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 3cok_1_A DATA FIRST_RESID -1 DATA SEQUENCE SLATCIGEKI EDFKVGNLLG KGSFAGVYRA ESIHTGLEVA IKMIDKKAMY DATA SEQUENCE KAGMVQRVQN EVKIHCQLKH PSILELYNYF EDSNYVYLVL EMCHNGEMNR DATA SEQUENCE YLKNRVKPFS ENEARHFMHQ IITGMLYLHS HGILHRDLTL SNLLLTRNMN DATA SEQUENCE IKIADFGLAT QLKXXXXXXX XXXXXXXXXX XXXXXXXXXX XESDVWSLGC DATA SEQUENCE MFYTLLIGRP PFDTDTVKXX XXXVVLADYE MPSFLSIEAK DLIHQLLRRN DATA SEQUENCE PADRLSLSSV LDHPFMS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.605 174.600 0.008 0.000 1.055 -1 S CA 0.000 58.205 58.200 0.008 0.000 1.107 -1 S CB 0.000 63.211 63.200 0.018 0.000 0.593 0 L N 1.060 122.292 121.223 0.014 0.000 2.046 0 L HA -0.033 4.307 4.340 -0.001 0.000 0.208 0 L C 2.701 179.581 176.870 0.018 0.000 1.077 0 L CA 2.705 57.550 54.840 0.007 0.000 0.747 0 L CB -1.472 40.592 42.059 0.008 0.000 0.896 0 L HN 1.036 nan 8.230 nan 0.000 0.432 1 A N -0.011 122.838 122.820 0.048 0.000 1.892 1 A HA -0.275 4.044 4.320 -0.001 0.000 0.218 1 A C 2.281 179.906 177.584 0.069 0.000 1.188 1 A CA 2.778 54.866 52.037 0.085 0.000 0.631 1 A CB -1.163 17.896 19.000 0.098 0.000 0.822 1 A HN 0.642 nan 8.150 nan 0.000 0.447 2 T N -2.945 111.628 114.554 0.031 0.000 2.821 2 T HA -0.186 4.163 4.350 -0.001 0.000 0.267 2 T C 1.852 176.551 174.700 -0.001 0.000 1.046 2 T CA 1.465 63.568 62.100 0.005 0.000 1.139 2 T CB -1.185 67.678 68.868 -0.007 0.000 0.871 2 T HN 0.421 nan 8.240 nan 0.000 0.454 3 C N 0.914 120.218 119.300 0.006 0.000 2.429 3 C HA 0.151 4.610 4.460 -0.001 0.000 0.277 3 C C 2.758 177.728 174.990 -0.033 0.000 1.262 3 C CA 0.083 59.110 59.018 0.015 0.000 1.733 3 C CB -1.317 26.421 27.740 -0.003 0.000 2.010 3 C HN 0.570 nan 8.230 nan 0.000 0.483 4 I N 0.289 120.833 120.570 -0.043 0.000 2.179 4 I HA 0.071 4.240 4.170 -0.001 0.000 0.242 4 I C 1.303 177.265 176.117 -0.257 0.000 1.088 4 I CA 1.765 63.023 61.300 -0.070 0.000 1.357 4 I CB -0.520 37.497 38.000 0.028 0.000 1.051 4 I HN 0.549 nan 8.210 nan 0.000 0.409 5 G N 0.591 109.312 108.800 -0.132 0.000 2.318 5 G HA2 0.138 4.097 3.960 -0.001 0.000 0.302 5 G HA3 0.138 4.097 3.960 -0.001 0.000 0.302 5 G C -0.281 174.638 174.900 0.032 0.000 1.633 5 G CA -0.153 44.737 45.100 -0.349 0.000 0.965 5 G HN 0.368 nan 8.290 nan 0.000 0.698 6 E N -0.563 119.490 120.200 -0.245 0.000 2.715 6 E HA 0.308 4.657 4.350 -0.001 0.000 0.224 6 E C 0.418 176.362 176.600 -1.093 0.000 0.962 6 E CA -0.202 55.973 56.400 -0.374 0.000 1.145 6 E CB 0.550 30.147 29.700 -0.173 0.000 1.083 6 E HN 0.722 nan 8.360 nan 0.000 0.506 7 K N -0.389 119.267 120.400 -1.240 0.000 2.555 7 K HA 0.310 4.629 4.320 -0.001 0.000 0.279 7 K C -0.082 176.123 176.600 -0.657 0.000 0.986 7 K CA -0.884 54.669 56.287 -1.223 0.000 0.880 7 K CB 1.092 33.295 32.500 -0.494 0.000 1.474 7 K HN -0.068 nan 8.250 nan 0.000 0.433 8 I N 1.521 121.889 120.570 -0.337 0.000 2.614 8 I HA -0.122 4.047 4.170 -0.001 0.000 0.258 8 I C 1.325 177.436 176.117 -0.010 0.000 1.189 8 I CA 1.451 62.688 61.300 -0.104 0.000 1.462 8 I CB -0.366 37.447 38.000 -0.311 0.000 1.092 8 I HN 0.749 nan 8.210 nan 0.000 0.442 9 E N 0.262 120.403 120.200 -0.099 0.000 2.338 9 E HA -0.149 4.201 4.350 -0.001 0.000 0.197 9 E C 1.418 177.911 176.600 -0.178 0.000 1.007 9 E CA 0.760 57.100 56.400 -0.101 0.000 0.849 9 E CB -0.242 29.399 29.700 -0.099 0.000 0.774 9 E HN 0.438 nan 8.360 nan 0.000 0.506 10 D N -0.845 119.375 120.400 -0.299 0.000 2.349 10 D HA 0.015 4.654 4.640 -0.001 0.000 0.224 10 D C -0.499 175.278 176.300 -0.872 0.000 1.029 10 D CA 0.458 54.057 54.000 -0.669 0.000 0.879 10 D CB 0.145 40.428 40.800 -0.863 0.000 0.906 10 D HN 0.097 nan 8.370 nan 0.000 0.528 11 F N 0.245 120.094 119.950 -0.169 0.000 2.551 11 F HA 0.302 4.828 4.527 -0.001 0.000 0.316 11 F C 0.600 176.350 175.800 -0.082 0.000 1.089 11 F CA -1.172 56.766 58.000 -0.104 0.000 0.915 11 F CB 1.849 40.819 39.000 -0.050 0.000 1.186 11 F HN -0.521 nan 8.300 nan 0.000 0.456 12 K N 3.026 123.492 120.400 0.110 0.000 2.267 12 K HA 0.486 4.805 4.320 -0.001 0.000 0.282 12 K C -1.268 175.387 176.600 0.091 0.000 1.078 12 K CA -0.246 56.082 56.287 0.068 0.000 0.903 12 K CB 0.862 33.385 32.500 0.037 0.000 1.111 12 K HN 0.529 nan 8.250 nan 0.000 0.475 13 V N 4.378 124.326 119.914 0.057 0.000 2.406 13 V HA 0.254 4.373 4.120 -0.001 0.000 0.272 13 V C 1.040 177.164 176.094 0.051 0.000 1.043 13 V CA -0.310 62.012 62.300 0.036 0.000 0.915 13 V CB 1.133 32.920 31.823 -0.061 0.000 0.988 13 V HN 0.987 nan 8.190 nan 0.000 0.466 14 G N 4.275 113.130 108.800 0.092 0.000 2.882 14 G HA2 0.227 4.187 3.960 -0.001 0.000 0.164 14 G HA3 0.227 4.187 3.960 -0.001 0.000 0.164 14 G C -0.005 174.994 174.900 0.165 0.000 1.429 14 G CA -0.573 44.588 45.100 0.102 0.000 1.059 14 G HN 0.562 nan 8.290 nan 0.000 0.581 15 N N -0.530 118.251 118.700 0.136 0.000 2.493 15 N HA 0.275 5.015 4.740 -0.001 0.000 0.275 15 N C -0.318 175.243 175.510 0.085 0.000 1.186 15 N CA -0.558 52.572 53.050 0.134 0.000 0.978 15 N CB 1.713 40.239 38.487 0.066 0.000 1.184 15 N HN 0.266 nan 8.380 nan 0.000 0.487 16 L N 1.525 122.730 121.223 -0.030 0.000 2.499 16 L HA 0.046 4.386 4.340 -0.001 0.000 0.273 16 L C 0.839 177.577 176.870 -0.221 0.000 1.195 16 L CA 0.502 55.123 54.840 -0.365 0.000 0.882 16 L CB 0.235 42.086 42.059 -0.347 0.000 1.133 16 L HN 0.546 nan 8.230 nan 0.000 0.483 17 L N 4.497 125.563 121.223 -0.262 0.000 2.463 17 L HA 0.480 4.819 4.340 -0.001 0.000 0.219 17 L C 0.882 177.665 176.870 -0.145 0.000 1.088 17 L CA 0.406 55.155 54.840 -0.152 0.000 0.849 17 L CB -0.202 41.782 42.059 -0.126 0.000 1.012 17 L HN 0.858 nan 8.230 nan 0.000 0.468 18 G N -0.291 108.387 108.800 -0.204 0.000 2.384 18 G HA2 0.176 4.135 3.960 -0.001 0.000 0.300 18 G HA3 0.176 4.135 3.960 -0.001 0.000 0.300 18 G C -1.677 173.117 174.900 -0.177 0.000 1.582 18 G CA -0.848 44.160 45.100 -0.153 0.000 0.875 18 G HN -0.297 nan 8.290 nan 0.000 0.628 19 K N 0.223 120.548 120.400 -0.125 0.000 2.130 19 K HA 0.723 5.042 4.320 -0.001 0.000 0.268 19 K C 0.655 177.207 176.600 -0.080 0.000 0.983 19 K CA -0.074 56.153 56.287 -0.100 0.000 0.893 19 K CB 2.101 34.566 32.500 -0.058 0.000 1.066 19 K HN 0.776 nan 8.250 nan 0.000 0.450 20 G N 0.030 108.777 108.800 -0.088 0.000 2.971 20 G HA2 0.153 4.113 3.960 -0.001 0.000 0.235 20 G HA3 0.153 4.113 3.960 -0.001 0.000 0.235 20 G C 0.894 175.769 174.900 -0.041 0.000 1.351 20 G CA -0.364 44.685 45.100 -0.085 0.000 1.039 20 G HN 0.468 nan 8.290 nan 0.000 0.563 21 S N -0.771 114.917 115.700 -0.020 0.000 2.369 21 S HA -0.142 4.327 4.470 -0.001 0.000 0.225 21 S C 1.162 175.920 174.600 0.263 0.000 1.043 21 S CA 2.321 60.608 58.200 0.144 0.000 1.074 21 S CB -0.463 62.921 63.200 0.306 0.000 0.962 21 S HN 0.631 nan 8.310 nan 0.000 0.433 22 F N -1.196 118.743 119.950 -0.019 0.000 2.733 22 F HA 0.824 5.350 4.527 -0.001 0.000 0.380 22 F C -0.490 175.306 175.800 -0.006 0.000 1.324 22 F CA -0.766 57.224 58.000 -0.017 0.000 1.178 22 F CB 0.275 39.254 39.000 -0.035 0.000 1.093 22 F HN 0.163 nan 8.300 nan 0.000 0.512 23 A N 0.239 122.989 122.820 -0.116 0.000 2.594 23 A HA 0.825 5.144 4.320 -0.001 0.000 0.295 23 A C -0.747 176.798 177.584 -0.066 0.000 1.071 23 A CA -0.505 51.464 52.037 -0.113 0.000 0.685 23 A CB 1.020 19.866 19.000 -0.256 0.000 1.285 23 A HN 0.626 nan 8.150 nan 0.000 0.405 24 G N -0.228 108.561 108.800 -0.018 0.000 2.416 24 G HA2 0.588 4.548 3.960 -0.001 0.000 0.329 24 G HA3 0.588 4.548 3.960 -0.001 0.000 0.329 24 G C -1.144 173.687 174.900 -0.116 0.000 1.173 24 G CA -0.499 44.549 45.100 -0.086 0.000 0.929 24 G HN 1.036 nan 8.290 nan 0.000 0.475 25 V N 2.023 121.764 119.914 -0.288 0.000 2.417 25 V HA 0.428 4.547 4.120 -0.001 0.000 0.291 25 V C -1.043 174.818 176.094 -0.388 0.000 1.024 25 V CA -0.678 61.501 62.300 -0.203 0.000 0.861 25 V CB 0.706 32.437 31.823 -0.152 0.000 0.985 25 V HN 0.656 nan 8.190 nan 0.000 0.436 26 Y N 3.390 123.645 120.300 -0.076 0.000 2.429 26 Y HA 0.622 5.172 4.550 -0.001 0.000 0.342 26 Y C 0.796 176.663 175.900 -0.055 0.000 1.004 26 Y CA -1.109 56.957 58.100 -0.057 0.000 1.075 26 Y CB 1.584 40.011 38.460 -0.055 0.000 1.214 