.000 1.096 592 F CA -1.688 56.367 58.000 0.091 0.000 0.953 592 F CB 0.952 40.007 39.000 0.092 0.000 1.345 592 F HN 0.061 nan 8.300 nan 0.000 0.468 593 M N 2.594 122.390 119.600 0.326 0.000 2.250 593 M HA 0.590 5.070 4.480 0.000 0.000 0.344 593 M C -0.230 176.258 176.300 0.313 0.000 1.150 593 M CA 0.162 55.583 55.300 0.202 0.000 1.147 593 M CB 0.964 33.693 32.600 0.214 0.000 1.498 593 M HN 0.968 nan 8.290 nan 0.000 0.461 594 T N 0.502 115.154 114.554 0.163 0.000 2.838 594 T HA 0.586 4.936 4.350 0.000 0.000 0.292 594 T C -0.318 174.520 174.700 0.230 0.000 1.113 594 T CA -1.117 61.138 62.100 0.259 0.000 1.008 594 T CB 0.868 69.839 68.868 0.172 0.000 1.259 594 T HN 0.549 nan 8.240 nan 0.000 0.520 595 E N 1.004 121.360 120.200 0.259 0.000 2.438 595 E HA 0.083 4.433 4.350 0.000 0.000 0.261 595 E C 0.071 176.724 176.600 0.088 0.000 1.103 595 E CA 0.171 56.699 56.400 0.214 0.000 0.959 595 E CB 0.379 30.108 29.700 0.048 0.000 0.958 595 E HN 0.567 nan 8.360 nan 0.000 0.447 596 Q N 0.575 120.414 119.800 0.066 0.000 2.332 596 Q HA 0.253 4.593 4.340 0.000 0.000 0.263 596 Q C -0.268 175.729 176.000 -0.006 0.000 0.979 596 Q CA 0.128 55.937 55.803 0.010 0.000 0.885 596 Q CB 0.862 29.591 28.738 -0.014 0.000 1.218 596 Q HN 0.537 nan 8.270 nan 0.000 0.405 597 S N 0.754 116.450 115.700 -0.007 0.000 2.595 597 S HA 0.324 4.794 4.470 0.000 0.000 0.270 597 S C -2.617 171.980 174.600 -0.004 0.000 1.145 597 S CA -1.154 57.042 58.200 -0.007 0.000 0.825 597 S CB 0.935 64.133 63.200 -0.004 0.000 1.107 597 S HN 0.322 nan 8.310 nan 0.000 0.461 598 P HA 0.049 nan 4.420 nan 0.000 0.228 598 P C 1.129 178.430 177.300 0.003 0.000 1.151 598 P CA 1.436 64.529 63.100 -0.011 0.000 0.770 598 P CB -0.258 31.434 31.700 -0.012 0.000 0.786 599 T N -4.837 109.738 114.554 0.035 0.000 3.105 599 T HA 0.222 4.572 4.350 0.000 0.000 0.253 599 T C 0.734 175.507 174.700 0.122 0.000 1.047 599 T CA -0.313 61.842 62.100 0.091 0.000 0.944 599 T CB -0.037 68.900 68.868 0.114 0.000 1.016 599 T HN -0.170 nan 8.240 nan 0.000 0.544 600 R N 1.641 122.178 120.500 0.062 0.000 2.412 600 R HA 0.414 4.754 4.340 0.000 0.000 0.304 600 R C -1.234 175.066 176.300 -0.001 0.000 1.066 600 R CA -0.531 55.596 56.100 0.045 0.000 0.923 600 R CB 1.734 32.053 30.300 0.032 0.000 1.156 600 R HN 0.141 nan 8.270 nan 0.000 0.513 601 V N 5.336 125.245 119.914 -0.008 0.000 2.287 601 V HA 0.081 4.201 4.120 0.000 0.000 0.246 601 V C 1.408 177.466 176.094 -0.059 0.000 1.165 601 V CA -0.275 61.989 62.300 -0.060 0.000 1.088 601 V CB -0.441 31.316 31.823 -0.110 0.000 1.242 601 V HN 0.768 nan 8.190 nan 0.000 0.497 602 L N 4.407 125.595 121.223 -0.058 0.000 3.677 602 L HA -0.260 4.081 4.340 0.000 0.000 0.464 602 L C 0.949 177.776 176.870 -0.071 0.000 1.278 602 L CA 0.645 55.447 54.840 -0.064 0.000 0.806 602 L CB -1.497 40.527 