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 3nnv_1_A DATA FIRST_RESID 5 DATA SEQUENCE RPTFYRQELN KTIWEVPERY QNLSPVGSGA YGSVCAAFDT KTGLRVAVKK DATA SEQUENCE LSRPFQSIIH AKRTYRELRL LKHMKHENVI GLLDVFTPAR SLEEFNDVYL DATA SEQUENCE VTHLMGADLN NIVKCQKLTD DHVQFLIYQI LRGLKYIHSA DIIHRDLKPS DATA SEQUENCE NLAVNEDCEL KILDFGLARH TDDEMTGYVA TRWYRAPEIM LNWMHYNQTV DATA SEQUENCE DIWSVGCIMA ELLTGRTLFP GTDHIDQLKL ILRLVGTPGA ELLKKISSES DATA SEQUENCE ARNYIQSLTQ MPKMNFANVF IGANPLAVDL LEKMLVLDSD KRITAAQALA DATA SEQUENCE HAYFAQYHDP DDEPVADPYD QSFESRDLLI DEWKSLTYDE VISFVPPP 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 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.369 176.300 0.115 0.000 0.893 5 R CA 0.000 56.178 56.100 0.130 0.000 0.921 5 R CB 0.000 30.394 30.300 0.157 0.000 0.687 6 P HA 0.212 nan 4.420 nan 0.000 0.272 6 P C -0.697 176.652 177.300 0.081 0.000 1.240 6 P CA -0.237 62.848 63.100 -0.025 0.000 0.791 6 P CB 0.693 32.246 31.700 -0.245 0.000 0.978 7 T N 1.218 115.786 114.554 0.024 0.000 2.869 7 T HA 0.358 4.717 4.350 0.014 0.000 0.295 7 T C -0.157 174.591 174.700 0.081 0.000 0.987 7 T CA 0.222 62.399 62.100 0.129 0.000 1.109 7 T CB -0.105 68.805 68.868 0.071 0.000 0.932 7 T HN 0.146 nan 8.240 nan 0.000 0.518 8 F N 2.552 122.530 119.950 0.046 0.000 2.458 8 F HA 0.570 5.106 4.527 0.014 0.000 0.330 8 F C 0.052 175.939 175.800 0.144 0.000 1.082 8 F CA -1.252 56.773 58.000 0.042 0.000 0.995 8 F CB 1.121 40.118 39.000 -0.006 0.000 1.170 8 F HN 0.589 nan 8.300 nan 0.000 0.478 9 Y N -0.545 119.844 120.300 0.148 0.000 2.570 9 Y HA 0.839 5.398 4.550 0.014 0.000 0.345 9 Y C -0.932 175.057 175.900 0.149 0.000 1.014 9 Y CA -1.568 56.603 58.100 0.120 0.000 1.063 9 Y CB 1.387 39.886 38.460 0.065 0.000 1.272 9 Y HN 0.479 nan 8.280 nan 0.000 0.477 10 R N 2.011 122.623 120.500 0.187 0.000 2.589 10 R HA 0.483 4.832 4.340 0.014 0.000 0.293 10 R C -1.353 175.039 176.300 0.153 0.000 0.963 10 R CA -0.971 55.198 56.100 0.116 0.000 0.905 10 R CB 2.132 32.513 30.300 0.135 0.000 1.144 10 R HN 0.884 nan 8.270 nan 0.000 0.459 11 Q N 1.098 120.981 119.800 0.139 0.000 2.391 11 Q HA 0.200 4.549 4.340 0.014 0.000 0.279 11 Q C -1.674 174.443 176.000 0.195 0.000 1.028 11 Q CA -0.611 55.290 55.803 0.163 0.000 0.836 11 Q CB 2.562 31.381 28.738 0.134 0.000 1.414 11 Q HN 0.538 nan 8.270 nan 0.000 0.397 12 E N 3.432 123.729 120.200 0.161 0.000 2.166 12 E HA 0.508 4.866 4.350 0.014 0.000 0.275 12 E C -1.509 175.180 176.600 0.148 0.000 0.941 12 E CA -0.518 55.987 56.400 0.175 0.000 0.784 12 E CB 1.041 30.816 29.700 0.125 0.000 1.115 12 E HN 0.560 nan 8.360 nan 0.000 0.399 13 L N 4.420 125.760 121.223 0.195 0.000 2.491 13 L HA 0.303 4.652 4.340 0.014 0.000 0.267 13 L C -0.664 176.294 176.870 0.146 0.000 0.971 13 L CA -0.843 54.059 54.840 0.103 0.000 0.857 13 L CB 1.555 43.581 42.059 -0.055 0.000 1.226 13 L HN 0.598 nan 8.230 nan 0.000 0.408 14 N N 2.584 121.340 118.700 0.093 0.000 2.714 14 N HA -0.277 4.471 4.740 0.014 0.000 0.253 14 N C 0.786 176.356 175.510 0.100 0.000 1.024 14 N CA 1.510 54.612 53.050 0.087 0.000 0.726 14 N CB -0.744 37.794 38.487 0.085 0.000 0.908 14 N HN 0.873 nan 8.380 nan 0.000 0.542 15 K N -3.908 116.547 120.400 0.092 0.000 3.529 15 K HA -0.262 4.067 4.320 0.014 0.000 0.313 15 K C 0.486 177.139 176.600 0.090 0.000 1.316 15 K CA 2.166 58.499 56.287 0.077 0.000 0.988 15 K CB -2.362 30.168 32.500 0.049 0.000 1.252 15 K HN 0.617 nan 8.250 nan 0.000 0.438 16 T N 1.661 116.306 114.554 0.152 0.000 2.794 16 T HA 0.664 5.023 4.350 0.014 0.000 0.280 16 T C 0.315 175.156 174.700 0.235 0.000 0.987 16 T CA -0.540 61.654 62.100 0.157 0.000 0.993 16 T CB 0.915 69.930 68.868 0.245 0.000 0.939 16 T HN 0.345 nan 8.240 nan 0.000 0.449 17 I N 2.876 123.510 120.570 0.106 0.000 2.496 17 I HA 0.214 4.393 4.170 0.014 0.000 0.285 17 I C -0.523 175.664 176.117 0.118 0.000 1.080 17 I CA -0.768 60.622 61.300 0.150 0.000 1.404 17 I CB 0.242 38.291 38.000 0.081 0.000 1.403 17 I HN 0.670 nan 8.210 nan 0.000 0.539 18 W N 4.775 126.148 121.300 0.122 0.000 2.471 18 W HA 0.459 5.127 4.660 0.014 0.000 0.318 18 W C 0.245 176.802 176.519 0.064 0.000 1.034 18 W CA -0.588 56.866 57.345 0.182 0.000 1.224 18 W CB 1.074 30.607 29.460 0.121 0.000 1.335 18 W HN 0.444 nan 8.180 nan 0.000 0.452 19 E N 3.332 123.678 120.200 0.244 0.000 2.207 19 E HA 0.492 4.851 4.350 0.014 0.000 0.250 19 E C -1.183 175.439 176.600 0.037 0.000 0.890 19 E CA -0.533 55.940 56.400 0.121 0.000 0.749 19 E CB 0.899 30.709 29.700 0.183 0.000 1.193 19 E HN 0.344 nan 8.360 nan 0.000 0.423 20 V N 1.334 121.154 119.914 -0.157 0.000 3.040 20 V HA 0.737 4.866 4.120 0.014 0.000 0.312 20 V C -2.757 172.956 176.094 -0.635 0.000 1.115 20 V CA -2.934 59.088 62.300 -0.463 0.000 0.998 20 V CB 1.625 33.255 31.823 -0.321 0.000 1.042 20 V HN 0.477 nan 8.190 nan 0.000 0.433 21 P HA 0.152 nan 4.420 nan 0.000 0.266 21 P C 0.578 177.731 177.300 -0.245 0.000 1.193 21 P CA 0.276 62.860 63.100 -0.859 0.000 0.770 21 P CB 0.372 31.529 31.700 -0.904 0.000 0.836 22 E N 2.705 122.848 120.200 -0.096 0.000 2.219 22 E HA -0.277 4.082 4.350 0.014 0.000 0.198 22 E C 1.831 178.369 176.600 -0.104 0.000 0.998 22 E CA 0.941 57.348 56.400 0.013 0.000 0.818 22 E CB -0.268 29.376 29.700 -0.093 0.000 0.741 22 E HN 0.522 nan 8.360 nan 0.000 0.477 23 R N 0.785 121.102 120.500 -0.304 0.000 2.159 23 R HA -0.152 4.197 4.340 0.014 0.000 0.237 23 R C 0.211 176.229 176.300 -0.469 0.000 1.131 23 R CA 1.006 56.834 56.100 -0.453 0.000 0.982 23 R CB -0.601 29.303 30.300 -0.660 0.000 0.868 23 R HN 0.152 