26 Y HN 0.600 nan 8.280 nan 0.000 0.455 27 R N 1.798 122.349 120.500 0.085 0.000 2.543 27 R HA 0.800 5.139 4.340 -0.001 0.000 0.277 27 R C -0.773 175.583 176.300 0.092 0.000 1.074 27 R CA -0.518 55.614 56.100 0.053 0.000 1.076 27 R CB 0.520 30.835 30.300 0.024 0.000 0.993 27 R HN 0.649 nan 8.270 nan 0.000 0.459 28 A N 1.389 124.256 122.820 0.078 0.000 2.609 28 A HA 0.455 4.774 4.320 -0.001 0.000 0.291 28 A C -1.487 176.183 177.584 0.143 0.000 1.096 28 A CA -0.854 51.248 52.037 0.107 0.000 0.684 28 A CB 2.011 21.059 19.000 0.080 0.000 1.282 28 A HN 0.818 nan 8.150 nan 0.000 0.412 29 E N 0.329 120.633 120.200 0.173 0.000 2.222 29 E HA 0.511 4.861 4.350 -0.001 0.000 0.267 29 E C -0.478 176.239 176.600 0.196 0.000 0.884 29 E CA -0.433 56.062 56.400 0.159 0.000 0.764 29 E CB 1.615 31.369 29.700 0.089 0.000 1.169 29 E HN 0.751 nan 8.360 nan 0.000 0.413 30 S N 4.406 120.198 115.700 0.154 0.000 2.510 30 S HA 0.107 4.577 4.470 -0.001 0.000 0.279 30 S C 1.192 175.671 174.600 -0.203 0.000 1.284 30 S CA -0.297 57.835 58.200 -0.114 0.000 1.059 30 S CB 0.295 63.435 63.200 -0.100 0.000 0.901 30 S HN 0.630 nan 8.310 nan 0.000 0.491 31 I N 3.912 124.254 120.570 -0.380 0.000 2.252 31 I HA -0.125 4.044 4.170 -0.001 0.000 0.245 31 I C 1.853 177.893 176.117 -0.127 0.000 1.102 31 I CA 1.334 62.482 61.300 -0.253 0.000 1.385 31 I CB -0.304 37.513 38.000 -0.304 0.000 1.064 31 I HN 0.827 nan 8.210 nan 0.000 0.414 32 H N -1.628 117.336 119.070 -0.178 0.000 2.551 32 H HA 0.033 4.588 4.556 -0.001 0.000 0.266 32 H C 1.674 176.939 175.328 -0.104 0.000 0.977 32 H CA 0.545 56.513 56.048 -0.134 0.000 1.163 32 H CB 0.457 30.129 29.762 -0.150 0.000 1.381 32 H HN 0.167 nan 8.280 nan 0.000 0.581 33 T N -2.088 112.461 114.554 -0.008 0.000 3.010 33 T HA 0.204 4.554 4.350 -0.001 0.000 0.253 33 T C 1.675 176.362 174.700 -0.022 0.000 0.939 33 T CA 0.675 62.760 62.100 -0.024 0.000 0.910 33 T CB 0.496 69.330 68.868 -0.057 0.000 1.226 33 T HN 0.557 nan 8.240 nan 0.000 0.508 34 G N 1.604 110.391 108.800 -0.022 0.000 2.205 34 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.261 34 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.261 34 G C 0.100 175.008 174.900 0.014 0.000 0.980 34 G CA 0.465 45.565 45.100 -0.001 0.000 0.632 34 G HN 0.610 nan 8.290 nan 0.000 0.533 35 L N 1.874 123.098 121.223 0.002 0.000 2.455 35 L HA 0.554 4.894 4.340 -0.001 0.000 0.272 35 L C 0.599 177.513 176.870 0.073 0.000 1.174 35 L CA -0.176 54.673 54.840 0.014 0.000 0.869 35 L CB 0.403 42.427 42.059 -0.059 0.000 1.130 35 L HN 0.302 nan 8.230 nan 0.000 0.474 36 E N 4.014 124.273 120.200 0.099 0.000 2.354 36 E HA 0.448 4.797 4.350 -0.001 0.000 0.269 36 E C -0.693 175.996 176.600 0.150 0.000 1.036 36 E CA -0.164 56.313 56.400 0.128 0.000 0.876 36 E CB 1.287 31.078 29.700 0.153 0.000 1.009 36 E HN 0.593 nan 8.360 nan 0.000 0.416 37 V N -1.488 118.511 119.914 0.141 0.000 3.181 37 V HA 0.847 4.966 4.120 -0.001 0.000 0.308 37 V C -1.070 175.055 176.094 0.051 0.000 1.214 37 V CA -1.178 61.215 62.300 0.156 0.000 1.053 37 V CB 1.792 33.738 31.823 0.206 0.000 1.069 37 V HN 0.650 nan 8.190 nan 0.000 0.441 38 A N 2.347 125.176 122.820 0.016 0.000 2.271 38 A HA 0.850 5.169 4.320 -0.001 0.000 0.317 38 A C -0.472 177.080 177.584 -0.053 0.000 1.245 38 A CA -0.597 51.423 52.037 -0.028 0.000 0.857 38 A CB 0.321 19.290 19.000 -0.052 0.000 1.175 38 A HN 0.857 nan 8.150 nan 0.000 0.512 39 I N 2.435 122.975 120.570 -0.049 0.000 2.304 39 I HA 0.211 4.381 4.170 -0.001 0.000 0.291 39 I C 0.314 176.427 176.117 -0.007 0.000 1.018 39 I CA -0.444 60.805 61.300 -0.085 0.000 1.260 39 I CB 1.424 39.329 38.000 -0.159 0.000 1.390 39 I HN 0.682 nan 8.210 nan 0.000 0.475 40 K N 8.093 128.459 120.400 -0.056 0.000 2.285 40 K HA 0.412 4.731 4.320 -0.001 0.000 0.286 40 K C -0.644 175.907 176.600 -0.082 0.000 1.072 40 K CA -0.204 56.046 56.287 -0.060 0.000 0.913 40 K CB 0.619 33.062 32.500 -0.096 0.000 1.067 40 K HN 0.549 nan 8.250 nan 0.000 0.479 41 M N 6.710 126.266 119.600 -0.074 0.000 2.152 41 M HA 0.280 4.759 4.480 -0.001 0.000 0.354 41 M C -0.639 175.604 176.300 -0.094 0.000 1.173 41 M CA -0.471 54.695 55.300 -0.223 0.000 1.110 41 M CB 0.557 32.918 32.600 -0.398 0.000 1.366 41 M HN 0.428 nan 8.290 nan 0.000 0.415 42 I N 2.454 122.970 120.570 -0.090 0.000 2.396 42 I HA 0.055 4.224 4.170 -0.001 0.000 0.289 42 I C 0.518 176.703 176.117 0.114 0.000 1.056 42 I CA -0.301 60.984 61.300 -0.025 0.000 1.365 42 I CB 0.527 38.479 38.000 -0.079 0.000 1.407 42 I HN 0.522 nan 8.210 nan 0.000 0.509 43 D N 6.700 127.191 120.400 0.152 0.000 2.339 43 D HA 0.045 4.685 4.640 -0.001 0.000 0.256 43 D C 0.826 177.057 176.300 -0.115 0.000 1.214 43 D CA 0.129 54.156 54.000 0.045 0.000 0.877 43 D CB 1.060 41.924 40.800 0.108 0.000 1.111 43 D HN 0.404 nan 8.370 nan 0.000 0.478 44 K N 2.899 123.120 120.400 -0.298 0.000 2.057 44 K HA -0.138 4.182 4.320 -0.001 0.000 0.206 44 K C 2.263 178.544 176.600 -0.533 0.000 1.050 44 K CA 1.628 57.633 56.287 -0.471 0.000 0.935 44 K CB 0.023 32.271 32.500 -0.421 0.000 0.715 44 K HN 0.427 nan 8.250 nan 0.000 0.439 45 K N 1.105 121.386 120.400 -0.199 0.000 2.020 45 K HA -0.106 4.214 4.320 -0.001 0.000 0.212 45 K C 2.187 178.761 176.600 -0.044 0.000 1.050 45 K CA 1.814 58.096 56.287 -0.009 0.000 0.929 45 K CB -1.321 31.179 32.500 -0.000 0.000 0.714 45 K HN 0.305 nan 8.250 nan 0.000 0.443 46 A N 0.416 123.194 122.820 -0.070 0.000 1.933 46 A HA -0.043 4.276 4.320 -0.001 0.000 0.218 46 A C 2.429 179.897 177.584 -0.194 0.000 1.175 46 A CA 2.066 54.063 52.037 -0.065 0.000 0.628 46 A CB -0.419 18.604 19.000 0.038 0.000 0.814 46 A HN 0.663 nan 8.150 nan 0.000 0.444 47 M N -1.278 118.189 119.600 -0.222 0.000 2.065 47 M HA -0.218 4.261 4.480 -0.001 0.000 0.259 47 M C 2.074 178.216 176.300 -0.263 0.000 1.069 47 M CA 2.046 57.147 55.300 -0.332 0.000 1.110 47 M CB -0.360 32.073 32.600 -0.278 0.000 1.328 47 M HN 0.581 nan 8.290 nan 0.000 0.405 48 Y N -0.178 120.067 120.300 -0.091 0.000 2.181 48 Y HA -0.244 4.305 4.550 -0.001 0.000 0.288 48 Y C 2.597 178.439 175.900 -0.096 0.000 1.146 48 Y CA 1.321 59.374 58.100 -0.079 0.000 1.164 48 Y CB -0.443 37.985 38.460 -0.053 0.000 0.982 48 Y HN 0.273 nan 8.280 nan 0.000 0.515 49 K N 0.704 121.127 120.400 0.039 0.000 2.057 49 K HA -0.131 4.188 4.320 -0.001 0.000 0.207 49 K C 2.021 178.578 176.600 -0.072 0.000 1.049 49 K CA 1.125 57.405 56.287 -0.012 0.000 0.931 49 K CB -0.234 32.253 32.500 -0.022 0.000 0.714 49 K HN 0.255 nan 8.250 nan 0.000 0.440 50 A N 0.196 122.919 122.820 -0.162 0.000 2.238 50 A HA 0.189 4.508 4.320 -0.001 0.000 0.208 50 A C 1.031 178.503 177.584 -0.186 0.000 1.177 50 A CA 0.695 52.600 52.037 -0.220 0.000 0.804 50 A CB -0.383 18.367 19.000 -0.417 0.000 0.823 50 A HN 0.506 nan 8.150 nan 0.000 0.482 51 G N -0.830 107.898 108.800 -0.120 0.000 2.323 51 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.292 51 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.292 51 G C 0.377 175.216 174.900 -0.102 0.000 1.040 51 G CA 0.632 45.687 45.100 -0.075 0.000 0.942 51 G HN 0.263 nan 8.290 nan 0.000 0.506 52 M N -0.174 119.324 119.600 -0.169 0.000 2.475 52 M HA 0.215 4.694 4.480 -0.001 0.000 0.283 52 M C 2.182 178.460 176.300 -0.037 0.000 1.165 52 M CA -0.220 54.983 55.300 -0.161 0.000 0.976 52 M CB 0.042 32.368 32.600 -0.456 0.000 1.428 52 M HN 0.138 nan 8.290 nan 0.000 0.495 53 V N 0.649 120.562 119.914 -0.002 0.000 2.255 53 V HA -0.267 3.852 4.120 -0.001 0.000 0.247 53 V C 2.456 178.574 176.094 0.040 0.000 1.051 53 V CA 1.708 64.035 62.300 0.045 0.000 1.018 53 V CB -0.391 31.492 31.823 0.100 0.000 0.641 53 V HN 0.455 nan 8.190 nan 0.000 0.445 54 Q N -0.423 119.394 119.800 0.029 0.000 2.170 54 Q HA -0.197 4.143 4.340 -0.001 0.000 0.203 54 Q C 2.367 178.382 176.000 0.025 0.000 0.976 54 Q CA 1.406 57.223 55.803 0.024 0.000 0.858 54 Q CB -0.488 28.260 28.738 0.015 0.000 0.907 54 Q HN 0.568 nan 8.270 nan 0.000 0.433 55 R N 0.366 120.885 120.500 0.033 0.000 2.081 55 R HA -0.095 4.244 4.340 -0.001 0.000 0.235 55 R C 2.090 178.425 176.300 0.058 0.000 1.131 55 R CA 1.194 57.324 56.100 0.051 