42.059 -0.059 0.000 1.610 602 L HN 1.054 nan 8.230 nan 0.000 0.867 603 G N -0.504 108.255 108.800 -0.069 0.000 2.548 603 G HA2 -0.233 3.728 3.960 0.000 0.000 0.208 603 G HA3 -0.233 3.728 3.960 0.000 0.000 0.208 603 G C -0.581 174.218 174.900 -0.168 0.000 1.308 603 G CA 0.028 45.062 45.100 -0.109 0.000 0.924 603 G HN 0.424 nan 8.290 nan 0.000 0.540 604 N N 0.719 119.176 118.700 -0.405 0.000 2.434 604 N HA 0.352 5.092 4.740 0.000 0.000 0.272 604 N C 0.411 175.724 175.510 -0.329 0.000 1.040 604 N CA -0.345 52.456 53.050 -0.416 0.000 0.956 604 N CB 1.000 39.010 38.487 -0.795 0.000 1.108 604 N HN 0.483 nan 8.380 nan 0.000 0.481 605 K N 2.954 123.268 120.400 -0.144 0.000 2.440 605 K HA 0.148 4.468 4.320 0.000 0.000 0.206 605 K C 0.411 176.944 176.600 -0.112 0.000 1.025 605 K CA -0.076 56.150 56.287 -0.102 0.000 1.135 605 K CB 0.506 32.982 32.500 -0.039 0.000 0.856 605 K HN 0.533 nan 8.250 nan 0.000 0.502 606 K N 0.807 121.157 120.400 -0.084 0.000 2.487 606 K HA 0.030 4.350 4.320 0.000 0.000 0.192 606 K C 0.934 177.484 176.600 -0.084 0.000 1.027 606 K CA -0.079 56.158 56.287 -0.084 0.000 1.054 606 K CB 0.226 32.792 32.500 0.110 0.000 0.824 606 K HN 0.114 nan 8.250 nan 0.000 0.510 607 G N 1.825 110.579 108.800 -0.075 0.000 2.414 607 G HA2 0.007 3.967 3.960 0.000 0.000 0.236 607 G HA3 0.007 3.967 3.960 0.000 0.000 0.236 607 G C 0.994 175.790 174.900 -0.173 0.000 1.293 607 G CA -0.321 44.717 45.100 -0.103 0.000 0.869 607 G HN 0.316 nan 8.290 nan 0.000 0.556 608 I N -0.844 119.568 120.570 -0.263 0.000 2.761 608 I HA 0.312 4.482 4.170 0.000 0.000 0.261 608 I C 0.066 175.803 176.117 -0.634 0.000 1.198 608 I CA 0.075 61.122 61.300 -0.421 0.000 1.482 608 I CB -0.087 37.616 38.000 -0.495 0.000 1.100 608 I HN 0.157 nan 8.210 nan 0.000 0.445 609 F N 1.956 121.708 119.950 -0.330 0.000 2.507 609 F HA 0.434 4.962 4.527 0.000 0.000 0.327 609 F C 1.209 176.875 175.800 -0.223 0.000 1.068 609 F CA -0.967 56.832 58.000 -0.336 0.000 0.965 609 F CB 1.373 40.029 39.000 -0.573 0.000 1.192 609 F HN -0.098 nan 8.300 nan 0.000 0.476 610 T N -1.638 112.941 114.554 0.042 0.000 2.748 610 T HA 0.114 4.464 4.350 0.000 0.000 0.304 610 T C 1.274 175.980 174.700 0.010 0.000 1.041 610 T CA -0.516 61.591 62.100 0.012 0.000 1.033 610 T CB 0.713 69.589 68.868 0.013 0.000 0.995 610 T HN 0.757 nan 8.240 nan 0.000 0.536 611 R N -0.006 120.500 120.500 0.011 0.000 2.193 611 R HA -0.088 4.252 4.340 0.000 0.000 0.229 611 R C 1.528 177.824 176.300 -0.007 0.000 1.110 611 R CA 1.260 57.371 56.100 0.018 0.000 0.988 611 R CB -0.185 30.129 30.300 0.024 0.000 0.871 611 R HN 0.666 nan 8.270 nan 0.000 0.458 612 Q N -0.290 119.500 119.800 -0.016 0.000 2.247 612 Q HA 0.140 4.480 4.340 0.000 0.000 0.205 612 Q C -0.484 175.480 176.000 -0.060 0.000 0.896 612 Q CA 0.002 55.786 55.803 -0.033 0.000 0.950 