nan 8.270 nan 0.000 0.453 24 Y N 1.874 122.133 120.300 -0.068 0.000 2.350 24 Y HA 0.301 4.859 4.550 0.014 0.000 0.340 24 Y C 0.389 176.369 175.900 0.133 0.000 1.006 24 Y CA -0.819 57.276 58.100 -0.010 0.000 1.166 24 Y CB 1.080 39.511 38.460 -0.048 0.000 1.168 24 Y HN 0.001 nan 8.280 nan 0.000 0.502 25 Q N 1.669 121.630 119.800 0.270 0.000 2.458 25 Q HA 0.212 4.560 4.340 0.014 0.000 0.282 25 Q C -0.278 175.854 176.000 0.221 0.000 1.106 25 Q CA -1.016 54.935 55.803 0.247 0.000 0.814 25 Q CB 2.130 30.977 28.738 0.183 0.000 1.425 25 Q HN 0.862 nan 8.270 nan 0.000 0.437 26 N N 0.907 119.704 118.700 0.160 0.000 2.727 26 N HA -0.210 4.539 4.740 0.014 0.000 0.251 26 N C -1.128 174.419 175.510 0.062 0.000 1.040 26 N CA -0.213 52.895 53.050 0.096 0.000 0.712 26 N CB -0.450 38.086 38.487 0.082 0.000 0.912 26 N HN 0.314 nan 8.380 nan 0.000 0.545 27 L N 1.298 122.543 121.223 0.036 0.000 2.499 27 L HA 0.143 4.492 4.340 0.014 0.000 0.273 27 L C 0.723 177.517 176.870 -0.127 0.000 1.195 27 L CA 1.072 55.856 54.840 -0.093 0.000 0.882 27 L CB 1.354 43.291 42.059 -0.203 0.000 1.133 27 L HN 0.271 nan 8.230 nan 0.000 0.483 28 S N 4.935 120.545 115.700 -0.149 0.000 2.614 28 S HA 0.653 5.132 4.470 0.014 0.000 0.288 28 S C -2.704 171.807 174.600 -0.149 0.000 1.137 28 S CA -1.507 56.623 58.200 -0.116 0.000 0.992 28 S CB 1.515 64.685 63.200 -0.049 0.000 1.026 28 S HN 0.253 nan 8.310 nan 0.000 0.486 29 P HA 0.077 nan 4.420 nan 0.000 0.265 29 P C 0.544 177.826 177.300 -0.030 0.000 1.193 29 P CA -0.144 62.899 63.100 -0.095 0.000 0.765 29 P CB 0.724 32.398 31.700 -0.043 0.000 0.823 30 V N 0.705 120.627 119.914 0.012 0.000 3.485 30 V HA 0.656 4.785 4.120 0.014 0.000 0.280 30 V C 0.317 176.443 176.094 0.053 0.000 1.495 30 V CA 0.687 63.012 62.300 0.041 0.000 1.018 30 V CB 0.167 32.033 31.823 0.072 0.000 0.818 30 V HN 0.647 nan 8.190 nan 0.000 0.436 31 G N -0.702 108.146 108.800 0.081 0.000 2.473 31 G HA2 0.517 4.486 3.960 0.014 0.000 0.298 31 G HA3 0.517 4.486 3.960 0.014 0.000 0.298 31 G C -1.554 173.411 174.900 0.109 0.000 1.575 31 G CA 0.300 45.440 45.100 0.067 0.000 0.846 31 G HN 0.474 nan 8.290 nan 0.000 0.585 32 S N -1.148 114.592 115.700 0.066 0.000 2.588 32 S HA 0.984 5.462 4.470 0.014 0.000 0.275 32 S C 0.066 174.686 174.600 0.034 0.000 1.130 32 S CA 0.345 58.587 58.200 0.071 0.000 0.855 32 S CB 1.893 65.130 63.200 0.061 0.000 1.116 32 S HN 2.197 nan 8.310 nan 0.000 0.472 33 G N 0.237 109.050 108.800 0.021 0.000 2.495 33 G HA2 0.573 4.542 3.960 0.014 0.000 0.294 33 G HA3 0.573 4.542 3.960 0.014 0.000 0.294 33 G C 0.473 175.337 174.900 -0.061 0.000 1.397 33 G CA 0.113 45.200 45.100 -0.020 0.000 0.790 33 G HN 1.030 nan 8.290 nan 0.000 0.486 34 A N -0.933 121.794 122.820 -0.154 0.000 1.940 34 A HA 0.014 4.342 4.320 0.014 0.000 0.219 34 A C 1.719 179.176 177.584 -0.212 0.000 1.176 34 A CA 1.928 53.817 52.037 -0.247 0.000 0.631 34 A CB -0.665 18.067 19.000 -0.447 0.000 0.814 34 A HN 0.687 nan 8.150 nan 0.000 0.446 35 Y N -1.074 119.188 120.300 -0.064 0.000 2.466 35 Y HA 0.381 4.939 4.550 0.015 0.000 0.272 35 Y C 1.340 177.175 175.900 -0.108 0.000 1.169 35 Y CA 0.024 58.060 58.100 -0.106 0.000 1.285 35 Y CB 0.346 38.703 38.460 -0.172 0.000 1.078 35 Y HN 0.521 nan 8.280 nan 0.000 0.523 36 G N -1.115 107.711 108.800 0.044 0.000 2.320 36 G HA2 0.351 4.319 3.960 0.014 0.000 0.297 36 G HA3 0.351 4.319 3.960 0.014 0.000 0.297 36 G C -1.592 173.324 174.900 0.027 0.000 1.344 36 G CA -0.798 44.289 45.100 -0.021 0.000 0.851 36 G HN -0.147 nan 8.290 nan 0.000 0.567 37 S N -1.801 113.925 115.700 0.043 0.000 2.595 37 S HA 0.823 5.301 4.470 0.014 0.000 0.281 37 S C -0.781 174.026 174.600 0.345 0.000 1.117 37 S CA -0.562 57.759 58.200 0.201 0.000 0.873 37 S CB 2.083 65.456 63.200 0.288 0.000 1.108 37 S HN 1.047 nan 8.310 nan 0.000 0.477 38 V N 1.729 121.861 119.914 0.363 0.000 2.656 38 V HA 0.627 4.755 4.120 0.014 0.000 0.307 38 V C -0.150 176.048 176.094 0.174 0.000 1.051 38 V CA -0.839 61.658 62.300 0.329 0.000 0.893 38 V CB 1.202 33.186 31.823 0.268 0.000 0.999 38 V HN 1.135 nan 8.190 nan 0.000 0.426 39 C N 2.657 121.957 119.300 -0.000 0.000 2.614 39 C HA 0.988 5.456 4.460 0.014 0.000 0.320 39 C C 0.395 175.329 174.990 -0.093 0.000 1.200 39 C CA -0.784 58.096 59.018 -0.231 0.000 1.700 39 C CB 0.920 28.218 27.740 -0.736 0.000 2.275 39 C HN 1.171 nan 8.230 nan 0.000 0.492 40 A N 1.746 124.526 122.820 -0.066 0.000 2.316 40 A HA 0.908 5.237 4.320 0.014 0.000 0.284 40 A C 0.226 177.804 177.584 -0.010 0.000 1.115 40 A CA 0.324 52.357 52.037 -0.007 0.000 0.812 40 A CB 0.405 19.418 19.000 0.021 0.000 1.064 40 A HN 2.502 nan 8.150 nan 0.000 0.489 41 A N 0.473 123.325 122.820 0.054 0.000 2.588 41 A HA 0.702 5.030 4.320 0.014 0.000 0.290 41 A C -1.507 176.212 177.584 0.225 0.000 1.136 41 A CA -0.452 51.657 52.037 0.120 0.000 0.681 41 A CB 0.738 19.804 19.000 0.110 0.000 1.282 41 A HN 1.521 nan 8.150 nan 0.000 0.421 42 F N 1.208 121.217 119.950 0.098 0.000 2.444 42 F HA 0.571 5.107 4.527 0.015 0.000 0.342 42 F C -0.487 175.386 175.800 0.121 0.000 1.121 42 F CA -0.875 57.177 58.000 0.087 0.000 0.997 42 F CB 1.480 40.508 39.000 0.046 0.000 1.130 42 F HN 0.520 nan 8.300 nan 0.000 0.454 43 D N 3.935 124.009 120.400 -0.544 0.000 2.411 43 D HA 0.113 4.762 4.640 0.014 0.000 0.225 43 D C 1.190 176.950 176.300 -0.901 0.000 1.156 43 D CA 0.036 53.743 54.000 -0.488 0.000 0.874 43 D CB 1.157 41.839 40.800 -0.197 0.000 1.034 43 D HN 0.679 nan 8.370 nan 0.000 0.502 44 T N 1.061 115.229 114.554 -0.645 0.000 2.929 44 T HA -0.127 4.232 4.350 