0.000 0.960 55 R CB 0.019 30.371 30.300 0.086 0.000 0.856 55 R HN 0.091 nan 8.270 nan 0.000 0.436 56 V N 1.305 121.263 119.914 0.072 0.000 2.453 56 V HA -0.201 3.918 4.120 -0.001 0.000 0.247 56 V C 2.379 178.467 176.094 -0.011 0.000 1.048 56 V CA 1.616 63.944 62.300 0.047 0.000 1.049 56 V CB -0.368 31.498 31.823 0.072 0.000 0.672 56 V HN 0.421 nan 8.190 nan 0.000 0.457 57 Q N -0.048 119.752 119.800 -0.000 0.000 2.084 57 Q HA -0.250 4.090 4.340 -0.001 0.000 0.202 57 Q C 2.180 178.160 176.000 -0.032 0.000 0.978 57 Q CA 1.902 57.692 55.803 -0.020 0.000 0.844 57 Q CB -0.347 28.398 28.738 0.012 0.000 0.898 57 Q HN 0.685 nan 8.270 nan 0.000 0.426 58 N N 1.016 119.711 118.700 -0.008 0.000 2.084 58 N HA -0.227 4.512 4.740 -0.001 0.000 0.190 58 N C 1.654 177.162 175.510 -0.002 0.000 1.030 58 N CA 1.574 54.622 53.050 -0.003 0.000 0.849 58 N CB -0.022 38.469 38.487 0.008 0.000 1.012 58 N HN 0.274 nan 8.380 nan 0.000 0.423 59 E N -0.405 119.798 120.200 0.006 0.000 2.049 59 E HA -0.191 4.159 4.350 -0.001 0.000 0.198 59 E C 1.780 178.384 176.600 0.007 0.000 1.007 59 E CA 1.624 58.047 56.400 0.038 0.000 0.809 59 E CB -0.197 29.524 29.700 0.034 0.000 0.749 59 E HN 0.196 nan 8.360 nan 0.000 0.450 60 V N 1.313 121.157 119.914 -0.116 0.000 2.358 60 V HA -0.212 3.908 4.120 -0.001 0.000 0.246 60 V C 2.557 178.513 176.094 -0.230 0.000 1.047 60 V CA 1.733 63.848 62.300 -0.308 0.000 1.035 60 V CB -0.480 30.961 31.823 -0.637 0.000 0.658 60 V HN 0.270 nan 8.190 nan 0.000 0.452 61 K N -0.132 120.186 120.400 -0.135 0.000 2.009 61 K HA -0.173 4.146 4.320 -0.001 0.000 0.210 61 K C 2.067 178.648 176.600 -0.031 0.000 1.049 61 K CA 1.971 58.225 56.287 -0.054 0.000 0.929 61 K CB -0.354 32.132 32.500 -0.023 0.000 0.714 61 K HN 0.406 nan 8.250 nan 0.000 0.440 62 I N -0.643 119.908 120.570 -0.030 0.000 2.163 62 I HA -0.293 3.876 4.170 -0.001 0.000 0.240 62 I C 2.549 178.601 176.117 -0.110 0.000 1.081 62 I CA 1.383 62.647 61.300 -0.059 0.000 1.353 62 I CB -0.432 37.545 38.000 -0.039 0.000 1.054 62 I HN 0.361 nan 8.210 nan 0.000 0.407 63 H N 0.426 119.362 119.070 -0.224 0.000 2.387 63 H HA -0.231 4.325 4.556 -0.001 0.000 0.299 63 H C 2.513 177.735 175.328 -0.177 0.000 1.090 63 H CA 1.554 57.425 56.048 -0.295 0.000 1.332 63 H CB 0.150 29.823 29.762 -0.147 0.000 1.386 63 H HN 0.631 nan 8.280 nan 0.000 0.516 64 C N 0.515 119.811 119.300 -0.006 0.000 2.449 64 C HA 0.002 4.461 4.460 -0.001 0.000 0.283 64 C C 2.032 177.043 174.990 0.036 0.000 1.453 64 C CA 0.321 59.350 59.018 0.019 0.000 1.779 64 C CB -0.865 26.946 27.740 0.117 0.000 1.779 64 C HN 0.598 nan 8.230 nan 0.000 0.546 65 Q N 0.249 120.055 119.800 0.011 0.000 2.425 65 Q HA 0.344 4.683 4.340 -0.001 0.000 0.204 65 Q C 0.174 176.183 176.000 0.015 0.000 0.933 65 Q CA 0.304 56.117 55.803 0.016 0.000 0.939 65 Q CB 0.188 28.927 28.738 0.001 0.000 1.044 65 Q HN 0.695 nan 8.270 nan 0.000 0.513 66 L N 0.919 122.145 121.223 0.005 0.000 2.317 66 L HA 0.474 4.813 4.340 -0.001 0.000 0.281 66 L C -0.181 176.703 176.870 0.023 0.000 1.024 66 L CA -0.531 54.333 54.840 0.039 0.000 0.810 66 L CB 1.325 43.357 42.059 -0.045 0.000 1.240 66 L HN -0.182 nan 8.230 nan 0.000 0.427 67 K N 3.909 124.303 120.400 -0.009 0.000 2.687 67 K HA 0.350 4.670 4.320 -0.001 0.000 0.249 67 K C -1.809 174.588 176.600 -0.339 0.000 0.994 67 K CA -0.518 55.710 56.287 -0.099 0.000 0.913 67 K CB 1.154 33.648 32.500 -0.010 0.000 1.202 67 K HN 0.663 nan 8.250 nan 0.000 0.460 68 H N 4.091 122.873 119.070 -0.480 0.000 3.123 68 H HA 0.196 4.752 4.556 -0.001 0.000 0.346 68 H C -2.517 172.658 175.328 -0.256 0.000 1.138 68 H CA -1.053 54.672 56.048 -0.539 0.000 1.273 68 H CB 2.404 31.495 29.762 -1.118 0.000 1.926 68 H HN 0.228 nan 8.280 nan 0.000 0.524 69 P HA -0.027 nan 4.420 nan 0.000 0.225 69 P C 0.774 178.087 177.300 0.022 0.000 1.148 69 P CA 0.939 63.950 63.100 -0.150 0.000 0.779 69 P CB 0.358 31.938 31.700 -0.200 0.000 0.780 70 S N -1.165 114.680 115.700 0.242 0.000 2.575 70 S HA 0.115 4.585 4.470 -0.001 0.000 0.215 70 S C 0.786 175.451 174.600 0.109 0.000 0.966 70 S CA 0.187 58.495 58.200 0.180 0.000 0.911 70 S CB -0.054 63.251 63.200 0.175 0.000 0.780 70 S HN 0.019 nan 8.310 nan 0.000 0.514 71 I N 2.347 122.983 120.570 0.110 0.000 2.378 71 I HA 0.337 4.507 4.170 -0.001 0.000 0.291 71 I C -0.150 176.039 176.117 0.119 0.000 0.992 71 I CA -1.417 59.953 61.300 0.117 0.000 1.154 71 I CB 0.876 38.927 38.000 0.085 0.000 1.315 71 I HN 0.078 nan 8.210 nan 0.000 0.448 72 L N 5.813 127.133 121.223 0.161 0.000 2.640 72 L HA -0.075 4.264 4.340 -0.001 0.000 0.280 72 L C 0.651 177.646 176.870 0.209 0.000 1.229 72 L CA 0.782 55.717 54.840 0.157 0.000 0.919 72 L CB -0.034 42.143 42.059 0.197 0.000 1.168 72 L HN 0.659 nan 8.230 nan 0.000 0.496 73 E N 3.693 123.868 120.200 -0.042 0.000 2.259 73 E HA 0.321 4.670 4.350 -0.001 0.000 0.281 73 E C -1.123 175.164 176.600 -0.521 0.000 1.027 73 E CA -0.707 55.559 56.400 -0.223 0.000 0.838 73 E CB 1.018 30.552 29.700 -0.276 0.000 1.066 73 E HN 0.560 nan 8.360 nan 0.000 0.401 74 L N 6.469 127.361 121.223 -0.551 0.000 2.270 74 L HA 0.232 4.571 4.340 -0.001 0.000 0.286 74 L C -0.636 176.092 176.870 -0.236 0.000 1.059 74 L CA 0.140 54.638 54.840 -0.570 0.000 0.839 74 L CB 0.129 41.715 42.059 -0.789 0.000 1.221 74 L HN 0.774 nan 8.230 nan 0.000 0.431 75 Y N 2.923 123.206 120.300 -0.029 0.000 2.263 75 Y HA 0.058 4.608 4.550 -0.001 0.000 0.292 75 Y C 1.214 177.165 175.900 0.085 0.000 1.130 75 Y CA 0.269 58.394 58.100 0.041 0.000 1.179 75 Y CB 0.300 38.805 38.460 0.076 0.000 0.998 75 Y HN 0.705 nan 8.280 nan 0.000 0.532 76 N N -1.715 117.143 118.700 0.263 0.000 3.227 76 N HA 0.182 4.921 4.740 -0.001 0.000 0.241 76 N C -2.106 173.552 175.510 0.246 0.000 1.480 76 N CA -0.863 52.337 53.050 0.250 0.000 0.886 76 N CB 1.232 39.908 38.487 0.315 0.000 1.406 76 N HN 0.018 nan 8.380 nan 0.000 0.514 77 Y N -0.562 119.809 120.300 0.118 0.000 2.558 77 Y HA 0.755 5.305 4.550 -0.001 0.000 0.333 77 Y C -1.613 174.373 175.900 0.143 0.000 1.125 77 Y CA -1.250 56.822 58.100 -0.047 0.000 1.039 77 Y CB 0.609 39.038 38.460 -0.051 0.000 1.331 77 Y HN 0.462 nan 8.280 nan 0.000 0.456 78 F N -0.241 119.841 119.950 0.221 0.000 2.779 78 F HA 0.839 5.365 4.527 -0.001 0.000 0.316 78 F C -1.463 174.542 175.800 0.341 0.000 1.164 78 F CA -1.197 56.903 58.000 0.166 0.000 0.924 78 F CB 1.927 40.982 39.000 0.092 0.000 1.348 78 F HN 0.718 nan 8.300 nan 0.000 0.467 79 E N 0.067 120.592 120.200 0.542 0.000 2.366 79 E HA 0.545 4.894 4.350 -0.001 0.000 0.278 79 E C -2.196 174.664 176.600 0.434 0.000 0.923 79 E CA -0.875 55.779 56.400 0.423 0.000 0.761 79 E CB 2.949 32.797 29.700 0.245 0.000 1.231 79 E HN 0.688 nan 8.360 nan 0.000 0.443 80 D N 0.968 121.622 120.400 0.423 0.000 2.723 80 D HA 0.190 4.830 4.640 -0.001 0.000 0.247 80 D C 0.967 177.382 176.300 0.192 0.000 1.134 80 D CA 0.018 54.205 54.000 0.311 0.000 1.099 80 D CB 0.303 41.330 40.800 0.378 0.000 1.287 80 D HN 0.380 nan 8.370 nan 0.000 0.634 81 S N -1.216 114.570 115.700 0.143 0.000 2.461 81 S HA -0.066 4.403 4.470 -0.001 0.000 0.228 81 S C 0.976 175.586 174.600 0.018 0.000 1.005 81 S CA 0.539 58.792 58.200 0.088 0.000 0.942 81 S CB -0.515 62.729 63.200 0.074 0.000 0.776 81 S HN 0.422 nan 8.310 nan 0.000 0.514 82 N N 0.073 118.747 118.700 -0.044 0.000 2.415 82 N HA 0.243 4.982 4.740 -0.001 0.000 0.174 82 N C -0.765 174.349 175.510 -0.660 0.000 1.048 82 N CA 0.557 53.397 53.050 -0.350 0.000 0.895 82 N CB 0.166 38.401 38.487 -0.420 0.000 1.036 82 N HN 0.494 nan 8.380 nan 0.000 0.449 83 Y N -0.834 119.376 120.300 -0.150 0.000 2.562 83 Y HA 0.448 4.998 4.550 -0.001 0.000 0.345 83 Y C -0.330 175.344 175.900 -0.377 0.000 1.045 83 Y CA -1.102 56.773 58.100 -0.375 0.000 1.028 83 Y CB 1.577 39.583 38.460 -0.756 0.000 1.297 83 Y HN -0.410 nan 8.280 nan 0.000 0.463 84 V N 2.665 122.481 119.914 -0.163 0.000 2.407 84 V HA 0.260 4.379 4.120 -0.001 0.000 0.278 84 V C -1.025 174.881 176.094 -0.314 0.000 1.037 84 V CA -0.881 61.335 62.300 -0.139 0.000 0.900 84 V CB 0.047 31.842 31.823 -0.047 0.000 0.983 84 V HN 0.558 nan 8.190 nan 0.000 0.459 85 