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 2g5f_1_A DATA FIRST_RESID 15 DATA SEQUENCE SSSIPMPAGV NPADLAAELA AVVTESVDED YLLYECDGQW VLAAGVQAMV DATA SEQUENCE ELDSDELRVI RDGVTRRQQW SGRPGAALGE AVDRLLLETD QAFGWVAFEF DATA SEQUENCE GVHRYGLQQR LAPHTPLARV FSPRTRIMVS EKEIRLFDAG IRHREAIDRL DATA SEQUENCE LATGVREVPQ SRSVDVSDDP SGFRRRVAVA VDEIAAGRYH KVILSRCVEV DATA SEQUENCE PFAIDFPLTY RLGRRHNTPV RSFLLQLGGI RALGYSPELV TAVRADGVVI DATA SEQUENCE TEPLAGTRAL GRGPAIDRLA RDDLESNSKE IVEHAISVRS SLEEITDIAE DATA SEQUENCE PGSAAVIDFM TVRERGSVQH LGSTIRARLD PSSDRMAALE ALFPAVTASG DATA SEQUENCE IPKAAGVEAI FRLDECPRGL YSGAVVMLSA DGGLDAALTL RAAYQVGGRT DATA SEQUENCE WLRAGAGIIE ESEPEREFEE TCEKLSTLTP YLVAR 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 15 S HA 0.000 nan 4.470 nan 0.000 0.327 15 S C 0.000 174.551 174.600 -0.081 0.000 1.055 15 S CA 0.000 58.183 58.200 -0.028 0.000 1.107 15 S CB 0.000 63.214 63.200 0.023 0.000 0.593 16 S N 1.140 116.755 115.700 -0.142 0.000 2.549 16 S HA 0.816 5.286 4.470 -0.000 0.000 0.297 16 S C -0.727 173.788 174.600 -0.142 0.000 1.115 16 S CA -0.153 57.982 58.200 -0.108 0.000 1.059 16 S CB 1.750 64.903 63.200 -0.079 0.000 1.046 16 S HN 0.421 nan 8.310 nan 0.000 0.506 17 S N 2.851 118.496 115.700 -0.090 0.000 2.595 17 S HA 0.778 5.248 4.470 -0.000 0.000 0.281 17 S C -1.509 173.060 174.600 -0.052 0.000 1.117 17 S CA -0.718 57.433 58.200 -0.081 0.000 0.873 17 S CB 0.730 63.893 63.200 -0.062 0.000 1.108 17 S HN 0.684 nan 8.310 nan 0.000 0.477 18 I N 3.328 123.871 120.570 -0.045 0.000 2.500 18 I HA 0.355 4.525 4.170 -0.000 0.000 0.286 18 I C -2.622 173.481 176.117 -0.024 0.000 1.063 18 I CA -2.306 58.975 61.300 -0.032 0.000 1.062 18 I CB 2.457 40.438 38.000 -0.032 0.000 1.223 18 I HN 0.416 nan 8.210 nan 0.000 0.435 19 P HA 0.054 nan 4.420 nan 0.000 0.265 19 P C -0.403 176.888 177.300 -0.014 0.000 1.193 19 P CA -0.260 62.833 63.100 -0.012 0.000 0.765 19 P CB 0.452 32.147 31.700 -0.010 0.000 0.823 20 M N 6.716 126.310 119.600 -0.010 0.000 2.194 20 M HA 0.283 4.763 4.480 -0.000 0.000 0.347 20 M C -2.312 173.978 176.300 -0.017 0.000 1.439 20 M CA -2.305 52.985 55.300 -0.016 0.000 1.131 20 M CB -0.408 32.186 32.600 -0.009 0.000 1.733 20 M HN 0.158 nan 8.290 nan 0.000 0.467 21 P HA 0.141 nan 4.420 nan 0.000 0.270 21 P C 0.123 177.411 177.300 -0.021 0.000 1.227 21 P CA 0.135 63.222 63.100 -0.021 0.000 0.788 21 P CB 0.290 31.974 31.700 -0.026 0.000 0.926 22 A N 1.986 124.795 122.820 -0.018 0.000 1.970 22 A HA -0.252 4.068 4.320 -0.000 0.000 0.227 22 A C 2.096 179.667 177.584 -0.022 0.000 1.568 22 A CA 2.757 54.784 52.037 -0.017 0.000 0.813 22 A CB -1.972 17.018 19.000 -0.017 0.000 0.833 22 A HN 0.639 nan 8.150 nan 0.000 0.492 23 G N -1.766 107.018 108.800 -0.026 0.000 2.688 23 G HA2 0.232 4.192 3.960 -0.000 0.000 0.211 23 G HA3 0.232 4.192 3.960 -0.000 0.000 0.211 23 G C 0.652 175.528 174.900 -0.041 0.000 1.399 23 G CA 1.019 46.099 45.100 -0.032 0.000 0.901 23 G HN 1.280 nan 8.290 nan 0.000 0.555 24 V N 1.641 121.527 119.914 -0.047 0.000 5.698 24 V HA -0.202 3.918 4.120 -0.000 0.000 0.273 24 V C 0.461 176.510 176.094 -0.075 0.000 0.770 24 V CA 0.694 62.957 62.300 -0.061 0.000 0.993 24 V CB -1.674 30.114 31.823 -0.057 0.000 1.119 24 V HN 0.729 nan 8.190 nan 0.000 0.431 25 N N 6.680 125.324 118.700 -0.093 0.000 2.513 25 N HA 0.231 4.971 4.740 -0.000 0.000 0.268 25 N C -0.946 174.449 175.510 -0.191 0.000 1.180 25 N CA -1.487 51.494 53.050 -0.115 0.000 0.948 25 N CB 1.415 39.832 38.487 -0.116 0.000 1.083 25 N HN 0.191 nan 8.380 nan 0.000 0.455 26 P HA -0.145 nan 4.420 nan 0.000 0.215 26 P C 0.596 177.402 177.300 -0.823 0.000 1.153 26 P CA 1.498 64.350 63.100 -0.413 0.000 0.853 26 P CB 0.058 31.593 31.700 -0.275 0.000 0.788 27 A N -0.075 122.191 122.820 -0.923 0.000 1.902 27 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 27 A C 2.018 179.381 177.584 -0.369 0.000 1.181 27 A CA 2.058 53.598 52.037 -0.828 0.000 0.623 27 A CB -1.371 17.475 19.000 -0.255 0.000 0.818 27 A HN 0.120 nan 8.150 nan 0.000 0.443 28 D N -0.475 119.772 120.400 -0.255 0.000 2.117 28 D HA -0.117 4.523 4.640 -0.000 0.000 0.198 28 D C 1.884 178.089 176.300 -0.158 0.000 0.982 28 D CA 1.353 55.265 54.000 -0.146 0.000 0.828 28 D CB -0.358 40.371 40.800 -0.117 0.000 0.967 28 D HN 0.366 nan 8.370 nan 0.000 0.464 29 L N 1.216 122.317 121.223 -0.204 0.000 2.056 29 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 29 L C 2.213 178.963 176.870 -0.199 0.000 1.078 29 L CA 1.629 56.364 54.840 -0.174 0.000 0.749 29 L CB -0.758 41.205 42.059 -0.160 0.000 0.901 29 L HN -0.059 nan 8.230 nan 0.000 0.433 30 A N -0.443 122.196 122.820 -0.301 0.000 1.902 30 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 30 A C 2.404 179.862 177.584 -0.211 0.000 1.181 30 A CA 1.783 53.649 52.037 -0.284 0.000 0.623 30 A CB -1.139 17.549 19.000 -0.521 0.000 0.818 30 A HN 0.562 nan 8.150 nan 0.000 0.443 31 A N -0.938 121.779 122.820 -0.172 0.000 2.066 31 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 31 A C 1.816 179.332 177.584 -0.114 0.000 1.157 31 A CA 1.450 53.429 52.037 -0.096 0.000 0.670 31 A CB -0.202 18.853 19.000 0.092 0.000 0.804 31 A HN 0.418 nan 8.150 nan 0.000 0.453 32 E N -0.441 119.688 120.200 -0.119 0.000 2.400 32 E HA 0.053 4.403 4.350 -0.000 0.000 0.195 32 E C 1.668 178.177 176.600 -0.152 0.000 1.012 32 E CA -0.114 56.218 56.400 -0.113 0.000 0.875 32 E CB -0.128 29.522 29.700 -0.083 0.000 0.859 32 E HN 0.382 nan 8.360 nan 0.000 0.498 33 L N 1.124 122.241 121.223 -0.177 0.000 2.042 33 L HA -0.153 4.186 4.340 -0.000 0.000 0.210 33 L C 2.314 179.036 176.870 -0.246 0.000 1.076 33 L CA 1.677 56.406 54.840 -0.185 0.000 0.749 33 L CB -1.456 40.503 42.059 -0.167 0.000 0.893 33 L HN 0.025 nan 8.230 nan 0.000 0.432 34 A N -0.134 122.466 122.820 -0.367 0.000 1.884 34 A HA -0.285 4.035 4.320 -0.000 0.000 0.219 34 A C 2.509 179.906 177.584 -0.313 0.000 1.197 34 A CA 2.459 54.193 52.037 -0.505 0.000 0.637 34 A CB -0.876 17.432 19.000 -1.154 0.000 0.827 34 A HN 0.459 nan 8.150 nan 0.000 0.450 35 A N -0.546 122.131 122.820 -0.238 0.000 1.978 35 A HA -0.031 4.289 4.320 -0.000 0.000 0.220 35 A C 2.259 179.782 177.584 -0.102 0.000 1.170 35 A CA 2.518 54.478 52.037 -0.128 0.000 0.636 35 A CB -1.036 17.913 19.000 -0.085 0.000 0.810 35 A HN 1.282 nan 8.150 nan 0.000 0.448 36 V N -2.282 117.560 119.914 -0.120 0.000 3.174 36 V HA 0.034 4.154 4.120 -0.000 0.000 0.254 36 V C 2.044 178.066 176.094 -0.120 0.000 1.120 36 V CA 1.206 63.452 62.300 -0.091 0.000 1.114 36 V CB -0.485 31.294 31.823 -0.073 0.000 0.756 36 V HN 0.571 nan 8.190 nan 0.000 0.467 37 V N -2.463 117.312 119.914 -0.232 0.000 3.174 37 V HA 0.213 4.333 4.120 -0.000 0.000 0.254 37 V C 1.321 177.202 176.094 -0.355 0.000 1.120 37 V CA 0.908 62.911 62.300 -0.496 0.000 1.114 37 V CB -1.055 30.367 31.823 -0.669 0.000 0.756 37 V HN 0.413 nan 8.190 nan 0.000 0.467 38 T N 3.322 117.765 114.554 -0.184 0.000 2.736 38 T HA 0.041 4.391 4.350 -0.000 0.000 0.275 38 T C 0.269 174.966 174.700 -0.005 0.000 0.962 38 T CA 0.586 62.641 62.100 -0.075 0.000 1.214 38 T CB -0.446 68.391 68.868 -0.052 0.000 0.904 38 T HN 0.810 nan 8.240 nan 0.000 0.529 39 E N 4.980 125.209 120.200 0.048 0.000 2.271 39 E HA 0.212 4.562 4.350 -0.000 0.000 0.255 39 E C 0.397 177.023 176.600 0.044 0.000 1.177 39 E CA -0.151 56.294 56.400 0.075 0.000 0.946 39 E CB -0.245 29.515 29.700 0.099 0.000 1.009 39 E HN 0.813 nan 8.360 nan 0.000 0.451 40 S N 1.450 117.170 115.700 0.033 0.000 3.568 40 S HA -0.238 4.232 4.470 -0.000 0.000 0.835 40 S C 0.504 175.118 174.600 0.022 0.000 1.288 40 S CA -0.267 57.948 58.200 0.025 0.000 0.971 40 S CB -1.544 61.671 63.200 0.025 0.000 0.503 40 S HN 1.629 nan 8.310 nan 0.000 0.380 41 V N -0.384 119.542 119.914 0.020 0.000 0.725 41 V HA -0.262 3.858 4.120 -0.000 0.000 0.097 41 V C 0.776 176.886 176.094 0.027 0.000 0.766 41 V CA 1.312 63.624 62.300 0.021 0.000 3.094 41 V CB -1.294 30.539 31.823 0.018 0.000 0.229 41 V HN 1.367 nan 8.190 nan 0.000 0.065 42 D N 0.599 121.016 120.400 0.028 0.000 3.139 42 D HA 0.364 5.004 4.640 -0.000 0.000 0.268 42 D C 0.220 176.542 176.300 0.038 0.000 1.322 42 D CA 0.158 54.182 54.000 0.040 0.000 0.940 42 D CB 0.116 40.929 40.800 0.021 0.000 1.050 42 D HN 0.625 nan 8.370 nan 0.000 0.503 43 E N 1.048 121.278 120.200 0.051 0.000 2.465 43 E HA -0.038 4.312 4.350 -0.000 0.000 0.260 43 E C -0.204 176.439 176.600 0.071 0.000 0.980 43 E CA -0.399 56.026 56.400 0.042 0.000 0.927 43 E CB 0.574 30.302 29.700 0.046 0.000 0.934 43 E HN 0.169 nan 8.360 nan 0.000 0.459 44 D N 2.135 122.512 120.400 -0.038 0.000 2.378 44 D HA 0.113 4.753 4.640 -0.000 0.000 0.238 44 D C -0.542 175.732 176.300 -0.043 0.000 1.180 44 D CA 0.874 54.784 54.000 -0.151 0.000 0.895 44 D CB 0.366 40.983 40.800 -0.304 0.000 1.192 44 D HN 0.386 nan 8.370 nan 0.000 0.438 45 Y N -1.715 118.496 120.300 -0.150 0.000 2.741 45 Y HA 0.585 5.135 4.550 0.000 0.000 0.339 45 Y C -2.155 173.781 175.900 0.060 0.000 1.226 45 Y CA -1.360 56.723 58.100 -0.028 0.000 1.072 45 Y CB 1.005 39.451 38.460 -0.023 0.000 1.331 45 Y HN 0.305 nan 8.280 nan 0.000 0.453 46 L N 2.933 124.373 121.223 0.361 0.000 2.505 46 L HA 0.657 4.997 4.340 -0.000 0.000 0.266 46 L C -2.146 174.853 176.870 0.215 0.000 0.954 46 L CA -1.016 53.981 54.840 0.262 0.000 0.852 46 L CB 1.856 44.110 42.059 0.324 0.000 1.282 46 L HN 0.851 nan 8.230 nan 0.000 0.403 47 L N 5.120 126.504 121.223 0.269 0.000 2.287 47 L HA 0.495 4.835 4.340 -0.000 0.000 0.287 47 L C -1.707 175.359 176.870 0.327 0.000 1.022 47 L CA 0.049 55.020 54.840 0.219 0.000 0.814 47 L CB 1.263 43.404 42.059 0.136 0.000 1.217 47 L HN 0.590 nan 8.230 nan 0.000 0.420 48 Y N 4.241 124.635 120.300 0.158 0.000 2.350 48 Y HA 0.443 4.993 4.550 -0.000 0.000 0.338 48 Y C -0.544 175.420 175.900 0.106 0.000 0.961 48 Y CA -0.619 57.590 58.100 0.182 0.000 1.100 48 Y CB 1.378 39.967 38.460 0.215 0.000 1.179 48 Y HN 0.715 nan 8.280 nan 0.000 0.454 49 E N 5.357 125.339 120.200 -0.362 0.000 2.166 49 E HA 0.424 4.774 4.350 -0.000 0.000 0.275 49 E C -1.603 174.598 176.600 -0.665 0.000 0.941 49 E CA -0.664 55.342 56.400 -0.658 0.000 0.784 49 E CB 0.981 30.152 29.700 -0.881 0.000 1.115 49 E HN 0.746 nan 8.360 nan 0.000 0.399 50 C N 3.621 122.622 119.300 -0.498 0.000 2.409 50 C HA 0.380 4.840 4.460 -0.000 0.000 0.297 50 C C 0.042 174.862 174.990 -0.284 0.000 1.083 50 C CA 0.366 59.190 59.018 -0.323 0.000 1.515 50 C CB -0.536 27.120 27.740 -0.139 0.000 1.869 50 C HN 0.981 nan 8.230 nan 0.000 0.413 51 D N 1.489 121.719 120.400 -0.284 0.000 2.735 51 D HA 0.152 4.792 4.640 -0.000 0.000 0.235 51 D C 1.330 177.480 176.300 -0.249 0.000 1.175 51 D CA 1.411 55.281 54.000 -0.216 0.000 0.683 51 D CB -1.592 39.139 40.800 -0.115 0.000 1.008 51 D HN 2.253 nan 8.370 nan 0.000 0.416 52 G N -1.366 107.152 108.800 -0.470 0.000 2.176 52 G HA2 0.002 3.962 3.960 -0.000 0.000 0.253 52 G HA3 0.002 3.962 3.960 -0.000 0.000 0.253 52 G C 0.330 175.052 174.900 -0.296 0.000 0.979 52 G CA 1.054 45.916 45.100 -0.396 0.000 0.641 52 G HN 1.612 nan 8.290 nan 0.000 0.530 53 Q N 0.345 119.917 119.800 -0.380 0.000 2.357 53 Q HA 0.576 4.916 4.340 -0.000 0.000 0.266 53 Q C -0.456 175.466 176.000 -0.130 0.000 1.021 53 Q CA -0.825 54.930 55.803 -0.079 0.000 0.784 53 Q CB 0.524 29.250 28.738 -0.020 0.000 1.243 53 Q HN 0.315 nan 8.270 nan 0.000 0.465 54 W N 3.625 124.970 121.300 0.075 0.000 2.496 54 W HA 0.649 5.309 4.660 -0.000 0.000 0.327 54 W C -0.706 175.876 176.519 0.105 0.000 1.086 54 W CA -0.903 56.493 57.345 0.084 0.000 1.222 54 W CB 1.878 31.380 29.460 0.070 0.000 1.304 54 W HN 0.352 nan 8.180 nan 0.000 0.547 55 V N 6.534 126.644 119.914 0.327 0.000 2.525 55 V HA 0.425 4.545 4.120 -0.000 0.000 0.299 55 V C -1.372 174.784 176.094 0.103 0.000 1.034 55 V CA -0.821 61.618 62.300 0.230 0.000 0.863 55 V CB 1.593 33.580 31.823 0.272 0.000 0.999 55 V HN 0.362 nan 8.190 nan 0.000 0.423 56 L N 7.251 128.505 121.223 0.051 0.000 2.272 56 L HA 0.888 5.228 4.340 -0.000 0.000 0.289 56 L C 0.244 177.042 176.870 -0.120 0.000 1.032 56 L CA 0.115 54.941 54.840 -0.023 0.000 0.810 56 L CB 1.326 43.377 42.059 -0.013 0.000 1.205 56 L HN 0.799 nan 8.230 nan 0.000 0.422 57 A N 5.276 127.950 122.820 -0.243 0.000 2.412 57 A HA 0.816 5.136 4.320 -0.000 0.000 0.334 57 A C -0.099 177.571 177.584 0.144 0.000 1.419 57 A CA -0.088 51.808 52.037 -0.234 0.000 0.930 57 A CB 0.009 18.521 19.000 -0.812 0.000 1.149 57 A HN 0.962 nan 8.150 nan 0.000 0.515 58 A N 2.077 124.975 122.820 0.130 0.000 2.292 58 A HA 0.838 5.158 4.320 -0.000 0.000 0.319 58 A C 0.747 178.434 177.584 0.171 0.000 1.206 58 A CA 0.211 52.335 52.037 0.145 0.000 0.835 58 A CB 0.191 19.194 19.000 0.005 0.000 1.164 58 A HN 2.701 nan 8.150 nan 0.000 0.505 59 G N -0.110 108.775 108.800 0.142 0.000 2.722 59 G HA2 0.164 4.124 3.960 -0.000 0.000 0.686 59 G HA3 0.164 4.124 3.960 -0.000 0.000 0.686 59 G C -0.726 174.252 174.900 0.130 0.000 1.282 59 G CA -0.372 44.788 45.100 0.100 0.000 0.817 59 G HN 1.609 nan 8.290 nan 0.000 0.605 60 V N 2.915 122.853 119.914 0.040 0.000 2.334 60 V HA 0.428 4.548 4.120 -0.000 0.000 0.281 60 V C 1.282 177.443 176.094 0.112 0.000 1.016 60 V CA 0.509 62.851 62.300 0.070 0.000 0.832 60 V CB 1.254 33.010 31.823 -0.113 0.000 0.999 60 V HN 1.000 nan 8.190 nan 0.000 0.439 61 Q N 4.307 124.211 119.800 0.173 0.000 2.089 61 Q HA 0.313 4.653 4.340 -0.000 0.000 0.195 61 Q C 0.671 176.726 176.000 0.091 0.000 0.963 61 Q CA 1.222 57.094 55.803 0.115 0.000 0.834 61 Q CB 0.439 29.245 28.738 0.113 0.000 0.906 61 Q HN 0.867 nan 8.270 nan 0.000 0.452 62 A N 0.637 123.528 122.820 0.118 0.000 2.459 62 A HA 0.612 4.932 4.320 -0.000 0.000 0.296 62 A C -1.467 176.188 177.584 0.120 0.000 1.039 62 A CA -0.689 51.398 52.037 0.083 0.000 0.698 62 A CB 1.537 20.567 19.000 0.051 0.000 1.261 62 A HN 0.319 nan 8.150 nan 0.000 0.405 63 M N 2.941 122.586 119.600 0.075 0.000 2.321 63 M HA 0.659 5.139 4.480 -0.000 0.000 0.315 63 M C -1.810 174.500 176.300 0.016 0.000 1.052 63 M CA -0.508 54.837 55.300 0.076 0.000 0.936 63 M CB 1.798 34.415 32.600 0.028 0.000 1.639 63 M HN 0.379 nan 8.290 nan 0.000 0.433 64 V N 5.042 124.949 119.914 -0.011 0.000 2.370 64 V HA 0.461 4.581 4.120 -0.000 0.000 0.283 64 V C -0.648 175.380 176.094 -0.111 0.000 1.023 64 V CA -0.516 61.742 62.300 -0.070 0.000 0.857 64 V CB 1.434 33.192 31.823 -0.108 0.000 0.985 64 V HN 0.832 nan 8.190 nan 0.000 0.443 65 E N 4.670 124.809 120.200 -0.102 0.000 2.145 65 E HA 0.420 4.770 4.350 -0.000 0.000 0.262 65 E C -1.160 175.357 176.600 -0.137 0.000 0.883 65 E CA -0.802 55.526 56.400 -0.120 0.000 0.748 65 E CB 2.451 32.120 29.700 -0.052 0.000 1.140 65 E HN 0.426 nan 8.360 nan 0.000 0.417 66 L N 3.551 124.645 121.223 -0.215 0.000 2.265 66 L HA 0.406 4.746 4.340 -0.000 0.000 0.289 66 L C -0.909 175.889 176.870 -0.121 0.000 1.033 66 L CA -0.117 54.571 54.840 -0.254 0.000 0.814 66 L CB 0.710 42.519 42.059 -0.417 0.000 1.203 66 L HN 0.343 nan 8.230 nan 0.000 0.423 67 D N 1.192 121.615 120.400 0.037 0.000 2.449 67 D HA 0.362 5.002 4.640 -0.000 0.000 0.250 67 D C 0.972 177.488 176.300 0.360 0.000 1.050 67 D CA 0.251 54.347 54.000 0.161 0.000 1.024 67 D CB 2.059 42.951 40.800 0.154 0.000 1.218 67 D HN 0.583 nan 8.370 nan 0.000 0.566 68 S N -0.396 115.504 115.700 0.332 0.000 2.419 68 S HA -0.193 4.277 4.470 -0.000 0.000 0.233 68 S C 0.698 175.472 174.600 0.290 0.000 1.016 68 S CA 1.327 