0.014 0.000 0.271 44 T C 1.616 176.139 174.700 -0.294 0.000 1.085 44 T CA 0.855 62.713 62.100 -0.404 0.000 1.125 44 T CB 0.050 68.852 68.868 -0.110 0.000 0.874 44 T HN 0.281 nan 8.240 nan 0.000 0.494 45 K N 0.906 121.111 120.400 -0.326 0.000 2.116 45 K HA -0.003 4.325 4.320 0.014 0.000 0.203 45 K C 2.395 178.891 176.600 -0.174 0.000 1.052 45 K CA 1.555 57.708 56.287 -0.224 0.000 0.952 45 K CB 0.045 32.405 32.500 -0.234 0.000 0.729 45 K HN 0.630 nan 8.250 nan 0.000 0.446 46 T N -4.320 110.107 114.554 -0.212 0.000 3.001 46 T HA 0.194 4.553 4.350 0.014 0.000 0.251 46 T C 1.235 175.862 174.700 -0.122 0.000 1.040 46 T CA 0.369 62.390 62.100 -0.131 0.000 0.985 46 T CB 0.854 69.660 68.868 -0.102 0.000 1.011 46 T HN 0.245 nan 8.240 nan 0.000 0.509 47 G N 1.546 110.197 108.800 -0.248 0.000 2.148 47 G HA2 -0.208 3.760 3.960 0.014 0.000 0.254 47 G HA3 -0.208 3.760 3.960 0.014 0.000 0.254 47 G C -0.131 174.744 174.900 -0.041 0.000 0.981 47 G CA 0.286 45.311 45.100 -0.126 0.000 0.670 47 G HN 0.633 nan 8.290 nan 0.000 0.528 48 L N 0.470 121.586 121.223 -0.178 0.000 2.325 48 L HA 0.618 4.967 4.340 0.014 0.000 0.279 48 L C 0.801 177.694 176.870 0.038 0.000 1.054 48 L CA -1.350 53.490 54.840 -0.000 0.000 0.804 48 L CB 0.973 43.026 42.059 -0.009 0.000 1.200 48 L HN -0.057 nan 8.230 nan 0.000 0.436 49 R N 2.305 122.916 120.500 0.186 0.000 2.347 49 R HA 0.374 4.722 4.340 0.014 0.000 0.304 49 R C -0.456 175.914 176.300 0.116 0.000 1.072 49 R CA -0.242 55.980 56.100 0.203 0.000 0.980 49 R CB 0.770 31.185 30.300 0.192 0.000 0.986 49 R HN 0.510 nan 8.270 nan 0.000 0.448 50 V N -1.282 118.689 119.914 0.094 0.000 3.074 50 V HA 0.936 5.064 4.120 0.014 0.000 0.314 50 V C -0.390 175.724 176.094 0.033 0.000 1.117 50 V CA -1.337 60.987 62.300 0.040 0.000 1.014 50 V CB 2.217 34.047 31.823 0.013 0.000 1.057 50 V HN 0.736 nan 8.190 nan 0.000 0.438 51 A N 1.902 124.727 122.820 0.008 0.000 2.318 51 A HA 0.859 5.187 4.320 0.014 0.000 0.324 51 A C -0.670 176.906 177.584 -0.012 0.000 1.170 51 A CA -0.663 51.379 52.037 0.008 0.000 0.810 51 A CB 1.463 20.468 19.000 0.008 0.000 1.198 51 A HN 1.387 nan 8.150 nan 0.000 0.484 52 V N 2.828 122.765 119.914 0.038 0.000 2.409 52 V HA 0.393 4.521 4.120 0.014 0.000 0.291 52 V C 0.085 176.337 176.094 0.264 0.000 1.020 52 V CA -0.645 61.727 62.300 0.120 0.000 0.848 52 V CB 1.435 33.394 31.823 0.225 0.000 0.990 52 V HN 0.897 nan 8.190 nan 0.000 0.430 53 K N 4.713 125.180 120.400 0.113 0.000 2.263 53 K HA 0.418 4.747 4.320 0.014 0.000 0.272 53 K C -0.348 176.185 176.600 -0.111 0.000 1.033 53 K CA -0.604 55.719 56.287 0.060 0.000 0.884 53 K CB 0.893 33.360 32.500 -0.055 0.000 1.107 53 K HN 0.648 nan 8.250 nan 0.000 0.460 54 K N 6.367 126.611 120.400 -0.261 0.000 2.253 54 K HA 0.215 4.544 4.320 0.014 0.000 0.277 54 K C -0.586 175.693 176.600 -0.534 0.000 1.053 54 K CA -0.556 55.266 56.287 -0.774 0.000 0.892 54 K CB 0.621 32.252 32.500 -1.449 0.000 1.102 54 K HN 0.614 nan 8.250 nan 0.000 0.469 55 L N 2.771 123.687 121.223 -0.511 0.000 2.416 55 L HA 0.048 4.397 4.340 0.014 0.000 0.272 55 L C 0.659 177.319 176.870 -0.349 0.000 1.161 55 L CA -0.079 54.549 54.840 -0.355 0.000 0.845 55 L CB 1.245 43.096 42.059 -0.347 0.000 1.119 55 L HN 0.610 nan 8.230 nan 0.000 0.464 56 S N 4.274 119.854 115.700 -0.199 0.000 2.448 56 S HA 0.237 4.716 4.470 0.014 0.000 0.279 56 S C 0.382 174.893 174.600 -0.149 0.000 1.195 56 S CA -0.523 57.578 58.200 -0.165 0.000 1.051 56 S CB -0.111 63.045 63.200 -0.074 0.000 0.948 56 S HN 0.637 nan 8.310 nan 0.000 0.493 57 R N 3.348 123.713 120.500 -0.225 0.000 3.092 57 R HA -0.111 4.237 4.340 0.014 0.000 0.245 57 R C -1.969 174.152 176.300 -0.298 0.000 0.881 57 R CA 0.564 56.520 56.100 -0.241 0.000 0.614 57 R CB -1.492 28.678 30.300 -0.216 0.000 1.128 57 R HN 0.591 nan 8.270 nan 0.000 0.483 58 P HA -0.200 nan 4.420 nan 0.000 0.219 58 P C 0.369 177.174 177.300 -0.823 0.000 1.146 58 P CA 1.518 64.166 63.100 -0.753 0.000 0.808 58 P CB 0.069 31.004 31.700 -1.274 0.000 0.779 59 F N -0.144 119.744 119.950 -0.103 0.000 2.855 59 F HA 0.267 4.802 4.527 0.014 0.000 0.317 59 F C 2.186 177.944 175.800 -0.071 0.000 1.169 59 F CA -0.642 57.320 58.000 -0.062 0.000 1.299 59 F CB -0.267 38.679 39.000 -0.090 0.000 0.962 59 F HN -0.098 nan 8.300 nan 0.000 0.506 60 Q N 0.605 120.370 119.800 -0.057 0.000 2.311 60 Q HA 0.032 4.380 4.340 0.014 0.000 0.203 60 Q C 0.510 176.464 176.000 -0.077 0.000 0.954 60 Q CA 1.044 56.772 55.803 -0.125 0.000 0.885 60 Q CB 0.236 28.790 28.738 -0.307 0.000 0.963 60 Q HN 0.376 nan 8.270 nan 0.000 0.471 61 S N -1.877 113.816 115.700 -0.011 0.000 2.656 61 S HA 0.381 4.860 4.470 0.014 0.000 0.273 61 S C 0.417 175.102 174.600 0.141 0.000 1.168 61 S CA -0.868 57.371 58.200 0.065 0.000 0.817 61 S CB 0.286 63.528 63.200 0.069 0.000 1.146 61 S HN 0.131 nan 8.310 nan 0.000 0.475 62 I N 0.422 121.075 120.570 0.140 0.000 2.286 62 I HA -0.041 4.137 4.170 0.014 0.000 0.245 62 I C 1.904 178.045 176.117 0.040 0.000 1.104 62 I CA 0.938 62.331 61.300 0.154 0.000 1.397 62 I CB -0.310 37.800 38.000 0.183 0.000 1.072 62 I HN 0.566 nan 8.210 nan 0.000 0.417 63 I N 0.210 120.820 120.570 0.067 0.000 2.226 63 I HA -0.297 3.882 4.170 0.014 0.000 0.245 63 I C 2.404 178.497 176.117 -0.041 0.000 1.100 63 I CA 1.808 63.110 61.300 0.003 0.000 1.374 63 I CB -0.571 37.465 38.000 0.060 0.000 1.057 63 I HN 0.182 nan 8.210 nan 0.000 0.413 64 H N -0.286 118.755 119.070 -0.050 0.000 2.363 64 H HA 0.059 4.624 4.556 0.014 0.000 0.301 64 H C 2.235 177.480 175.328 -0.138 0.000 1.074 64 H CA 1.346 