Y N 4.876 125.051 120.300 -0.208 0.000 2.330 85 Y HA 0.610 5.160 4.550 -0.001 0.000 0.336 85 Y C 0.138 175.772 175.900 -0.442 0.000 1.036 85 Y CA -0.765 57.071 58.100 -0.440 0.000 1.125 85 Y CB 1.223 39.159 38.460 -0.874 0.000 1.194 85 Y HN 0.382 nan 8.280 nan 0.000 0.469 86 L N 4.589 125.710 121.223 -0.170 0.000 2.305 86 L HA 0.487 4.826 4.340 -0.001 0.000 0.284 86 L C -0.878 175.893 176.870 -0.165 0.000 1.013 86 L CA -1.116 53.640 54.840 -0.140 0.000 0.819 86 L CB 1.475 43.469 42.059 -0.108 0.000 1.227 86 L HN 0.367 nan 8.230 nan 0.000 0.417 87 V N 5.454 125.284 119.914 -0.140 0.000 2.353 87 V HA 0.326 4.445 4.120 -0.001 0.000 0.264 87 V C 0.287 176.355 176.094 -0.044 0.000 1.049 87 V CA -0.162 62.080 62.300 -0.097 0.000 0.896 87 V CB 0.878 32.714 31.823 0.020 0.000 1.025 87 V HN 0.524 nan 8.190 nan 0.000 0.475 88 L N 2.958 124.129 121.223 -0.087 0.000 2.334 88 L HA 0.532 4.871 4.340 -0.001 0.000 0.272 88 L C 0.566 177.331 176.870 -0.174 0.000 1.020 88 L CA -0.702 54.015 54.840 -0.205 0.000 0.812 88 L CB 1.716 43.699 42.059 -0.126 0.000 1.264 88 L HN 0.574 nan 8.230 nan 0.000 0.439 89 E N 1.810 121.760 120.200 -0.418 0.000 2.608 89 E HA -0.070 4.279 4.350 -0.001 0.000 0.259 89 E C -0.429 176.170 176.600 -0.003 0.000 0.951 89 E CA -0.409 55.912 56.400 -0.132 0.000 0.945 89 E CB 0.703 30.302 29.700 -0.170 0.000 0.916 89 E HN 0.353 nan 8.360 nan 0.000 0.477 90 M N 6.065 125.704 119.600 0.065 0.000 2.143 90 M HA 0.164 4.644 4.480 -0.001 0.000 0.348 90 M C -1.555 174.710 176.300 -0.058 0.000 1.375 90 M CA -0.253 55.019 55.300 -0.046 0.000 1.124 90 M CB 0.136 32.680 32.600 -0.093 0.000 1.669 90 M HN 0.441 nan 8.290 nan 0.000 0.469 91 C N 6.053 125.306 119.300 -0.080 0.000 2.206 91 C HA 0.308 4.767 4.460 -0.001 0.000 0.324 91 C C 1.306 176.276 174.990 -0.034 0.000 1.120 91 C CA -0.555 58.454 59.018 -0.014 0.000 1.546 91 C CB -1.353 26.385 27.740 -0.003 0.000 2.023 91 C HN 0.985 nan 8.230 nan 0.000 0.448 92 H N 0.758 119.853 119.070 0.041 0.000 2.422 92 H HA -0.088 4.467 4.556 -0.001 0.000 0.298 92 H C 1.840 177.206 175.328 0.063 0.000 1.098 92 H CA 1.510 57.588 56.048 0.050 0.000 1.315 92 H CB 0.139 29.934 29.762 0.055 0.000 1.382 92 H HN 0.554 nan 8.280 nan 0.000 0.523 93 N N 0.276 119.079 118.700 0.172 0.000 2.398 93 N HA 0.079 4.818 4.740 -0.001 0.000 0.188 93 N C 0.841 176.439 175.510 0.146 0.000 1.122 93 N CA 0.827 53.980 53.050 0.172 0.000 0.866 93 N CB 0.671 39.220 38.487 0.103 0.000 0.970 93 N HN 0.477 nan 8.380 nan 0.000 0.462 94 G N 1.593 110.437 108.800 0.072 0.000 2.645 94 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.239 94 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.239 94 G C -0.418 174.498 174.900 0.027 0.000 1.331 94 G CA -0.250 44.878 45.100 0.046 0.000 0.890 94 G HN 0.381 nan 8.290 nan 0.000 0.572 95 E N -0.333 119.883 120.200 0.026 0.000 2.373 95 E HA 0.381 4.730 4.350 -0.001 0.000 0.267 95 E C 1.659 178.281 176.600 0.036 0.000 1.032 95 E CA 0.097 56.501 56.400 0.006 0.000 0.889 95 E CB 0.852 30.551 29.700 -0.002 0.000 0.984 95 E HN 0.646 nan 8.360 nan 0.000 0.425 96 M N 5.149 124.741 119.600 -0.013 0.000 2.156 96 M HA -0.152 4.327 4.480 -0.001 0.000 0.264 96 M C 1.656 178.004 176.300 0.080 0.000 1.067 96 M CA 1.808 57.104 55.300 -0.006 0.000 1.131 96 M CB -0.416 32.100 32.600 -0.140 0.000 1.368 96 M HN 0.708 nan 8.290 nan 0.000 0.416 97 N N -0.243 118.481 118.700 0.040 0.000 2.104 97 N HA -0.242 4.497 4.740 -0.001 0.000 0.190 97 N C 1.985 177.533 175.510 0.063 0.000 1.024 97 N CA 1.532 54.611 53.050 0.048 0.000 0.853 97 N CB -0.026 38.473 38.487 0.021 0.000 1.008 97 N HN 0.384 nan 8.380 nan 0.000 0.424 98 R N -0.636 119.902 120.500 0.064 0.000 2.075 98 R HA -0.124 4.216 4.340 -0.001 0.000 0.232 98 R C 2.164 178.514 176.300 0.084 0.000 1.126 98 R CA 1.254 57.388 56.100 0.056 0.000 0.963 98 R CB -0.481 29.846 30.300 0.044 0.000 0.858 98 R HN 0.336 nan 8.270 nan 0.000 0.435 99 Y N 0.406 120.714 120.300 0.014 0.000 2.128 99 Y HA -0.249 4.300 4.550 -0.001 0.000 0.284 99 Y C 1.857 177.764 175.900 0.012 0.000 1.154 99 Y CA 1.815 59.936 58.100 0.034 0.000 1.149 99 Y CB -0.274 38.232 38.460 0.077 0.000 0.976 99 Y HN 0.111 nan 8.280 nan 0.000 0.505 100 L N 0.806 122.175 121.223 0.245 0.000 2.056 100 L HA -0.132 4.207 4.340 -0.001 0.000 0.207 100 L C 2.364 179.205 176.870 -0.048 0.000 1.078 100 L CA 1.880 56.757 54.840 0.061 0.000 0.749 100 L CB -0.811 41.332 42.059 0.139 0.000 0.901 100 L HN 0.135 nan 8.230 nan 0.000 0.433 101 K N -0.533 119.859 120.400 -0.012 0.000 2.113 101 K HA -0.184 4.136 4.320 -0.001 0.000 0.208 101 K C 1.533 178.090 176.600 -0.071 0.000 1.047 101 K CA 1.605 57.872 56.287 -0.033 0.000 0.928 101 K CB -0.061 32.432 32.500 -0.012 0.000 0.716 101 K HN 0.416 nan 8.250 nan 0.000 0.446 102 N N 0.678 119.315 118.700 -0.105 0.000 2.467 102 N HA -0.031 4.708 4.740 -0.001 0.000 0.184 102 N C -0.119 175.287 175.510 -0.174 0.000 1.106 102 N CA 0.451 53.419 53.050 -0.136 0.000 0.892 102 N CB 0.210 38.603 38.487 -0.157 0.000 0.969 102 N HN 0.132 nan 8.380 nan 0.000 0.454 103 R N 0.014 120.395 120.500 -0.199 0.000 2.459 103 R HA 0.230 4.569 4.340 -0.001 0.000 0.281 103 R C 1.126 177.332 176.300 -0.156 0.000 1.050 103 R CA -0.376 55.596 56.100 -0.214 0.000 1.055 103 R CB 1.433 31.558 30.300 -0.292 0.000 1.045 103 R HN -0.168 nan 8.270 nan 0.000 0.495 104 V N 1.901 121.732 119.914 -0.139 0.000 2.379 104 V HA -0.068 4.051 4.120 -0.001 0.000 0.243 104 V C 1.045 177.067 176.094 -0.120 0.000 1.035 104 V CA 1.929 64.163 62.300 -0.110 0.000 1.035 104 V CB -0.342 31.427 31.823 -0.092 0.000 0.673 104 V HN 0.805 nan 8.190 nan 0.000 0.457 105 K N 1.844 122.160 120.400 -0.140 0.000 2.138 105 K HA 0.586 4.905 4.320 -0.001 0.000 0.263 105 K C -2.534 173.945 176.600 -0.201 0.000 0.965 105 K CA -1.993 54.206 56.287 -0.146 0.000 0.868 105 K CB 0.046 32.471 32.500 -0.126 0.000 1.083 105 K HN 0.243 nan 8.250 nan 0.000 0.443 106 P HA 0.234 nan 4.420 nan 0.000 0.274 106 P C -0.558 176.650 177.300 -0.153 0.000 1.264 106 P CA -0.494 62.497 63.100 -0.183 0.000 0.795 106 P CB 0.138 31.811 31.700 -0.045 0.000 1.064 107 F N -0.561 119.459 119.950 0.118 0.000 2.410 107 F HA 0.132 4.659 4.527 -0.001 0.000 0.334 107 F C 1.857 177.721 175.800 0.107 0.000 1.134 107 F CA 0.171 58.263 58.000 0.154 0.000 1.227 107 F CB -0.077 39.088 39.000 0.276 0.000 1.194 107 F HN 0.233 nan 8.300 nan 0.000 0.571 108 S N 0.805 116.682 115.700 0.296 0.000 2.587 108 S HA 0.048 4.518 4.470 -0.001 0.000 0.260 108 S C 0.923 175.658 174.600 0.226 0.000 1.353 108 S CA -0.494 57.824 58.200 0.197 0.000 0.995 108 S CB 0.581 63.861 63.200 0.133 0.000 0.912 108 S HN 0.723 nan 8.310 nan 0.000 0.568 109 E N 1.033 121.366 120.200 0.221 0.000 2.106 109 E HA -0.154 4.196 4.350 -0.001 0.000 0.192 109 E C 1.643 178.405 176.600 0.270 0.000 0.984 109 E CA 1.072 57.677 56.400 0.340 0.000 0.806 109 E CB -0.272 29.659 29.700 0.385 0.000 0.750 109 E HN 0.611 nan 8.360 nan 0.000 0.458 110 N N 1.201 119.964 118.700 0.105 0.000 2.142 110 N HA -0.139 4.600 4.740 -0.001 0.000 0.186 110 N C 1.600 177.076 175.510 -0.057 0.000 1.023 110 N CA 0.959 54.007 53.050 -0.004 0.000 0.852 110 N CB -0.166 38.300 38.487 -0.035 0.000 0.998 110 N HN 0.297 nan 8.380 nan 0.000 0.424 111 E N 0.868 121.023 120.200 -0.075 0.000 2.077 111 E HA -0.077 4.272 4.350 -0.001 0.000 0.193 111 E C 1.919 178.257 176.600 -0.436 0.000 0.989 111 E CA 1.186 57.384 56.400 -0.336 0.000 0.800 111 E CB -0.099 29.501 29.700 -0.166 0.000 0.746 111 E HN 0.349 nan 8.360 nan 0.000 0.452 112 A N 1.512 124.354 122.820 0.037 0.000 1.969 112 A HA -0.185 4.134 4.320 -0.001 0.000 0.218 112 A C 2.094 179.881 177.584 0.338 0.000 1.169 112 A CA 1.384 53.594 52.037 0.288 0.000 0.635 112 A CB -0.425 18.867 19.000 0.485 0.000 0.810 112 A HN 0.094 nan 8.150 nan 0.000 0.445 113 R N -1.080 119.607 120.500 0.312 0.000 2.073 113 R HA -0.237 4.102 4.340 -0.001 0.000 0.234 113 R C 2.143 178.499 176.300 0.094 0.000 1.134 113 R CA 2.107 58.330 56.100 0.205 0.000 0.952 113 R CB -0.590 29.649 30.300 -0.101 0.000 0.850 113 R HN 0.726 nan 8.270 nan 