612 Q CB 0.711 29.436 28.738 -0.021 0.000 1.054 612 Q HN 0.053 nan 8.270 nan 0.000 0.482 613 R N 0.070 120.520 120.500 -0.083 0.000 3.532 613 R HA -0.131 4.209 4.340 0.000 0.000 0.284 613 R C -1.014 175.185 176.300 -0.167 0.000 1.140 613 R CA 0.445 56.427 56.100 -0.198 0.000 0.768 613 R CB -1.835 28.340 30.300 -0.208 0.000 1.252 613 R HN 0.173 nan 8.270 nan 0.000 0.454 614 Q N 0.131 119.919 119.800 -0.019 0.000 2.306 614 Q HA 0.500 4.840 4.340 0.000 0.000 0.265 614 Q C -2.307 173.794 176.000 0.169 0.000 1.022 614 Q CA -2.260 53.568 55.803 0.043 0.000 0.853 614 Q CB 1.658 30.408 28.738 0.019 0.000 1.327 614 Q HN -0.044 nan 8.270 nan 0.000 0.449 615 P HA 0.165 nan 4.420 nan 0.000 0.281 615 P C -0.523 176.778 177.300 0.001 0.000 1.252 615 P CA -0.188 62.865 63.100 -0.078 0.000 0.778 615 P CB 1.120 32.644 31.700 -0.294 0.000 0.895 616 K N 1.320 121.665 120.400 -0.092 0.000 2.120 616 K HA 0.192 4.512 4.320 0.000 0.000 0.245 616 K C 1.696 178.365 176.600 0.115 0.000 1.024 616 K CA -0.440 55.854 56.287 0.011 0.000 0.906 616 K CB 0.106 32.577 32.500 -0.049 0.000 1.051 616 K HN 0.295 nan 8.250 nan 0.000 0.491 617 S N 0.753 116.559 115.700 0.177 0.000 2.399 617 S HA -0.182 4.289 4.470 0.000 0.000 0.231 617 S C 1.867 176.602 174.600 0.225 0.000 1.022 617 S CA 1.391 59.755 58.200 0.273 0.000 0.983 617 S CB -0.241 63.071 63.200 0.187 0.000 0.803 617 S HN 0.711 nan 8.310 nan 0.000 0.480 618 A N 1.339 124.208 122.820 0.081 0.000 2.070 618 A HA 0.183 4.503 4.320 0.000 0.000 0.220 618 A C 2.278 179.830 177.584 -0.052 0.000 1.159 618 A CA 1.407 53.456 52.037 0.021 0.000 0.656 618 A CB -0.800 18.181 19.000 -0.030 0.000 0.800 618 A HN 0.501 nan 8.150 nan 0.000 0.453 619 A N -0.758 121.962 122.820 -0.166 0.000 1.933 619 A HA -0.016 4.304 4.320 0.000 0.000 0.218 619 A C 1.892 179.328 177.584 -0.247 0.000 1.175 619 A CA 1.429 53.243 52.037 -0.371 0.000 0.628 619 A CB -0.741 17.820 19.000 -0.732 0.000 0.814 619 A HN 0.493 nan 8.150 nan 0.000 0.444 620 F N -0.754 119.199 119.950 0.006 0.000 2.171 620 F HA -0.111 4.416 4.527 0.000 0.000 0.300 620 F C 2.054 177.824 175.800 -0.050 0.000 1.090 620 F CA 1.252 59.253 58.000 0.003 0.000 1.293 620 F CB -0.447 38.590 39.000 0.062 0.000 1.013 620 F HN 0.264 nan 8.300 nan 0.000 0.486 621 L N -0.203 121.105 121.223 0.142 0.000 1.994 621 L HA -0.188 4.152 4.340 0.000 0.000 0.208 621 L C 2.220 179.098 176.870 0.013 0.000 1.071 621 L CA 1.507 56.400 54.840 0.088 0.000 0.745 621 L CB -0.790 41.332 42.059 0.105 0.000 0.892 621 L HN 0.121 nan 8.230 nan 0.000 0.431 622 L N -0.260 120.923 121.223 -0.067 0.000 2.046 622 L HA -0.200 4.140 4.340 0.000 0.000 0.208 622 L C 2.760 179.379 176.870 -0.418 0.000 1.077 622 L CA 1.901 56.569 54.840 -0.285 0.000 0.747 622 L CB -0.658 41.178 42.059 -0.372 0.000 0.896 622 L HN 0.341 nan 