57.339 56.048 -0.092 0.000 1.354 64 H CB -0.515 29.208 29.762 -0.065 0.000 1.397 64 H HN 0.297 nan 8.280 nan 0.000 0.516 65 A N 0.853 123.728 122.820 0.092 0.000 1.908 65 A HA -0.227 4.101 4.320 0.014 0.000 0.218 65 A C 2.186 179.750 177.584 -0.032 0.000 1.181 65 A CA 1.947 54.105 52.037 0.201 0.000 0.627 65 A CB -0.421 18.827 19.000 0.413 0.000 0.818 65 A HN 0.384 nan 8.150 nan 0.000 0.445 66 K N -0.685 119.466 120.400 -0.415 0.000 2.103 66 K HA -0.056 4.272 4.320 0.014 0.000 0.204 66 K C 2.263 178.661 176.600 -0.337 0.000 1.052 66 K CA 0.868 56.678 56.287 -0.795 0.000 0.945 66 K CB -0.135 31.710 32.500 -1.092 0.000 0.722 66 K HN 0.414 nan 8.250 nan 0.000 0.443 67 R N -0.171 120.161 120.500 -0.280 0.000 2.096 67 R HA -0.083 4.266 4.340 0.014 0.000 0.235 67 R C 2.210 178.385 176.300 -0.208 0.000 1.127 67 R CA 1.835 57.770 56.100 -0.275 0.000 0.968 67 R CB -0.315 29.710 30.300 -0.457 0.000 0.861 67 R HN 0.222 nan 8.270 nan 0.000 0.440 68 T N 0.211 114.669 114.554 -0.160 0.000 2.737 68 T HA -0.196 4.163 4.350 0.014 0.000 0.265 68 T C 1.423 176.130 174.700 0.012 0.000 1.038 68 T CA 1.384 63.419 62.100 -0.109 0.000 1.144 68 T CB -0.430 68.347 68.868 -0.152 0.000 0.866 68 T HN 0.281 nan 8.240 nan 0.000 0.434 69 Y N 2.304 122.589 120.300 -0.025 0.000 2.128 69 Y HA -0.171 4.388 4.550 0.014 0.000 0.284 69 Y C 2.695 178.506 175.900 -0.148 0.000 1.154 69 Y CA 1.676 59.761 58.100 -0.026 0.000 1.149 69 Y CB -0.335 38.145 38.460 0.034 0.000 0.976 69 Y HN -0.013 nan 8.280 nan 0.000 0.505 70 R N 0.387 120.793 120.500 -0.157 0.000 2.096 70 R HA -0.257 4.091 4.340 0.014 0.000 0.240 70 R C 2.379 178.608 176.300 -0.119 0.000 1.139 70 R CA 2.171 58.212 56.100 -0.099 0.000 0.952 70 R CB -0.502 29.866 30.300 0.114 0.000 0.854 70 R HN 0.590 nan 8.270 nan 0.000 0.436 71 E N 0.010 120.130 120.200 -0.133 0.000 2.047 71 E HA -0.209 4.150 4.350 0.014 0.000 0.191 71 E C 2.029 178.549 176.600 -0.133 0.000 0.987 71 E CA 1.108 57.428 56.400 -0.133 0.000 0.799 71 E CB -0.104 29.502 29.700 -0.157 0.000 0.752 71 E HN 0.264 nan 8.360 nan 0.000 0.449 72 L N 1.491 122.627 121.223 -0.146 0.000 1.989 72 L HA -0.191 4.157 4.340 0.014 0.000 0.211 72 L C 2.302 179.091 176.870 -0.134 0.000 1.071 72 L CA 1.771 56.536 54.840 -0.125 0.000 0.749 72 L CB -0.619 41.393 42.059 -0.079 0.000 0.890 72 L HN 0.062 nan 8.230 nan 0.000 0.431 73 R N -0.463 119.869 120.500 -0.281 0.000 2.096 73 R HA -0.168 4.180 4.340 0.014 0.000 0.240 73 R C 2.354 178.666 176.300 0.020 0.000 1.139 73 R CA 1.887 57.861 56.100 -0.210 0.000 0.952 73 R CB -1.065 28.924 30.300 -0.517 0.000 0.854 73 R HN 0.432 nan 8.270 nan 0.000 0.436 74 L N 0.328 121.526 121.223 -0.041 0.000 2.005 74 L HA -0.150 4.198 4.340 0.014 0.000 0.207 74 L C 2.519 179.354 176.870 -0.057 0.000 1.072 74 L CA 1.090 55.850 54.840 -0.134 0.000 0.744 74 L CB -0.394 41.583 42.059 -0.136 0.000 0.895 74 L HN 0.144 nan 8.230 nan 0.000 0.433 75 L N -0.523 120.675 121.223 -0.042 0.000 2.083 75 L HA -0.248 4.101 4.340 0.014 0.000 0.209 75 L C 2.564 179.473 176.870 0.065 0.000 1.083 75 L CA 1.332 56.167 54.840 -0.009 0.000 0.752 75 L CB -0.510 41.520 42.059 -0.048 0.000 0.899 75 L HN 0.248 nan 8.230 nan 0.000 0.433 76 K N -0.960 119.496 120.400 0.094 0.000 2.147 76 K HA -0.232 4.096 4.320 0.014 0.000 0.205 76 K C 2.029 178.736 176.600 0.179 0.000 1.049 76 K CA 1.366 57.763 56.287 0.182 0.000 0.936 76 K CB -0.164 32.453 32.500 0.195 0.000 0.722 76 K HN 0.290 nan 8.250 nan 0.000 0.446 77 H N -0.282 118.825 119.070 0.061 0.000 2.482 77 H HA 0.114 4.678 4.556 0.014 0.000 0.286 77 H C 0.118 175.512 175.328 0.110 0.000 1.017 77 H CA 0.443 56.533 56.048 0.070 0.000 1.322 77 H CB 0.326 30.082 29.762 -0.009 0.000 1.426 77 H HN -0.089 nan 8.280 nan 0.000 0.546 78 M N 1.993 121.683 119.600 0.150 0.000 2.292 78 M HA 0.091 4.580 4.480 0.014 0.000 0.342 78 M C -0.566 175.779 176.300 0.076 0.000 1.538 78 M CA 0.735 56.144 55.300 0.181 0.000 1.163 78 M CB 0.256 32.925 32.600 0.115 0.000 1.823 78 M HN 0.151 nan 8.290 nan 0.000 0.462 79 K N 3.473 123.904 120.400 0.051 0.000 2.753 79 K HA 0.373 4.701 4.320 0.014 0.000 0.185 79 K C -1.109 175.346 176.600 -0.241 0.000 1.071 79 K CA -0.358 55.895 56.287 -0.056 0.000 0.999 79 K CB 1.134 33.631 32.500 -0.005 0.000 1.244 79 K HN 0.687 nan 8.250 nan 0.000 0.594 80 H N -0.538 118.263 119.070 -0.448 0.000 3.085 80 H HA 0.115 4.679 4.556 0.013 0.000 0.356 80 H C 0.239 175.369 175.328 -0.329 0.000 1.178 80 H CA -0.366 55.340 56.048 -0.570 0.000 1.214 80 H CB 1.527 30.571 29.762 -1.196 0.000 1.881 80 H HN 0.298 nan 8.280 nan 0.000 0.538 81 E N 1.935 121.812 120.200 -0.538 0.000 2.209 81 E HA -0.155 4.204 4.350 0.014 0.000 0.196 81 E C 0.259 176.775 176.600 -0.140 0.000 0.993 81 E CA 1.451 57.672 56.400 -0.299 0.000 0.819 81 E CB 0.066 29.580 29.700 -0.311 0.000 0.745 81 E HN 0.566 nan 8.360 nan 0.000 0.477 82 N N -0.367 118.379 118.700 0.076 0.000 2.251 82 N HA 0.088 4.837 4.740 0.014 0.000 0.217 82 N C -1.198 174.317 175.510 0.008 0.000 1.124 82 N CA -0.195 52.888 53.050 0.055 0.000 0.843 82 N CB 1.249 39.761 38.487 0.040 0.000 1.024 82 N HN -0.154 nan 8.380 nan 0.000 0.501 83 V N 1.071 120.987 119.914 0.003 0.000 2.789 83 V HA 0.290 4.418 4.120 0.014 0.000 0.311 83 V C 0.078 176.150 176.094 -0.035 0.000 1.073 83 V CA -1.282 60.992 62.300 -0.044 0.000 0.921 83 V CB 2.580 34.356 31.823 -0.078 0.000 1.009 83 V HN 0.142 nan 8.190 nan 0.000 0.426 84 I N 2.951 123.506 120.570 -0.026 0.000 2.919 84 I HA 0.325 4.504 4.170 0.014 0.000 0.303 84 I C 0.742 176.864 176.117 0.007 