0.000 0.433 114 H N -0.397 118.595 119.070 -0.130 0.000 2.265 114 H HA -0.179 4.376 4.556 -0.001 0.000 0.295 114 H C 1.785 177.069 175.328 -0.074 0.000 1.084 114 H CA 2.803 58.741 56.048 -0.183 0.000 1.261 114 H CB -0.466 29.070 29.762 -0.376 0.000 1.360 114 H HN 0.262 nan 8.280 nan 0.000 0.487 115 F N -0.563 119.438 119.950 0.085 0.000 2.126 115 F HA -0.270 4.256 4.527 -0.001 0.000 0.299 115 F C 2.646 178.436 175.800 -0.017 0.000 1.096 115 F CA 0.505 58.495 58.000 -0.017 0.000 1.255 115 F CB -0.241 38.718 39.000 -0.068 0.000 0.997 115 F HN 0.244 nan 8.300 nan 0.000 0.479 116 M N -0.375 119.353 119.600 0.212 0.000 2.117 116 M HA -0.248 4.231 4.480 -0.001 0.000 0.262 116 M C 2.198 178.523 176.300 0.041 0.000 1.065 116 M CA 1.822 57.177 55.300 0.092 0.000 1.114 116 M CB -1.497 31.117 32.600 0.022 0.000 1.361 116 M HN 0.241 nan 8.290 nan 0.000 0.408 117 H N 0.237 119.294 119.070 -0.022 0.000 2.353 117 H HA -0.140 4.415 4.556 -0.001 0.000 0.300 117 H C 2.055 177.364 175.328 -0.031 0.000 1.090 117 H CA 2.185 58.209 56.048 -0.041 0.000 1.327 117 H CB 0.082 29.801 29.762 -0.072 0.000 1.383 117 H HN 0.443 nan 8.280 nan 0.000 0.508 118 Q N -0.359 119.444 119.800 0.005 0.000 2.079 118 Q HA -0.079 4.260 4.340 -0.001 0.000 0.200 118 Q C 2.442 178.421 176.000 -0.034 0.000 0.974 118 Q CA 1.609 57.405 55.803 -0.011 0.000 0.840 118 Q CB 0.090 28.828 28.738 0.000 0.000 0.898 118 Q HN 0.543 nan 8.270 nan 0.000 0.430 119 I N 0.116 120.670 120.570 -0.027 0.000 2.252 119 I HA -0.275 3.895 4.170 -0.001 0.000 0.245 119 I C 2.028 178.098 176.117 -0.079 0.000 1.102 119 I CA 1.037 62.308 61.300 -0.048 0.000 1.385 119 I CB -0.113 37.868 38.000 -0.031 0.000 1.064 119 I HN 0.180 nan 8.210 nan 0.000 0.414 120 I N 0.463 120.973 120.570 -0.101 0.000 2.179 120 I HA -0.294 3.875 4.170 -0.001 0.000 0.242 120 I C 2.755 178.797 176.117 -0.125 0.000 1.088 120 I CA 2.032 63.264 61.300 -0.113 0.000 1.357 120 I CB -0.523 37.400 38.000 -0.128 0.000 1.051 120 I HN 0.378 nan 8.210 nan 0.000 0.409 121 T N -1.663 112.781 114.554 -0.183 0.000 2.867 121 T HA -0.067 4.282 4.350 -0.001 0.000 0.268 121 T C 2.016 176.589 174.700 -0.212 0.000 1.057 121 T CA 1.036 63.054 62.100 -0.136 0.000 1.136 121 T CB -1.118 67.696 68.868 -0.091 0.000 0.874 121 T HN 0.418 nan 8.240 nan 0.000 0.466 122 G N 1.063 109.734 108.800 -0.215 0.000 2.418 122 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.217 122 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.217 122 G C 1.633 176.486 174.900 -0.078 0.000 1.158 122 G CA 0.752 45.691 45.100 -0.268 0.000 0.771 122 G HN 0.481 nan 8.290 nan 0.000 0.545 123 M N -0.207 119.364 119.600 -0.049 0.000 2.175 123 M HA 0.135 4.614 4.480 -0.001 0.000 0.264 123 M C 2.540 178.870 176.300 0.050 0.000 1.063 123 M CA 0.862 56.164 55.300 0.003 0.000 1.119 123 M CB -0.265 32.318 32.600 -0.029 0.000 1.377 123 M HN 0.142 nan 8.290 nan 0.000 0.415 124 L N -1.309 119.930 121.223 0.027 0.000 2.046 124 L HA -0.251 4.088 4.340 -0.001 0.000 0.208 124 L C 2.549 179.493 176.870 0.124 0.000 1.077 124 L CA 1.434 56.326 54.840 0.087 0.000 0.747 124 L CB -0.780 41.312 42.059 0.055 0.000 0.896 124 L HN 0.260 nan 8.230 nan 0.000 0.432 125 Y N 0.727 120.988 120.300 -0.066 0.000 2.097 125 Y HA -0.298 4.251 4.550 -0.001 0.000 0.282 125 Y C 2.365 178.321 175.900 0.093 0.000 1.152 125 Y CA 1.710 59.793 58.100 -0.028 0.000 1.136 125 Y CB -0.291 37.955 38.460 -0.356 0.000 0.975 125 Y HN -0.014 nan 8.280 nan 0.000 0.498 126 L N -0.508 120.755 121.223 0.067 0.000 2.012 126 L HA -0.307 4.033 4.340 -0.001 0.000 0.210 126 L C 2.784 179.679 176.870 0.041 0.000 1.073 126 L CA 1.972 56.841 54.840 0.049 0.000 0.748 126 L CB -1.065 41.101 42.059 0.179 0.000 0.891 126 L HN 0.460 nan 8.230 nan 0.000 0.431 127 H N 0.010 119.077 119.070 -0.004 0.000 2.421 127 H HA -0.139 4.416 4.556 -0.001 0.000 0.298 127 H C 2.232 177.532 175.328 -0.046 0.000 1.087 127 H CA 1.738 57.779 56.048 -0.011 0.000 1.330 127 H CB 0.320 30.080 29.762 -0.004 0.000 1.388 127 H HN 0.412 nan 8.280 nan 0.000 0.526 128 S N -0.657 114.899 115.700 -0.239 0.000 2.528 128 S HA -0.040 4.430 4.470 -0.001 0.000 0.219 128 S C 1.309 175.651 174.600 -0.430 0.000 0.985 128 S CA 0.018 58.001 58.200 -0.361 0.000 0.914 128 S CB -0.347 62.736 63.200 -0.195 0.000 0.776 128 S HN 0.543 nan 8.310 nan 0.000 0.526 129 H N 1.019 119.881 119.070 -0.346 0.000 2.517 129 H HA 0.303 4.858 4.556 -0.001 0.000 0.282 129 H C 1.534 176.741 175.328 -0.203 0.000 1.023 129 H CA 0.245 56.110 56.048 -0.306 0.000 1.169 129 H CB 0.088 29.573 29.762 -0.462 0.000 1.454 129 H HN 0.615 nan 8.280 nan 0.000 0.556 130 G N 1.818 110.546 108.800 -0.120 0.000 2.198 130 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.260 130 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.260 130 G C 0.124 175.018 174.900 -0.010 0.000 1.025 130 G CA -0.020 45.036 45.100 -0.075 0.000 0.769 130 G HN 0.251 nan 8.290 nan 0.000 0.507 131 I N 0.999 121.580 120.570 0.018 0.000 2.297 131 I HA 0.325 4.494 4.170 -0.001 0.000 0.291 131 I C 0.786 176.972 176.117 0.116 0.000 1.033 131 I CA -0.828 60.513 61.300 0.069 0.000 1.253 131 I CB 0.980 39.035 38.000 0.090 0.000 1.396 131 I HN -0.001 nan 8.210 nan 0.000 0.476 132 L N 6.277 127.558 121.223 0.096 0.000 2.295 132 L HA 0.252 4.591 4.340 -0.001 0.000 0.288 132 L C 0.504 177.442 176.870 0.112 0.000 1.079 132 L CA -0.267 54.635 54.840 0.104 0.000 0.830 132 L CB 0.075 42.172 42.059 0.064 0.000 1.200 132 L HN 0.464 nan 8.230 nan 0.000 0.438 133 H N 4.337 123.442 119.070 0.059 0.000 2.668 133 H HA 0.253 4.809 4.556 -0.001 0.000 0.303 133 H C 0.258 175.576 175.328 -0.017 0.000 1.074 133 H CA -0.347 55.703 56.048 0.004 0.000 1.406 133 H CB 0.846 30.583 29.762 -0.041 0.000 1.442 133 H HN 0.718 nan 8.280 nan 0.000 0.482 134 R N 2.794 123.317 120.500 0.038 0.000 2.614 134 R HA 0.056 4.396 4.340 -0.001 0.000 0.335 134 R C 0.575 176.967 176.300 0.153 0.000 0.859 134 R CA 0.603 56.744 56.100 0.067 0.000 1.123 134 R CB -2.090 28.207 30.300 -0.006 0.000 0.887 134 R HN 0.927 nan 8.270 nan 0.000 0.407 135 D N 3.041 123.499 120.400 0.096 0.000 6.725 135 D HA 0.120 4.759 4.640 -0.001 0.000 0.164 135 D C 0.511 176.844 176.300 0.055 0.000 1.245 135 D CA 0.978 55.023 54.000 0.075 0.000 0.790 135 D CB -0.354 40.491 40.800 0.074 0.000 1.490 135 D HN 0.691 nan 8.370 nan 0.000 0.862 136 L N 2.187 123.408 121.223 -0.003 0.000 2.506 136 L HA 0.425 4.764 4.340 -0.001 0.000 0.281 136 L C 1.692 178.535 176.870 -0.046 0.000 1.228 136 L CA 0.736 55.521 54.840 -0.091 0.000 0.850 136 L CB 0.860 42.800 42.059 -0.200 0.000 1.110 136 L HN 0.770 nan 8.230 nan 0.000 0.496 137 T N -1.236 113.286 114.554 -0.054 0.000 2.907 137 T HA 0.503 4.853 4.350 -0.001 0.000 0.290 137 T C 1.064 175.732 174.700 -0.053 0.000 1.066 137 T CA -0.955 61.126 62.100 -0.033 0.000 1.012 137 T CB 0.693 69.558 68.868 -0.005 0.000 1.184 137 T HN 0.378 nan 8.240 nan 0.000 0.522 138 L N 0.465 121.668 121.223 -0.034 0.000 2.261 138 L HA -0.083 4.256 4.340 -0.001 0.000 0.216 138 L C 2.766 179.612 176.870 -0.041 0.000 1.114 138 L CA 1.018 55.835 54.840 -0.039 0.000 0.777 138 L CB -0.634 41.421 42.059 -0.006 0.000 0.910 138 L HN 0.735 nan 8.230 nan 0.000 0.440 139 S N -0.100 115.582 115.700 -0.030 0.000 2.453 139 S HA -0.077 4.393 4.470 -0.001 0.000 0.231 139 S C 1.288 175.859 174.600 -0.048 0.000 1.005 139 S CA 0.862 59.045 58.200 -0.028 0.000 0.949 139 S CB -0.276 62.915 63.200 -0.015 0.000 0.774 139 S HN 0.556 nan 8.310 nan 0.000 0.510 140 N N 0.513 119.171 118.700 -0.070 0.000 2.314 140 N HA 0.242 4.982 4.740 -0.001 0.000 0.200 140 N C -0.826 174.604 175.510 -0.133 0.000 1.135 140 N CA 0.064 53.052 53.050 -0.103 0.000 0.835 140 N CB 0.337 38.746 38.487 -0.130 0.000 0.989 140 N HN 0.256 nan 8.380 nan 0.000 0.478 141 L N 1.331 122.489 121.223 -0.109 0.000 2.313 141 L HA 0.504 4.844 4.340 -0.001 0.000 0.283 141 L C -0.552 176.260 176.870 -0.096 0.000 1.013 141 L CA -0.657 54.112 54.840 -0.117 0.000 0.816 141 L CB 1.694 43.669 42.059 -0.139 0.000 1.236 141 L HN -0.074 nan 8.230 nan 0.000 0.419 142 L N 3.814 124.988 121.223 -0.081 0.000 2.334 142 L HA 0.617 4.956 4.340 -0.001 0.000 0.270 142 L C -0.630 176.196 176.870 -0.073 0.000 1.018 142 L CA -0.714 54.090 54.840 -0.061 0.000 0.811 142 L CB 2.208 44.245 42.059 -0.036 0.000 1.271 142 L HN 0.450 nan 8.230 nan 0.000 0.443 143 L N 0.680 121.863 121.223 -0.067 0.000 2.362 143 L HA 0.436 4.775 4.340 -0.001 0.000 0.275 143 L C 0.129 177.001 176.870 0.003 0.000 0.998 143 L CA -0.224 54.568 54.840 -0.079 0.000 0.820 143 L CB 2.202 44.136 42.059 -0.207 0.000 1.270 143 L HN 0.551 nan 8.230 nan 0.000 0.415 144 T N 1.179 115.758 114.554 0.041 0.000 2.816 144 T HA 0.140 4.490 4.350 -0.001 0.000 0.282 144 T C 1.286 176.056 174.700 0.117 0.000 0.993 144 T CA -0.149 62.014 62.100 0.103 0.000 0.994 144 T CB 1.136 70.065 68.868 0.102 0.000 1.025 144 T HN 0.634 nan 8.240 nan 0.000 0.529 145 R N 1.010 121.606 120.500 0.160 0.000 2.113 145 R HA -0.130 4.209 4.340 -0.001 0.000 0.244 145 R C 1.239 177.565 176.300 0.044 0.000 1.142 145 R CA 2.271 58.409 56.100 0.063 0.000 0.953 145 R CB -0.267 30.000 30.300 -0.054 0.000 0.860 145 R HN 0.594 nan 8.270 nan 0.000 0.438 146 N N 0.032 118.764 118.700 0.053 0.000 2.362 146 N HA 0.062 4.801 4.740 -0.001 0.000 0.204 146 N C -0.448 175.102 175.510 0.066 0.000 1.166 146 N CA 0.028 53.105 53.050 0.046 0.000 0.831 146 N CB 0.520 39.035 38.487 0.047 0.000 1.008 146 N HN 0.108 nan 8.380 nan 0.000 0.472 147 M N -0.560 119.087 119.600 0.078 0.000 2.537 147 M HA -0.231 4.249 4.480 -0.001 0.000 0.205 147 M C -1.088 175.369 176.300 0.261 0.000 0.450 147 M CA 0.668 56.038 55.300 0.116 0.000 0.553 147 M CB -2.721 29.933 32.600 0.091 0.000 2.046 147 M HN 0.278 nan 8.290 nan 0.000 0.797 148 N N -0.174 118.646 118.700 0.201 0.000 2.498 148 N HA 0.646 5.385 4.740 -0.001 0.000 0.287 148 N C -0.109 175.471 175.510 0.117 0.000 1.097 148 N CA -0.766 52.409 53.050 0.208 0.000 0.973 148 N CB 1.334 39.905 38.487 0.140 0.000 1.153 148 N HN 0.165 nan 8.380 nan 0.000 0.472 149 I N 2.054 122.686 120.570 0.103 0.000 2.472 149 I HA 0.151 4.320 4.170 -0.001 0.000 0.290 149 I C -0.312 175.813 176.117 0.014 0.000 1.016 149 I CA -0.026 61.283 61.300 0.015 0.000 1.348 149 I CB 0.592 38.587 38.000 -0.008 0.000 1.417 149 I HN 0.289 nan 8.210 nan 0.000 0.521 150 K N 7.675 128.070 120.400 -0.010 0.000 2.545 150 K HA 0.454 4.773 4.320 -0.001 0.000 0.252 150 K C -0.869 175.719 176.600 -0.021 0.000 0.948 150 K CA -0.492 55.801 56.287 0.010 0.000 0.827 150 K CB 1.690 34.204 32.500 0.023 0.000 1.128 150 K HN 0.463 nan 8.250 nan 0.000 0.429 151 I N 2.446 123.004 120.570 -0.019 0.000 2.533 151 I HA 0.100 4.270 4.170 -0.001 0.000 0.284 151 I C 0.580 176.654 176.117 -0.071 0.000 1.109 151 I CA 0.182 61.422 61.300 -0.100 0.000 1.412 151 I CB 0.783 38.712 38.000 -0.118 0.000 1.396 151 I HN 0.584 nan 8.210 nan 0.000 0.543 152 A N 3.932 126.643 122.820 -0.181 0.000 2.387 152 A HA 0.704 5.024 4.320 -0.001 0.000 0.303 152 A C -0.030 177.372 177.584 -0.303 0.000 1.145 152 A CA 0.168 52.123 52.037 -0.137 0.000 0.801 152 A CB 1.051 20.019 19.000 -0.053 0.000 1.342 152 A HN 0.952 nan 8.150 nan 0.000 0.440 153 D N -1.599 118.683 120.400 -0.197 0.000 4.353 153 D HA -0.079 4.560 4.640 -0.001 0.000 0.242 153 D C -0.363 175.700 176.300 -0.395 0.000 1.063 153 D CA 0.945 54.837 54.000 -0.181 0.000 1.224 153 D CB -2.303 38.424 40.800 -0.121 0.000 0.831 153 D HN 0.995 nan 8.370 nan 0.000 0.405 154 F N 0.846 120.694 119.950 -0.170 0.000 2.639 154 F HA 0.468 4.995 4.527 -0.001 0.000 0.300 154 F C 2.500 178.196 175.800 -0.173 0.000 1.109 154 F CA 0.420 58.286 58.000 -0.222 0.000 1.335 154 F CB 0.771 39.639 39.000 -0.220 0.000 1.014 154 F HN 0.635 nan 8.300 nan 0.000 0.537 155 G N 0.204 108.982 108.800 -0.037 0.000 2.442 155 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.219 155 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.219 155 G C 1.352 176.226 174.900 -0.044 0.000 1.141 155 G CA 0.814 45.903 45.100 -0.018 0.000 0.763 155 G HN 0.195 nan 8.290 nan 0.000 0.554 156 L N 0.744 121.896 121.223 -0.119 0.000 2.667 156 L HA 0.521 4.860 4.340 -0.001 0.000 0.232 156 L C 1.507 178.292 176.870 -0.141 0.000 1.138 156 L CA -0.997 53.775 54.840 -0.113 0.000 0.921 156 L CB -0.487 41.502 42.059 -0.117 0.000 1.180 156 L HN 0.229 nan 8.230 nan 0.000 0.487 157 A N -0.790 121.940 122.820 -0.149 0.000 2.332 157 A HA 0.617 4.936 4.320 -0.001 0.000 0.258 157 A C 0.210 177.786 177.584 -0.014 0.000 1.087 157 A CA 0.039 52.020 52.037 -0.093 0.000 0.802 157 A CB 0.254 19.272 19.000 0.030 0.000 1.042 157 A HN 0.211 nan 8.150 nan 0.000 0.489 158 T N 1.081 115.640 114.554 0.009 0.000 2.841 158 T HA 0.462 4.811 4.350 -0.001 0.000 0.283 158 T C -0.500 174.215 174.700 0.025 0.000 1.000 158 T CA -0.282 61.826 62.100 0.014 0.000 0.977 158 T CB 1.313 70.186 68.868 0.008 0.000 0.979 158 T HN 0.687 nan 8.240 nan 0.000 0.446 159 Q N 3.880 123.689 119.800 0.016 0.000 2.368 159 Q HA 0.502 4.841 4.340 -0.001 0.000 0.256 159 Q C -0.796 175.206 176.000 0.004 0.000 0.980 159 Q CA -0.568 55.241 55.803 0.010 0.000 0.887 159 Q CB 0.383 29.124 28.738 0.005 0.000 1.221 159 Q HN 0.589 nan 8.270 nan 0.000 0.458 160 L N 3.348 124.572 121.223 0.000 0.000 2.452 160 L HA 0.195 4.534 4.340 -0.001 0.000 0.267 160 L C 0.646 177.508 176.870 -0.013 0.000 1.188 160 L CA -0.583 54.253 54.840 -0.006 0.000 0.821 160 L CB 0.259 42.313 42.059 -0.010 0.000 1.102 160 L HN 0.604 nan 8.230 nan 0.000 0.470 191 S N -0.850 114.856 115.700 0.010 0.000 2.711 191 S HA 0.271 4.740 4.470 -0.001 0.000 0.237 191 S C 1.541 176.194 174.600 0.088 0.000 0.971 191 S CA 2.070 60.298 58.200 0.047 0.000 0.964 191 S CB -1.425 61.780 63.200 0.009 0.000 0.775 191 S HN 1.325 nan 8.310 nan 0.000 0.540 192 D N -0.069 120.360 120.400 0.047 0.000 2.348 192 D HA 0.202 4.842 4.640 -0.001 0.000 0.216 192 D C 1.781 178.104 176.300 0.038 0.000 0.970 192 D CA 1.160 55.184 54.000 0.040 0.000 0.889 192 D CB -0.437 40.366 40.800 0.005 0.000 0.912 192 D HN 0.398 nan 8.370 nan 0.000 0.524 193 V N -0.539 119.408 119.914 0.054 0.000 2.407 193 V HA -0.093 4.026 4.120 -0.001 0.000 0.245 193 V C 2.192 178.342 176.094 0.093 0.000 1.041 193 V CA 1.226 63.554 62.300 0.047 0.000 1.040 193 V CB -0.378 31.469 31.823 0.039 0.000 0.671 193 V HN 0.805 nan 8.190 nan 0.000 0.455 194 W N 0.976 122.261 121.300 -0.025 0.000 2.333 194 W HA -0.236 4.423 4.660 -0.001 0.000 0.316 194 W C 2.502 179.019 176.519 -0.005 0.000 1.215 194 W CA 2.124 59.461 57.345 -0.014 0.000 1.278 194 W CB -0.438 29.010 29.460 -0.020 0.000 1.154 194 W HN 0.313 nan 8.180 nan 0.000 0.486 195 S N 1.464 117.250 115.700 0.142 0.000 2.365 195 S HA -0.260 4.210 4.470 -0.001 0.000 0.225 195 S C 1.956 176.520 174.600 -0.060 0.000 1.039 195 S CA 1.638 59.858 58.200 0.033 0.000 1.033 195 S CB -1.021 62.219 63.200 0.067 0.000 0.887 195 S HN 0.308 nan 8.310 nan 0.000 0.447 196 L N 1.002 122.199 121.223 -0.043 0.000 2.042 196 L HA -0.159 4.181 4.340 -0.001 0.000 0.210 196 L C 2.564 179.396 176.870 -0.063 0.000 1.076 196 L CA 1.687 56.495 54.840 -0.052 0.000 0.749 196 L CB -1.302 40.721 42.059 -0.060 0.000 0.893 196 L HN 0.482 nan 8.230 nan 0.000 0.432 197 G N -0.826 107.882 108.800 -0.152 0.000 2.446 197 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.217 197 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.217 197 G C 1.591 176.349 174.900 -0.237 0.000 1.168 197 G CA 1.033 46.003 45.100 -0.218 0.000 0.771 197 G HN 0.493 nan 8.290 nan 0.000 0.551 198 C N 0.397 119.486 119.300 -0.352 0.000 2.440 198 C HA 0.121 4.580 4.460 -0.001 0.000 0.278 198 C C 3.005 177.948 174.990 -0.078 0.000 1.295 198 C CA 0.854 59.707 59.018 -0.274 0.000 1.738 198 C CB -0.893 26.687 27.740 -0.266 0.000 1.987 198 C HN 0.440 nan 8.230 nan 0.000 0.492 199 M N -0.185 119.398 119.600 -0.029 0.000 2.067 199 M HA -0.120 4.359 4.480 -0.001 0.000 0.260 199 M C 2.185 178.557 176.300 0.121 0.000 1.069 199 M CA 1.882 57.207 55.300 0.041 0.000 1.117 199 M CB -0.687 31.932 32.600 0.031 0.000 1.334 199 M HN 0.386 nan 8.290 nan 0.000 0.407 200 F N 0.411 120.331 119.950 -0.050 0.000 2.069 200 F HA -0.285 4.241 4.527 -0.001 