59.772 58.200 0.407 0.000 0.974 68 S CB -0.228 63.123 63.200 0.253 0.000 0.786 68 S HN 0.542 nan 8.310 nan 0.000 0.492 69 D N -0.625 119.879 120.400 0.174 0.000 2.503 69 D HA 0.376 5.016 4.640 -0.000 0.000 0.218 69 D C 0.097 176.429 176.300 0.052 0.000 1.183 69 D CA -0.361 53.636 54.000 -0.004 0.000 0.827 69 D CB 0.073 40.802 40.800 -0.118 0.000 1.034 69 D HN 0.603 nan 8.370 nan 0.000 0.510 70 E N -0.373 120.006 120.200 0.298 0.000 2.396 70 E HA 0.430 4.780 4.350 -0.000 0.000 0.280 70 E C -2.199 174.607 176.600 0.342 0.000 1.065 70 E CA -1.032 55.540 56.400 0.288 0.000 0.831 70 E CB 1.705 31.475 29.700 0.117 0.000 1.272 70 E HN 0.006 nan 8.360 nan 0.000 0.443 71 L N 2.916 124.293 121.223 0.256 0.000 2.372 71 L HA 0.591 4.931 4.340 -0.000 0.000 0.274 71 L C -1.442 175.453 176.870 0.042 0.000 0.988 71 L CA -0.146 54.735 54.840 0.069 0.000 0.833 71 L CB 1.275 43.348 42.059 0.023 0.000 1.236 71 L HN 0.536 nan 8.230 nan 0.000 0.410 72 R N 3.584 124.087 120.500 0.005 0.000 2.711 72 R HA 0.848 5.188 4.340 -0.000 0.000 0.284 72 R C -1.446 174.846 176.300 -0.014 0.000 0.968 72 R CA -1.030 55.075 56.100 0.009 0.000 0.924 72 R CB 2.543 32.855 30.300 0.022 0.000 1.162 72 R HN 0.429 nan 8.270 nan 0.000 0.465 73 V N 4.449 124.360 119.914 -0.004 0.000 2.409 73 V HA 0.419 4.539 4.120 -0.000 0.000 0.290 73 V C -0.345 175.751 176.094 0.003 0.000 1.017 73 V CA -0.600 61.695 62.300 -0.008 0.000 0.841 73 V CB 1.543 33.360 31.823 -0.010 0.000 1.003 73 V HN 0.598 nan 8.190 nan 0.000 0.426 74 I N 5.195 125.768 120.570 0.006 0.000 2.354 74 I HA 0.614 4.784 4.170 -0.000 0.000 0.292 74 I C 0.047 176.174 176.117 0.015 0.000 0.989 74 I CA -0.485 60.821 61.300 0.010 0.000 1.188 74 I CB 1.482 39.486 38.000 0.007 0.000 1.342 74 I HN 0.497 nan 8.210 nan 0.000 0.457 75 R N 6.051 126.561 120.500 0.016 0.000 2.502 75 R HA 0.206 4.546 4.340 -0.000 0.000 0.300 75 R C -1.032 175.279 176.300 0.018 0.000 0.984 75 R CA -0.444 55.669 56.100 0.020 0.000 0.882 75 R CB 1.000 31.311 30.300 0.019 0.000 1.180 75 R HN 0.676 nan 8.270 nan 0.000 0.444 76 D N 3.726 124.137 120.400 0.020 0.000 2.697 76 D HA -0.200 4.440 4.640 -0.000 0.000 0.235 76 D C 0.750 177.058 176.300 0.014 0.000 1.167 76 D CA 1.816 55.827 54.000 0.017 0.000 0.656 76 D CB -0.851 39.961 40.800 0.019 0.000 1.025 76 D HN 1.101 nan 8.370 nan 0.000 0.419 77 G N -1.953 106.854 108.800 0.011 0.000 2.184 77 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.264 77 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.264 77 G C 0.416 175.323 174.900 0.012 0.000 0.975 77 G CA 0.390 45.496 45.100 0.011 0.000 0.642 77 G HN 0.609 nan 8.290 nan 0.000 0.536 78 V N 1.756 121.678 119.914 0.013 0.000 2.370 78 V HA 0.616 4.736 4.120 -0.000 0.000 0.279 78 V C 0.560 176.662 176.094 0.014 0.000 1.029 78 V CA 0.009 62.317 62.300 0.013 0.000 0.870 78 V CB 1.532 33.363 31.823 0.013 0.000 0.984 78 V HN 0.273 nan 8.190 nan 0.000 0.451 79 T N 4.289 118.852 114.554 0.015 0.000 2.902 79 T HA 0.760 5.110 4.350 -0.000 0.000 0.283 79 T C 0.293 175.003 174.700 0.017 0.000 1.009 79 T CA -0.519 61.591 62.100 0.017 0.000 1.051 79 T CB 1.363 70.244 68.868 0.021 0.000 0.999 79 T HN 0.839 nan 8.240 nan 0.000 0.474 80 R N 2.308 122.818 120.500 0.017 0.000 2.412 80 R HA 0.548 4.888 4.340 -0.000 0.000 0.304 80 R C -0.332 175.982 176.300 0.023 0.000 1.066 80 R CA -0.799 55.311 56.100 0.017 0.000 0.923 80 R CB 0.228 30.535 30.300 0.012 0.000 1.156 80 R HN 0.710 nan 8.270 nan 0.000 0.513 81 R N 1.513 122.030 120.500 0.029 0.000 2.457 81 R HA 0.525 4.865 4.340 -0.000 0.000 0.284 81 R C -0.232 176.093 176.300 0.042 0.000 1.024 81 R CA -0.444 55.680 56.100 0.039 0.000 1.025 81 R CB 1.522 31.847 30.300 0.042 0.000 1.063 81 R HN 0.908 nan 8.270 nan 0.000 0.493 82 Q N 0.883 120.718 119.800 0.059 0.000 2.594 82 Q HA 0.212 4.552 4.340 -0.000 0.000 0.278 82 Q C -1.453 174.608 176.000 0.102 0.000 0.961 82 Q CA -1.158 54.683 55.803 0.064 0.000 0.844 82 Q CB 1.224 29.996 28.738 0.057 0.000 1.475 82 Q HN 0.236 nan 8.270 nan 0.000 0.389 83 Q N 1.582 121.423 119.800 0.069 0.000 2.306 83 Q HA 0.389 4.729 4.340 -0.000 0.000 0.241 83 Q C -0.761 175.312 176.000 0.121 0.000 0.948 83 Q CA 0.000 55.830 55.803 0.044 0.000 0.886 83 Q CB 1.233 29.945 28.738 -0.043 0.000 1.227 83 Q HN 0.745 nan 8.270 nan 0.000 0.457 84 W N 0.002 121.285 121.300 -0.028 0.000 2.882 84 W HA 0.700 5.360 4.660 0.000 0.000 0.345 84 W C -0.949 175.550 176.519 -0.032 0.000 1.125 84 W CA -1.077 56.248 57.345 -0.033 0.000 1.167 84 W CB 0.651 30.086 29.460 -0.042 0.000 1.431 84 W HN 0.613 nan 8.180 nan 0.000 0.543 85 S N 0.545 116.303 115.700 0.097 0.000 2.651 85 S HA 0.885 5.355 4.470 -0.000 0.000 0.279 85 S C -0.005 174.661 174.600 0.110 0.000 1.148 85 S CA -0.036 58.105 58.200 -0.097 0.000 0.837 85 S CB 1.611 64.754 63.200 -0.095 0.000 1.138 85 S HN 2.151 nan 8.310 nan 0.000 0.478 86 G N 1.130 109.945 108.800 0.025 0.000 2.527 86 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.227 86 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.227 86 G C -0.969 174.014 174.900 0.139 0.000 1.291 86 G CA -0.633 44.510 45.100 0.070 0.000 0.904 86 G HN 0.921 nan 8.290 nan 0.000 0.577 87 R N 1.647 122.192 120.500 0.076 0.000 2.441 87 R HA 0.339 4.679 4.340 -0.000 0.000 0.284 87 R C -1.087 175.187 176.300 -0.043 0.000 1.070 87 R CA -1.051 55.048 56.100 -0.002 0.000 1.047 87 R CB 1.353 31.606 30.300 -0.078 0.000 1.016 87 R HN 0.422 nan 8.270 nan 0.000 0.477 88 P HA -0.182 nan 4.420 nan 0.000 0.218 88 P C 1.158 178.276 177.300 -0.304 0.000 1.148 88 P CA 1.502 64.278 63.100 -0.540 0.000 0.822 88 P CB 0.129 31.274 31.700 -0.926 0.000 0.784 89 G N 0.383 109.022 108.800 -0.268 0.000 2.422 89 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 89 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 89 G C 1.814 176.675 174.900 -0.066 0.000 1.146 89 G CA 0.995 46.084 45.100 -0.019 0.000 0.769 89 G HN 0.384 nan 8.290 nan 0.000 0.547 90 A N 1.212 123.980 122.820 -0.087 0.000 1.873 90 A HA 0.343 4.663 4.320 -0.000 0.000 0.215 90 A C 2.837 180.372 177.584 -0.081 0.000 1.186 90 A CA 2.151 54.151 52.037 -0.063 0.000 0.616 90 A CB -0.882 18.100 19.000 -0.030 0.000 0.823 90 A HN 0.739 nan 8.150 nan 0.000 0.442 91 A N -0.520 122.233 122.820 -0.112 0.000 1.883 91 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 91 A C 2.155 179.594 177.584 -0.241 0.000 1.186 91 A CA 1.847 53.781 52.037 -0.172 0.000 0.624 91 A CB -0.671 18.122 19.000 -0.344 0.000 0.822 91 A HN 0.665 nan 8.150 nan 0.000 0.444 92 L N 0.077 121.136 121.223 -0.272 0.000 2.056 92 L HA 0.019 4.359 4.340 -0.000 0.000 0.207 92 L C 2.419 179.173 176.870 -0.194 0.000 1.078 92 L CA 2.279 56.966 54.840 -0.256 0.000 0.749 92 L CB -1.168 40.745 42.059 -0.243 0.000 0.901 92 L HN 0.307 nan 8.230 nan 0.000 0.433 93 G N -1.246 107.465 108.800 -0.148 0.000 2.440 93 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.218 93 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.218 93 G C 1.504 176.337 174.900 -0.113 0.000 1.154 93 G CA 0.915 45.940 45.100 -0.126 0.000 0.767 93 G HN 0.431 nan 8.290 nan 0.000 0.552 94 E N 0.745 120.886 120.200 -0.099 0.000 2.077 94 E HA 0.046 4.396 4.350 -0.000 0.000 0.193 94 E C 2.722 179.269 176.600 -0.088 0.000 0.989 94 E CA 1.337 57.690 56.400 -0.079 0.000 0.800 94 E CB -0.486 29.178 29.700 -0.059 0.000 0.746 94 E HN 0.307 nan 8.360 nan 0.000 0.452 95 A N -0.259 122.494 122.820 -0.111 0.000 1.898 95 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 95 A C 2.456 179.970 177.584 -0.116 0.000 1.181 95 A CA 1.482 53.452 52.037 -0.111 0.000 0.620 95 A CB -0.617 18.299 19.000 -0.139 0.000 0.819 95 A HN 0.181 nan 8.150 nan 0.000 0.442 96 V N 0.645 120.473 119.914 -0.143 0.000 2.427 96 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 96 V C 2.062 178.078 176.094 -0.130 0.000 1.051 96 V CA 2.176 64.384 62.300 -0.152 0.000 1.048 96 V CB -0.846 30.862 31.823 -0.191 0.000 0.666 96 V HN 0.459 nan 8.190 nan 0.000 0.456 97 D N 0.037 120.368 120.400 -0.115 0.000 2.149 97 D HA -0.146 4.494 4.640 -0.000 0.000 0.198 97 D C 2.423 178.675 176.300 -0.081 0.000 0.990 97 D CA 1.175 55.117 54.000 -0.096 0.000 0.839 97 D CB -0.207 40.544 40.800 -0.082 0.000 0.948 97 D HN 0.381 nan 8.370 nan 0.000 0.460 98 R N -0.204 120.251 120.500 -0.074 0.000 2.090 98 R HA 0.078 4.418 4.340 -0.000 0.000 0.228 98 R C 2.457 178.721 176.300 -0.059 0.000 1.110 98 R CA 0.283 56.348 56.100 -0.059 0.000 0.973 98 R CB -0.185 30.085 30.300 -0.050 0.000 0.869 98 R HN 0.203 nan 8.270 nan 0.000 0.440 99 L N 0.680 121.859 121.223 -0.073 0.000 2.046 99 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 99 L C 1.941 178.764 176.870 -0.078 0.000 1.077 99 L CA 1.209 56.008 54.840 -0.070 0.000 0.747 99 L CB -0.203 41.804 42.059 -0.087 0.000 0.896 99 L HN 0.239 nan 8.230 nan 0.000 0.432 100 L N -0.329 120.835 121.223 -0.099 0.000 2.622 100 L HA -0.138 4.202 4.340 -0.000 0.000 0.233 100 L C 1.956 178.779 176.870 -0.078 0.000 1.156 100 L CA 0.171 54.948 54.840 -0.105 0.000 0.866 100 L CB -0.159 41.823 42.059 -0.127 0.000 0.980 100 L HN 0.331 nan 8.230 nan 0.000 0.448 101 L N -0.329 120.857 121.223 -0.061 0.000 2.418 101 L HA -0.080 4.260 4.340 -0.000 0.000 0.218 101 L C 2.145 178.993 176.870 -0.038 0.000 1.125 101 L CA 0.703 55.515 54.840 -0.047 0.000 0.835 101 L CB -0.052 41.983 42.059 -0.039 0.000 0.953 101 L HN 0.419 nan 8.230 nan 0.000 0.454 102 E N -1.722 118.456 120.200 -0.037 0.000 2.526 102 E HA 0.085 4.435 4.350 -0.000 0.000 0.208 102 E C 0.579 177.165 176.600 -0.024 0.000 0.997 102 E CA -0.024 56.362 56.400 -0.023 0.000 0.961 102 E CB 0.749 30.442 29.700 -0.012 0.000 1.030 102 E HN 0.046 nan 8.360 nan 0.000 0.483 103 T N -0.609 113.918 114.554 -0.045 0.000 2.894 103 T HA 0.126 4.476 4.350 -0.000 0.000 0.309 103 T C -0.715 173.933 174.700 -0.086 0.000 1.208 103 T CA -0.623 61.446 62.100 -0.051 0.000 1.016 103 T CB 1.837 70.679 68.868 -0.043 0.000 1.192 103 T HN -0.100 nan 8.240 nan 0.000 0.491 104 D N 1.675 122.018 120.400 -0.096 0.000 2.277 104 D HA 0.109 4.749 4.640 -0.000 0.000 0.208 104 D C 0.402 176.601 176.300 -0.169 0.000 0.962 104 D CA 1.103 55.027 54.000 -0.126 0.000 0.865 104 D CB 0.519 41.233 40.800 -0.144 0.000 0.939 104 D HN 0.512 nan 8.370 nan 0.000 0.510 105 Q N -0.711 118.978 119.800 -0.186 0.000 2.377 105 Q HA 0.665 5.005 4.340 -0.000 0.000 0.279 105 Q C -1.432 174.292 176.000 -0.460 0.000 1.049 105 Q CA -0.688 54.903 55.803 -0.355 0.000 0.825 105 Q CB 3.140 31.667 28.738 -0.351 0.000 1.401 105 Q HN -0.028 nan 8.270 nan 0.000 0.404 106 A N 1.775 124.152 122.820 -0.737 0.000 2.413 106 A HA 0.942 5.262 4.320 -0.000 0.000 0.307 106 A C -1.527 175.419 177.584 -1.062 0.000 1.087 106 A CA -0.383 51.256 52.037 -0.663 0.000 0.750 106 A CB 0.961 19.715 19.000 -0.410 0.000 1.296 106 A HN 0.561 nan 8.150 nan 0.000 0.423 107 F N -0.086 119.494 119.950 -0.617 0.000 2.629 107 F HA 0.834 5.361 4.527 -0.000 0.000 0.316 107 F C 0.783 176.384 175.800 -0.333 0.000 1.081 107 F CA 0.328 58.021 58.000 -0.511 0.000 0.954 107 F CB 2.673 41.361 39.000 -0.520 0.000 1.337 107 F HN 1.118 nan 8.300 nan 0.000 0.474 108 G N -0.131 108.692 108.800 0.038 0.000 2.367 108 G HA2 0.336 4.296 3.960 -0.000 0.000 0.272 108 G HA3 0.336 4.296 3.960 -0.000 0.000 0.272 108 G C -2.510 172.450 174.900 0.099 0.000 1.271 108 G CA -0.744 44.428 45.100 0.120 0.000 0.893 108 G HN 0.921 nan 8.290 nan 0.000 0.485 109 W N -0.606 120.629 121.300 -0.109 0.000 3.083 109 W HA 0.769 5.428 4.660 -0.000 0.000 0.333 109 W C -1.690 174.727 176.519 -0.171 0.000 1.217 109 W CA -1.362 55.895 57.345 -0.147 0.000 1.170 109 W CB 1.169 30.560 29.460 -0.115 0.000 1.437 109 W HN 0.616 nan 8.180 nan 0.000 0.557 110 V N 2.224 122.170 119.914 0.053 0.000 2.487 110 V HA 0.616 4.736 4.120 -0.000 0.000 0.298 110 V C 0.453 176.717 176.094 0.283 0.000 1.028 110 V CA -0.776 61.408 62.300 -0.194 0.000 0.860 110 V CB 0.843 32.309 31.823 -0.595 0.000 0.991 110 V HN 0.776 nan 8.190 nan 0.000 0.427 111 A N 3.257 126.258 122.820 0.301 0.000 2.332 111 A HA 0.512 4.832 4.320 -0.000 0.000 0.258 111 A C 0.728 178.684 177.584 0.620 0.000 1.087 111 A CA -0.176 52.204 52.037 0.572 0.000 0.802 111 A CB 0.084 19.414 19.000 0.550 0.000 1.042 111 A HN 0.921 nan 8.150 nan 0.000 0.489 112 F N 0.830 121.029 119.950 0.414 0.000 2.120 112 F HA -0.202 4.325 4.527 -0.000 0.000 0.300 112 F C 1.752 177.788 175.800 0.393 0.000 1.095 112 F CA 2.592 60.789 58.000 0.328 0.000 1.249 112 F CB -0.105 38.974 39.000 0.132 0.000 0.995 112 F HN 0.713 nan 8.300 nan 0.000 0.480 113 E N -0.190 120.246 120.200 0.394 0.000 2.331 113 E HA -0.216 4.133 4.350 -0.000 0.000 0.199 113 E C 1.797 178.598 176.600 0.336 0.000 1.008 113 E CA 1.008 57.593 56.400 0.309 0.000 0.843 113 E CB -0.864 29.066 29.700 0.383 0.000 0.761 113 E HN 0.593 nan 8.360 nan 0.000 0.507 114 F N -0.059 120.004 119.950 0.188 0.000 2.269 114 F HA -0.014 4.513 4.527 0.000 0.000 0.301 114 F C 1.815 177.682 175.800 0.113 0.000 1.082 114 F CA 1.419 59.456 58.000 0.062 0.000 1.360 114 F CB 0.038 38.929 39.000 -0.183 0.000 1.041 114 F HN 0.028 nan 8.300 nan 0.000 0.512 115 G N -0.501 108.439 108.800 0.233 0.000 3.371 115 G HA2 0.181 4.141 3.960 -0.000 0.000 0.248 115 G HA3 0.181 4.141 3.960 -0.000 0.000 0.248 115 G C 1.211 176.134 174.900 0.038 0.000 1.161 115 G CA 0.585 45.751 45.100 0.110 0.000 0.796 115 G HN 0.404 nan 8.290 nan 0.000 0.539 116 V N -3.021 116.965 119.914 0.120 0.000 2.992 116 V HA 0.092 4.212 4.120 -0.000 0.000 0.250 116 V C 2.127 178.263 176.094 0.070 0.000 1.090 116 V CA 1.061 63.474 62.300 0.187 0.000 1.101 116 V CB -0.785 31.219 31.823 0.301 0.000 0.743 116 V HN 0.249 nan 8.190 nan 0.000 0.468 117 H N 2.709 121.748 119.070 -0.053 0.000 2.352 117 H HA -0.116 4.440 4.556 0.000 0.000 0.299 117 H C 2.390 177.626 175.328 -0.154 0.000 1.097 117 H CA 2.431 58.432 56.048 -0.079 0.000 1.311 117 H CB -0.437 29.272 29.762 -0.089 0.000 1.377 117 H HN 0.603 nan 8.280 nan 0.000 0.504 118 R N 0.017 120.407 120.500 -0.184 0.000 2.293 118 R HA -0.131 4.209 4.340 -0.000 0.000 0.219 118 R C 0.368 176.398 176.300 -0.449 0.000 1.091 118 R CA 1.370 57.240 56.100 -0.384 0.000 1.004 118 R CB -0.255 29.687 30.300 -0.596 0.000 0.865 118 R HN 0.353 nan 8.270 nan 0.000 0.469 119 Y N 0.078 120.391 120.300 0.022 0.000 2.584 119 Y HA 0.385 4.935 4.550 -0.000 0.000 0.254 119 Y C 1.269 177.166 175.900 -0.004 0.000 1.177 119 Y CA -0.640 57.471 58.100 0.018 0.000 1.216 119 Y CB 0.818 39.301 38.460 0.039 0.000 1.172 119 Y HN 0.291 nan 8.280 nan 0.000 0.529 120 G N 1.082 109.919 108.800 0.061 0.000 2.221 120 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.265 120 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.265 120 G C 0.497 175.376 174.900 -0.034 0.000 1.041 120 G CA 0.784 45.886 45.100 0.004 0.000 0.807 120 G HN 0.484 nan 8.290 nan 0.000 0.502 121 L N 0.207 121.405 121.223 -0.041 0.000 2.693 121 L HA 0.134 4.474 4.340 -0.000 0.000 0.235 121 L C 2.665 179.385 176.870 -0.250 0.000 1.127 121 L CA 0.500 55.251 54.840 -0.148 0.000 0.914 121 L CB 0.049 42.064 42.059 -0.072 0.000 1.193 121 L HN 0.454 nan 8.230 nan 0.000 0.502 122 Q N 0.308 119.945 119.800 -0.272 0.000 2.291 122 Q HA -0.244 4.096 4.340 -0.000 0.000 0.206 122 Q C 1.832 177.696 176.000 -0.227 0.000 0.976 122 Q CA 1.889 57.464 55.803 -0.380 0.000 0.875 122 Q CB -0.497 27.786 28.738 -0.758 0.000 0.927 122 Q HN 0.612 