0.000 1.221 84 I CA 0.988 62.279 61.300 -0.015 0.000 1.444 84 I CB 0.323 38.297 38.000 -0.044 0.000 1.331 84 I HN 0.798 nan 8.210 nan 0.000 0.572 85 G N 6.812 115.642 108.800 0.050 0.000 2.511 85 G HA2 0.553 4.522 3.960 0.014 0.000 0.318 85 G HA3 0.553 4.522 3.960 0.014 0.000 0.318 85 G C -1.549 173.400 174.900 0.082 0.000 1.210 85 G CA -0.852 44.292 45.100 0.072 0.000 0.969 85 G HN 0.565 nan 8.290 nan 0.000 0.484 86 L N 1.026 122.311 121.223 0.104 0.000 2.257 86 L HA 0.412 4.760 4.340 0.014 0.000 0.290 86 L C 0.891 177.871 176.870 0.183 0.000 1.044 86 L CA -0.610 54.281 54.840 0.085 0.000 0.810 86 L CB 1.418 43.525 42.059 0.081 0.000 1.193 86 L HN 0.421 nan 8.230 nan 0.000 0.425 87 L N 3.035 124.305 121.223 0.078 0.000 2.179 87 L HA 0.249 4.597 4.340 0.014 0.000 0.208 87 L C 0.070 177.093 176.870 0.255 0.000 1.096 87 L CA 1.098 56.011 54.840 0.122 0.000 0.779 87 L CB -0.296 41.739 42.059 -0.039 0.000 0.922 87 L HN 0.764 nan 8.230 nan 0.000 0.443 88 D N -2.696 117.705 120.400 0.003 0.000 2.685 88 D HA 0.369 5.017 4.640 0.014 0.000 0.236 88 D C -1.674 174.352 176.300 -0.456 0.000 1.233 88 D CA -0.183 53.742 54.000 -0.125 0.000 0.760 88 D CB 1.899 42.840 40.800 0.236 0.000 1.410 88 D HN -0.261 nan 8.370 nan 0.000 0.439 89 V N 3.084 122.656 119.914 -0.571 0.000 2.808 89 V HA 0.915 5.043 4.120 0.014 0.000 0.308 89 V C -1.634 174.444 176.094 -0.026 0.000 1.099 89 V CA -0.474 61.599 62.300 -0.379 0.000 0.920 89 V CB 1.225 32.758 31.823 -0.482 0.000 1.014 89 V HN 0.526 nan 8.190 nan 0.000 0.425 90 F N 2.545 122.544 119.950 0.082 0.000 2.662 90 F HA 0.927 5.463 4.527 0.014 0.000 0.312 90 F C -0.672 175.346 175.800 0.363 0.000 1.113 90 F CA -0.622 57.506 58.000 0.214 0.000 0.951 90 F CB 1.807 40.939 39.000 0.220 0.000 1.344 90 F HN 0.596 nan 8.300 nan 0.000 0.462 91 T N 1.042 115.987 114.554 0.652 0.000 2.933 91 T HA 0.471 4.830 4.350 0.014 0.000 0.305 91 T C -2.382 172.497 174.700 0.298 0.000 1.092 91 T CA -1.780 60.669 62.100 0.581 0.000 1.008 91 T CB 1.956 71.198 68.868 0.622 0.000 1.102 91 T HN 0.537 nan 8.240 nan 0.000 0.469 92 P HA 0.156 nan 4.420 nan 0.000 0.226 92 P C 0.417 177.538 177.300 -0.298 0.000 1.153 92 P CA 0.166 62.864 63.100 -0.670 0.000 0.777 92 P CB -0.205 31.286 31.700 -0.348 0.000 0.794 93 A N 0.809 123.649 122.820 0.033 0.000 2.511 93 A HA 0.085 4.414 4.320 0.014 0.000 0.242 93 A C 1.349 178.990 177.584 0.095 0.000 1.069 93 A CA -0.055 52.048 52.037 0.109 0.000 0.763 93 A CB -0.083 19.094 19.000 0.295 0.000 1.001 93 A HN 0.027 nan 8.150 nan 0.000 0.498 94 R N 0.460 120.995 120.500 0.058 0.000 2.280 94 R HA 0.090 4.438 4.340 0.014 0.000 0.195 94 R C 0.114 176.476 176.300 0.103 0.000 0.935 94 R CA 0.962 57.105 56.100 0.073 0.000 1.033 94 R CB 0.102 30.424 30.300 0.036 0.000 0.964 94 R HN 0.887 nan 8.270 nan 0.000 0.489 95 S N -1.527 114.210 115.700 0.060 0.000 2.638 95 S HA 0.147 4.625 4.470 0.014 0.000 0.274 95 S C 0.363 174.761 174.600 -0.336 0.000 1.157 95 S CA -0.893 57.288 58.200 -0.032 0.000 0.826 95 S CB 1.290 64.467 63.200 -0.039 0.000 1.139 95 S HN -0.026 nan 8.310 nan 0.000 0.474 96 L N 1.224 122.075 121.223 -0.621 0.000 2.042 96 L HA 0.016 4.365 4.340 0.014 0.000 0.210 96 L C 2.166 178.844 176.870 -0.319 0.000 1.076 96 L CA 2.217 56.567 54.840 -0.816 0.000 0.749 96 L CB -1.253 40.477 42.059 -0.547 0.000 0.893 96 L HN 0.862 nan 8.230 nan 0.000 0.432 97 E N -0.150 119.939 120.200 -0.186 0.000 2.077 97 E HA -0.238 4.120 4.350 0.014 0.000 0.193 97 E C 2.214 178.781 176.600 -0.056 0.000 0.989 97 E CA 1.555 57.896 56.400 -0.098 0.000 0.800 97 E CB -0.218 29.442 29.700 -0.068 0.000 0.746 97 E HN 0.603 nan 8.360 nan 0.000 0.452 98 E N -0.775 119.402 120.200 -0.038 0.000 2.347 98 E HA -0.064 4.295 4.350 0.014 0.000 0.196 98 E C -0.246 176.404 176.600 0.084 0.000 1.008 98 E CA -0.237 56.172 56.400 0.015 0.000 0.852 98 E CB 0.035 29.750 29.700 0.024 0.000 0.783 98 E HN 0.090 nan 8.360 nan 0.000 0.505 99 F N 1.291 121.165 119.950 -0.127 0.000 2.519 99 F HA 0.077 4.613 4.527 0.014 0.000 0.375 99 F C 0.568 176.409 175.800 0.069 0.000 1.084 99 F CA 0.235 58.207 58.000 -0.046 0.000 1.147 99 F CB 0.260 39.131 39.000 -0.214 0.000 1.088 99 F HN -0.116 nan 8.300 nan 0.000 0.555 100 N N 3.042 121.682 118.700 -0.101 0.000 2.011 100 N HA 0.046 4.794 4.740 0.014 0.000 0.228 100 N C -1.189 174.201 175.510 -0.201 0.000 1.378 100 N CA 0.060 53.042 53.050 -0.113 0.000 0.852 100 N CB 0.631 39.096 38.487 -0.036 0.000 1.111 100 N HN 0.517 nan 8.380 nan 0.000 0.497 101 D N 0.289 120.576 120.400 -0.188 0.000 2.732 101 D HA 0.411 5.060 4.640 0.014 0.000 0.229 101 D C -0.756 175.492 176.300 -0.086 0.000 1.152 101 D CA -0.271 53.598 54.000 -0.218 0.000 0.854 101 D CB 3.475 44.197 40.800 -0.129 0.000 1.590 101 D HN -0.337 nan 8.370 nan 0.000 0.468 102 V N 1.996 121.748 119.914 -0.270 0.000 2.638 102 V HA 0.435 4.563 4.120 0.014 0.000 0.306 102 V C -1.307 174.553 176.094 -0.391 0.000 1.052 102 V CA -0.697 61.541 62.300 -0.103 0.000 0.885 102 V CB 1.587 33.371 31.823 -0.065 0.000 0.999 102 V HN 0.428 nan 8.190 nan 0.000 0.424 103 Y N 4.166 124.188 120.300 -0.464 0.000 2.425 103 Y HA 0.752 5.311 4.550 0.014 0.000 0.344 103 Y C -0.229 175.267 175.900 -0.674 0.000 0.969 103 Y CA -0.848 56.837 58.100 -0.692 0.000 1.052 103 Y CB 1.923 39.612 38.460 -1.284 0.000 1.215 103 Y HN 0.414 nan 8.280 nan 0.000 0.451 104 L N 3.537 124.583 121.223 -0.294 0.000 2.346 104 L HA 0.848 5.197 4.340 0.014 0.000 0.274 104 L C -1.034 175.728 176.870 -0.179 0.000 1.007 104 L CA -1.181 53.510 54.840 -0.249 0.000 