0.000 0.298 200 F C 2.362 178.140 175.800 -0.037 0.000 1.113 200 F CA 1.593 59.563 58.000 -0.049 0.000 1.214 200 F CB -1.088 37.841 39.000 -0.119 0.000 0.978 200 F HN 0.089 nan 8.300 nan 0.000 0.474 201 Y N 0.755 120.875 120.300 -0.299 0.000 2.128 201 Y HA -0.281 4.268 4.550 -0.001 0.000 0.284 201 Y C 2.518 178.268 175.900 -0.251 0.000 1.154 201 Y CA 2.600 60.459 58.100 -0.402 0.000 1.149 201 Y CB -0.739 37.473 38.460 -0.414 0.000 0.976 201 Y HN 0.063 nan 8.280 nan 0.000 0.505 202 T N 1.148 115.765 114.554 0.105 0.000 2.746 202 T HA -0.202 4.148 4.350 -0.001 0.000 0.267 202 T C 1.936 176.673 174.700 0.061 0.000 1.039 202 T CA 1.706 63.861 62.100 0.091 0.000 1.142 202 T CB -0.512 68.407 68.868 0.084 0.000 0.866 202 T HN 0.314 nan 8.240 nan 0.000 0.444 203 L N 0.173 121.456 121.223 0.099 0.000 2.083 203 L HA -0.010 4.329 4.340 -0.001 0.000 0.209 203 L C 2.278 179.272 176.870 0.205 0.000 1.083 203 L CA 1.132 56.132 54.840 0.267 0.000 0.752 203 L CB -0.413 41.845 42.059 0.332 0.000 0.899 203 L HN 0.265 nan 8.230 nan 0.000 0.433 204 L N -1.215 119.969 121.223 -0.065 0.000 2.375 204 L HA -0.025 4.315 4.340 -0.001 0.000 0.215 204 L C 1.819 178.625 176.870 -0.108 0.000 1.108 204 L CA 0.180 54.948 54.840 -0.120 0.000 0.830 204 L CB 0.214 42.029 42.059 -0.406 0.000 0.959 204 L HN 0.225 nan 8.230 nan 0.000 0.457 205 I N -1.415 119.042 120.570 -0.188 0.000 4.244 205 I HA 0.256 4.425 4.170 -0.001 0.000 0.318 205 I C 1.651 177.743 176.117 -0.041 0.000 1.282 205 I CA 1.030 62.239 61.300 -0.153 0.000 1.276 205 I CB -0.179 37.531 38.000 -0.484 0.000 1.183 205 I HN 0.271 nan 8.210 nan 0.000 0.431 206 G N 2.595 111.382 108.800 -0.021 0.000 2.175 206 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.244 206 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.244 206 G C 0.317 175.232 174.900 0.026 0.000 0.982 206 G CA 0.316 45.413 45.100 -0.005 0.000 0.641 206 G HN 0.534 nan 8.290 nan 0.000 0.527 207 R N -0.639 119.901 120.500 0.066 0.000 2.739 207 R HA 0.728 5.068 4.340 -0.001 0.000 0.271 207 R C -3.137 173.250 176.300 0.145 0.000 1.010 207 R CA -2.024 54.128 56.100 0.088 0.000 0.897 207 R CB 1.584 31.932 30.300 0.080 0.000 1.236 207 R HN 0.091 nan 8.270 nan 0.000 0.466 208 P HA 0.096 nan 4.420 nan 0.000 0.272 208 P C -1.957 175.205 177.300 -0.231 0.000 1.230 208 P CA -1.273 61.815 63.100 -0.020 0.000 0.788 208 P CB 0.698 32.393 31.700 -0.007 0.000 0.949 209 P HA -0.028 nan 4.420 nan 0.000 0.217 209 P C -0.009 176.746 177.300 -0.907 0.000 1.151 209 P CA 1.356 63.593 63.100 -1.438 0.000 0.828 209 P CB 0.102 30.637 31.700 -1.942 0.000 0.788 210 F N 0.291 120.121 119.950 -0.200 0.000 2.458 210 F HA 0.415 4.942 4.527 -0.001 0.000 0.336 210 F C 0.906 176.701 175.800 -0.009 0.000 1.114 210 F CA -0.868 57.109 58.000 -0.039 0.000 0.987 210 F CB 0.366 39.390 39.000 0.041 0.000 1.130 210 F HN -0.240 nan 8.300 nan 0.000 0.458 211 D N 1.857 122.365 120.400 0.179 0.000 2.339 211 D HA 0.357 4.997 4.640 -0.001 0.000 0.256 211 D C 0.322 176.695 176.300 0.121 0.000 1.214 211 D CA -0.487 53.583 54.000 0.117 0.000 0.877 211 D CB 0.141 40.992 40.800 0.084 0.000 1.111 211 D HN 0.601 nan 8.370 nan 0.000 0.478 212 T N 1.883 116.494 114.554 0.095 0.000 2.923 212 T HA 0.121 4.470 4.350 -0.001 0.000 0.304 212 T C 0.204 174.936 174.700 0.053 0.000 1.044 212 T CA 0.134 62.276 62.100 0.070 0.000 1.141 212 T CB 0.653 69.552 68.868 0.053 0.000 1.023 212 T HN 0.587 nan 8.240 nan 0.000 0.533 213 D N 1.607 122.031 120.400 0.039 0.000 2.339 213 D HA 0.215 4.854 4.640 -0.001 0.000 0.241 213 D C 0.512 176.824 176.300 0.019 0.000 1.183 213 D CA -0.169 53.847 54.000 0.028 0.000 0.859 213 D CB 0.688 41.499 40.800 0.018 0.000 1.067 213 D HN 0.444 nan 8.370 nan 0.000 0.484 214 T N 2.491 117.057 114.554 0.020 0.000 3.084 214 T HA 0.126 4.476 4.350 -0.001 0.000 0.270 214 T C 1.088 175.795 174.700 0.012 0.000 1.008 214 T CA -0.072 62.037 62.100 0.015 0.000 0.900 214 T CB 0.523 69.401 68.868 0.017 0.000 1.084 214 T HN 0.288 nan 8.240 nan 0.000 0.538 215 V N -0.137 119.785 119.914 0.012 0.000 3.451 215 V HA 0.474 4.594 4.120 -0.001 0.000 0.288 215 V C 0.725 176.824 176.094 0.007 0.000 1.502 215 V CA 0.278 62.585 62.300 0.010 0.000 1.026 215 V CB 0.354 32.185 31.823 0.013 0.000 0.840 215 V HN 0.402 nan 8.190 nan 0.000 0.437 223 V N 3.162 123.117 119.914 0.069 0.000 2.233 223 V HA -0.025 4.095 4.120 -0.001 0.000 0.247 223 V C 0.887 177.016 176.094 0.059 0.000 1.050 223 V CA 2.398 64.732 62.300 0.058 0.000 1.010 223 V CB -0.541 31.321 31.823 0.065 0.000 0.637 223 V HN 0.677 nan 8.190 nan 0.000 0.444 224 L N -2.077 119.203 121.223 0.095 0.000 2.393 224 L HA 0.633 4.972 4.340 -0.001 0.000 0.260 224 L C 0.750 177.713 176.870 0.155 0.000 1.002 224 L CA -0.224 54.672 54.840 0.093 0.000 0.818 224 L CB 1.764 43.871 42.059 0.079 0.000 1.369 224 L HN 0.005 nan 8.230 nan 0.000 0.412 225 A N -0.235 122.654 122.820 0.115 0.000 2.239 225 A HA 0.029 4.348 4.320 -0.001 0.000 0.209 225 A C 0.361 178.159 177.584 0.357 0.000 1.171 225 A CA 0.528 52.651 52.037 0.142 0.000 0.768 225 A CB -0.597 18.431 19.000 0.047 0.000 0.790 225 A HN 0.685 nan 8.150 nan 0.000 0.478 226 D N -0.866 119.701 120.400 0.279 0.000 2.229 226 D HA 0.505 5.144 4.640 -0.001 0.000 0.249 226 D C -0.743 175.639 176.300 0.136 0.000 1.027 226 D CA 0.124 54.219 54.000 0.159 0.000 0.923 226 D CB 1.139 41.942 40.800 0.005 0.000 1.174 226 D HN 0.419 nan 8.370 nan 0.000 0.443 227 Y N -1.639 118.599 120.300 -0.104 0.000 2.570 227 Y HA 0.554 5.104 4.550 -0.001 0.000 0.345 227 Y C -0.257 175.556 175.900 -0.145 0.000 1.014 227 Y CA -1.375 56.515 58.100 -0.351 0.000 1.063 227 Y CB 0.934 38.854 38.460 -0.900 0.000 1.272 227 Y HN 0.117 nan 8.280 nan 0.000 0.477 228 E N 2.246 122.496 120.200 0.084 0.000 2.229 228 E HA 0.299 4.649 4.350 -0.001 0.000 0.283 228 E C -1.098 175.642 176.600 0.233 0.000 1.030 228 E CA -0.723 55.726 56.400 0.082 0.000 0.836 228 E CB 0.898 30.639 29.700 0.070 0.000 1.068 228 E HN 0.702 nan 8.360 nan 0.000 0.401 229 M N 7.612 127.279 119.600 0.112 0.000 2.135 229 M HA 0.316 4.795 4.480 -0.001 0.000 0.345 229 M C -2.302 173.956 176.300 -0.070 0.000 1.340 229 M CA -2.200 53.161 55.300 0.102 0.000 1.162 229 M CB 0.795 33.435 32.600 0.066 0.000 1.570 229 M HN 0.260 nan 8.290 nan 0.000 0.454 230 P HA 0.159 nan 4.420 nan 0.000 0.271 230 P C 0.029 177.054 177.300 -0.458 0.000 1.216 230 P CA -0.060 62.807 63.100 -0.389 0.000 0.776 230 P CB 0.649 31.901 31.700 -0.746 0.000 0.881 231 S N 2.167 117.705 115.700 -0.270 0.000 2.436 231 S HA -0.142 4.327 4.470 -0.001 0.000 0.228 231 S C 1.551 176.083 174.600 -0.113 0.000 1.014 231 S CA 0.398 58.517 58.200 -0.136 0.000 0.950 231 S CB -1.221 61.970 63.200 -0.014 0.000 0.784 231 S HN 0.480 nan 8.310 nan 0.000 0.504 232 F N 1.580 121.512 119.950 -0.030 0.000 2.604 232 F HA 0.448 4.974 4.527 -0.001 0.000 0.298 232 F C 0.501 176.287 175.800 -0.023 0.000 1.131 232 F CA -0.837 57.148 58.000 -0.025 0.000 1.457 232 F CB -0.859 38.123 39.000 -0.031 0.000 1.095 232 F HN 0.038 nan 8.300 nan 0.000 0.574 233 L N 1.643 122.642 121.223 -0.373 0.000 2.452 233 L HA 0.185 4.525 4.340 -0.001 0.000 0.267 233 L C 1.156 178.008 176.870 -0.030 0.000 1.188 233 L CA -0.578 54.158 54.840 -0.173 0.000 0.821 233 L CB 0.602 42.463 42.059 -0.330 0.000 1.102 233 L HN 0.308 nan 8.230 nan 0.000 0.470 234 S N 1.773 117.509 115.700 0.060 0.000 2.576 234 S HA 0.087 4.556 4.470 -0.001 0.000 0.272 234 S C 1.346 175.996 174.600 0.084 0.000 1.352 234 S CA -0.697 57.562 58.200 0.099 0.000 1.021 234 S CB 0.675 63.980 63.200 0.176 0.000 0.887 234 S HN 0.455 nan 8.310 nan 0.000 0.542 235 I N 2.024 122.646 120.570 0.086 0.000 2.208 235 I HA -0.156 4.013 4.170 -0.001 0.000 0.245 235 I C 2.647 178.850 176.117 0.145 0.000 1.097 235 I CA 1.656 63.005 61.300 0.083 0.000 1.363 235 I CB -1.602 36.437 38.000 0.064 0.000 1.051 235 I HN 0.854 nan 8.210 nan 0.000 0.413 236 E N 1.846 122.176 120.200 0.217 0.000 2.077 236 E HA -0.178 4.171 4.350 -0.001 0.000 0.193 236 E C 2.222 179.055 176.600 0.389 0.000 0.989 236 E CA 1.426 58.042 56.400 0.360 0.000 0.800 236 