nan 8.270 nan 0.000 0.450 123 Q N 1.903 121.587 119.800 -0.194 0.000 2.364 123 Q HA -0.043 4.297 4.340 -0.000 0.000 0.207 123 Q C 1.892 177.802 176.000 -0.150 0.000 0.970 123 Q CA 1.343 57.059 55.803 -0.145 0.000 0.888 123 Q CB -0.695 27.969 28.738 -0.123 0.000 0.951 123 Q HN 0.562 nan 8.270 nan 0.000 0.469 124 R N -0.616 119.738 120.500 -0.243 0.000 2.299 124 R HA 0.256 4.596 4.340 -0.000 0.000 0.197 124 R C 0.194 176.428 176.300 -0.110 0.000 0.971 124 R CA -0.177 55.754 56.100 -0.282 0.000 1.030 124 R CB -0.098 29.792 30.300 -0.684 0.000 0.932 124 R HN 0.420 nan 8.270 nan 0.000 0.477 125 L N 1.395 122.604 121.223 -0.024 0.000 2.380 125 L HA 0.225 4.565 4.340 -0.000 0.000 0.273 125 L C 0.651 177.579 176.870 0.096 0.000 1.138 125 L CA -0.548 54.369 54.840 0.127 0.000 0.832 125 L CB 0.893 43.041 42.059 0.148 0.000 1.124 125 L HN 0.035 nan 8.230 nan 0.000 0.454 126 A N 6.058 128.959 122.820 0.135 0.000 2.346 126 A HA 0.479 4.799 4.320 -0.000 0.000 0.252 126 A C -2.149 175.512 177.584 0.129 0.000 1.089 126 A CA -1.127 50.981 52.037 0.118 0.000 0.797 126 A CB -0.381 18.699 19.000 0.133 0.000 1.047 126 A HN 0.525 nan 8.150 nan 0.000 0.494 127 P HA 0.141 nan 4.420 nan 0.000 0.269 127 P C -0.634 176.803 177.300 0.228 0.000 1.215 127 P CA 0.549 63.703 63.100 0.089 0.000 0.780 127 P CB 0.039 31.798 31.700 0.097 0.000 0.898 128 H N -2.817 116.314 119.070 0.103 0.000 2.992 128 H HA -0.119 4.437 4.556 -0.000 0.000 0.266 128 H C -0.238 175.171 175.328 0.135 0.000 1.200 128 H CA 1.073 57.188 56.048 0.111 0.000 1.135 128 H CB -2.978 26.837 29.762 0.089 0.000 1.282 128 H HN 0.351 nan 8.280 nan 0.000 0.351 129 T N 3.580 118.271 114.554 0.228 0.000 2.799 129 T HA 0.199 4.549 4.350 -0.000 0.000 0.296 129 T C -1.977 172.862 174.700 0.230 0.000 0.947 129 T CA -0.970 61.272 62.100 0.236 0.000 1.141 129 T CB 1.085 70.099 68.868 0.243 0.000 0.891 129 T HN 0.155 nan 8.240 nan 0.000 0.533 130 P HA 0.189 nan 4.420 nan 0.000 0.271 130 P C 0.130 177.513 177.300 0.139 0.000 1.216 130 P CA -0.192 63.003 63.100 0.158 0.000 0.776 130 P CB 1.140 32.969 31.700 0.216 0.000 0.881 131 L N 1.065 122.294 121.223 0.010 0.000 2.624 131 L HA 0.447 4.787 4.340 -0.000 0.000 0.222 131 L C 1.025 177.759 176.870 -0.227 0.000 1.046 131 L CA 0.369 55.236 54.840 0.044 0.000 0.872 131 L CB 0.197 42.326 42.059 0.116 0.000 1.190 131 L HN 0.429 nan 8.230 nan 0.000 0.487 132 A N 0.040 122.590 122.820 -0.449 0.000 2.605 132 A HA 0.784 5.104 4.320 -0.000 0.000 0.294 132 A C -1.398 175.748 177.584 -0.730 0.000 1.062 132 A CA -0.574 51.043 52.037 -0.700 0.000 0.682 132 A CB 1.684 20.321 19.000 -0.605 0.000 1.278 132 A HN -0.014 nan 8.150 nan 0.000 0.410 133 R N 0.704 120.677 120.500 -0.878 0.000 2.518 133 R HA 0.583 4.923 4.340 -0.000 0.000 0.296 133 R C -1.763 174.333 176.300 -0.339 0.000 1.080 133 R CA -0.369 55.386 56.100 -0.577 0.000 0.922 133 R CB 1.477 31.384 30.300 -0.654 0.000 1.184 133 R HN 0.566 nan 8.270 nan 0.000 0.445 134 V N 4.618 124.431 119.914 -0.169 0.000 2.709 134 V HA 0.658 4.778 4.120 -0.000 0.000 0.308 134 V C -0.675 175.470 176.094 0.085 0.000 1.062 134 V CA -0.962 61.290 62.300 -0.079 0.000 0.901 134 V CB 2.153 33.852 31.823 -0.207 0.000 1.003 134 V HN 0.654 nan 8.190 nan 0.000 0.425 135 F N 1.426 121.347 119.950 -0.049 0.000 2.613 135 F HA 0.869 5.396 4.527 -0.000 0.000 0.314 135 F C -0.118 175.708 175.800 0.044 0.000 1.075 135 F CA -0.896 57.100 58.000 -0.005 0.000 0.945 135 F CB 1.878 40.891 39.000 0.020 0.000 1.310 135 F HN 0.412 nan 8.300 nan 0.000 0.467 136 S N 2.421 118.185 115.700 0.107 0.000 2.457 136 S HA 0.646 5.116 4.470 -0.000 0.000 0.289 136 S C -2.827 171.910 174.600 0.229 0.000 1.163 136 S CA -1.408 56.811 58.200 0.031 0.000 1.078 136 S CB 1.117 64.340 63.200 0.037 0.000 0.987 136 S HN 0.643 nan 8.310 nan 0.000 0.482 137 P HA 0.332 nan 4.420 nan 0.000 0.276 137 P C 0.016 177.446 177.300 0.216 0.000 1.244 137 P CA -0.736 62.557 63.100 0.323 0.000 0.801 137 P CB 1.112 32.944 31.700 0.219 0.000 1.006 138 R N -0.229 120.397 120.500 0.209 0.000 2.161 138 R HA 0.085 4.425 4.340 -0.000 0.000 0.213 138 R C 0.741 177.135 176.300 0.157 0.000 1.055 138 R CA 1.188 57.381 56.100 0.155 0.000 0.996 138 R CB -0.125 30.259 30.300 0.140 0.000 0.901 138 R HN 0.671 nan 8.270 nan 0.000 0.456 139 T N -1.992 112.664 114.554 0.170 0.000 2.889 139 T HA 0.511 4.861 4.350 -0.000 0.000 0.315 139 T C -0.872 173.924 174.700 0.160 0.000 1.291 139 T CA -1.020 61.188 62.100 0.181 0.000 1.028 139 T CB 2.700 71.703 68.868 0.225 0.000 1.235 139 T HN -0.060 nan 8.240 nan 0.000 0.491 140 R N 1.233 121.858 120.500 0.208 0.000 2.561 140 R HA 0.734 5.074 4.340 -0.000 0.000 0.297 140 R C -1.048 175.447 176.300 0.326 0.000 0.969 140 R CA -0.817 55.411 56.100 0.214 0.000 0.879 140 R CB 1.875 32.294 30.300 0.198 0.000 1.178 140 R HN 0.662 nan 8.270 nan 0.000 0.445 141 I N 3.755 124.453 120.570 0.213 0.000 2.498 141 I HA 0.379 4.549 4.170 -0.000 0.000 0.290 141 I C -0.368 175.865 176.117 0.193 0.000 1.032 141 I CA -0.673 60.729 61.300 0.171 0.000 1.073 141 I CB 2.193 40.227 38.000 0.056 0.000 1.251 141 I HN 0.403 nan 8.210 nan 0.000 0.426 142 M N 5.846 125.573 119.600 0.213 0.000 2.300 142 M HA 0.606 5.086 4.480 -0.000 0.000 0.348 142 M C -1.018 175.376 176.300 0.158 0.000 1.151 142 M CA -0.846 54.592 55.300 0.231 0.000 1.046 142 M CB 2.348 35.129 32.600 0.302 0.000 1.647 142 M HN 0.225 nan 8.290 nan 0.000 0.451 143 V N 1.895 121.938 119.914 0.215 0.000 2.577 143 V HA 0.669 4.789 4.120 -0.000 0.000 0.303 143 V C -0.452 175.824 176.094 0.303 0.000 1.042 143 V CA -0.524 61.883 62.300 0.179 0.000 0.872 143 V CB 1.925 33.795 31.823 0.079 0.000 0.998 143 V HN 1.040 nan 8.190 nan 0.000 0.423 144 S N 2.159 117.985 115.700 0.210 0.000 2.732 144 S HA 0.737 5.207 4.470 -0.000 0.000 0.293 144 S C 0.828 175.524 174.600 0.159 0.000 1.159 144 S CA 0.159 58.509 58.200 0.250 0.000 0.847 144 S CB 1.863 65.166 63.200 0.172 0.000 1.169 144 S HN 0.924 nan 8.310 nan 0.000 0.501 145 E N -0.213 120.083 120.200 0.160 0.000 2.265 145 E HA 0.030 4.380 4.350 -0.000 0.000 0.196 145 E C 1.966 178.599 176.600 0.055 0.000 0.996 145 E CA 1.834 58.290 56.400 0.094 0.000 0.832 145 E CB -1.425 28.330 29.700 0.093 0.000 0.756 145 E HN 0.941 nan 8.360 nan 0.000 0.491 146 K N 0.378 120.815 120.400 0.061 0.000 2.099 146 K HA 0.240 4.560 4.320 -0.000 0.000 0.203 146 K C 1.235 177.852 176.600 0.028 0.000 1.047 146 K CA 1.369 57.680 56.287 0.040 0.000 0.963 146 K CB 0.093 32.619 32.500 0.043 0.000 0.759 146 K HN 0.812 nan 8.250 nan 0.000 0.451 147 E N -2.074 118.147 120.200 0.036 0.000 2.432 147 E HA 0.549 4.899 4.350 -0.000 0.000 0.279 147 E C -1.516 175.094 176.600 0.017 0.000 1.099 147 E CA -0.902 55.507 56.400 0.016 0.000 0.859 147 E CB 0.961 30.664 29.700 0.006 0.000 1.402 147 E HN 0.068 nan 8.360 nan 0.000 0.451 148 I N 0.212 120.776 120.570 -0.010 0.000 2.362 148 I HA 0.646 4.816 4.170 -0.000 0.000 0.289 148 I C -0.040 176.039 176.117 -0.063 0.000 0.994 148 I CA -0.643 60.644 61.300 -0.021 0.000 1.158 148 I CB 1.481 39.461 38.000 -0.034 0.000 1.315 148 I HN 0.708 nan 8.210 nan 0.000 0.451 149 R N 6.936 127.379 120.500 -0.094 0.000 2.437 149 R HA 0.836 5.176 4.340 -0.000 0.000 0.310 149 R C -1.279 174.764 176.300 -0.429 0.000 0.955 149 R CA -0.512 55.429 56.100 -0.266 0.000 0.851 149 R CB 1.015 31.142 30.300 -0.289 0.000 1.161 149 R HN 0.655 nan 8.270 nan 0.000 0.446 150 L N 2.017 122.969 121.223 -0.450 0.000 2.334 150 L HA 0.784 5.124 4.340 -0.000 0.000 0.275 150 L C -0.830 175.702 176.870 -0.563 0.000 1.036 150 L CA -0.967 53.667 54.840 -0.342 0.000 0.807 150 L CB 1.744 43.733 42.059 -0.116 0.000 1.231 150 L HN 0.626 nan 8.230 nan 0.000 0.438 151 F N -0.285 119.702 119.950 0.061 0.000 2.520 151 F HA 0.515 5.042 4.527 0.000 0.000 0.322 151 F C 0.892 176.720 175.800 0.046 0.000 1.103 151 F CA 0.350 58.381 58.000 0.052 0.000 0.926 151 F CB 1.162 40.197 39.000 0.058 0.000 1.154 151 F HN 0.833 nan 8.300 nan 0.000 0.453 152 D N 1.180 121.714 120.400 0.225 0.000 3.424 152 D HA -0.323 4.317 4.640 -0.000 0.000 0.162 152 D C 1.683 178.030 176.300 0.079 0.000 1.055 152 D CA 2.065 56.142 54.000 0.129 0.000 1.016 152 D CB -1.119 39.755 40.800 0.124 0.000 0.500 152 D HN 1.050 nan 8.370 nan 0.000 0.501 153 A N -0.393 122.464 122.820 0.063 0.000 2.024 153 A HA 0.336 4.656 4.320 -0.000 0.000 0.220 153 A C 2.952 180.531 177.584 -0.009 0.000 1.164 153 A CA 3.059 55.107 52.037 0.018 0.000 0.643 153 A CB -1.211 17.800 19.000 0.019 0.000 0.806 153 A HN 2.033 nan 8.150 nan 0.000 0.451 154 G N -0.169 108.673 108.800 0.071 0.000 2.527 154 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.219 154 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.219 154 G C 1.383 176.315 174.900 0.054 0.000 1.117 154 G CA 1.366 46.544 45.100 0.130 0.000 0.759 154 G HN 0.978 nan 8.290 nan 0.000 0.556 155 I N 1.676 122.251 120.570 0.008 0.000 2.700 155 I HA 0.037 4.207 4.170 -0.000 0.000 0.261 155 I C 2.553 178.640 176.117 -0.049 0.000 1.219 155 I CA 1.992 63.282 61.300 -0.017 0.000 1.463 155 I CB -0.932 37.057 38.000 -0.018 0.000 1.092 155 I HN 0.590 nan 8.210 nan 0.000 0.452 156 R N -1.002 119.421 120.500 -0.129 0.000 2.313 156 R HA -0.033 4.307 4.340 -0.000 0.000 0.199 156 R C 1.364 177.550 176.300 -0.189 0.000 0.958 156 R CA 0.985 56.986 56.100 -0.166 0.000 1.047 156 R CB -0.636 29.542 30.300 -0.203 0.000 0.955 156 R HN 0.711 nan 8.270 nan 0.000 0.481 157 H N 0.217 119.283 119.070 -0.005 0.000 2.539 157 H HA 0.130 4.686 4.556 0.000 0.000 0.269 157 H C 1.341 176.657 175.328 -0.020 0.000 0.980 157 H CA 0.084 56.125 56.048 -0.011 0.000 1.152 157 H CB 0.374 30.131 29.762 -0.009 0.000 1.407 157 H HN 0.146 nan 8.280 nan 0.000 0.564 158 R N 1.921 122.457 120.500 0.060 0.000 2.083 158 R HA -0.179 4.160 4.340 -0.000 0.000 0.237 158 R C 2.427 178.738 176.300 0.018 0.000 1.137 158 R CA 2.232 58.346 56.100 0.024 0.000 0.951 158 R CB -0.577 29.722 30.300 -0.003 0.000 0.851 158 R HN 0.470 nan 8.270 nan 0.000 0.434 159 E N -0.027 120.183 120.200 0.017 0.000 2.051 159 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 159 E C 2.098 178.709 176.600 0.017 0.000 0.991 159 E CA 1.678 58.084 56.400 0.011 0.000 0.799 159 E CB -1.164 28.541 29.700 0.007 0.000 0.748 159 E HN 0.624 nan 8.360 nan 0.000 0.449 160 A N 0.459 123.301 122.820 0.038 0.000 1.902 160 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 160 A C 2.515 180.103 177.584 0.006 0.000 1.181 160 A CA 1.581 53.636 52.037 0.030 0.000 0.623 160 A CB -0.400 18.636 19.000 0.060 0.000 0.818 160 A HN 0.523 nan 8.150 nan 0.000 0.443 161 I N 0.014 120.589 120.570 0.009 0.000 2.252 161 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 161 I C 2.764 178.870 176.117 -0.018 0.000 1.102 161 I CA 1.552 62.843 61.300 -0.015 0.000 1.385 161 I CB -0.906 37.086 38.000 -0.013 0.000 1.064 161 I HN 0.529 nan 8.210 nan 0.000 0.414 162 D N 0.756 121.149 120.400 -0.010 0.000 2.178 162 D HA -0.215 4.425 4.640 -0.000 0.000 0.201 162 D C 2.231 178.522 176.300 -0.014 0.000 0.980 162 D CA 1.312 55.304 54.000 -0.014 0.000 0.842 162 D CB -0.417 40.377 40.800 -0.010 0.000 0.948 162 D HN 0.221 nan 8.370 nan 0.000 0.472 163 R N -0.861 119.632 120.500 -0.011 0.000 2.066 163 R HA 0.028 4.368 4.340 -0.000 0.000 0.232 163 R C 2.251 178.540 176.300 -0.017 0.000 1.131 163 R CA 1.047 57.140 56.100 -0.011 0.000 0.955 163 R CB -0.561 29.735 30.300 -0.006 0.000 0.851 163 R HN 0.388 nan 8.270 nan 0.000 0.432 164 L N 0.461 121.670 121.223 -0.023 0.000 2.017 164 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 164 L C 1.792 178.643 176.870 -0.032 0.000 1.073 164 L CA 1.754 56.575 54.840 -0.031 0.000 0.745 164 L CB -0.427 41.606 42.059 -0.043 0.000 0.894 164 L HN 0.267 nan 8.230 nan 0.000 0.432 165 L N -0.866 120.338 121.223 -0.032 0.000 2.141 165 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 165 L C 2.603 179.457 176.870 -0.026 0.000 1.094 165 L CA 0.947 55.768 54.840 -0.032 0.000 0.763 165 L CB -0.905 41.135 42.059 -0.031 0.000 0.908 165 L HN 0.385 nan 8.230 nan 0.000 0.437 166 A N 0.252 123.059 122.820 -0.022 0.000 1.873 166 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 166 A C 2.445 180.018 177.584 -0.018 0.000 1.186 166 A CA 2.134 54.160 52.037 -0.018 0.000 0.616 166 A CB -0.810 18.182 19.000 -0.015 0.000 0.823 166 A HN 0.480 nan 8.150 nan 0.000 0.442 167 T N -3.808 110.735 114.554 -0.019 0.000 3.043 167 T HA 0.419 4.769 4.350 -0.000 0.000 0.263 167 T C 1.074 175.762 174.700 -0.021 0.000 1.094 167 T CA 1.136 63.225 62.100 -0.018 0.000 1.127 167 T CB -0.491 68.367 68.868 -0.016 0.000 0.905 167 T HN 2.011 nan 8.240 nan 0.000 0.490 168 G N 1.004 109.788 108.800 -0.025 0.000 2.719 168 G HA2 0.078 4.038 3.960 -0.000 0.000 0.686 168 G HA3 0.078 4.038 3.960 -0.000 0.000 0.686 168 G C -0.422 174.459 174.900 -0.032 0.000 1.201 168 G CA -0.619 44.463 45.100 -0.030 0.000 0.768 168 G HN 1.352 nan 8.290 nan 0.000 0.629 169 V N -0.023 119.868 119.914 -0.038 0.000 2.924 169 V HA 0.660 4.780 4.120 -0.000 0.000 0.305 169 V C 1.252 177.328 176.094 -0.029 0.000 1.073 169 V CA -0.596 61.680 62.300 -0.039 0.000 1.098 169 V CB 0.853 32.645 31.823 -0.051 0.000 1.000 169 V HN 0.938 nan 8.190 nan 0.000 0.484 170 R N 2.414 122.900 120.500 -0.023 0.000 2.619 170 R HA 0.091 4.431 4.340 -0.000 0.000 0.268 170 R C 0.542 176.834 176.300 -0.014 0.000 0.990 170 R CA 0.388 56.479 56.100 -0.014 0.000 1.092 170 R CB 0.225 30.521 30.300 -0.006 0.000 0.935 170 R HN 0.996 nan 8.270 nan 0.000 0.415 171 E N 1.076 121.270 120.200 -0.011 0.000 2.349 171 E HA 0.231 4.581 4.350 -0.000 0.000 0.262 171 E C -0.816 175.781 176.600 -0.005 0.000 1.088 171 E CA -0.842 55.551 56.400 -0.012 0.000 0.899 171 E CB 0.948 30.641 29.700 -0.012 0.000 1.044 171 E HN 0.142 nan 8.360 nan 0.000 0.420 172 V N 3.649 123.561 119.914 -0.004 0.000 2.348 172 V HA 0.231 4.351 4.120 -0.000 0.000 0.270 172 V C -1.388 174.711 176.094 0.009 0.000 1.037 172 V CA -1.231 61.073 62.300 0.006 0.000 0.872 172 V CB 0.340 32.166 31.823 0.005 0.000 1.002 172 V HN 0.776 nan 8.190 nan 0.000 0.464 173 P HA 0.242 nan 4.420 nan 0.000 0.277 173 P C -0.420 176.885 177.300 0.008 0.000 1.276 173 P CA -0.674 62.428 63.100 0.003 0.000 0.788 173 P CB 0.844 32.543 31.700 -0.003 0.000 1.114 174 Q N -0.085 119.714 119.800 -0.003 0.000 2.395 174 Q HA 0.190 4.530 4.340 -0.000 0.000 0.271 174 Q C 0.620 176.614 176.000 -0.011 0.000 1.026 174 Q CA -0.074 55.727 55.803 -0.003 0.000 0.900 174 Q CB 0.372 29.098 28.738 -0.019 0.000 1.266 174 Q HN 0.524 nan 8.270 nan 0.000 0.430 175 S N 1.810 117.510 115.700 0.001 0.000 2.645 175 S HA 0.422 4.892 4.470 -0.000 0.000 0.266 175 S C -0.278 174.289 174.600 -0.055 0.000 1.258 175 S CA -0.844 57.355 58.200 -0.002 0.000 0.990 175 S CB 1.393 64.608 63.200 0.026 0.000 0.967 175 S HN 0.632 nan 8.310 nan 0.000 0.556 176 R N 0.665 121.125 120.500 -0.066 0.000 2.437 176 R HA 0.429 4.769 4.340 -0.000 0.000 0.310 176 R C -0.096 176.210 176.300 0.011 0.000 0.955 176 R CA -0.397 55.610 56.100 -0.155 0.000 0.851 176 R CB 1.348 31.303 30.300 -0.575 0.000 1.161 176 R HN 0.945 nan 8.270 nan 0.000 0.446 177 S N 2.080 117.774 115.700 -0.010 0.000 2.584 177 S HA 0.312 4.782 4.470 -0.000 0.000 0.270 177 S C -0.108 174.565 174.600 0.123 0.000 1.346 177 S CA -0.693 57.523 58.200 0.027 0.000 1.018 177 S CB 1.704 64.894 63.200 -0.017 0.000 0.899 177 S HN 0.407 nan 8.310 