0.818 104 L CB 1.933 43.874 42.059 -0.196 0.000 1.284 104 L HN 0.301 nan 8.230 nan 0.000 0.424 105 V N 1.038 120.852 119.914 -0.167 0.000 2.588 105 V HA 0.699 4.827 4.120 0.014 0.000 0.304 105 V C -0.188 175.849 176.094 -0.095 0.000 1.042 105 V CA -0.335 61.893 62.300 -0.121 0.000 0.877 105 V CB 2.054 33.812 31.823 -0.109 0.000 0.996 105 V HN 0.874 nan 8.190 nan 0.000 0.425 106 T N 1.378 115.882 114.554 -0.082 0.000 2.812 106 T HA 0.436 4.794 4.350 0.014 0.000 0.294 106 T C -0.757 173.898 174.700 -0.075 0.000 1.159 106 T CA -0.597 61.463 62.100 -0.067 0.000 1.008 106 T CB 1.314 70.169 68.868 -0.020 0.000 1.289 106 T HN 0.750 nan 8.240 nan 0.000 0.514 107 H N 1.534 120.607 119.070 0.005 0.000 3.001 107 H HA 0.145 4.709 4.556 0.014 0.000 0.334 107 H C 0.120 175.455 175.328 0.011 0.000 1.034 107 H CA -0.078 55.980 56.048 0.015 0.000 1.420 107 H CB 0.498 30.267 29.762 0.011 0.000 1.405 107 H HN 0.289 nan 8.280 nan 0.000 0.593 108 L N 3.021 124.328 121.223 0.139 0.000 2.410 108 L HA 0.005 4.354 4.340 0.014 0.000 0.273 108 L C 0.987 177.919 176.870 0.104 0.000 1.152 108 L CA 0.332 55.233 54.840 0.102 0.000 0.855 108 L CB 0.673 42.790 42.059 0.097 0.000 1.129 108 L HN 0.669 nan 8.230 nan 0.000 0.463 109 M N 3.057 122.708 119.600 0.086 0.000 2.730 109 M HA 0.363 4.851 4.480 0.014 0.000 0.258 109 M C 0.964 177.307 176.300 0.071 0.000 1.279 109 M CA 0.792 56.134 55.300 0.071 0.000 1.183 109 M CB 0.218 32.849 32.600 0.052 0.000 1.291 109 M HN 0.819 nan 8.290 nan 0.000 0.518 110 G N 2.083 110.938 108.800 0.091 0.000 2.172 110 G HA2 0.107 4.076 3.960 0.014 0.000 0.244 110 G HA3 0.107 4.076 3.960 0.014 0.000 0.244 110 G C -0.145 174.788 174.900 0.055 0.000 0.743 110 G CA 0.426 45.573 45.100 0.078 0.000 1.146 110 G HN 1.342 nan 8.290 nan 0.000 0.327 111 A N 0.959 123.811 122.820 0.054 0.000 0.690 111 A HA 0.502 4.830 4.320 0.014 0.000 0.199 111 A C -0.273 177.330 177.584 0.032 0.000 0.606 111 A CA 0.318 52.373 52.037 0.031 0.000 0.430 111 A CB -0.546 18.467 19.000 0.022 0.000 0.677 111 A HN 1.929 nan 8.150 nan 0.000 0.332 112 D N 1.253 121.667 120.400 0.022 0.000 2.569 112 D HA 0.618 5.266 4.640 0.014 0.000 0.266 112 D C 0.948 177.242 176.300 -0.010 0.000 1.164 112 D CA -0.683 53.326 54.000 0.015 0.000 1.071 112 D CB 0.380 41.192 40.800 0.020 0.000 1.183 112 D HN 0.540 nan 8.370 nan 0.000 0.613 113 L N 0.269 121.475 121.223 -0.028 0.000 2.275 113 L HA 0.031 4.380 4.340 0.014 0.000 0.215 113 L C 1.457 178.313 176.870 -0.022 0.000 1.119 113 L CA 1.504 56.323 54.840 -0.036 0.000 0.790 113 L CB -1.117 40.906 42.059 -0.060 0.000 0.919 113 L HN 0.438 nan 8.230 nan 0.000 0.443 114 N N -0.252 118.435 118.700 -0.021 0.000 2.069 114 N HA -0.226 4.522 4.740 0.014 0.000 0.191 114 N C 1.153 176.667 175.510 0.006 0.000 1.031 114 N CA 1.713 54.763 53.050 0.001 0.000 0.852 114 N CB -0.314 38.172 38.487 -0.000 0.000 1.018 114 N HN 0.500 nan 8.380 nan 0.000 0.423 115 N N -0.344 118.356 118.700 -0.001 0.000 2.635 115 N HA -0.046 4.703 4.740 0.014 0.000 0.191 115 N C 0.577 176.087 175.510 -0.001 0.000 1.155 115 N CA 0.316 53.367 53.050 0.001 0.000 0.927 115 N CB 0.217 38.705 38.487 0.001 0.000 0.976 115 N HN 0.251 nan 8.380 nan 0.000 0.448 116 I N -1.547 119.022 120.570 -0.003 0.000 3.570 116 I HA -0.027 4.151 4.170 0.014 0.000 0.270 116 I C 1.838 177.959 176.117 0.006 0.000 1.162 116 I CA 0.209 61.504 61.300 -0.007 0.000 1.413 116 I CB -0.328 37.660 38.000 -0.020 0.000 1.437 116 I HN -0.109 nan 8.210 nan 0.000 0.457 117 V N 2.596 122.519 119.914 0.015 0.000 2.332 117 V HA -0.297 3.832 4.120 0.014 0.000 0.248 117 V C 2.525 178.638 176.094 0.032 0.000 1.055 117 V CA 2.589 64.906 62.300 0.029 0.000 1.038 117 V CB -0.543 31.303 31.823 0.039 0.000 0.651 117 V HN 0.555 nan 8.190 nan 0.000 0.450 118 K N -1.125 119.294 120.400 0.030 0.000 2.076 118 K HA -0.073 4.255 4.320 0.014 0.000 0.204 118 K C 2.074 178.689 176.600 0.025 0.000 1.051 118 K CA 1.585 57.890 56.287 0.031 0.000 0.949 118 K CB -0.852 31.670 32.500 0.036 0.000 0.726 118 K HN 0.555 nan 8.250 nan 0.000 0.443 119 C N 1.619 120.931 119.300 0.020 0.000 5.003 119 C HA 0.007 4.476 4.460 0.014 0.000 0.292 119 C C 1.538 176.539 174.990 0.018 0.000 1.294 119 C CA -0.164 58.863 59.018 0.016 0.000 1.820 119 C CB -0.848 26.898 27.740 0.010 0.000 2.115 119 C HN 0.545 nan 8.230 nan 0.000 0.469 120 Q N 1.500 121.307 119.800 0.012 0.000 2.369 120 Q HA 0.001 4.350 4.340 0.014 0.000 0.295 120 Q C -0.278 175.744 176.000 0.036 0.000 1.075 120 Q CA 0.673 56.485 55.803 0.015 0.000 0.941 120 Q CB 0.401 29.130 28.738 -0.014 0.000 1.260 120 Q HN 0.365 nan 8.270 nan 0.000 0.417 121 K N 4.143 124.574 120.400 0.052 0.000 2.262 121 K HA 0.201 4.529 4.320 0.014 0.000 0.288 121 K C -0.518 176.156 176.600 0.124 0.000 1.090 121 K CA -0.060 56.270 56.287 0.072 0.000 0.918 121 K CB -0.001 32.536 32.500 0.063 0.000 1.139 121 K HN 0.524 nan 8.250 nan 0.000 0.462 122 L N 3.078 124.384 121.223 0.138 0.000 2.331 122 L HA 0.096 4.444 4.340 0.014 0.000 0.278 122 L C 1.392 178.397 176.870 0.225 0.000 1.106 122 L CA -0.230 54.760 54.840 0.250 0.000 0.824 122 L CB 0.796 42.963 42.059 0.180 0.000 1.142 122 L HN 0.606 nan 8.230 nan 0.000 0.443 123 T N -1.973 112.733 114.554 0.254 0.000 2.788 123 T HA 0.027 4.386 4.350 0.014 0.000 0.280 123 T C 0.800 175.529 174.700 0.047 0.000 0.984 123 T CA -0.487 61.629 62.100 0.026 0.000 0.972 123 T CB 1.190 69.947 68.868 -0.186 0.000 1.039 123 T HN 0.654 nan 8.240 nan 0.000 0.530 124 D N -0.301 120.120 120.400 0.036 0.000 2.178 124 D HA -0.123 4.526 4.640 