E CB -0.682 29.251 29.700 0.388 0.000 0.746 236 E HN 0.397 nan 8.360 nan 0.000 0.452 237 A N 2.458 125.446 122.820 0.280 0.000 1.865 237 A HA -0.242 4.077 4.320 -0.001 0.000 0.217 237 A C 2.233 179.786 177.584 -0.053 0.000 1.191 237 A CA 2.206 54.184 52.037 -0.098 0.000 0.623 237 A CB -0.569 18.340 19.000 -0.151 0.000 0.826 237 A HN 0.236 nan 8.150 nan 0.000 0.444 238 K N -0.739 119.652 120.400 -0.014 0.000 2.113 238 K HA -0.224 4.096 4.320 -0.001 0.000 0.208 238 K C 1.811 178.470 176.600 0.098 0.000 1.047 238 K CA 1.750 58.041 56.287 0.007 0.000 0.928 238 K CB -0.277 32.223 32.500 -0.001 0.000 0.716 238 K HN 0.663 nan 8.250 nan 0.000 0.446 239 D N 0.440 120.928 120.400 0.146 0.000 2.117 239 D HA -0.138 4.501 4.640 -0.001 0.000 0.198 239 D C 1.797 178.218 176.300 0.202 0.000 0.982 239 D CA 0.456 54.594 54.000 0.230 0.000 0.828 239 D CB 0.106 41.096 40.800 0.316 0.000 0.967 239 D HN -0.030 nan 8.370 nan 0.000 0.464 240 L N 0.516 121.717 121.223 -0.036 0.000 2.017 240 L HA -0.057 4.283 4.340 -0.001 0.000 0.208 240 L C 2.012 178.850 176.870 -0.053 0.000 1.073 240 L CA 1.473 56.091 54.840 -0.370 0.000 0.745 240 L CB -0.615 41.078 42.059 -0.611 0.000 0.894 240 L HN 0.222 nan 8.230 nan 0.000 0.432 241 I N -1.056 119.564 120.570 0.084 0.000 2.151 241 I HA -0.396 3.773 4.170 -0.001 0.000 0.243 241 I C 2.547 178.728 176.117 0.106 0.000 1.080 241 I CA 1.796 63.145 61.300 0.082 0.000 1.339 241 I CB -0.480 37.538 38.000 0.030 0.000 1.039 241 I HN 0.460 nan 8.210 nan 0.000 0.409 242 H N 0.971 120.107 119.070 0.109 0.000 2.352 242 H HA -0.195 4.360 4.556 -0.001 0.000 0.299 242 H C 2.201 177.607 175.328 0.130 0.000 1.097 242 H CA 1.863 58.011 56.048 0.167 0.000 1.311 242 H CB 0.027 29.874 29.762 0.142 0.000 1.377 242 H HN 0.340 nan 8.280 nan 0.000 0.504 243 Q N -0.276 119.568 119.800 0.072 0.000 2.230 243 Q HA -0.053 4.286 4.340 -0.001 0.000 0.202 243 Q C 2.361 178.352 176.000 -0.014 0.000 0.963 243 Q CA 1.073 56.886 55.803 0.018 0.000 0.866 243 Q CB 0.256 29.063 28.738 0.116 0.000 0.931 243 Q HN 0.537 nan 8.270 nan 0.000 0.452 244 L N -0.199 121.007 121.223 -0.027 0.000 2.209 244 L HA -0.025 4.314 4.340 -0.001 0.000 0.207 244 L C 1.554 178.424 176.870 -0.001 0.000 1.094 244 L CA 0.586 55.407 54.840 -0.032 0.000 0.790 244 L CB 0.122 42.133 42.059 -0.081 0.000 0.932 244 L HN 0.135 nan 8.230 nan 0.000 0.447 245 L N -0.406 120.802 121.223 -0.025 0.000 2.872 245 L HA 0.192 4.531 4.340 -0.001 0.000 0.245 245 L C 0.327 177.366 176.870 0.282 0.000 1.211 245 L CA -0.475 54.398 54.840 0.056 0.000 1.013 245 L CB -0.099 41.847 42.059 -0.188 0.000 1.326 245 L HN 0.070 nan 8.230 nan 0.000 0.525 246 R N 0.947 121.526 120.500 0.131 0.000 2.697 246 R HA 0.032 4.371 4.340 -0.001 0.000 0.265 246 R C 1.618 178.023 176.300 0.176 0.000 1.009 246 R CA 0.641 56.785 56.100 0.072 0.000 1.099 246 R CB 0.175 30.471 30.300 -0.005 0.000 0.965 246 R HN 0.289 nan 8.270 nan 0.000 0.428 247 R N 2.337 122.910 120.500 0.122 0.000 2.082 247 R HA -0.165 4.175 4.340 -0.001 0.000 0.234 247 R C 1.295 177.602 176.300 0.012 0.000 1.136 247 R CA 2.087 58.231 56.100 0.073 0.000 0.935 247 R CB -1.978 28.352 30.300 0.050 0.000 0.842 247 R HN 0.868 nan 8.270 nan 0.000 0.430 248 N N 2.159 120.868 118.700 0.014 0.000 2.420 248 N HA 0.304 5.043 4.740 -0.001 0.000 0.262 248 N C -1.626 173.888 175.510 0.007 0.000 1.144 248 N CA -0.923 52.125 53.050 -0.003 0.000 0.952 248 N CB 0.594 39.083 38.487 0.004 0.000 1.081 248 N HN 0.318 nan 8.380 nan 0.000 0.480 249 P HA -0.169 nan 4.420 nan 0.000 0.217 249 P C 1.456 178.763 177.300 0.012 0.000 1.148 249 P CA 1.856 64.957 63.100 0.001 0.000 0.828 249 P CB 0.276 31.957 31.700 -0.031 0.000 0.783 250 A N -0.841 121.982 122.820 0.005 0.000 2.168 250 A HA -0.133 4.186 4.320 -0.001 0.000 0.215 250 A C 1.671 179.266 177.584 0.019 0.000 1.152 250 A CA 1.440 53.483 52.037 0.009 0.000 0.716 250 A CB -0.904 18.099 19.000 0.005 0.000 0.794 250 A HN 0.068 nan 8.150 nan 0.000 0.465 251 D N -0.586 119.829 120.400 0.024 0.000 2.350 251 D HA 0.076 4.716 4.640 -0.001 0.000 0.213 251 D C 0.700 177.020 176.300 0.033 0.000 1.031 251 D CA 0.214 54.232 54.000 0.030 0.000 0.861 251 D CB 0.068 40.886 40.800 0.029 0.000 0.926 251 D HN 0.370 nan 8.370 nan 0.000 0.520 252 R N 0.469 120.992 120.500 0.037 0.000 2.539 252 R HA 0.276 4.616 4.340 -0.001 0.000 0.275 252 R C 0.344 176.667 176.300 0.038 0.000 1.077 252 R CA -0.545 55.581 56.100 0.043 0.000 1.097 252 R CB 1.146 31.485 30.300 0.065 0.000 1.018 252 R HN 0.029 nan 8.270 nan 0.000 0.483 253 L N 2.226 123.472 121.223 0.039 0.000 2.559 253 L HA -0.062 4.277 4.340 -0.001 0.000 0.282 253 L C 0.662 177.544 176.870 0.020 0.000 1.232 253 L CA 0.315 55.178 54.840 0.038 0.000 0.885 253 L CB 0.535 42.617 42.059 0.037 0.000 1.131 253 L HN 0.777 nan 8.230 nan 0.000 0.498 254 S N 3.865 119.575 115.700 0.016 0.000 2.565 254 S HA 0.114 4.583 4.470 -0.001 0.000 0.276 254 S C 1.244 175.835 174.600 -0.014 0.000 1.326 254 S CA -0.790 57.408 58.200 -0.004 0.000 1.045 254 S CB 1.204 64.402 63.200 -0.004 0.000 0.918 254 S HN 0.693 nan 8.310 nan 0.000 0.505 255 L N 2.533 123.732 121.223 -0.040 0.000 2.034 255 L HA -0.210 4.130 4.340 -0.001 0.000 0.217 255 L C 2.642 179.496 176.870 -0.028 0.000 1.077 255 L CA 2.268 57.079 54.840 -0.048 0.000 0.769 255 L CB -0.878 41.131 42.059 -0.083 0.000 0.890 255 L HN 0.972 nan 8.230 nan 0.000 0.435 256 S N -1.777 113.914 115.700 -0.016 0.000 2.423 256 S HA -0.105 4.365 4.470 -0.001 0.000 0.231 256 S C 1.831 176.444 174.600 0.021 0.000 1.014 256 S CA 1.151 59.355 58.200 0.007 0.000 0.965 256 S CB -0.070 63.142 63.200 0.020 0.000 0.785 256 S HN 0.364 nan 8.310 nan 0.000 0.495 257 S N 1.129 116.843 115.700 0.024 0.000 2.496 257 S HA 0.108 4.577 4.470 -0.001 0.000 0.224 257 S C 1.836 176.474 174.600 0.064 0.000 0.996 257 S CA 0.314 58.540 58.200 0.044 0.000 0.927 257 S CB -0.248 62.979 63.200 0.046 0.000 0.774 257 S HN 0.381 nan 8.310 nan 0.000 0.524 258 V N 2.302 122.238 119.914 0.037 0.000 2.332 258 V HA -0.169 3.951 4.120 -0.001 0.000 0.248 258 V C 2.066 178.200 176.094 0.066 0.000 1.055 258 V CA 1.510 63.828 62.300 0.031 0.000 1.038 258 V CB -0.707 31.090 31.823 -0.043 0.000 0.651 258 V HN 0.484 nan 8.190 nan 0.000 0.450 259 L N -0.103 121.151 121.223 0.053 0.000 2.265 259 L HA -0.141 4.198 4.340 -0.001 0.000 0.215 259 L C 1.856 178.783 176.870 0.095 0.000 1.117 259 L CA 1.138 56.026 54.840 0.080 0.000 0.782 259 L CB -0.533 41.569 42.059 0.071 0.000 0.914 259 L HN 0.403 nan 8.230 nan 0.000 0.441 260 D N -2.385 118.069 120.400 0.090 0.000 2.350 260 D HA -0.044 4.596 4.640 -0.001 0.000 0.213 260 D C 0.874 177.229 176.300 0.091 0.000 1.031 260 D CA 0.231 54.276 54.000 0.076 0.000 0.861 260 D CB -0.025 40.807 40.800 0.054 0.000 0.926 260 D HN 0.260 nan 8.370 nan 0.000 0.520 261 H N 2.335 121.435 119.070 0.049 0.000 2.928 261 H HA -0.003 4.552 4.556 -0.001 0.000 0.338 261 H C -1.417 173.961 175.328 0.082 0.000 1.047 261 H CA -0.931 55.159 56.048 0.070 0.000 1.435 261 H CB 1.736 31.547 29.762 0.082 0.000 1.428 261 H HN -0.162 nan 8.280 nan 0.000 0.590 262 P HA -0.202 nan 4.420 nan 0.000 0.218 262 P C 1.507 178.902 177.300 0.159 0.000 1.146 262 P CA 1.025 64.109 63.100 -0.027 0.000 0.813 262 P CB -0.236 31.397 31.700 -0.112 0.000 0.778 263 F N 0.164 120.324 119.950 0.349 0.000 2.134 263 F HA -0.153 4.373 4.527 -0.001 0.000 0.299 263 F C 2.066 177.942 175.800 0.128 0.000 1.097 263 F CA 1.561 59.711 58.000 0.249 0.000 1.264 263 F CB -0.375 38.772 39.000 0.246 0.000 1.001 263 F HN -0.260 nan 8.300 nan 0.000 0.479 264 M N 0.083 119.766 119.600 0.139 0.000 2.388 264 M HA 0.057 4.536 4.480 -0.001 0.000 0.265 264 M C 1.004 177.278 176.300 -0.043 0.000 1.088 264 M CA 0.660 55.969 55.300 0.014 0.000 1.134 264 M CB -1.345 31.330 32.600 0.124 0.000 1.384 264 M HN 0.204 nan 8.290 nan 0.000 0.447 265 S N 0.000 115.691 115.700 -0.016 0.000 2.498 265 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 265 S CA 0.000 58.183 58.200 -0.028 0.000 1.107 265 S CB 0.000 63.202 63.200 0.004 0.000 0.593 265 S HN 0.000 nan 8.310 nan 0.000 0.517