nan 0.000 0.542 178 V N 0.842 120.803 119.914 0.078 0.000 2.888 178 V HA 0.483 4.603 4.120 -0.000 0.000 0.309 178 V C -1.507 174.602 176.094 0.025 0.000 1.114 178 V CA -0.858 61.493 62.300 0.084 0.000 0.940 178 V CB 2.184 34.035 31.823 0.047 0.000 1.021 178 V HN 1.122 nan 8.190 nan 0.000 0.426 179 D N 3.281 123.699 120.400 0.031 0.000 2.264 179 D HA 0.408 5.048 4.640 -0.000 0.000 0.250 179 D C 0.549 176.857 176.300 0.013 0.000 1.113 179 D CA 0.350 54.362 54.000 0.020 0.000 0.871 179 D CB 1.889 42.709 40.800 0.032 0.000 1.167 179 D HN 0.563 nan 8.370 nan 0.000 0.447 180 V N 1.329 121.244 119.914 0.002 0.000 3.276 180 V HA 0.177 4.297 4.120 -0.000 0.000 0.319 180 V C 1.204 177.326 176.094 0.046 0.000 1.427 180 V CA 0.566 62.856 62.300 -0.017 0.000 1.102 180 V CB -0.244 31.528 31.823 -0.086 0.000 1.020 180 V HN 0.501 nan 8.190 nan 0.000 0.456 181 S N -0.195 115.570 115.700 0.108 0.000 2.496 181 S HA 0.155 4.625 4.470 -0.000 0.000 0.224 181 S C 0.888 175.644 174.600 0.259 0.000 0.996 181 S CA 0.736 59.070 58.200 0.224 0.000 0.927 181 S CB -0.930 62.350 63.200 0.134 0.000 0.774 181 S HN 0.961 nan 8.310 nan 0.000 0.524 182 D N 0.968 121.469 120.400 0.168 0.000 2.362 182 D HA 0.417 5.057 4.640 -0.000 0.000 0.242 182 D C -0.432 175.987 176.300 0.198 0.000 1.132 182 D CA -0.120 53.953 54.000 0.122 0.000 0.907 182 D CB 0.231 41.075 40.800 0.073 0.000 1.195 182 D HN 0.275 nan 8.370 nan 0.000 0.429 183 D N 0.005 120.472 120.400 0.112 0.000 2.739 183 D HA 0.210 4.850 4.640 -0.000 0.000 0.335 183 D C -1.365 174.987 176.300 0.088 0.000 1.216 183 D CA -1.108 52.984 54.000 0.154 0.000 0.808 183 D CB 1.143 41.958 40.800 0.026 0.000 1.121 183 D HN 0.182 nan 8.370 nan 0.000 0.499 184 P HA -0.118 nan 4.420 nan 0.000 0.220 184 P C 0.960 178.285 177.300 0.042 0.000 1.148 184 P CA 0.706 63.830 63.100 0.040 0.000 0.803 184 P CB 0.199 31.914 31.700 0.025 0.000 0.782 185 S N -1.697 114.045 115.700 0.070 0.000 2.575 185 S HA 0.330 4.800 4.470 -0.000 0.000 0.215 185 S C 1.449 176.106 174.600 0.096 0.000 0.966 185 S CA 0.263 58.505 58.200 0.070 0.000 0.911 185 S CB -1.129 62.115 63.200 0.072 0.000 0.780 185 S HN 0.323 nan 8.310 nan 0.000 0.514 186 G N 1.365 110.227 108.800 0.103 0.000 2.295 186 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.287 186 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.287 186 G C 0.125 175.103 174.900 0.129 0.000 1.055 186 G CA 0.278 45.428 45.100 0.084 0.000 0.922 186 G HN 0.550 nan 8.290 nan 0.000 0.503 187 F N 0.639 120.639 119.950 0.084 0.000 2.065 187 F HA -0.183 4.344 4.527 0.000 0.000 0.298 187 F C 2.700 178.562 175.800 0.105 0.000 1.112 187 F CA 2.552 60.626 58.000 0.123 0.000 1.212 187 F CB -0.188 38.960 39.000 0.248 0.000 0.975 187 F HN 0.322 nan 8.300 nan 0.000 0.476 188 R N -0.422 120.150 120.500 0.119 0.000 2.103 188 R HA -0.235 4.105 4.340 -0.000 0.000 0.242 188 R C 2.340 178.575 176.300 -0.109 0.000 1.142 188 R CA 1.783 57.863 56.100 -0.033 0.000 0.960 188 R CB -0.518 29.764 30.300 -0.031 0.000 0.858 188 R HN 0.186 nan 8.270 nan 0.000 0.439 189 R N 1.173 121.631 120.500 -0.069 0.000 2.092 189 R HA -0.040 4.300 4.340 -0.000 0.000 0.231 189 R C 2.050 178.300 176.300 -0.084 0.000 1.119 189 R CA 1.448 57.511 56.100 -0.062 0.000 0.970 189 R CB -0.099 30.182 30.300 -0.032 0.000 0.864 189 R HN 0.118 nan 8.270 nan 0.000 0.440 190 R N -0.655 119.778 120.500 -0.111 0.000 2.115 190 R HA -0.023 4.317 4.340 -0.000 0.000 0.230 190 R C 2.097 178.293 176.300 -0.172 0.000 1.111 190 R CA 1.357 57.388 56.100 -0.114 0.000 0.976 190 R CB -0.234 30.010 30.300 -0.093 0.000 0.870 190 R HN 0.082 nan 8.270 nan 0.000 0.445 191 V N 0.973 120.701 119.914 -0.309 0.000 2.427 191 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 191 V C 2.421 178.434 176.094 -0.135 0.000 1.051 191 V CA 1.860 63.990 62.300 -0.283 0.000 1.048 191 V CB -0.562 31.018 31.823 -0.404 0.000 0.666 191 V HN 0.371 nan 8.190 nan 0.000 0.456 192 A N -0.114 122.639 122.820 -0.111 0.000 1.933 192 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 192 A C 2.381 179.936 177.584 -0.049 0.000 1.175 192 A CA 1.993 53.990 52.037 -0.066 0.000 0.628 192 A CB -0.609 18.358 19.000 -0.054 0.000 0.814 192 A HN 0.343 nan 8.150 nan 0.000 0.444 193 V N -0.189 119.698 119.914 -0.044 0.000 2.343 193 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 193 V C 3.039 179.130 176.094 -0.004 0.000 1.051 193 V CA 1.899 64.187 62.300 -0.020 0.000 1.036 193 V CB -1.228 30.591 31.823 -0.006 0.000 0.654 193 V HN 0.615 nan 8.190 nan 0.000 0.451 194 A N -0.176 122.648 122.820 0.008 0.000 1.877 194 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 194 A C 2.399 179.980 177.584 -0.006 0.000 1.186 194 A CA 1.990 54.070 52.037 0.071 0.000 0.620 194 A CB -0.743 18.315 19.000 0.095 0.000 0.822 194 A HN 0.318 nan 8.150 nan 0.000 0.443 195 V N 0.628 120.523 119.914 -0.031 0.000 2.332 195 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 195 V C 2.189 178.235 176.094 -0.080 0.000 1.055 195 V CA 2.514 64.781 62.300 -0.055 0.000 1.038 195 V CB -0.916 30.880 31.823 -0.045 0.000 0.651 195 V HN 0.519 nan 8.190 nan 0.000 0.450 196 D N -0.277 120.083 120.400 -0.067 0.000 2.117 196 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 196 D C 2.300 178.535 176.300 -0.109 0.000 0.987 196 D CA 1.250 55.208 54.000 -0.070 0.000 0.829 196 D CB -0.151 40.621 40.800 -0.046 0.000 0.961 196 D HN 0.561 nan 8.370 nan 0.000 0.460 197 E N -0.030 120.085 120.200 -0.141 0.000 2.110 197 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 197 E C 2.273 178.620 176.600 -0.421 0.000 0.988 197 E CA 0.519 56.773 56.400 -0.244 0.000 0.804 197 E CB -0.017 29.545 29.700 -0.229 0.000 0.745 197 E HN 0.357 nan 8.360 nan 0.000 0.458 198 I N 1.252 121.554 120.570 -0.446 0.000 2.315 198 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 198 I C 2.551 178.542 176.117 -0.208 0.000 1.117 198 I CA 0.803 61.862 61.300 -0.403 0.000 1.404 198 I CB -0.290 37.557 38.000 -0.255 0.000 1.071 198 I HN 0.055 nan 8.210 nan 0.000 0.419 199 A N 0.696 123.427 122.820 -0.148 0.000 2.019 199 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 199 A C 2.396 179.930 177.584 -0.084 0.000 1.164 199 A CA 1.638 53.621 52.037 -0.091 0.000 0.644 199 A CB -0.559 18.400 19.000 -0.068 0.000 0.805 199 A HN 0.432 nan 8.150 nan 0.000 0.449 200 A N -1.942 120.813 122.820 -0.109 0.000 2.208 200 A HA 0.402 4.722 4.320 -0.000 0.000 0.209 200 A C 1.816 179.350 177.584 -0.084 0.000 1.161 200 A CA 1.240 53.226 52.037 -0.085 0.000 0.782 200 A CB -0.772 18.177 19.000 -0.085 0.000 0.816 200 A HN 1.843 nan 8.150 nan 0.000 0.477 201 G N -0.719 108.012 108.800 -0.114 0.000 2.141 201 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.242 201 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.242 201 G C 0.946 175.796 174.900 -0.082 0.000 0.982 201 G CA 0.530 45.583 45.100 -0.078 0.000 0.662 201 G HN 0.537 nan 8.290 nan 0.000 0.527 202 R N -0.993 119.404 120.500 -0.173 0.000 2.148 202 R HA 0.206 4.546 4.340 -0.000 0.000 0.227 202 R C 0.967 177.293 176.300 0.045 0.000 1.103 202 R CA 1.818 57.862 56.100 -0.094 0.000 0.983 202 R CB -0.133 30.088 30.300 -0.131 0.000 0.874 202 R HN 0.916 nan 8.270 nan 0.000 0.451 203 Y N -6.188 114.132 120.300 0.035 0.000 2.741 203 Y HA 0.222 4.772 4.550 0.000 0.000 0.339 203 Y C 0.439 176.387 175.900 0.080 0.000 1.226 203 Y CA -1.297 56.836 58.100 0.055 0.000 1.072 203 Y CB 0.529 39.013 38.460 0.039 0.000 1.331 203 Y HN -0.193 nan 8.280 nan 0.000 0.453 204 H N 0.694 119.906 119.070 0.238 0.000 2.451 204 H HA 0.387 4.943 4.556 -0.000 0.000 0.294 204 H C -0.173 175.268 175.328 0.189 0.000 1.028 204 H CA 1.376 57.510 56.048 0.145 0.000 1.349 204 H CB 0.562 30.385 29.762 0.101 0.000 1.444 204 H HN 0.583 nan 8.280 nan 0.000 0.538 205 K N -0.053 120.491 120.400 0.240 0.000 2.562 205 K HA 0.474 4.794 4.320 -0.000 0.000 0.267 205 K C -2.186 174.491 176.600 0.129 0.000 0.938 205 K CA -0.845 55.523 56.287 0.136 0.000 0.840 205 K CB 2.283 34.839 32.500 0.093 0.000 1.390 205 K HN -0.004 nan 8.250 nan 0.000 0.428 206 V N 4.325 124.290 119.914 0.084 0.000 2.851 206 V HA 0.497 4.617 4.120 -0.000 0.000 0.307 206 V C -1.655 174.457 176.094 0.031 0.000 1.129 206 V CA -0.853 61.433 62.300 -0.024 0.000 0.932 206 V CB 1.835 33.562 31.823 -0.159 0.000 1.024 206 V HN 0.720 nan 8.190 nan 0.000 0.426 207 I N 7.080 127.666 120.570 0.026 0.000 2.312 207 I HA 0.457 4.627 4.170 -0.000 0.000 0.291 207 I C 0.042 176.204 176.117 0.075 0.000 1.031 207 I CA 0.288 61.629 61.300 0.068 0.000 1.293 207 I CB 1.059 39.097 38.000 0.063 0.000 1.403 207 I HN 0.439 nan 8.210 nan 0.000 0.484 208 L N 5.717 127.024 121.223 0.140 0.000 2.330 208 L HA 0.757 5.097 4.340 -0.000 0.000 0.271 208 L C 0.170 177.259 176.870 0.364 0.000 1.013 208 L CA -0.481 54.468 54.840 0.181 0.000 0.816 208 L CB 1.977 44.092 42.059 0.093 0.000 1.287 208 L HN 0.710 nan 8.230 nan 0.000 0.435 209 S N 1.092 116.976 115.700 0.306 0.000 2.685 209 S HA 0.844 5.314 4.470 -0.000 0.000 0.282 209 S C -1.052 173.602 174.600 0.090 0.000 1.159 209 S CA -1.002 57.288 58.200 0.149 0.000 0.833 209 S CB 2.655 65.824 63.200 -0.051 0.000 1.151 209 S HN 0.769 nan 8.310 nan 0.000 0.485 210 R N -0.773 119.630 120.500 -0.162 0.000 2.698 210 R HA 0.775 5.115 4.340 -0.000 0.000 0.275 210 R C -1.521 174.687 176.300 -0.153 0.000 1.001 210 R CA -0.833 55.199 56.100 -0.114 0.000 0.896 210 R CB 0.741 30.947 30.300 -0.157 0.000 1.218 210 R HN 0.667 nan 8.270 nan 0.000 0.462 211 C N 1.669 120.922 119.300 -0.077 0.000 2.370 211 C HA 0.657 5.117 4.460 -0.000 0.000 0.354 211 C C -0.076 174.918 174.990 0.007 0.000 1.218 211 C CA -0.497 58.518 59.018 -0.005 0.000 2.154 211 C CB 1.226 28.935 27.740 -0.052 0.000 2.391 211 C HN 0.542 nan 8.230 nan 0.000 0.540 212 V N 2.003 121.957 119.914 0.066 0.000 2.407 212 V HA 0.550 4.670 4.120 -0.000 0.000 0.291 212 V C 0.264 176.412 176.094 0.091 0.000 1.018 212 V CA -0.199 62.123 62.300 0.035 0.000 0.842 212 V CB 1.209 33.023 31.823 -0.015 0.000 0.996 212 V HN 1.061 nan 8.190 nan 0.000 0.426 213 E N 3.723 123.958 120.200 0.057 0.000 2.316 213 E HA 0.518 4.868 4.350 -0.000 0.000 0.275 213 E C -0.438 176.160 176.600 -0.003 0.000 1.029 213 E CA -0.326 56.114 56.400 0.067 0.000 0.871 213 E CB 1.489 31.204 29.700 0.024 0.000 1.022 213 E HN 0.579 nan 8.360 nan 0.000 0.418 214 V N 5.626 125.508 119.914 -0.053 0.000 2.364 214 V HA 0.281 4.401 4.120 -0.000 0.000 0.272 214 V C -1.463 174.467 176.094 -0.273 0.000 1.036 214 V CA -1.023 61.108 62.300 -0.281 0.000 0.880 214 V CB 1.549 33.099 31.823 -0.456 0.000 0.991 214 V HN 0.826 nan 8.190 nan 0.000 0.460 215 P HA 0.108 nan 4.420 nan 0.000 0.269 215 P C -0.611 176.780 177.300 0.151 0.000 1.461 215 P CA 0.318 63.428 63.100 0.016 0.000 0.809 215 P CB -0.523 31.243 31.700 0.109 0.000 1.503 216 F N -3.402 116.575 119.950 0.045 0.000 2.708 216 F HA 0.680 5.207 4.527 -0.000 0.000 0.309 216 F C -1.210 174.622 175.800 0.053 0.000 1.120 216 F CA -2.129 55.895 58.000 0.041 0.000 0.978 216 F CB 0.265 39.279 39.000 0.023 0.000 1.283 216 F HN -0.133 nan 8.300 nan 0.000 0.439 217 A N 3.112 126.087 122.820 0.258 0.000 2.462 217 A HA 0.635 4.955 4.320 -0.000 0.000 0.243 217 A C -0.109 177.637 177.584 0.270 0.000 1.076 217 A CA -0.149 52.006 52.037 0.196 0.000 0.773 217 A CB -0.084 19.023 19.000 0.178 0.000 1.010 217 A HN 1.152 nan 8.150 nan 0.000 0.493 218 I N -0.809 119.862 120.570 0.169 0.000 2.797 218 I HA 0.509 4.679 4.170 -0.000 0.000 0.307 218 I C -0.529 175.668 176.117 0.134 0.000 1.033 218 I CA -0.934 60.440 61.300 0.122 0.000 1.071 218 I CB 1.998 39.929 38.000 -0.114 0.000 1.255 218 I HN 0.501 nan 8.210 nan 0.000 0.445 219 D N 3.478 123.939 120.400 0.102 0.000 2.380 219 D HA 0.189 4.829 4.640 -0.000 0.000 0.230 219 D C 0.489 176.856 176.300 0.112 0.000 1.154 219 D CA -0.155 53.935 54.000 0.149 0.000 0.859 219 D CB 0.712 41.577 40.800 0.109 0.000 1.045 219 D HN 0.546 nan 8.370 nan 0.000 0.495 220 F N 4.008 123.995 119.950 0.061 0.000 2.095 220 F HA -0.057 4.470 4.527 -0.000 0.000 0.298 220 F C -0.649 175.212 175.800 0.103 0.000 1.104 220 F CA 0.839 58.873 58.000 0.056 0.000 1.232 220 F CB -1.421 37.594 39.000 0.025 0.000 0.987 220 F HN 0.440 nan 8.300 nan 0.000 0.475 221 P HA -0.156 nan 4.420 nan 0.000 0.215 221 P C 1.965 179.371 177.300 0.178 0.000 1.153 221 P CA 1.478 64.700 63.100 0.204 0.000 0.853 221 P CB -0.043 31.735 31.700 0.131 0.000 0.788 222 L N -1.596 119.701 121.223 0.122 0.000 2.056 222 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 222 L C 2.277 179.193 176.870 0.077 0.000 1.078 222 L CA 1.691 56.580 54.840 0.083 0.000 0.749 222 L CB -1.523 40.573 42.059 0.061 0.000 0.901 222 L HN 0.032 nan 8.230 nan 0.000 0.433 223 T N -1.115 113.474 114.554 0.058 0.000 2.746 223 T HA -0.252 4.098 4.350 -0.000 0.000 0.267 223 T C 1.699 176.449 174.700 0.083 0.000 1.039 223 T CA 1.453 63.572 62.100 0.031 0.000 1.142 223 T CB -0.389 68.415 68.868 -0.108 0.000 0.866 223 T HN 0.315 nan 8.240 nan 0.000 0.444 224 Y N 2.299 122.606 120.300 0.012 0.000 2.128 224 Y HA -0.204 4.346 4.550 -0.000 0.000 0.284 224 Y C 2.467 178.442 175.900 0.124 0.000 1.154 224 Y CA 1.418 59.559 58.100 0.068 0.000 1.149 224 Y CB -0.213 38.268 38.460 0.035 0.000 0.976 224 Y HN 0.028 nan 8.280 nan 0.000 0.505 225 R N -0.523 120.002 120.500 0.042 0.000 2.081 225 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 225 R C 2.160 178.369 176.300 -0.151 0.000 1.131 225 R CA 1.572 57.626 56.100 -0.077 0.000 0.960 225 R CB -0.737 29.572 30.300 0.015 0.000 0.856 225 R HN 0.378 nan 8.270 nan 0.000 0.436 226 L N 0.452 121.631 121.223 -0.073 0.000 2.017 226 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 226 L C 2.135 178.869 176.870 -0.227 0.000 1.073 226 L CA 2.155 56.950 54.840 -0.075 0.000 0.745 226 L CB -1.039 41.056 42.059 0.059 0.000 0.894 226 L HN 0.194 nan 8.230 nan 0.000 0.432 227 G N -1.105 107.579 108.800 -0.193 0.000 2.432 227 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.219 227 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.219 227 G C 1.717 176.188 174.900 -0.715 0.000 1.135 227 G CA 0.725 45.583 45.100 -0.403 0.000 0.767 227 G HN 0.356 nan 8.290 nan 0.000 0.550 228 R N 0.749 120.925 120.500 -0.539 0.000 2.280 228 R HA 0.121 4.461 4.340 -0.000 0.000 0.207 228 R C 2.187 178.239 176.300 -0.414 0.000 1.043 228 R CA 0.533 56.333 56.100 -0.500 0.000 1.006 228 R CB -0.285 29.759 30.300 -0.426 0.000 0.885 228 R HN 0.290 nan 8.270 nan 0.000 0.467 229 R N -1.329 118.878 120.500 -0.489 0.000 2.317 229 R HA 0.099 4.439 4.340 -0.000 0.000 0.208 229 R C 0.492 176.288 176.300 -0.839 0.000 0.914 229 R CA 0.442 56.201 56.100 -0.569 0.000 1.060 229 R CB 0.268 30.223 30.300 -0.575 0.000 1.015 229 R HN 0.383 nan 8.270 nan 0.000 0.498 230 H N -1.169 117.600 119.070 -0.501 0.000 3.360 230 H HA 0.260 4.816 4.556 0.000 0.000 0.262 230 H C -0.396 174.696 175.328 -0.392 0.000 1.149 230 H CA -0.104 55.667 56.048 -0.463 0.000 1.181 230 H CB 0.805 30.116 29.762 -0.751 0.000 1.564 230 H HN 0.079 nan 8.280 nan 0.000 0.565 231 N N 0.764 119.211 118.700 -0.422 0.000 2.258 231 N HA 0.222 4.962 4.740 -0.000 0.000 0.299 231 N C -0.430 174.907 175.510 -0.289 0.000 1.047 231 N CA -0.334 52.480 53.050 -0.393 0.000 0.814 231 N CB 2.217 40.253 38.487 -0.752 0.000 1.413 231 N HN 0.021 nan 8.380 nan 0.000 0.478 232 T N -1.636 112.836 114.554 -0.137 0.000 