0.014 0.000 0.201 124 D C 1.605 177.948 176.300 0.071 0.000 0.980 124 D CA 1.361 55.418 54.000 0.095 0.000 0.842 124 D CB -0.190 40.672 40.800 0.103 0.000 0.948 124 D HN 0.614 nan 8.370 nan 0.000 0.472 125 D N -1.079 119.307 120.400 -0.024 0.000 2.144 125 D HA -0.141 4.508 4.640 0.014 0.000 0.200 125 D C 1.772 178.142 176.300 0.117 0.000 0.978 125 D CA 0.863 54.866 54.000 0.004 0.000 0.833 125 D CB -0.346 40.403 40.800 -0.085 0.000 0.961 125 D HN 0.549 nan 8.370 nan 0.000 0.470 126 H N 0.476 119.633 119.070 0.144 0.000 2.319 126 H HA -0.091 4.474 4.556 0.014 0.000 0.299 126 H C 2.416 177.842 175.328 0.164 0.000 1.092 126 H CA 0.746 56.892 56.048 0.164 0.000 1.302 126 H CB 0.113 29.947 29.762 0.120 0.000 1.373 126 H HN -0.057 nan 8.280 nan 0.000 0.497 127 V N 0.979 121.056 119.914 0.273 0.000 2.343 127 V HA -0.281 3.847 4.120 0.014 0.000 0.247 127 V C 2.206 178.470 176.094 0.284 0.000 1.051 127 V CA 1.809 64.256 62.300 0.246 0.000 1.036 127 V CB -0.556 31.415 31.823 0.247 0.000 0.654 127 V HN 0.456 nan 8.190 nan 0.000 0.451 128 Q N -1.029 118.895 119.800 0.207 0.000 2.030 128 Q HA -0.247 4.101 4.340 0.014 0.000 0.204 128 Q C 2.199 178.356 176.000 0.261 0.000 0.986 128 Q CA 2.277 58.173 55.803 0.155 0.000 0.843 128 Q CB -0.328 28.402 28.738 -0.014 0.000 0.904 128 Q HN 0.624 nan 8.270 nan 0.000 0.420 129 F N 0.901 120.768 119.950 -0.139 0.000 2.146 129 F HA -0.129 4.406 4.527 0.013 0.000 0.298 129 F C 1.720 177.434 175.800 -0.142 0.000 1.096 129 F CA 1.130 58.846 58.000 -0.473 0.000 1.275 129 F CB -0.275 38.490 39.000 -0.390 0.000 1.008 129 F HN -0.022 nan 8.300 nan 0.000 0.480 130 L N -0.428 120.751 121.223 -0.073 0.000 2.005 130 L HA -0.244 4.105 4.340 0.014 0.000 0.207 130 L C 2.466 179.261 176.870 -0.125 0.000 1.072 130 L CA 0.792 55.532 54.840 -0.168 0.000 0.744 130 L CB -0.707 41.329 42.059 -0.038 0.000 0.895 130 L HN 0.064 nan 8.230 nan 0.000 0.433 131 I N -0.916 119.679 120.570 0.041 0.000 2.226 131 I HA -0.318 3.860 4.170 0.014 0.000 0.245 131 I C 2.507 178.519 176.117 -0.174 0.000 1.100 131 I CA 1.550 62.886 61.300 0.060 0.000 1.374 131 I CB -1.306 36.901 38.000 0.346 0.000 1.057 131 I HN 0.266 nan 8.210 nan 0.000 0.413 132 Y N 2.271 122.341 120.300 -0.383 0.000 2.114 132 Y HA -0.311 4.247 4.550 0.012 0.000 0.282 132 Y C 2.719 178.364 175.900 -0.424 0.000 1.165 132 Y CA 2.062 59.742 58.100 -0.700 0.000 1.148 132 Y CB -0.403 37.782 38.460 -0.457 0.000 0.972 132 Y HN 0.262 nan 8.280 nan 0.000 0.504 133 Q N -0.089 119.445 119.800 -0.444 0.000 2.079 133 Q HA -0.138 4.211 4.340 0.014 0.000 0.200 133 Q C 2.353 178.134 176.000 -0.365 0.000 0.974 133 Q CA 1.925 57.458 55.803 -0.450 0.000 0.840 133 Q CB -0.191 28.280 28.738 -0.444 0.000 0.898 133 Q HN 0.569 nan 8.270 nan 0.000 0.430 134 I N 0.715 121.103 120.570 -0.303 0.000 2.118 134 I HA -0.335 3.844 4.170 0.014 0.000 0.241 134 I C 2.188 178.139 176.117 -0.277 0.000 1.070 134 I CA 1.357 62.511 61.300 -0.243 0.000 1.327 134 I CB -0.354 37.538 38.000 -0.179 0.000 1.034 134 I HN 0.215 nan 8.210 nan 0.000 0.405 135 L N 0.075 121.097 121.223 -0.334 0.000 2.141 135 L HA -0.167 4.181 4.340 0.014 0.000 0.209 135 L C 2.772 179.435 176.870 -0.344 0.000 1.094 135 L CA 1.042 55.693 54.840 -0.315 0.000 0.763 135 L CB -0.472 41.377 42.059 -0.350 0.000 0.908 135 L HN 0.220 nan 8.230 nan 0.000 0.437 136 R N 0.150 120.368 120.500 -0.470 0.000 2.075 136 R HA -0.117 4.232 4.340 0.014 0.000 0.232 136 R C 2.256 178.403 176.300 -0.257 0.000 1.126 136 R CA 1.411 57.296 56.100 -0.359 0.000 0.963 136 R CB -0.436 29.557 30.300 -0.510 0.000 0.858 136 R HN 0.337 nan 8.270 nan 0.000 0.435 137 G N 1.105 109.735 108.800 -0.284 0.000 2.418 137 G HA2 -0.227 3.741 3.960 0.014 0.000 0.217 137 G HA3 -0.227 3.741 3.960 0.014 0.000 0.217 137 G C 1.237 175.941 174.900 -0.327 0.000 1.158 137 G CA 0.333 45.192 45.100 -0.402 0.000 0.771 137 G HN 0.194 nan 8.290 nan 0.000 0.545 138 L N 0.985 122.027 121.223 -0.303 0.000 2.083 138 L HA 0.026 4.375 4.340 0.014 0.000 0.209 138 L C 2.687 179.326 176.870 -0.386 0.000 1.083 138 L CA 1.877 56.466 54.840 -0.418 0.000 0.752 138 L CB -0.717 41.072 42.059 -0.451 0.000 0.899 138 L HN 0.301 nan 8.230 nan 0.000 0.433 139 K N -1.526 118.743 120.400 -0.217 0.000 2.032 139 K HA -0.287 4.042 4.320 0.014 0.000 0.209 139 K C 2.355 178.935 176.600 -0.032 0.000 1.048 139 K CA 1.963 58.205 56.287 -0.074 0.000 0.927 139 K CB -0.457 32.026 32.500 -0.027 0.000 0.712 139 K HN 0.312 nan 8.250 nan 0.000 0.441 140 Y N 1.314 121.474 120.300 -0.234 0.000 2.114 140 Y HA -0.195 4.362 4.550 0.011 0.000 0.284 140 Y C 1.934 177.758 175.900 -0.127 0.000 1.143 140 Y CA 1.875 59.850 58.100 -0.209 0.000 1.135 140 Y CB -0.168 37.989 38.460 -0.505 0.000 0.980 140 Y HN 0.018 nan 8.280 nan 0.000 0.499 141 I N -0.305 120.259 120.570 -0.009 0.000 2.163 141 I HA -0.392 3.787 4.170 0.014 0.000 0.243 141 I C 2.223 178.361 176.117 0.035 0.000 1.085 141 I CA 1.983 63.274 61.300 -0.016 0.000 1.347 141 I CB -0.604 37.397 38.000 0.002 0.000 1.044 141 I HN 0.375 nan 8.210 nan 0.000 0.408 142 H N -0.309 118.739 119.070 -0.035 0.000 2.457 142 H HA -0.107 4.457 4.556 0.013 0.000 0.294 142 H C 2.462 177.770 175.328 -0.034 0.000 1.064 142 H CA 1.085 57.125 56.048 -0.014 0.000 1.330 142 H CB 0.111 29.879 29.762 0.010 0.000 1.395 142 H HN 0.391 nan 8.280 nan 0.000 0.541 143 S N 0.500 116.227 115.700 0.045 0.000 2.474 143 S HA -0.013 4.465 4.470 0.014 0.000 0.235 143 S C 1.981 176.561 174.600 -0.033 0.000 0.997 143 S CA 0.560 58.754 58.200 -0.009 0.000 0.949 143 S CB 0.105 63.276 