8.230 nan 0.000 0.432 623 R N -0.650 119.695 120.500 -0.258 0.000 2.094 623 R HA -0.201 4.140 4.340 0.000 0.000 0.239 623 R C 2.141 178.473 176.300 0.053 0.000 1.137 623 R CA 1.804 57.821 56.100 -0.139 0.000 0.943 623 R CB -0.220 29.869 30.300 -0.353 0.000 0.850 623 R HN 0.350 nan 8.270 nan 0.000 0.433 624 E N 0.345 120.545 120.200 0.001 0.000 2.085 624 E HA -0.253 4.097 4.350 0.000 0.000 0.194 624 E C 1.987 178.617 176.600 0.050 0.000 0.994 624 E CA 1.340 57.764 56.400 0.040 0.000 0.801 624 E CB -0.315 29.398 29.700 0.021 0.000 0.743 624 E HN 0.399 nan 8.360 nan 0.000 0.453 625 R N -0.248 120.242 120.500 -0.017 0.000 2.070 625 R HA -0.175 4.165 4.340 0.000 0.000 0.233 625 R C 2.309 178.636 176.300 0.044 0.000 1.137 625 R CA 1.321 57.400 56.100 -0.035 0.000 0.945 625 R CB -0.298 29.897 30.300 -0.175 0.000 0.845 625 R HN 0.127 nan 8.270 nan 0.000 0.430 626 Y N -0.667 119.531 120.300 -0.170 0.000 2.224 626 Y HA -0.221 4.329 4.550 0.000 0.000 0.289 626 Y C 1.959 177.567 175.900 -0.487 0.000 1.146 626 Y CA 0.629 58.501 58.100 -0.379 0.000 1.182 626 Y CB -0.918 37.400 38.460 -0.237 0.000 0.983 626 Y HN 0.210 nan 8.280 nan 0.000 0.524 627 W N 0.444 121.696 121.300 -0.080 0.000 2.436 627 W HA -0.068 4.592 4.660 0.000 0.000 0.284 627 W C 2.594 179.028 176.519 -0.142 0.000 1.225 627 W CA 1.504 58.777 57.345 -0.119 0.000 1.271 627 W CB -0.310 29.092 29.460 -0.095 0.000 1.114 627 W HN -0.088 nan 8.180 nan 0.000 0.559 628 K N 0.860 121.307 120.400 0.079 0.000 2.002 628 K HA -0.192 4.128 4.320 0.000 0.000 0.209 628 K C 1.766 178.311 176.600 -0.092 0.000 1.048 628 K CA 1.861 58.146 56.287 -0.004 0.000 0.930 628 K CB -0.551 31.940 32.500 -0.016 0.000 0.714 628 K HN 0.102 nan 8.250 nan 0.000 0.438 629 I N 1.237 121.701 120.570 -0.177 0.000 2.163 629 I HA -0.284 3.886 4.170 0.000 0.000 0.243 629 I C 2.567 178.525 176.117 -0.265 0.000 1.085 629 I CA 1.280 62.421 61.300 -0.265 0.000 1.347 629 I CB -0.473 37.308 38.000 -0.364 0.000 1.044 629 I HN 0.318 nan 8.210 nan 0.000 0.408 630 A N 0.773 123.387 122.820 -0.343 0.000 1.908 630 A HA -0.280 4.040 4.320 0.000 0.000 0.218 630 A C 2.035 179.543 177.584 -0.126 0.000 1.181 630 A CA 2.398 54.295 52.037 -0.233 0.000 0.627 630 A CB -0.805 17.991 19.000 -0.339 0.000 0.818 630 A HN 0.466 nan 8.150 nan 0.000 0.445 631 N N 0.062 118.716 118.700 -0.077 0.000 2.457 631 N HA -0.029 4.711 4.740 0.000 0.000 0.180 631 N C 0.641 176.113 175.510 -0.062 0.000 1.050 631 N CA 0.378 53.405 53.050 -0.038 0.000 0.906 631 N CB -0.211 38.282 38.487 0.010 0.000 0.968 631 N HN 0.647 nan 8.380 nan 0.000 0.445 632 E N 0.000 120.148 120.200 -0.087 0.000 2.725 632 E HA 0.000 4.350 4.350 0.000 0.000 0.291 632 E CA 0.000 56.346 56.400 -0.089 0.000 0.976 632 E CB 0.000 29.629 29.700 -0.118 0.000 0.812 632 E HN 0.000 nan 8.360 nan 0.000 0.440