3.585 232 T HA 0.373 4.723 4.350 -0.000 0.000 0.252 232 T C -2.754 171.940 174.700 -0.010 0.000 1.382 232 T CA -1.680 60.378 62.100 -0.070 0.000 1.584 232 T CB 0.199 69.031 68.868 -0.059 0.000 0.892 232 T HN 0.217 nan 8.240 nan 0.000 0.671 233 P HA 0.186 nan 4.420 nan 0.000 0.274 233 P C 1.575 178.875 177.300 0.001 0.000 1.237 233 P CA -0.491 62.643 63.100 0.058 0.000 0.793 233 P CB 1.443 33.217 31.700 0.122 0.000 0.977 234 V N -1.446 118.462 119.914 -0.010 0.000 2.759 234 V HA 0.034 4.154 4.120 -0.000 0.000 0.256 234 V C 0.873 176.903 176.094 -0.106 0.000 1.080 234 V CA 1.150 63.419 62.300 -0.053 0.000 1.101 234 V CB -1.038 30.765 31.823 -0.033 0.000 0.698 234 V HN 0.406 nan 8.190 nan 0.000 0.477 235 R N 0.698 121.153 120.500 -0.074 0.000 2.725 235 R HA 0.749 5.089 4.340 -0.000 0.000 0.277 235 R C -0.771 175.521 176.300 -0.014 0.000 0.987 235 R CA 0.520 56.534 56.100 -0.144 0.000 0.901 235 R CB 2.171 32.412 30.300 -0.098 0.000 1.207 235 R HN 0.616 nan 8.270 nan 0.000 0.463 236 S N 0.949 116.626 115.700 -0.040 0.000 2.596 236 S HA 0.849 5.319 4.470 -0.000 0.000 0.270 236 S C -1.030 173.720 174.600 0.250 0.000 1.155 236 S CA -0.866 57.432 58.200 0.163 0.000 0.827 236 S CB 1.959 65.351 63.200 0.320 0.000 1.130 236 S HN 0.531 nan 8.310 nan 0.000 0.467 237 F N -0.565 119.459 119.950 0.124 0.000 2.713 237 F HA 0.911 5.438 4.527 -0.000 0.000 0.311 237 F C -2.129 173.629 175.800 -0.070 0.000 1.141 237 F CA -1.242 56.808 58.000 0.083 0.000 0.939 237 F CB 1.294 40.411 39.000 0.196 0.000 1.325 237 F HN 0.770 nan 8.300 nan 0.000 0.453 238 L N 3.748 124.991 121.223 0.033 0.000 2.543 238 L HA 0.826 5.166 4.340 -0.000 0.000 0.265 238 L C -2.048 174.910 176.870 0.145 0.000 0.945 238 L CA -0.568 54.232 54.840 -0.067 0.000 0.869 238 L CB 1.944 43.788 42.059 -0.358 0.000 1.294 238 L HN 1.007 nan 8.230 nan 0.000 0.405 239 L N 1.946 123.195 121.223 0.045 0.000 2.469 239 L HA 0.813 5.153 4.340 -0.000 0.000 0.256 239 L C -1.201 175.357 176.870 -0.520 0.000 1.006 239 L CA -0.559 54.141 54.840 -0.234 0.000 0.832 239 L CB 1.969 44.025 42.059 -0.005 0.000 1.421 239 L HN 0.745 nan 8.230 nan 0.000 0.410 240 Q N 1.589 120.899 119.800 -0.818 0.000 2.444 240 Q HA 0.734 5.074 4.340 -0.000 0.000 0.251 240 Q C -2.244 173.492 176.000 -0.440 0.000 0.939 240 Q CA -0.482 54.947 55.803 -0.623 0.000 0.740 240 Q CB 1.747 30.077 28.738 -0.680 0.000 1.308 240 Q HN 0.804 nan 8.270 nan 0.000 0.461 241 L N 3.290 124.359 121.223 -0.256 0.000 2.476 241 L HA 0.664 5.004 4.340 -0.000 0.000 0.269 241 L C 0.241 177.079 176.870 -0.053 0.000 0.965 241 L CA 0.818 55.560 54.840 -0.165 0.000 0.845 241 L CB 1.980 44.007 42.059 -0.053 0.000 1.259 241 L HN 0.709 nan 8.230 nan 0.000 0.403 242 G N 3.385 112.144 108.800 -0.067 0.000 2.393 242 G HA2 0.074 4.034 3.960 -0.000 0.000 0.299 242 G HA3 0.074 4.034 3.960 -0.000 0.000 0.299 242 G C 1.025 175.930 174.900 0.008 0.000 0.990 242 G CA 0.903 45.998 45.100 -0.008 0.000 1.118 242 G HN 2.087 nan 8.290 nan 0.000 0.513 243 G N -1.705 107.076 108.800 -0.033 0.000 2.179 243 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 243 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 243 G C 0.351 175.225 174.900 -0.044 0.000 0.977 243 G CA 0.512 45.597 45.100 -0.025 0.000 0.641 243 G HN 1.370 nan 8.290 nan 0.000 0.533 244 I N 0.537 121.061 120.570 -0.077 0.000 2.404 244 I HA 0.525 4.695 4.170 -0.000 0.000 0.293 244 I C 0.503 176.460 176.117 -0.266 0.000 0.992 244 I CA -0.864 60.357 61.300 -0.132 0.000 1.149 244 I CB 1.656 39.582 38.000 -0.123 0.000 1.315 244 I HN -0.042 nan 8.210 nan 0.000 0.446 245 R N 4.395 124.650 120.500 -0.408 0.000 2.514 245 R HA 0.884 5.224 4.340 -0.000 0.000 0.301 245 R C -1.050 174.874 176.300 -0.627 0.000 0.962 245 R CA -0.697 54.941 56.100 -0.769 0.000 0.882 245 R CB 2.278 31.701 30.300 -1.461 0.000 1.143 245 R HN 0.773 nan 8.270 nan 0.000 0.452 246 A N 2.729 125.358 122.820 -0.319 0.000 2.604 246 A HA 0.629 4.949 4.320 -0.000 0.000 0.295 246 A C -1.801 175.880 177.584 0.162 0.000 1.067 246 A CA -0.745 51.349 52.037 0.095 0.000 0.683 246 A CB 1.359 20.471 19.000 0.186 0.000 1.281 246 A HN 0.540 nan 8.150 nan 0.000 0.407 247 L N -1.221 119.931 121.223 -0.118 0.000 2.465 247 L HA 1.086 5.426 4.340 -0.000 0.000 0.257 247 L C -0.150 176.025 176.870 -1.158 0.000 0.988 247 L CA -0.036 54.428 54.840 -0.628 0.000 0.827 247 L CB 1.773 43.705 42.059 -0.211 0.000 1.397 247 L HN 1.735 nan 8.230 nan 0.000 0.410 248 G N -0.037 107.722 108.800 -1.735 0.000 2.601 248 G HA2 0.565 4.524 3.960 -0.000 0.000 0.291 248 G HA3 0.565 4.524 3.960 -0.000 0.000 0.291 248 G C -2.479 171.830 174.900 -0.986 0.000 1.456 248 G CA -0.608 43.765 45.100 -1.212 0.000 0.804 248 G HN 0.531 nan 8.290 nan 0.000 0.499 249 Y N 0.541 120.807 120.300 -0.057 0.000 2.338 249 Y HA 0.620 5.170 4.550 -0.000 0.000 0.328 249 Y C 0.261 176.207 175.900 0.077 0.000 0.965 249 Y CA -1.126 56.985 58.100 0.018 0.000 1.208 249 Y CB 2.378 40.830 38.460 -0.013 0.000 1.132 249 Y HN 0.360 nan 8.280 nan 0.000 0.469 250 S N 5.663 121.487 115.700 0.206 0.000 2.601 250 S HA 0.253 4.723 4.470 -0.000 0.000 0.312 250 S C -2.127 172.513 174.600 0.067 0.000 1.107 250 S CA -1.161 57.130 58.200 0.151 0.000 1.129 250 S CB 1.404 64.724 63.200 0.199 0.000 0.982 250 S HN 0.500 nan 8.310 nan 0.000 0.469 251 P HA 0.043 nan 4.420 nan 0.000 0.240 251 P C 0.050 177.275 177.300 -0.125 0.000 1.190 251 P CA 0.373 63.397 63.100 -0.127 0.000 0.781 251 P CB 0.414 31.865 31.700 -0.415 0.000 0.931 252 E N 0.537 120.699 120.200 -0.062 0.000 2.151 252 E HA 0.347 4.697 4.350 -0.000 0.000 0.275 252 E C -0.872 175.743 176.600 0.025 0.000 0.936 252 E CA -0.748 55.635 56.400 -0.028 0.000 0.777 252 E CB 0.798 30.483 29.700 -0.024 0.000 1.108 252 E HN 0.033 nan 8.360 nan 0.000 0.401 253 L N 5.894 127.137 121.223 0.033 0.000 2.261 253 L HA 0.160 4.500 4.340 -0.000 0.000 0.289 253 L C 1.041 177.952 176.870 0.067 0.000 1.059 253 L CA -0.274 54.603 54.840 0.061 0.000 0.816 253 L CB 1.454 43.546 42.059 0.054 0.000 1.191 253 L HN 0.595 nan 8.230 nan 0.000 0.431 254 V N 3.119 123.085 119.914 0.087 0.000 2.488 254 V HA 0.027 4.147 4.120 -0.000 0.000 0.246 254 V C 0.601 176.760 176.094 0.109 0.000 1.046 254 V CA 1.464 63.821 62.300 0.095 0.000 1.053 254 V CB 0.372 32.267 31.823 0.120 0.000 0.679 254 V HN 0.880 nan 8.190 nan 0.000 0.458 255 T N 0.213 114.830 114.554 0.105 0.000 3.097 255 T HA 0.706 5.056 4.350 -0.000 0.000 0.332 255 T C -1.079 173.655 174.700 0.056 0.000 1.269 255 T CA 0.190 62.339 62.100 0.081 0.000 1.076 255 T CB 1.531 70.452 68.868 0.089 0.000 1.209 255 T HN 0.467 nan 8.240 nan 0.000 0.474 256 A N 2.277 125.121 122.820 0.040 0.000 2.381 256 A HA 0.810 5.130 4.320 -0.000 0.000 0.299 256 A C -1.090 176.500 177.584 0.011 0.000 1.049 256 A CA -0.652 51.400 52.037 0.026 0.000 0.715 256 A CB 1.279 20.300 19.000 0.035 0.000 1.222 256 A HN 0.682 nan 8.150 nan 0.000 0.428 257 V N 3.572 123.482 119.914 -0.008 0.000 2.487 257 V HA 0.479 4.599 4.120 -0.000 0.000 0.298 257 V C 0.140 176.221 176.094 -0.022 0.000 1.028 257 V CA -0.643 61.648 62.300 -0.016 0.000 0.860 257 V CB 1.611 33.416 31.823 -0.030 0.000 0.991 257 V HN 0.982 nan 8.190 nan 0.000 0.427 258 R N 2.666 123.157 120.500 -0.016 0.000 2.532 258 R HA 0.605 4.945 4.340 -0.000 0.000 0.272 258 R C 1.350 177.635 176.300 -0.025 0.000 1.032 258 R CA -0.113 55.976 56.100 -0.017 0.000 1.089 258 R CB 1.176 31.472 30.300 -0.008 0.000 1.098 258 R HN 0.786 nan 8.270 nan 0.000 0.526 259 A N 1.517 124.320 122.820 -0.028 0.000 1.978 259 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 259 A C 1.284 178.853 177.584 -0.024 0.000 1.170 259 A CA 2.118 54.136 52.037 -0.031 0.000 0.636 259 A CB -0.591 18.390 19.000 -0.031 0.000 0.810 259 A HN 0.866 nan 8.150 nan 0.000 0.448 260 D N -2.636 117.754 120.400 -0.017 0.000 2.363 260 D HA 0.293 4.933 4.640 -0.000 0.000 0.226 260 D C 1.172 177.464 176.300 -0.013 0.000 1.020 260 D CA 1.037 55.029 54.000 -0.013 0.000 0.892 260 D CB -0.415 40.380 40.800 -0.008 0.000 0.900 260 D HN 0.777 nan 8.370 nan 0.000 0.531 261 G N -0.839 107.952 108.800 -0.015 0.000 2.194 261 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.236 261 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.236 261 G C 0.180 175.075 174.900 -0.008 0.000 0.987 261 G CA 0.020 45.112 45.100 -0.014 0.000 0.635 261 G HN 0.377 nan 8.290 nan 0.000 0.520 262 V N 1.331 121.242 119.914 -0.005 0.000 2.572 262 V HA 0.474 4.594 4.120 -0.000 0.000 0.291 262 V C 0.803 176.898 176.094 0.002 0.000 1.039 262 V CA -0.123 62.177 62.300 0.000 0.000 1.055 262 V CB 1.571 33.396 31.823 0.004 0.000 0.969 262 V HN 0.328 nan 8.190 nan 0.000 0.482 263 V N 6.375 126.293 119.914 0.007 0.000 2.555 263 V HA 0.620 4.740 4.120 -0.000 0.000 0.302 263 V C -0.391 175.715 176.094 0.020 0.000 1.038 263 V CA -0.514 61.792 62.300 0.012 0.000 0.887 263 V CB 1.765 33.594 31.823 0.011 0.000 0.991 263 V HN 0.675 nan 8.190 nan 0.000 0.434 264 I N 2.609 123.195 120.570 0.027 0.000 2.865 264 I HA 0.723 4.893 4.170 -0.000 0.000 0.302 264 I C -0.195 175.949 176.117 0.045 0.000 1.140 264 I CA -0.125 61.196 61.300 0.035 0.000 1.021 264 I CB 2.534 40.555 38.000 0.034 0.000 1.233 264 I HN 0.674 nan 8.210 nan 0.000 0.427 265 T N 3.069 117.654 114.554 0.052 0.000 2.956 265 T HA 0.533 4.883 4.350 -0.000 0.000 0.312 265 T C -1.510 173.230 174.700 0.065 0.000 1.151 265 T CA -0.489 61.647 62.100 0.061 0.000 1.024 265 T CB 1.017 69.924 68.868 0.064 0.000 1.140 265 T HN 0.629 nan 8.240 nan 0.000 0.473 266 E N 4.639 124.879 120.200 0.067 0.000 2.873 266 E HA 0.267 4.617 4.350 -0.000 0.000 0.232 266 E C -2.573 174.078 176.600 0.085 0.000 1.123 266 E CA -1.877 54.568 56.400 0.075 0.000 0.809 266 E CB 1.380 31.114 29.700 0.056 0.000 1.366 266 E HN 0.465 nan 8.360 nan 0.000 0.400 267 P HA -0.012 nan 4.420 nan 0.000 0.267 267 P C -0.458 176.945 177.300 0.173 0.000 1.205 267 P CA -0.398 62.785 63.100 0.140 0.000 0.765 267 P CB 0.894 32.685 31.700 0.153 0.000 0.828 268 L N 3.664 124.938 121.223 0.084 0.000 2.292 268 L HA 0.450 4.790 4.340 -0.000 0.000 0.284 268 L C 1.264 178.129 176.870 -0.008 0.000 1.065 268 L CA -0.136 54.706 54.840 0.004 0.000 0.806 268 L CB 0.894 42.925 42.059 -0.047 0.000 1.175 268 L HN 0.497 nan 8.230 nan 0.000 0.431 269 A N 3.449 126.143 122.820 -0.209 0.000 1.943 269 A HA 0.630 4.950 4.320 -0.000 0.000 0.213 269 A C 0.856 178.392 177.584 -0.081 0.000 1.181 269 A CA 0.938 52.828 52.037 -0.244 0.000 0.653 269 A CB -0.459 18.099 19.000 -0.737 0.000 0.833 269 A HN 0.921 nan 8.150 nan 0.000 0.451 270 G N -3.005 105.759 108.800 -0.059 0.000 2.466 270 G HA2 0.495 4.455 3.960 -0.000 0.000 0.291 270 G HA3 0.495 4.455 3.960 -0.000 0.000 0.291 270 G C -1.258 173.675 174.900 0.054 0.000 1.460 270 G CA 0.096 45.199 45.100 0.005 0.000 0.791 270 G HN 0.213 nan 8.290 nan 0.000 0.505 271 T N 0.494 115.085 114.554 0.062 0.000 2.903 271 T HA 0.838 5.188 4.350 -0.000 0.000 0.299 271 T C -0.739 173.952 174.700 -0.016 0.000 1.093 271 T CA -0.797 61.334 62.100 0.052 0.000 1.002 271 T CB 2.056 71.010 68.868 0.143 0.000 1.127 271 T HN 0.542 nan 8.240 nan 0.000 0.488 272 R N 0.470 120.927 120.500 -0.071 0.000 2.774 272 R HA 0.780 5.120 4.340 -0.000 0.000 0.272 272 R C -0.599 175.651 176.300 -0.084 0.000 1.000 272 R CA -0.896 55.169 56.100 -0.060 0.000 0.906 272 R CB 1.668 31.938 30.300 -0.051 0.000 1.227 272 R HN 0.804 nan 8.270 nan 0.000 0.468 273 A N 1.433 124.218 122.820 -0.058 0.000 2.406 273 A HA 0.451 4.771 4.320 -0.000 0.000 0.243 273 A C -0.490 177.055 177.584 -0.064 0.000 1.082 273 A CA 0.072 52.074 52.037 -0.058 0.000 0.786 273 A CB 0.302 19.280 19.000 -0.037 0.000 1.029 273 A HN 0.475 nan 8.150 nan 0.000 0.495 274 L N 0.033 121.218 121.223 -0.063 0.000 2.415 274 L HA 0.714 5.054 4.340 -0.000 0.000 0.256 274 L C 0.677 177.522 176.870 -0.042 0.000 1.010 274 L CA 1.048 55.853 54.840 -0.058 0.000 0.826 274 L CB 1.947 43.959 42.059 -0.078 0.000 1.405 274 L HN 1.773 nan 8.230 nan 0.000 0.410 275 G N 2.211 110.991 108.800 -0.034 0.000 2.149 275 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.235 275 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.235 275 G C 0.490 175.378 174.900 -0.019 0.000 1.018 275 G CA 0.461 45.546 45.100 -0.025 0.000 0.728 275 G HN 0.616 nan 8.290 nan 0.000 0.508 276 R N 0.025 120.514 120.500 -0.020 0.000 2.633 276 R HA 0.492 4.832 4.340 -0.000 0.000 0.348 276 R C 1.089 177.380 176.300 -0.014 0.000 1.100 276 R CA 0.334 56.425 56.100 -0.016 0.000 1.068 276 R CB 0.512 30.802 30.300 -0.017 0.000 1.351 276 R HN 1.516 nan 8.270 nan 0.000 0.575 277 G N 1.204 109.996 108.800 -0.014 0.000 2.663 277 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.686 277 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.686 277 G C -2.391 172.501 174.900 -0.013 0.000 1.246 277 G CA -1.235 43.858 45.100 -0.013 0.000 0.795 277 G HN -0.101 nan 8.290 nan 0.000 0.627 278 P HA -0.120 nan 4.420 nan 0.000 0.208 278 P C 2.466 179.759 177.300 -0.011 0.000 1.180 278 P CA 3.146 66.239 63.100 -0.012 0.000 0.935 278 P CB -0.095 31.599 31.700 -0.009 0.000 0.785 279 A N -0.433 122.382 122.820 -0.009 0.000 1.896 279 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 279 A C 2.200 179.778 177.584 -0.010 0.000 1.206 279 A CA 2.400 54.432 52.037 -0.009 0.000 0.647 279 A CB -1.830 17.166 19.000 -0.007 0.000 0.828 279 A HN 0.096 nan 8.150 nan 0.000 0.455 280 I N -0.003 120.561 120.570 -0.011 0.000 2.202 280 I HA -0.185 3.985 4.170 -0.000 0.000 0.242 280 I C 1.930 178.037 176.117 -0.016 0.000 1.091 280 I CA 1.810 63.102 61.300 -0.013 0.000 1.368 280 I CB -1.789 36.203 38.000 -0.013 0.000 1.058 280 I HN 0.268 nan 8.210 nan 0.000 0.410 281 D N 0.787 121.176 120.400 -0.018 0.000 2.117 281 D HA -0.184 4.456 4.640 -0.000 0.000 0.197 281 D C 2.297 178.583 176.300 -0.022 0.000 0.987 281 D CA 1.210 55.196 54.000 -0.023 0.000 0.829 281 D CB -0.198 40.587 40.800 -0.025 0.000 0.961 281 D HN 0.440 nan 8.370 nan 0.000 0.460 282 R N 0.427 120.916 120.500 -0.018 0.000 2.115 282 R HA -0.038 4.302 4.340 -0.000 0.000 0.230 282 R C 1.991 178.283 176.300 -0.014 0.000 1.111 282 R CA 0.692 56.782 56.100 -0.016 0.000 0.976 282 R CB -0.546 29.746 30.300 -0.012 0.000 0.870 282 R HN 0.113 nan 8.270 nan 0.000 0.445 283 L N 1.143 122.358 121.223 -0.013 0.000 2.046 283 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 283 L C 2.655 179.517 176.870 -0.013 0.000 1.077 283 L CA 2.094 56.927 54.840 -0.011 0.000 0.747 283 L CB -1.291 40.763 42.059 -0.009 0.000 0.896 283 L HN 0.464 nan 8.230 nan 0.000 0.432 284 A N -0.256 122.553 122.820 -0.018 0.000 1.902 284 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 284 A C 2.452 180.020 177.584 -0.026 0.000 1.181 284 A CA 1.777 53.801 52.037 -0.022 0.000 0.623 284 A CB -0.517 18.466 19.000 -0.028 0.000 0.818 284 A HN 0.396 nan 8.150 nan 0.000 0.443 285 R N 0.360 120.843 120.500 -0.027 0.000 2.075 285 R HA -0.164 4.176 4.340 -0.000 0.000 0.232 285 R C 2.003 178.288 176.300 -0.024 0.000 1.126 285 R CA 1.868 57.950 56.100 -0.030 0.000 0.963 285 R CB -0.377 29.906 30.300 -0.029 0.000 0.858 285 R HN 0.689 nan 8.270 nan 0.000 0.435 286 D N 0.109 120.498 120.400 -0.018 0.000 2.144 286 D HA -0.236 4.404 4.640 -0.000 0.000 0.199 286 D C 1.315 177.608 176.300 -0.012 0.000 0.984 286 D CA 1.775 55.767 54.000 -0.013 0.000 0.834 286 D CB -0.348 40.447 40.800 -0.008 0.000 0.955 286 D HN 0.331 nan 8.370 nan 0.000 0.465 287 D N -0.215 120.178 120.400 -0.012 0.000 2.117 287 D HA -0.153 4.487 4.640 -0.000 0.000 0.198 287 D C 2.249 178.541 176.300 -0.013 0.000 0.982 287 D CA 0.589 54.584 54.000 -0.008 0.000 0.828 287 D CB -0.325 40.471 40.800 -0.006 0.000 0.967 287 D HN 0.197 nan 8.370 nan 0.000 0.464 288 L N 0.795 122.005 121.223 -0.022 0.000 2.083 288 L HA -0.038 4.302 4.340 -0.000 0.000 0.209 288 L C 1.601 178.446 176.870 -0.041 0.000 1.083 288 L CA 1.777 56.598 54.840 -0.032 0.000 0.752 288 L CB -0.404 41.631 42.059 -0.041 0.000 0.899 288 L HN 0.089 nan 8.230 nan 0.000 0.433 289 E N -1.682 118.496 120.200 -0.036 0.000 2.479 289 E HA 0.022 4.372 4.350 -0.000 0.000 0.193 289 E C 1.419 178.005 176.600 -0.024 0.000 1.049 289 E CA 0.693 57.068 56.400 -0.041 0.000 0.870 289 E CB 0.136 29.814 29.700 -0.037 0.000 0.944 289 E HN 0.647 nan 8.360 nan 0.000 0.492 290 S N -0.416 115.276 115.700 -0.012 0.000 2.687 290 S HA 0.025 4.495 4.470 -0.000 0.000 0.247 290 S C 0.577 175.182 174.600 0.008 0.000 1.050 290 S CA -0.549 57.651 58.200 0.000 0.000 1.063 290 S CB -0.019 63.182 63.200 0.003 0.000 1.039 290 S HN 0.013 nan 8.310 nan 0.000 0.580 291 N N 2.770 121.473 118.700 0.005 0.000 2.423 291 N HA 0.125 4.865 4.740 -0.000 0.000 0.275 291 N C 0.641 176.167 175.510 0.026 0.000 1.283 291 N CA 0.324 53.382 53.050 0.014 0.000 0.932 291 N CB 0.637 39.131 38.487 0.011 0.000 1.185 291 N HN 0.314 nan 8.380 nan 0.000 0.483 292 S N 3.631 119.350 115.700 0.032 0.000 2.374 292 S HA -0.166 4.304 4.470 -0.000 0.000 0.227 292 S C 1.798 176.432 174.600 0.056 0.000 1.037 292 S CA 0.966 59.192 58.200 0.044 0.000 1.024 292 S CB -0.047 63.178 63.200 0.042 0.000 0.861 292 S HN 0.621 nan 8.310 nan 0.000 0.456 293 K N 1.435 121.866 120.400 0.052 0.000 2.009 293 K HA -0.146 4.174 4.320 -0.000 0.000 0.210 293 K C 1.884 178.529 176.600 0.075 0.000 1.049 293 K CA 1.694 58.019 56.287 0.063 0.000 0.929 293 K CB -0.404 32.127 32.500 0.051 0.000 0.714 293 K HN 0.478 nan 8.250 nan 0.000 0.440 294 E N 0.311 120.546 120.200 0.059 0.000 2.106 294 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 294 E C 2.268 178.919 176.600 0.085 0.000 0.984 294 E CA 1.037 57.473 56.400 0.060 0.000 0.806 294 E CB -0.118 29.595 29.700 0.022 0.000 0.750 294 E HN 0.337 nan 8.360 nan 0.000 0.458 295 I N 0.899 121.512 120.570 0.071 0.000 2.163 295 I HA -0.271 3.899 4.170 -0.000 0.000 0.243 295 I C 2.431 178.630 176.117 0.137 0.000 1.085 295 I CA 0.956 62.312 61.300 0.094 0.000 1.347 295 I CB -0.309 37.730 38.000 0.065 0.000 1.044 295 I HN -0.013 nan 8.210 nan 0.000 0.408 296 V N 0.565 120.549 119.914 0.117 0.000 2.295 296 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 296 V C 2.492 178.670 176.094 0.140 0.000 1.049 296 V CA 1.754 64.126 62.300 0.121 0.000 1.024 296 V CB -0.669 31.224 31.823 0.117 0.000 0.648 296 V HN 0.395 nan 8.190 nan 0.000 0.447 297 E N -0.631 119.666 120.200 0.162 0.000 2.110 297 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 297 E C 2.129 178.839 176.600 0.184 0.000 0.988 297 E CA 1.304 57.810 56.400 0.178 0.000 0.804 297 E CB -0.491 29.309 29.700 0.167 0.000 0.745 297 E HN 0.763 nan 8.360 nan 0.000 0.458 298 H N 0.065 119.182 119.070 0.079 0.000 2.357 298 H HA 0.006 4.562 4.556 -0.000 0.000 0.301 298 H C 1.879 177.275 175.328 0.113 0.000 1.082 298 H CA 1.215 57.307 56.048 0.074 0.000 1.342 298 H CB 0.344 30.124 29.762 0.030 0.000 1.389 298 H HN 0.140 nan 8.280 nan 0.000 0.511 299 A N 1.362 124.237 122.820 0.092 0.000 1.908 299 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 299 A C 2.560 180.154 177.584 0.017 0.000 1.181 299 A CA 1.505 53.587 52.037 0.075 0.000 0.627 299 A CB -0.771 18.309 19.000 0.134 0.000 0.818 299 A HN 0.459 nan 8.150 nan 0.000 0.445 300 I N -0.311 120.277 120.570 0.031 0.000 2.315 300 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 300 I C 2.601 178.724 176.117 0.011 0.000 1.117 300 I CA 1.402 62.706 61.300 0.007 0.000 1.404 300 I CB -0.280 37.717 38.000 -0.004 0.000 1.071 300 I HN 0.234 nan 8.210 nan 0.000 0.419 301 S N 0.335 116.051 115.700 0.025 0.000 2.368 301 S HA -0.111 4.359 4.470 -0.000 0.000 0.224 301 S C 2.107 176.698 174.600 -0.015 0.000 1.029 301 S CA 0.992 59.209 58.200 0.029 0.000 0.988 301 S CB -0.201 63.046 63.200 0.079 0.000 0.838 301 S HN 0.209 nan 8.310 nan 0.000 0.462 302 V N 1.928 121.785 119.914 -0.096 0.000 2.343 302 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 302 V C 2.507 178.581 176.094 -0.034 0.000 1.051 302 V CA 1.813 64.062 62.300 -0.085 0.000 1.036 302 V CB -0.591 31.162 31.823 -0.116 0.000 0.654 302 V HN 0.386 nan 8.190 nan 0.000 0.451 303 R N -0.035 120.447 120.500 -0.031 0.000 2.081 303 R HA -0.184 4.156 4.340 -0.000 0.000 0.235 303 R C 2.627 178.924 176.300 -0.006 0.000 1.131 303 R CA 1.868 57.954 56.100 -0.024 0.000 0.960 303 R CB -0.452 29.833 30.300 -0.024 0.000 0.856 303 R HN 0.488 nan 8.270 nan 0.000 0.436 304 S N -0.373 115.330 115.700 0.006 0.000 2.356 304 S HA -0.120 4.350 4.470 -0.000 0.000 0.223 304 S C 1.902 176.521 174.600 0.032 0.000 1.032 304 S CA 1.871 60.086 58.200 0.025 0.000 1.005 304 S CB -0.203 63.019 63.200 0.037 0.000 0.867 304 S HN 0.472 nan 8.310 nan 0.000 0.449 305 S N 1.429 117.146 115.700 0.029 0.000 2.382 305 S HA 0.057 4.527 4.470 -0.000 0.000 0.228 305 S C 1.792 176.409 174.600 0.028 0.000 1.027 305 S CA 1.221 59.443 58.200 0.036 0.000 0.991 305 S CB -0.481 62.742 63.200 0.038 0.000 0.823 305 S HN 0.455 nan 8.310 nan 0.000 0.469 306 L N 1.305 122.536 121.223 0.013 0.000 2.046 306 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 306 L C 2.556 179.431 176.870 0.009 0.000 1.077 306 L CA 1.324 56.167 54.840 0.005 0.000 0.747 306 L CB -0.542 41.509 42.059 -0.013 0.000 0.896 306 L HN 0.368 nan 8.230 nan 0.000 0.432 307 E N -0.154 120.054 120.200 0.012 0.000 2.072 307 E HA -0.228 4.122 4.350 -0.000 0.000 0.191 307 E C 2.030 178.645 176.600 0.025 0.000 0.985 307 E CA 1.233 57.643 56.400 0.016 0.000 0.801 307 E CB -0.092 29.619 29.700 0.020 0.000 0.750 307 E HN 0.549 nan 8.360 nan 0.000 0.452 308 E N 0.666 120.888 120.200 0.036 0.000 2.051 308 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 308 E C 2.129 178.749 176.600 0.034 0.000 0.991 308 E CA 0.774 57.200 56.400 0.043 0.000 0.799 308 E CB -0.105 29.632 29.700 0.061 0.000 0.748 308 E HN 0.119 nan 8.360 nan 0.000 0.449 309 I N 1.102 121.690 120.570 0.031 0.000 2.394 309 I HA -0.204 3.966 4.170 -0.000 0.000 0.251 309 I C 2.031 178.157 176.117 0.016 0.000 1.136 309 I CA 1.433 62.748 61.300 0.026 0.000 1.425 309 I CB -0.167 37.848 38.000 0.026 0.000 1.079 309 I HN 0.003 nan 8.210 nan 0.000 0.425 310 T N 0.279 114.840 114.554 0.013 0.000 2.833 310 T HA -0.148 4.202 4.350 -0.000 0.000 0.269 310 T C 1.423 176.127 174.700 0.006 0.000 1.054 310 T CA 1.500 63.604 62.100 0.007 0.000 1.135 310 T CB -0.335 68.536 68.868 0.004 0.000 0.869 310 T HN 0.369 nan 8.240 nan 0.000 0.466 311 D N 1.099 121.504 120.400 0.009 0.000 2.371 311 D HA -0.006 4.634 4.640 -0.000 0.000 0.221 311 D C 1.329 177.630 176.300 0.001 0.000 0.986 311 D CA 0.664 54.667 54.000 0.005 0.000 0.899 311 D CB 0.056 40.860 40.800 0.007 0.000 0.902 311 D HN 0.574 nan 8.370 nan 0.000 0.530 312 I N -3.899 116.672 120.570 0.002 0.000 4.310 312 I HA 0.402 4.572 4.170 -0.000 0.000 0.328 312 I C 0.288 176.404 176.117 -0.001 0.000 1.406 312 I CA -0.887 60.413 61.300 -0.001 0.000 1.174 312 I CB 0.358 38.358 38.000 -0.000 0.000 1.279 312 I HN -0.236 nan 8.210 nan 0.000 0.471 313 A N 0.625 123.445 122.820 0.000 0.000 2.299 313 A HA 0.710 5.030 4.320 -0.000 0.000 0.332 313 A C -0.099 177.484 177.584 -0.003 0.000 1.131 313 A CA -0.533 51.504 52.037 -0.000 0.000 0.844 313 A CB 0.583 19.584 19.000 0.002 0.000 1.251 313 A HN 0.358 nan 8.150 nan 0.000 0.486 314 E N 2.112 122.310 120.200 -0.003 0.000 2.414 314 E HA 0.169 4.519 4.350 -0.000 0.000 0.263 314 E C -2.179 174.418 176.600 -0.004 0.000 1.000 314 E CA -1.405 54.992 56.400 -0.004 0.000 0.914 314 E CB 0.113 29.810 29.700 -0.004 0.000 0.948 314 E HN 0.411 nan 8.360 nan 0.000 0.444 315 P HA -0.116 nan 4.420 nan 0.000 0.262 315 P C 0.610 177.908 177.300 -0.004 0.000 1.182 315 P CA 0.729 63.826 63.100 -0.004 0.000 0.761 315 P CB 0.488 32.185 31.700 -0.004 0.000 0.795 316 G N 3.007 111.804 108.800 -0.005 0.000 2.148 316 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.254 316 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.254 316 G C 0.831 175.728 174.900 -0.005 0.000 0.981 316 G CA 0.521 45.617 45.100 -0.006 0.000 0.670 316 G HN 0.689 nan 8.290 nan 0.000 0.528 317 S N -1.142 114.556 115.700 -0.004 0.000 2.517 317 S HA 0.675 5.145 4.470 -0.000 0.000 0.214 317 S C 1.318 175.918 174.600 -0.001 0.000 0.991 317 S CA 1.189 59.388 58.200 -0.002 0.000 0.906 317 S CB 0.515 63.714 63.200 -0.001 0.000 0.789 317 S HN 1.831 nan 8.310 nan 0.000 0.513 318 A N 1.368 124.187 122.820 -0.002 0.000 2.401 318 A HA 0.799 5.119 4.320 -0.000 0.000 0.259 318 A C 0.296 177.876 177.584 -0.005 0.000 1.103 318 A CA 0.105 52.142 52.037 -0.001 0.000 0.789 318 A CB 0.139 19.138 19.000 -0.001 0.000 1.035 318 A HN 1.230 nan 8.150 nan 0.000 0.491 319 A N 1.479 124.298 122.820 -0.002 0.000 2.601 319 A HA 0.619 4.939 4.320 -0.000 0.000 0.291 319 A C -1.216 176.369 177.584 0.001 0.000 1.075 319 A CA -0.436 51.597 52.037 -0.008 0.000 0.671 319 A CB 0.878 19.875 19.000 -0.004 0.000 1.277 319 A HN 1.273 nan 8.150 nan 0.000 0.417 320 V N 1.523 121.432 119.914 -0.008 0.000 2.370 320 V HA 0.484 4.604 4.120 -0.000 0.000 0.283 320 V C -0.742 175.382 176.094 0.050 0.000 1.023 320 V CA -0.173 62.140 62.300 0.023 0.000 0.857 320 V CB 0.805 32.619 31.823 -0.014 0.000 0.985 320 V HN 0.615 nan 8.190 nan 0.000 0.443 321 I N 3.634 124.250 120.570 0.077 0.000 2.460 321 I HA 0.500 4.670 4.170 -0.000 0.000 0.298 321 I C 0.271 176.460 176.117 0.119 0.000 0.989 321 I CA -0.083 61.265 61.300 0.081 0.000 1.173 321 I CB 1.367 39.401 38.000 0.057 0.000 1.338 321 I HN 0.645 nan 8.210 nan 0.000 0.456 322 D N 4.252 124.725 120.400 0.122 0.000 2.705 322 D HA -0.284 4.356 4.640 -0.000 0.000 0.240 322 D C -0.370 176.042 176.300 0.187 0.000 1.137 322 D CA 0.513 54.590 54.000 0.127 0.000 0.677 322 D CB -0.972 39.880 40.800 0.087 0.000 1.049 322 D HN 0.242 nan 8.370 nan 0.000 0.427 323 F N 1.002 120.987 119.950 0.059 0.000 2.578 323 F HA 0.075 4.602 4.527 -0.000 0.000 0.381 323 F C 1.515 177.376 175.800 0.103 0.000 1.069 323 F CA -0.180 57.870 58.000 0.082 0.000 1.231 323 F CB 0.221 39.254 39.000 0.054 0.000 1.086 323 F HN 0.202 nan 8.300 nan 0.000 0.564 324 M N 4.368 123.725 119.600 -0.405 0.000 2.303 324 M HA -0.217 4.263 4.480 -0.000 0.000 0.189 324 M C -0.150 176.047 176.300 -0.172 0.000 0.688 324 M CA 0.969 56.036 55.300 -0.388 0.000 0.479 324 M CB -2.219 29.981 32.600 -0.667 0.000 1.094 324 M HN 0.687 nan 8.290 nan 0.000 0.907 325 T N -2.425 112.085 114.554 -0.073 0.000 2.929 325 T HA 0.713 5.063 4.350 -0.000 0.000 0.284 325 T C 0.141 174.820 174.700 -0.035 0.000 1.014 325 T CA -1.054 61.028 62.100 -0.031 0.000 1.051 325 T CB 2.587 71.462 68.868 0.013 0.000 1.028 325 T HN 0.146 nan 8.240 nan 0.000 0.485 326 V N 2.768 122.666 119.914 -0.026 0.000 2.407 326 V HA 0.460 4.580 4.120 -0.000 0.000 0.278 326 V C 0.362 176.456 176.094 -0.000 0.000 1.037 326 V CA -0.784 61.503 62.300 -0.021 0.000 0.900 326 V CB 1.026 32.830 31.823 -0.032 0.000 0.983 326 V HN 0.798 nan 8.190 nan 0.000 0.459 327 R N 3.662 124.175 120.500 0.022 0.000 2.310 327 R HA 0.417 4.757 4.340 -0.000 0.000 0.324 327 R C -0.589 175.719 176.300 0.013 0.000 0.955 327 R CA -0.507 55.614 56.100 0.036 0.000 0.830 327 R CB 1.748 32.095 30.300 0.077 0.000 1.154 327 R HN 0.721 nan 8.270 nan 0.000 0.458 328 E N 3.313 123.506 120.200 -0.011 0.000 2.229 328 E HA 0.198 4.548 4.350 -0.000 0.000 0.283 328 E C -0.058 176.525 176.600 -0.027 0.000 1.030 328 E CA -0.414 55.961 56.400 -0.042 0.000 0.836 328 E CB 1.158 30.836 29.700 -0.038 0.000 1.068 328 E HN 0.111 nan 8.360 nan 0.000 0.401 329 R N 2.562 123.029 120.500 -0.055 0.000 2.681 329 R HA 0.238 4.578 4.340 -0.000 0.000 0.277 329 R C 0.580 176.849 176.300 -0.052 0.000 1.563 329 R CA 0.050 56.135 56.100 -0.025 0.000 1.673 329 R CB 0.556 30.882 30.300 0.044 0.000 1.258 329 R HN 0.937 nan 8.270 nan 0.000 0.650 330 G N 1.367 110.136 108.800 -0.052 0.000 2.889 330 G HA2 -0.459 3.501 3.960 -0.000 0.000 0.308 330 G HA3 -0.459 3.501 3.960 -0.000 0.000 0.308 330 G C 0.909 175.774 174.900 -0.060 0.000 1.248 330 G CA 0.885 45.952 45.100 -0.055 0.000 0.982 330 G HN 0.470 nan 8.290 nan 0.000 0.571 331 S N 0.468 116.131 115.700 -0.061 0.000 2.562 331 S HA 0.454 4.924 4.470 -0.000 0.000 0.221 331 S C 0.910 175.465 174.600 -0.075 0.000 0.975 331 S CA 1.508 59.678 58.200 -0.050 0.000 0.918 331 S CB -0.188 62.996 63.200 -0.026 0.000 0.772 331 S HN 2.205 nan 8.310 nan 0.000 0.531 332 V N -1.264 118.577 119.914 -0.122 0.000 3.159 332 V HA 0.734 4.854 4.120 -0.000 0.000 0.308 332 V C -1.799 174.112 176.094 -0.304 0.000 1.190 332 V CA -1.320 60.854 62.300 -0.210 0.000 1.037 332 V CB 1.877 33.542 31.823 -0.263 0.000 1.060 332 V HN 0.424 nan 8.190 nan 0.000 0.437 333 Q N 1.001 120.583 119.800 -0.363 0.000 2.323 333 Q HA 0.628 4.968 4.340 -0.000 0.000 0.271 333 Q C -1.576 174.197 176.000 -0.379 0.000 1.048 333 Q CA -0.789 54.828 55.803 -0.311 0.000 0.792 333 Q CB 2.400 31.049 28.738 -0.148 0.000 1.280 333 Q HN 0.900 nan 8.270 nan 0.000 0.441 334 H N 2.044 121.093 119.070 -0.034 0.000 2.529 334 H HA 0.509 5.065 4.556 -0.000 0.000 0.348 334 H C -1.071 174.215 175.328 -0.071 0.000 1.152 334 H CA -0.835 55.185 56.048 -0.046 0.000 1.202 334 H CB 2.186 31.928 29.762 -0.032 0.000 1.562 334 H HN 0.575 nan 8.280 nan 0.000 0.515 335 L N 1.384 122.619 121.223 0.020 0.000 2.322 335 L HA 0.654 4.994 4.340 -0.000 0.000 0.281 335 L C 0.111 176.862 176.870 -0.197 0.000 1.014 335 L CA 0.163 54.941 54.840 -0.105 0.000 0.815 335 L CB 1.311 43.273 42.059 -0.161 0.000 1.247 335 L HN 0.875 nan 8.230 nan 0.000 0.421 336 G N 2.058 110.744 108.800 -0.190 0.000 2.554 336 G HA2 0.665 4.625 3.960 -0.000 0.000 0.306 336 G HA3 0.665 4.625 3.960 -0.000 0.000 0.306 336 G C -1.807 173.135 174.900 0.070 0.000 1.320 336 G CA -0.452 44.559 45.100 -0.149 0.000 0.800 336 G HN 0.657 nan 8.290 nan 0.000 0.481 337 S N -1.442 114.410 115.700 0.253 0.000 2.588 337 S HA 0.803 5.273 4.470 -0.000 0.000 0.275 337 S C -0.994 173.710 174.600 0.174 0.000 1.130 337 S CA -0.545 57.805 58.200 0.249 0.000 0.855 337 S CB 2.122 65.536 63.200 0.356 0.000 1.116 337 S HN 0.692 nan 8.310 nan 0.000 0.472 338 T N 2.010 116.650 114.554 0.143 0.000 2.786 338 T HA 0.564 4.914 4.350 -0.000 0.000 0.283 338 T C -0.535 174.218 174.700 0.089 0.000 0.992 338 T CA -0.308 61.852 62.100 0.100 0.000 0.954 338 T CB 0.305 69.219 68.868 0.077 0.000 0.934 338 T HN 0.405 nan 8.240 nan 0.000 0.440 339 I N 3.363 123.976 120.570 0.072 0.000 2.354 339 I HA 0.545 4.715 4.170 -0.000 0.000 0.292 339 I C 0.297 176.439 176.117 0.041 0.000 0.989 339 I CA -0.804 60.528 61.300 0.053 0.000 1.188 339 I CB 1.495 39.523 38.000 0.046 0.000 1.342 339 I HN 0.329 nan 8.210 nan 0.000 0.457 340 R N 5.126 125.645 120.500 0.032 0.000 2.750 340 R HA 0.914 5.254 4.340 -0.000 0.000 0.281 340 R C -1.574 174.736 176.300 0.017 0.000 0.972 340 R CA -0.354 55.761 56.100 0.025 0.000 0.912 340 R CB 2.348 32.663 30.300 0.025 0.000 1.187 340 R HN 0.795 nan 8.270 nan 0.000 0.464 341 A N 2.770 125.598 122.820 0.014 0.000 2.557 341 A HA 0.584 4.904 4.320 -0.000 0.000 0.292 341 A C -1.535 176.053 177.584 0.006 0.000 1.139 341 A CA -0.871 51.171 52.037 0.009 0.000 0.665 341 A CB 1.509 20.514 19.000 0.009 0.000 1.285 341 A HN 0.703 nan 8.150 nan 0.000 0.433 342 R N 0.040 120.541 120.500 0.003 0.000 2.437 342 R HA 0.481 4.821 4.340 -0.000 0.000 0.310 342 R C -1.147 175.152 176.300 -0.002 0.000 0.955 342 R CA -0.834 55.266 56.100 -0.000 0.000 0.851 342 R CB 1.681 31.980 30.300 -0.002 0.000 1.161 342 R HN 0.618 nan 8.270 nan 0.000 0.446 343 L N 3.101 124.322 121.223 -0.005 0.000 2.540 343 L HA -0.027 4.313 4.340 -0.000 0.000 0.276 343 L C 0.295 177.160 176.870 -0.009 0.000 1.212 343 L CA 0.722 55.558 54.840 -0.007 0.000 0.893 343 L CB 0.218 42.270 42.059 -0.012 0.000 1.138 343 L HN 0.515 nan 8.230 nan 0.000 0.491 344 D N 7.050 127.445 120.400 -0.009 0.000 2.424 344 D HA 0.034 4.674 4.640 -0.000 0.000 0.244 344 D C -1.661 174.632 176.300 -0.012 0.000 1.134 344 D CA -1.173 52.822 54.000 -0.009 0.000 0.881 344 D CB 1.517 42.312 40.800 -0.009 0.000 1.191 344 D HN 0.451 nan 8.370 nan 0.000 0.445 345 P HA -0.122 nan 4.420 nan 0.000 0.226 345 P C 0.755 178.045 177.300 -0.016 0.000 1.146 345 P CA 0.750 63.842 63.100 -0.014 0.000 0.773 345 P CB 0.117 31.810 31.700 -0.013 0.000 0.772 346 S N -3.039 112.652 115.700 -0.015 0.000 2.540 346 S HA 0.201 4.671 4.470 -0.000 0.000 0.218 346 S C 0.913 175.502 174.600 -0.019 0.000 0.977 346 S CA -0.403 57.787 58.200 -0.016 0.000 0.918 346 S CB -0.223 62.968 63.200 -0.014 0.000 0.806 346 S HN 0.047 nan 8.310 nan 0.000 0.496 347 S N 1.272 116.960 115.700 -0.019 0.000 2.786 347 S HA 0.708 5.178 4.470 -0.000 0.000 0.307 347 S C -1.552 173.033 174.600 -0.026 0.000 1.121 347 S CA -0.419 57.768 58.200 -0.021 0.000 0.975 347 S CB 1.399 64.589 63.200 -0.017 0.000 1.220 347 S HN 0.663 nan 8.310 nan 0.000 0.550 348 D N -1.514 118.868 120.400 -0.029 0.000 2.596 348 D HA 0.331 4.971 4.640 -0.000 0.000 0.262 348 D C 0.731 177.007 176.300 -0.039 0.000 1.210 348 D CA -0.858 53.120 54.000 -0.038 0.000 0.873 348 D CB 0.567 41.340 40.800 -0.045 0.000 1.408 348 D HN 0.512 nan 8.370 nan 0.000 0.441 349 R N -0.196 120.274 120.500 -0.051 0.000 2.127 349 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 349 R C 1.227 177.493 176.300 -0.058 0.000 1.134 349 R CA 1.112 57.179 56.100 -0.056 0.000 0.975 349 R CB -0.556 29.698 30.300 -0.077 0.000 0.865 349 R HN 0.347 nan 8.270 nan 0.000 0.447 350 M N 1.003 120.563 119.600 -0.066 0.000 2.200 350 M HA 0.062 4.542 4.480 -0.000 0.000 0.265 350 M C 2.439 178.732 176.300 -0.013 0.000 1.066 350 M CA 1.527 56.794 55.300 -0.054 0.000 1.127 350 M CB -0.866 31.696 32.600 -0.064 0.000 1.379 350 M HN 0.402 nan 8.290 nan 0.000 0.420 351 A N 0.018 122.824 122.820 -0.024 0.000 1.969 351 A HA 0.072 4.392 4.320 -0.000 0.000 0.218 351 A C 2.401 179.983 177.584 -0.003 0.000 1.169 351 A CA 1.774 53.798 52.037 -0.021 0.000 0.635 351 A CB -0.711 18.273 19.000 -0.027 0.000 0.810 351 A HN 0.449 nan 8.150 nan 0.000 0.445 352 A N -0.419 122.401 122.820 -0.000 0.000 1.898 352 A HA 0.029 4.349 4.320 -0.000 0.000 0.216 352 A C 2.102 179.716 177.584 0.049 0.000 1.181 352 A CA 1.609 53.657 52.037 0.017 0.000 0.620 352 A CB -0.607 18.397 19.000 0.007 0.000 0.819 352 A HN 0.614 nan 8.150 nan 0.000 0.442 353 L N 0.985 122.230 121.223 0.037 0.000 1.994 353 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 353 L C 2.519 179.488 176.870 0.166 0.000 1.071 353 L CA 2.858 57.740 54.840 0.070 0.000 0.745 353 L CB -0.740 41.281 42.059 -0.063 0.000 0.892 353 L HN 0.691 nan 8.230 nan 0.000 0.431 354 E N -0.740 119.543 120.200 0.137 0.000 2.268 354 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 354 E C 1.849 178.490 176.600 0.069 0.000 0.995 354 E CA 0.971 57.426 56.400 0.091 0.000 0.836 354 E CB -0.384 29.238 29.700 -0.129 0.000 0.763 354 E HN 0.519 nan 8.360 nan 0.000 0.491 355 A N 1.473 124.330 122.820 0.061 0.000 1.969 355 A HA 0.006 4.326 4.320 -0.000 0.000 0.218 355 A C 2.094 179.736 177.584 0.097 0.000 1.169 355 A CA 0.783 52.848 52.037 0.047 0.000 0.635 355 A CB -0.305 18.714 19.000 0.033 0.000 0.810 355 A HN 0.294 nan 8.150 nan 0.000 0.445 356 L N -1.886 119.428 121.223 0.152 0.000 2.628 356 L HA 0.320 4.660 4.340 -0.000 0.000 0.229 356 L C -0.168 176.839 176.870 0.228 0.000 1.137 356 L CA -0.349 54.590 54.840 0.166 0.000 0.909 356 L CB 0.126 42.275 42.059 0.149 0.000 1.137 356 L HN 0.248 nan 8.230 nan 0.000 0.470 357 F N 0.925 120.918 119.950 0.071 0.000 2.422 357 F HA 0.474 5.001 4.527 -0.000 0.000 0.333 357 F C -2.134 173.704 175.800 0.063 0.000 1.095 357 F CA -2.533 55.518 58.000 0.085 0.000 1.038 357 F CB 1.322 40.413 39.000 0.152 0.000 1.156 357 F HN -0.243 nan 8.300 nan 0.000 0.483 358 P HA 0.270 nan 4.420 nan 0.000 0.276 358 P C -1.357 175.792 177.300 -0.251 0.000 1.252 358 P CA -0.514 62.303 63.100 -0.473 0.000 0.802 358 P CB 0.639 32.116 31.700 -0.373 0.000 1.035 359 A N 1.436 124.053 122.820 -0.339 0.000 2.567 359 A HA -0.005 4.315 4.320 -0.000 0.000 0.240 359 A C 1.590 179.160 177.584 -0.023 0.000 1.053 359 A CA 0.044 52.008 52.037 -0.121 0.000 0.755 359 A CB -0.580 18.353 19.000 -0.113 0.000 0.978 359 A HN 0.515 nan 8.150 nan 0.000 0.507 360 V N 3.231 123.159 119.914 0.022 0.000 2.594 360 V HA -0.187 3.933 4.120 -0.000 0.000 0.253 360 V C 2.431 178.557 176.094 0.052 0.000 1.069 360 V CA 3.016 65.345 62.300 0.048 0.000 1.082 360 V CB -0.845 31.014 31.823 0.059 0.000 0.680 360 V HN 1.168 nan 8.190 nan 0.000 0.469 361 T N -2.358 112.224 114.554 0.045 0.000 3.085 361 T HA 0.184 4.534 4.350 -0.000 0.000 0.263 361 T C 1.294 176.015 174.700 0.035 0.000 1.127 361 T CA 0.983 63.115 62.100 0.054 0.000 1.103 361 T CB -0.023 68.878 68.868 0.055 0.000 0.921 361 T HN 0.635 nan 8.240 nan 0.000 0.510 362 A N 0.520 123.349 122.820 0.014 0.000 2.545 362 A HA 0.611 4.931 4.320 -0.000 0.000 0.263 362 A C 1.907 179.512 177.584 0.036 0.000 1.202 362 A CA 0.337 52.369 52.037 -0.008 0.000 0.959 362 A CB 0.252 19.199 19.000 -0.089 0.000 1.124 362 A HN 0.559 nan 8.150 nan 0.000 0.543 363 S N -1.503 114.240 115.700 0.072 0.000 3.414 363 S HA 0.710 5.180 4.470 -0.000 0.000 0.193 363 S C 0.872 175.493 174.600 0.036 0.000 0.825 363 S CA 0.551 58.818 58.200 0.110 0.000 0.837 363 S CB 0.112 63.407 63.200 0.158 0.000 0.940 363 S HN 1.644 nan 8.310 nan 0.000 0.639 364 G N 0.384 109.199 108.800 0.024 0.000 2.315 364 G HA2 0.463 4.423 3.960 -0.000 0.000 0.294 364 G HA3 0.463 4.423 3.960 -0.000 0.000 0.294 364 G C -2.330 172.588 174.900 0.030 0.000 1.300 364 G CA -0.673 44.431 45.100 0.007 0.000 0.843 364 G HN 0.402 nan 8.290 nan 0.000 0.527 365 I N 1.112 121.729 120.570 0.077 0.000 2.548 365 I HA 0.356 4.526 4.170 -0.000 0.000 0.287 365 I C -2.579 173.636 176.117 0.163 0.000 1.103 365 I CA -2.048 59.319 61.300 0.112 0.000 1.049 365 I CB 2.053 40.158 38.000 0.175 0.000 1.232 365 I HN 0.134 nan 8.210 nan 0.000 0.429 366 P HA 0.226 nan 4.420 nan 0.000 0.271 366 P C 0.656 177.924 177.300 -0.054 0.000 1.218 366 P CA -0.244 62.873 63.100 0.028 0.000 0.780 366 P CB 1.018 32.735 31.700 0.027 0.000 0.901 367 K N 2.064 122.414 120.400 -0.084 0.000 2.044 367 K HA -0.215 4.105 4.320 -0.000 0.000 0.210 367 K C 1.966 178.255 176.600 -0.520 0.000 1.049 367 K CA 2.048 58.219 56.287 -0.193 0.000 0.927 367 K CB -0.747 31.717 32.500 -0.060 0.000 0.713 367 K HN 0.462 nan 8.250 nan 0.000 0.443 368 A N 1.616 123.999 122.820 -0.729 0.000 1.892 368 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 368 A C 2.403 179.769 177.584 -0.364 0.000 1.188 368 A CA 2.168 53.676 52.037 -0.881 0.000 0.631 368 A CB -0.800 17.964 19.000 -0.393 0.000 0.822 368 A HN 0.382 nan 8.150 nan 0.000 0.447 369 A N -0.800 121.901 122.820 -0.197 0.000 1.929 369 A HA 0.208 4.528 4.320 -0.000 0.000 0.216 369 A C 2.390 179.821 177.584 -0.255 0.000 1.176 369 A CA 1.762 53.734 52.037 -0.107 0.000 0.628 369 A CB -1.271 17.754 19.000 0.043 0.000 0.816 369 A HN 0.717 nan 8.150 nan 0.000 0.444 370 G N -0.378 108.254 108.800 -0.280 0.000 2.421 370 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.216 370 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.216 370 G C 1.511 176.314 174.900 -0.162 0.000 1.171 370 G CA 1.242 46.154 45.100 -0.314 0.000 0.775 370 G HN 0.291 nan 8.290 nan 0.000 0.543 371 V N 0.798 120.663 119.914 -0.083 0.000 2.332 371 V HA -0.165 3.955 4.120 -0.000 0.000 0.248 371 V C 2.763 178.982 176.094 0.208 0.000 1.055 371 V CA 2.097 64.456 62.300 0.098 0.000 1.038 371 V CB -0.275 31.601 31.823 0.087 0.000 0.651 371 V HN 0.384 nan 8.190 nan 0.000 0.450 372 E N 0.574 120.865 120.200 0.151 0.000 2.077 372 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 372 E C 2.263 178.975 176.600 0.188 0.000 0.989 372 E CA 1.713 58.256 56.400 0.238 0.000 0.800 372 E CB -0.209 29.546 29.700 0.091 0.000 0.746 372 E HN 0.530 nan 8.360 nan 0.000 0.452 373 A N 0.991 123.815 122.820 0.006 0.000 1.933 373 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 373 A C 2.397 179.996 177.584 0.025 0.000 1.175 373 A CA 1.178 53.200 52.037 -0.025 0.000 0.628 373 A CB -0.623 18.191 19.000 -0.309 0.000 0.814 373 A HN 0.305 nan 8.150 nan 0.000 0.444 374 I N -1.758 118.810 120.570 -0.003 0.000 2.361 374 I HA -0.245 3.925 4.170 -0.000 0.000 0.251 374 I C 2.021 178.123 176.117 -0.025 0.000 1.133 374 I CA 1.138 62.409 61.300 -0.047 0.000 1.413 374 I CB -0.273 37.662 38.000 -0.108 0.000 1.073 374 I HN 0.299 nan 8.210 nan 0.000 0.424 375 F N 0.767 120.764 119.950 0.079 0.000 2.293 375 F HA -0.113 4.414 4.527 -0.000 0.000 0.300 375 F C 2.489 178.321 175.800 0.055 0.000 1.086 375 F CA 1.304 59.355 58.000 0.085 0.000 1.375 375 F CB -0.245 38.807 39.000 0.087 0.000 1.045 375 F HN -0.069 nan 8.300 nan 0.000 0.516 376 R N -0.782 119.849 120.500 0.218 0.000 2.175 376 R HA 0.205 4.545 4.340 -0.000 0.000 0.202 376 R C 1.306 177.659 176.300 0.088 0.000 1.018 376 R CA 0.620 56.803 56.100 0.138 0.000 1.029 376 R CB 0.042 30.414 30.300 0.121 0.000 0.959 376 R HN 0.261 nan 8.270 nan 0.000 0.480 377 L N -0.139 121.125 121.223 0.068 0.000 2.808 377 L HA 0.328 4.668 4.340 -0.000 0.000 0.246 377 L C -0.464 176.423 176.870 0.028 0.000 1.153 377 L CA -0.164 54.701 54.840 0.042 0.000 0.956 377 L CB 0.363 42.445 42.059 0.038 0.000 1.270 377 L HN -0.052 nan 8.230 nan 0.000 0.528 378 D N 0.302 120.714 120.400 0.020 0.000 2.547 378 D HA 0.399 5.039 4.640 -0.000 0.000 0.231 378 D C -0.116 176.183 176.300 -0.003 0.000 1.099 378 D CA -0.104 53.899 54.000 0.005 0.000 0.901 378 D CB 1.720 42.496 40.800 -0.040 0.000 1.478 378 D HN 0.048 nan 8.370 nan 0.000 0.471 379 E N 0.584 120.776 120.200 -0.013 0.000 2.220 379 E HA 0.437 4.787 4.350 -0.000 0.000 0.272 379 E C -0.496 176.087 176.600 -0.028 0.000 1.099 379 E CA -0.270 56.118 56.400 -0.021 0.000 0.907 379 E CB -0.309 29.362 29.700 -0.050 0.000 1.022 379 E HN 0.492 nan 8.360 nan 0.000 0.428 380 C N 3.795 123.100 119.300 0.008 0.000 2.454 380 C HA 0.784 5.244 4.460 -0.000 0.000 0.336 380 C C -1.789 173.246 174.990 0.075 0.000 1.189 380 C CA -1.189 57.848 59.018 0.033 0.000 1.877 380 C CB 1.215 28.988 27.740 0.055 0.000 2.348 380 C HN 0.902 nan 8.230 nan 0.000 0.508 381 P HA 0.378 nan 4.420 nan 0.000 0.274 381 P C 0.522 177.886 177.300 0.106 0.000 1.231 381 P CA -0.327 62.860 63.100 0.145 0.000 0.790 381 P CB 0.590 32.415 31.700 0.209 0.000 0.951 382 R N 0.827 121.398 120.500 0.118 0.000 2.161 382 R HA 0.106 4.446 4.340 -0.000 0.000 0.213 382 R C 1.447 177.849 176.300 0.171 0.000 1.055 382 R CA 0.812 56.972 56.100 0.099 0.000 0.996 382 R CB -0.515 29.753 30.300 -0.054 0.000 0.901 382 R HN 0.877 nan 8.270 nan 0.000 0.456 383 G N 1.176 110.130 108.800 0.255 0.000 2.591 383 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.298 383 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.298 383 G C 0.562 175.607 174.900 0.241 0.000 1.195 383 G CA 0.373 45.637 45.100 0.273 0.000 0.989 383 G HN 0.161 nan 8.290 nan 0.000 0.551 384 L N 0.158 121.332 121.223 -0.082 0.000 2.131 384 L HA 0.181 4.521 4.340 -0.000 0.000 0.210 384 L C 1.713 178.649 176.870 0.109 0.000 1.092 384 L CA 1.501 56.290 54.840 -0.085 0.000 0.759 384 L CB -0.649 41.196 42.059 -0.357 0.000 0.903 384 L HN 0.502 nan 8.230 nan 0.000 0.435 385 Y N 1.116 121.390 120.300 -0.044 0.000 2.544 385 Y HA 0.144 4.694 4.550 -0.000 0.000 0.330 385 Y C 1.374 177.325 175.900 0.085 0.000 1.136 385 Y CA -0.220 57.921 58.100 0.069 0.000 1.417 385 Y CB 0.261 38.727 38.460 0.010 0.000 1.229 385 Y HN 0.348 nan 8.280 nan 0.000 0.532 386 S N 1.492 116.811 115.700 -0.636 0.000 3.261 386 S HA -0.194 4.276 4.470 -0.000 0.000 0.287 386 S C 0.394 174.973 174.600 -0.034 0.000 1.281 386 S CA 0.705 58.634 58.200 -0.452 0.000 1.053 386 S CB -2.260 60.586 63.200 -0.589 0.000 1.251 386 S HN 1.427 nan 8.310 nan 0.000 0.659 387 G N 0.668 109.531 108.800 0.105 0.000 2.736 387 G HA2 0.897 4.857 3.960 -0.000 0.000 0.229 387 G HA3 0.897 4.857 3.960 -0.000 0.000 0.229 387 G C -0.165 174.899 174.900 0.272 0.000 1.380 387 G CA -0.344 44.950 45.100 0.325 0.000 1.040 387 G HN 1.662 nan 8.290 nan 0.000 0.568 388 A N -1.940 121.094 122.820 0.357 0.000 2.556 388 A HA 0.682 5.002 4.320 -0.000 0.000 0.294 388 A C -1.335 176.306 177.584 0.095 0.000 1.091 388 A CA -0.415 51.747 52.037 0.209 0.000 0.704 388 A CB 1.777 20.947 19.000 0.283 0.000 1.300 388 A HN 0.956 nan 8.150 nan 0.000 0.406 389 V N 1.415 121.318 119.914 -0.018 0.000 2.472 389 V HA 0.630 4.750 4.120 -0.000 0.000 0.290 389 V C 0.041 176.060 176.094 -0.125 0.000 1.037 389 V CA -0.227 62.002 62.300 -0.119 0.000 0.908 389 V CB 1.283 32.901 31.823 -0.341 0.000 0.985 389 V HN 1.242 nan 8.190 nan 0.000 0.454 390 V N 2.885 122.659 119.914 -0.234 0.000 3.001 390 V HA 0.788 4.908 4.120 -0.000 0.000 0.314 390 V C -0.682 175.107 176.094 -0.509 0.000 1.099 390 V CA -0.904 61.192 62.300 -0.340 0.000 0.989 390 V CB 2.120 33.779 31.823 -0.272 0.000 1.040 390 V HN 0.893 nan 8.190 nan 0.000 0.434 391 M N 3.739 123.019 119.600 -0.533 0.000 2.213 391 M HA 0.726 5.206 4.480 -0.000 0.000 0.286 391 M C -2.452 173.559 176.300 -0.482 0.000 1.008 391 M CA -0.497 54.431 55.300 -0.619 0.000 0.937 391 M CB 1.629 33.934 32.600 -0.493 0.000 1.600 391 M HN 0.760 nan 8.290 nan 0.000 0.450 392 L N 3.249 124.128 121.223 -0.575 0.000 2.346 392 L HA 0.672 5.012 4.340 -0.000 0.000 0.274 392 L C -0.432 176.200 176.870 -0.396 0.000 1.007 392 L CA -0.176 54.425 54.840 -0.399 0.000 0.818 392 L CB 2.370 44.221 42.059 -0.346 0.000 1.284 392 L HN 0.630 nan 8.230 nan 0.000 0.424 393 S N 0.348 115.888 115.700 -0.267 0.000 2.578 393 S HA 0.582 5.052 4.470 -0.000 0.000 0.301 393 S C 0.981 175.479 174.600 -0.170 0.000 1.091 393 S CA -0.137 57.932 58.200 -0.219 0.000 1.032 393 S CB 1.839 64.942 63.200 -0.162 0.000 1.064 393 S HN 0.745 nan 8.310 nan 0.000 0.508 394 A N 1.505 124.235 122.820 -0.150 0.000 2.024 394 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 394 A C 1.425 178.953 177.584 -0.094 0.000 1.164 394 A CA 1.919 53.886 52.037 -0.117 0.000 0.643 394 A CB -0.742 18.197 19.000 -0.102 0.000 0.806 394 A HN 0.874 nan 8.150 nan 0.000 0.451 395 D N -2.493 117.853 120.400 -0.089 0.000 2.352 395 D HA 0.307 4.947 4.640 -0.000 0.000 0.232 395 D C 1.100 177.360 176.300 -0.068 0.000 1.055 395 D CA 0.912 54.870 54.000 -0.069 0.000 0.891 395 D CB -0.426 40.339 40.800 -0.058 0.000 0.897 395 D HN 0.706 nan 8.370 nan 0.000 0.529 396 G N -1.258 107.492 108.800 -0.083 0.000 2.179 396 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.220 396 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.220 396 G C 0.625 175.474 174.900 -0.084 0.000 0.990 396 G CA -0.215 44.838 45.100 -0.080 0.000 0.646 396 G HN 0.757 nan 8.290 nan 0.000 0.517 397 G N -0.156 108.589 108.800 -0.092 0.000 2.527 397 G HA2 0.599 4.559 3.960 -0.000 0.000 0.248 397 G HA3 0.599 4.559 3.960 -0.000 0.000 0.248 397 G C -0.339 174.490 174.900 -0.118 0.000 1.231 397 G CA 0.289 45.336 45.100 -0.090 0.000 0.838 397 G HN 1.106 nan 8.290 nan 0.000 0.570 398 L N 1.560 122.725 121.223 -0.096 0.000 2.493 398 L HA 0.542 4.882 4.340 -0.000 0.000 0.265 398 L C -2.063 174.766 176.870 -0.068 0.000 0.954 398 L CA -0.654 54.117 54.840 -0.115 0.000 0.844 398 L CB 2.393 44.386 42.059 -0.110 0.000 1.302 398 L HN 0.544 nan 8.230 nan 0.000 0.405 399 D N 4.223 124.579 120.400 -0.074 0.000 2.620 399 D HA 0.645 5.285 4.640 -0.000 0.000 0.252 399 D C -1.300 175.007 176.300 0.011 0.000 1.207 399 D CA -0.071 53.940 54.000 0.019 0.000 0.884 399 D CB 2.420 43.288 40.800 0.113 0.000 1.262 399 D HN 0.731 nan 8.370 nan 0.000 0.552 400 A N 2.633 125.490 122.820 0.062 0.000 2.340 400 A HA 0.680 5.000 4.320 -0.000 0.000 0.297 400 A C -0.483 177.189 177.584 0.147 0.000 1.195 400 A CA -0.592 51.490 52.037 0.075 0.000 0.769 400 A CB 1.230 20.264 19.000 0.056 0.000 1.163 400 A HN 0.527 nan 8.150 nan 0.000 0.472 401 A N 2.427 125.367 122.820 0.201 0.000 2.289 401 A HA 0.586 4.906 4.320 -0.000 0.000 0.298 401 A C -0.130 177.544 177.584 0.151 0.000 1.208 401 A CA -0.465 51.688 52.037 0.193 0.000 0.845 401 A CB 0.203 19.365 19.000 0.270 0.000 1.125 401 A HN 1.438 nan 8.150 nan 0.000 0.517 402 L N 3.036 124.327 121.223 0.113 0.000 2.462 402 L HA 0.293 4.633 4.340 -0.000 0.000 0.272 402 L C 0.317 177.245 176.870 0.098 0.000 1.166 402 L CA 0.990 55.877 54.840 0.077 0.000 0.880 402 L CB 0.463 42.537 42.059 0.025 0.000 1.142 402 L HN 0.634 nan 8.230 nan 0.000 0.473 403 T N 7.417 122.027 114.554 0.092 0.000 2.728 403 T HA 0.422 4.772 4.350 -0.000 0.000 0.296 403 T C 0.982 175.738 174.700 0.093 0.000 0.940 403 T CA -0.193 62.005 62.100 0.164 0.000 1.013 403 T CB 0.659 69.636 68.868 0.181 0.000 0.912 403 T HN 0.616 nan 8.240 nan 0.000 0.484 404 L N 1.701 123.015 121.223 0.151 0.000 2.769 404 L HA 0.331 4.671 4.340 -0.000 0.000 0.175 404 L C 0.911 177.943 176.870 0.270 0.000 1.099 404 L CA -0.408 54.531 54.840 0.166 0.000 0.876 404 L CB 0.150 42.259 42.059 0.084 0.000 1.498 404 L HN 0.243 nan 8.230 nan 0.000 0.499 405 R N 2.178 122.785 120.500 0.179 0.000 2.429 405 R HA 0.592 4.932 4.340 -0.000 0.000 0.302 405 R C -0.566 175.753 176.300 0.032 0.000 1.268 405 R CA 0.039 56.216 56.100 0.130 0.000 1.090 405 R CB 0.030 30.426 30.300 0.160 0.000 1.102 405 R HN 0.240 nan 8.270 nan 0.000 0.522 406 A N 0.841 123.622 122.820 -0.065 0.000 2.593 406 A HA 0.852 5.172 4.320 -0.000 0.000 0.290 406 A C -1.430 175.763 177.584 -0.653 0.000 1.126 406 A CA -0.532 51.297 52.037 -0.346 0.000 0.695 406 A CB 1.866 20.732 19.000 -0.224 0.000 1.290 406 A HN 0.521 nan 8.150 nan 0.000 0.414 407 A N -0.154 122.176 122.820 -0.817 0.000 2.401 407 A HA 0.865 5.185 4.320 -0.000 0.000 0.310 407 A C -1.476 175.555 177.584 -0.921 0.000 1.075 407 A CA -0.400 51.153 52.037 -0.807 0.000 0.746 407 A CB 0.787 19.480 19.000 -0.512 0.000 1.277 407 A HN 1.065 nan 8.150 nan 0.000 0.425 408 Y N -0.327 119.707 120.300 -0.443 0.000 2.545 408 Y HA 0.703 5.253 4.550 -0.000 0.000 0.348 408 Y C 0.003 175.688 175.900 -0.357 0.000 1.002 408 Y CA -0.689 57.088 58.100 -0.538 0.000 1.039 408 Y CB 2.163 39.866 38.460 -1.262 0.000 1.271 408 Y HN 0.701 nan 8.280 nan 0.000 0.467 409 Q N 1.947 121.724 119.800 -0.039 0.000 2.275 409 Q HA 0.753 5.093 4.340 -0.000 0.000 0.266 409 Q C -2.388 173.653 176.000 0.069 0.000 1.002 409 Q CA -0.623 55.238 55.803 0.096 0.000 0.761 409 Q CB 2.019 30.810 28.738 0.088 0.000 1.255 409 Q HN 0.680 nan 8.270 nan 0.000 0.446 410 V N 2.272 122.357 119.914 0.286 0.000 2.777 410 V HA 0.547 4.667 4.120 -0.000 0.000 0.306 410 V C 0.616 176.827 176.094 0.195 0.000 1.112 410 V CA -0.058 62.379 62.300 0.229 0.000 0.917 410 V CB 1.790 33.809 31.823 0.326 0.000 1.018 410 V HN 1.011 nan 8.190 nan 0.000 0.426 411 G N 2.702 111.567 108.800 0.107 0.000 2.321 411 G HA2 0.077 4.037 3.960 -0.000 0.000 0.287 411 G HA3 0.077 4.037 3.960 -0.000 0.000 0.287 411 G C 1.280 176.227 174.900 0.077 0.000 1.018 411 G CA 1.229 46.375 45.100 0.076 0.000 0.855 411 G HN 2.556 nan 8.290 nan 0.000 0.507 412 G N -1.891 106.964 108.800 0.093 0.000 2.176 412 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.253 412 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.253 412 G C 0.414 175.385 174.900 0.118 0.000 0.979 412 G CA 0.851 46.005 45.100 0.091 0.000 0.641 412 G HN 1.072 nan 8.290 nan 0.000 0.530 413 R N 0.362 120.962 120.500 0.167 0.000 2.474 413 R HA 0.649 4.989 4.340 -0.000 0.000 0.295 413 R C -0.782 175.758 176.300 0.400 0.000 0.980 413 R CA -0.252 55.976 56.100 0.213 0.000 0.934 413 R CB 1.499 31.872 30.300 0.122 0.000 1.101 413 R HN 0.136 nan 8.270 nan 0.000 0.469 414 T N 2.466 117.234 114.554 0.355 0.000 2.861 414 T HA 0.567 4.917 4.350 -0.000 0.000 0.287 414 T C -1.142 173.814 174.700 0.427 0.000 1.003 414 T CA -0.816 61.489 62.100 0.342 0.000 0.977 414 T CB 0.875 69.807 68.868 0.106 0.000 0.996 414 T HN 0.725 nan 8.240 nan 0.000 0.448 415 W N 2.368 123.701 121.300 0.056 0.000 3.005 415 W HA 0.763 5.423 4.660 0.000 0.000 0.343 415 W C -2.810 173.748 176.519 0.064 0.000 1.243 415 W CA -1.294 56.069 57.345 0.030 0.000 1.186 415 W CB 0.703 30.188 29.460 0.041 0.000 1.453 415 W HN 0.573 nan 8.180 nan 0.000 0.575 416 L N 2.069 123.380 121.223 0.145 0.000 2.323 416 L HA 0.758 5.098 4.340 -0.000 0.000 0.265 416 L C -0.351 176.613 176.870 0.157 0.000 1.012 416 L CA -1.380 53.461 54.840 0.002 0.000 0.820 416 L CB 2.207 44.232 42.059 -0.057 0.000 1.334 416 L HN 0.658 nan 8.230 nan 0.000 0.427 417 R N 0.947 121.489 120.500 0.069 0.000 2.604 417 R HA 0.851 5.191 4.340 -0.000 0.000 0.281 417 R C -1.893 174.290 176.300 -0.195 0.000 1.020 417 R CA -0.340 55.687 56.100 -0.121 0.000 0.899 417 R CB 2.262 32.373 30.300 -0.315 0.000 1.205 417 R HN 0.820 nan 8.270 nan 0.000 0.450 418 A N 1.852 124.522 122.820 -0.250 0.000 2.549 418 A HA 0.809 5.129 4.320 -0.000 0.000 0.297 418 A C -1.104 176.398 177.584 -0.137 0.000 1.061 418 A CA -0.338 51.635 52.037 -0.107 0.000 0.690 418 A CB 1.968 20.895 19.000 -0.121 0.000 1.287 418 A HN 0.830 nan 8.150 nan 0.000 0.402 419 G N -0.797 108.035 108.800 0.054 0.000 3.105 419 G HA2 0.946 4.906 3.960 -0.000 0.000 0.277 419 G HA3 0.946 4.906 3.960 -0.000 0.000 0.277 419 G C -0.668 174.297 174.900 0.108 0.000 1.375 419 G CA -0.147 45.011 45.100 0.095 0.000 0.962 419 G HN 2.061 nan 8.290 nan 0.000 0.541 420 A N -1.509 121.434 122.820 0.205 0.000 2.574 420 A HA 0.783 5.103 4.320 -0.000 0.000 0.297 420 A C -0.095 177.592 177.584 0.171 0.000 1.062 420 A CA 0.024 52.172 52.037 0.185 0.000 0.686 420 A CB 1.424 20.572 19.000 0.246 0.000 1.285 420 A HN 1.789 nan 8.150 nan 0.000 0.403 421 G N 1.325 110.198 108.800 0.122 0.000 2.349 421 G HA2 0.506 4.466 3.960 -0.000 0.000 0.281 421 G HA3 0.506 4.466 3.960 -0.000 0.000 0.281 421 G C -0.261 174.690 174.900 0.085 0.000 1.182 421 G CA -0.177 44.982 45.100 0.098 0.000 0.899 421 G HN 0.479 nan 8.290 nan 0.000 0.455 422 I N 3.849 124.464 120.570 0.074 0.000 2.336 422 I HA 0.418 4.588 4.170 -0.000 0.000 0.292 422 I C 0.657 176.788 176.117 0.024 0.000 0.991 422 I CA -0.782 60.548 61.300 0.050 0.000 1.227 422 I CB 0.713 38.739 38.000 0.043 0.000 1.366 422 I HN 0.477 nan 8.210 nan 0.000 0.466 423 I N 1.281 121.841 120.570 -0.016 0.000 3.294 423 I HA 0.510 4.680 4.170 -0.000 0.000 0.311 423 I C 1.167 177.238 176.117 -0.077 0.000 1.111 423 I CA -0.850 60.394 61.300 -0.093 0.000 0.976 423 I CB 1.614 39.536 38.000 -0.129 0.000 1.260 423 I HN 0.519 nan 8.210 nan 0.000 0.474 424 E N 0.642 120.777 120.200 -0.110 0.000 2.130 424 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 424 E C 1.256 177.832 176.600 -0.040 0.000 0.998 424 E CA 2.241 58.598 56.400 -0.072 0.000 0.806 424 E CB 0.164 29.825 29.700 -0.065 0.000 0.738 424 E HN 0.720 nan 8.360 nan 0.000 0.459 425 E N 0.141 120.325 120.200 -0.027 0.000 2.489 425 E HA 0.083 4.433 4.350 -0.000 0.000 0.193 425 E C 0.018 176.618 176.600 -0.000 0.000 1.057 425 E CA -0.043 56.352 56.400 -0.008 0.000 0.866 425 E CB 0.514 30.216 29.700 0.003 0.000 0.916 425 E HN -0.035 nan 8.360 nan 0.000 0.500 426 S N 1.669 117.367 115.700 -0.003 0.000 2.552 426 S HA 0.024 4.494 4.470 -0.000 0.000 0.289 426 S C 0.151 174.758 174.600 0.011 0.000 1.304 426 S CA 0.120 58.327 58.200 0.012 0.000 1.063 426 S CB 0.375 63.583 63.200 0.013 0.000 0.848 426 S HN 0.149 nan 8.310 nan 0.000 0.499 427 E N 3.559 123.777 120.200 0.029 0.000 2.133 427 E HA 0.179 4.529 4.350 -0.000 0.000 0.274 427 E C -1.551 175.079 176.600 0.050 0.000 0.930 427 E CA -2.265 54.153 56.400 0.030 0.000 0.770 427 E CB 1.240 30.962 29.700 0.036 0.000 1.104 427 E HN 0.342 nan 8.360 nan 0.000 0.403 428 P HA -0.261 nan 4.420 nan 0.000 0.216 428 P C 1.117 178.505 177.300 0.147 0.000 1.154 428 P CA 1.362 64.487 63.100 0.041 0.000 0.865 428 P CB 0.547 32.236 31.700 -0.017 0.000 0.789 429 E N -0.243 120.021 120.200 0.107 0.000 2.072 429 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 429 E C 2.334 179.051 176.600 0.194 0.000 0.985 429 E CA 0.969 57.452 56.400 0.140 0.000 0.801 429 E CB -0.682 29.059 29.700 0.068 0.000 0.750 429 E HN -0.160 nan 8.360 nan 0.000 0.452 430 R N 0.584 121.168 120.500 0.140 0.000 2.075 430 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 430 R C 1.743 178.141 176.300 0.164 0.000 1.126 430 R CA 1.311 57.487 56.100 0.127 0.000 0.963 430 R CB -0.343 30.008 30.300 0.085 0.000 0.858 430 R HN 0.199 nan 8.270 nan 0.000 0.435 431 E N -0.449 119.877 120.200 0.211 0.000 2.106 431 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 431 E C 1.765 178.600 176.600 0.391 0.000 0.984 431 E CA 0.665 57.235 56.400 0.284 0.000 0.806 431 E CB -0.506 29.374 29.700 0.299 0.000 0.750 431 E HN 0.261 nan 8.360 nan 0.000 0.458 432 F N 2.254 122.401 119.950 0.329 0.000 2.134 432 F HA -0.201 4.326 4.527 0.000 0.000 0.299 432 F C 2.365 178.190 175.800 0.043 0.000 1.097 432 F CA 1.703 59.835 58.000 0.219 0.000 1.264 432 F CB 0.079 39.212 39.000 0.222 0.000 1.001 432 F HN -0.050 nan 8.300 nan 0.000 0.479 433 E N 0.775 121.084 120.200 0.182 0.000 2.110 433 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 433 E C 2.112 178.686 176.600 -0.043 0.000 0.988 433 E CA 1.707 58.141 56.400 0.056 0.000 0.804 433 E CB -0.493 29.270 29.700 0.105 0.000 0.745 433 E HN 0.632 nan 8.360 nan 0.000 0.458 434 E N -0.678 119.519 120.200 -0.006 0.000 2.110 434 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 434 E C 1.805 178.343 176.600 -0.104 0.000 0.988 434 E CA 1.926 58.312 56.400 -0.022 0.000 0.804 434 E CB -0.194 29.527 29.700 0.035 0.000 0.745 434 E HN 0.490 nan 8.360 nan 0.000 0.458 435 T N -1.641 112.777 114.554 -0.226 0.000 2.867 435 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 435 T C 2.184 176.690 174.700 -0.324 0.000 1.057 435 T CA 1.229 63.122 62.100 -0.345 0.000 1.136 435 T CB -0.824 67.641 68.868 -0.671 0.000 0.874 435 T HN 0.252 nan 8.240 nan 0.000 0.466 436 C N 2.068 121.157 119.300 -0.351 0.000 2.446 436 C HA 0.145 4.605 4.460 -0.000 0.000 0.277 436 C C 3.591 178.494 174.990 -0.145 0.000 1.275 436 C CA 1.018 59.883 59.018 -0.254 0.000 1.727 436 C CB -1.500 26.116 27.740 -0.206 0.000 2.010 436 C HN 0.847 nan 8.230 nan 0.000 0.486 437 E N 1.261 121.397 120.200 -0.107 0.000 2.077 437 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 437 E C 1.840 178.409 176.600 -0.051 0.000 0.989 437 E CA 1.710 58.072 56.400 -0.063 0.000 0.800 437 E CB -0.581 29.097 29.700 -0.037 0.000 0.746 437 E HN 0.780 nan 8.360 nan 0.000 0.452 438 K N -0.356 120.010 120.400 -0.055 0.000 2.057 438 K HA 0.091 4.411 4.320 -0.000 0.000 0.206 438 K C 2.398 178.981 176.600 -0.029 0.000 1.050 438 K CA 1.232 57.506 56.287 -0.022 0.000 0.935 438 K CB -0.235 32.258 32.500 -0.013 0.000 0.715 438 K HN 0.303 nan 8.250 nan 0.000 0.439 439 L N 1.417 122.595 121.223 -0.075 0.000 2.191 439 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 439 L C 2.410 179.236 176.870 -0.073 0.000 1.103 439 L CA 1.177 55.970 54.840 -0.078 0.000 0.769 439 L CB -0.626 41.359 42.059 -0.123 0.000 0.908 439 L HN 0.255 nan 8.230 nan 0.000 0.438 440 S N -1.336 114.317 115.700 -0.079 0.000 2.595 440 S HA -0.128 4.342 4.470 -0.000 0.000 0.235 440 S C 1.798 176.353 174.600 -0.076 0.000 0.974 440 S CA 1.095 59.236 58.200 -0.097 0.000 0.942 440 S CB -0.762 62.384 63.200 -0.089 0.000 0.766 440 S HN 0.590 nan 8.310 nan 0.000 0.536 441 T N -1.136 113.416 114.554 -0.005 0.000 3.100 441 T HA 0.343 4.693 4.350 -0.000 0.000 0.253 441 T C 1.318 176.117 174.700 0.165 0.000 1.118 441 T CA 0.202 62.351 62.100 0.082 0.000 1.058 441 T CB -0.252 68.668 68.868 0.087 0.000 0.953 441 T HN 0.470 nan 8.240 nan 0.000 0.515 442 L N 0.503 121.765 121.223 0.064 0.000 2.758 442 L HA 0.179 4.519 4.340 -0.000 0.000 0.234 442 L C 2.866 179.697 176.870 -0.065 0.000 1.049 442 L CA 0.705 55.607 54.840 0.104 0.000 0.908 442 L CB -0.657 41.441 42.059 0.066 0.000 1.362 442 L HN 0.260 nan 8.230 nan 0.000 0.499 443 T N -1.365 113.107 114.554 -0.138 0.000 2.778 443 T HA -0.080 4.270 4.350 -0.000 0.000 0.269 443 T C -0.547 173.999 174.700 -0.257 0.000 1.050 443 T CA 1.049 63.052 62.100 -0.162 0.000 1.137 443 T CB -1.606 67.182 68.868 -0.133 0.000 0.860 443 T HN 0.198 nan 8.240 nan 0.000 0.468 444 P HA 0.099 nan 4.420 nan 0.000 0.249 444 P C -0.297 176.581 177.300 -0.703 0.000 1.229 444 P CA 0.437 63.132 63.100 -0.674 0.000 0.788 444 P CB -0.246 30.917 31.700 -0.894 0.000 1.072 445 Y N -0.413 119.853 120.300 -0.056 0.000 2.696 445 Y HA 0.322 4.872 4.550 0.000 0.000 0.260 445 Y C 0.970 176.862 175.900 -0.012 0.000 1.165 445 Y CA -0.925 57.153 58.100 -0.036 0.000 1.189 445 Y CB -0.382 38.062 38.460 -0.027 0.000 1.180 445 Y HN -0.215 nan 8.280 nan 0.000 0.538 446 L N 1.619 122.885 121.223 0.072 0.000 2.315 446 L HA 0.303 4.643 4.340 -0.000 0.000 0.283 446 L C -0.258 176.694 176.870 0.136 0.000 1.089 446 L CA -0.567 54.327 54.840 0.090 0.000 0.833 446 L CB 0.540 42.673 42.059 0.122 0.000 1.170 446 L HN -0.130 nan 8.230 nan 0.000 0.442 447 V N 3.580 123.554 119.914 0.099 0.000 2.383 447 V HA 0.418 4.538 4.120 -0.000 0.000 0.275 447 V C 0.800 176.971 176.094 0.128 0.000 1.036 447 V CA -0.598 61.751 62.300 0.082 0.000 0.889 447 V CB 1.269 33.125 31.823 0.055 0.000 0.985 447 V HN 0.899 nan 8.190 nan 0.000 0.459 448 A N 6.214 129.088 122.820 0.090 0.000 2.406 448 A HA 0.760 5.080 4.320 -0.000 0.000 0.243 448 A C 0.565 178.213 177.584 0.107 0.000 1.082 448 A CA 0.065 52.176 52.037 0.123 0.000 0.786 448 A CB 0.178 19.065 19.000 -0.188 0.000 1.029 448 A HN 0.998 nan 8.150 nan 0.000 0.495 449 R N 0.000 120.594 120.500 0.156 0.000 2.786 449 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 449 R CA 0.000 56.173 56.100 0.121 0.000 0.921 449 R CB 0.000 30.342 30.300 0.071 0.000 0.687 449 R HN 0.000 nan 8.270 nan 0.000 0.535