63.200 -0.049 0.000 0.766 143 S HN 0.388 nan 8.310 nan 0.000 0.517 144 A N 1.090 123.872 122.820 -0.063 0.000 2.307 144 A HA 0.276 4.604 4.320 0.014 0.000 0.218 144 A C 0.411 178.031 177.584 0.061 0.000 1.228 144 A CA 0.190 52.216 52.037 -0.019 0.000 0.857 144 A CB -0.376 18.559 19.000 -0.109 0.000 0.897 144 A HN 0.375 nan 8.150 nan 0.000 0.495 145 D N -0.833 119.595 120.400 0.048 0.000 2.772 145 D HA -0.159 4.490 4.640 0.014 0.000 0.233 145 D C -0.331 176.013 176.300 0.073 0.000 1.143 145 D CA 1.056 55.085 54.000 0.048 0.000 0.700 145 D CB -1.479 39.341 40.800 0.033 0.000 1.076 145 D HN 0.565 nan 8.370 nan 0.000 0.430 146 I N 0.667 121.287 120.570 0.084 0.000 2.359 146 I HA 0.341 4.519 4.170 0.014 0.000 0.294 146 I C 0.851 177.063 176.117 0.159 0.000 0.987 146 I CA -0.730 60.623 61.300 0.089 0.000 1.225 146 I CB 1.358 39.364 38.000 0.010 0.000 1.366 146 I HN -0.148 nan 8.210 nan 0.000 0.466 147 I N 5.159 125.810 120.570 0.136 0.000 2.354 147 I HA 0.186 4.365 4.170 0.014 0.000 0.292 147 I C 1.213 177.442 176.117 0.187 0.000 0.989 147 I CA -0.475 60.940 61.300 0.192 0.000 1.188 147 I CB 1.363 39.469 38.000 0.177 0.000 1.342 147 I HN 0.662 nan 8.210 nan 0.000 0.457 148 H N 6.677 125.842 119.070 0.160 0.000 2.299 148 H HA -0.006 4.558 4.556 0.014 0.000 0.302 148 H C 1.218 176.597 175.328 0.086 0.000 1.078 148 H CA 2.072 58.177 56.048 0.096 0.000 1.323 148 H CB 0.414 30.218 29.762 0.071 0.000 1.381 148 H HN 0.641 nan 8.280 nan 0.000 0.498 149 R N -1.177 119.505 120.500 0.303 0.000 3.746 149 R HA -0.182 4.166 4.340 0.014 0.000 0.465 149 R C -0.216 176.192 176.300 0.180 0.000 0.725 149 R CA 1.432 57.626 56.100 0.155 0.000 1.545 149 R CB -1.421 28.933 30.300 0.089 0.000 2.197 149 R HN 0.340 nan 8.270 nan 0.000 0.438 150 D N 0.184 120.828 120.400 0.407 0.000 2.837 150 D HA 0.193 4.841 4.640 0.014 0.000 0.340 150 D C -1.139 175.219 176.300 0.096 0.000 1.451 150 D CA -0.351 53.812 54.000 0.272 0.000 0.798 150 D CB 0.393 41.412 40.800 0.364 0.000 1.169 150 D HN -0.043 nan 8.370 nan 0.000 0.449 151 L N 2.132 123.285 121.223 -0.117 0.000 2.367 151 L HA 0.378 4.726 4.340 0.014 0.000 0.275 151 L C 0.111 176.862 176.870 -0.199 0.000 1.129 151 L CA 0.654 55.281 54.840 -0.355 0.000 0.839 151 L CB 0.091 41.971 42.059 -0.298 0.000 1.133 151 L HN 0.203 nan 8.230 nan 0.000 0.453 152 K N 2.767 122.983 120.400 -0.306 0.000 2.642 152 K HA 0.419 4.747 4.320 0.014 0.000 0.290 152 K C -2.789 173.541 176.600 -0.450 0.000 1.006 152 K CA -1.417 54.521 56.287 -0.581 0.000 0.869 152 K CB 0.563 32.779 32.500 -0.474 0.000 1.499 152 K HN 0.022 nan 8.250 nan 0.000 0.403 153 P HA -0.253 nan 4.420 nan 0.000 0.216 153 P C 1.158 178.372 177.300 -0.143 0.000 1.150 153 P CA 2.031 64.973 63.100 -0.264 0.000 0.843 153 P CB 0.057 31.633 31.700 -0.206 0.000 0.787 154 S N -2.048 113.575 115.700 -0.130 0.000 2.515 154 S HA -0.042 4.437 4.470 0.014 0.000 0.231 154 S C 1.407 176.040 174.600 0.055 0.000 0.987 154 S CA 0.776 58.940 58.200 -0.059 0.000 0.936 154 S CB -1.261 61.879 63.200 -0.099 0.000 0.766 154 S HN 0.238 nan 8.310 nan 0.000 0.528 155 N N 0.503 119.222 118.700 0.031 0.000 2.268 155 N HA 0.337 5.086 4.740 0.014 0.000 0.204 155 N C -0.998 174.531 175.510 0.032 0.000 1.124 155 N CA -0.082 53.033 53.050 0.109 0.000 0.838 155 N CB 0.217 38.761 38.487 0.094 0.000 0.994 155 N HN 0.355 nan 8.380 nan 0.000 0.489 156 L N 1.128 122.346 121.223 -0.008 0.000 2.319 156 L HA 0.576 4.925 4.340 0.014 0.000 0.281 156 L C -0.395 176.473 176.870 -0.004 0.000 1.005 156 L CA -0.839 53.978 54.840 -0.037 0.000 0.828 156 L CB 1.649 43.654 42.059 -0.089 0.000 1.227 156 L HN -0.078 nan 8.230 nan 0.000 0.415 157 A N 4.076 126.896 122.820 0.000 0.000 2.301 157 A HA 0.772 5.100 4.320 0.014 0.000 0.298 157 A C -0.443 177.126 177.584 -0.024 0.000 1.185 157 A CA -0.388 51.657 52.037 0.013 0.000 0.830 157 A CB 0.926 19.938 19.000 0.019 0.000 1.112 157 A HN 0.432 nan 8.150 nan 0.000 0.508 158 V N 4.041 123.946 119.914 -0.016 0.000 2.577 158 V HA 0.311 4.440 4.120 0.014 0.000 0.303 158 V C -0.283 175.803 176.094 -0.012 0.000 1.042 158 V CA -0.991 61.289 62.300 -0.033 0.000 0.872 158 V CB 1.659 33.457 31.823 -0.042 0.000 0.998 158 V HN 1.102 nan 8.190 nan 0.000 0.423 159 N N 2.746 121.440 118.700 -0.011 0.000 2.476 159 N HA 0.232 4.981 4.740 0.014 0.000 0.287 159 N C 0.720 176.238 175.510 0.012 0.000 1.262 159 N CA -0.555 52.498 53.050 0.006 0.000 0.980 159 N CB 0.754 39.246 38.487 0.008 0.000 1.163 159 N HN 0.500 nan 8.380 nan 0.000 0.592 160 E N -1.186 119.025 120.200 0.018 0.000 2.204 160 E HA -0.093 4.265 4.350 0.014 0.000 0.195 160 E C -0.005 176.610 176.600 0.026 0.000 0.990 160 E CA 1.116 57.526 56.400 0.016 0.000 0.821 160 E CB -0.141 29.570 29.700 0.018 0.000 0.750 160 E HN 0.519 nan 8.360 nan 0.000 0.477 161 D N -1.217 119.211 120.400 0.047 0.000 2.319 161 D HA 0.016 4.665 4.640 0.014 0.000 0.230 161 D C 0.136 176.532 176.300 0.161 0.000 1.094 161 D CA 0.151 54.202 54.000 0.085 0.000 0.856 161 D CB 0.006 40.858 40.800 0.086 0.000 0.915 161 D HN 0.137 nan 8.370 nan 0.000 0.517 162 C N 0.979 120.342 119.300 0.104 0.000 4.392 162 C HA -0.187 4.281 4.460 0.014 0.000 0.280 162 C C 0.647 175.667 174.990 0.051 0.000 1.381 162 C CA -0.069 59.015 59.018 0.109 0.000 1.871 162 C CB -2.279 25.593 27.740 0.220 0.000 1.323 162 C HN 0.389 nan 8.230 nan 0.000 0.772 163 E N -0.227 120.008 120.200 0.058 0.000 2.344 163 E HA 0.461 4.819 4.350 0.014 0.000 0.270 163 E C -0.071 176.457 176.600 -0.120 0.000 1.021 163 E CA 0.147 56.518 56.400 -0.049 0.000 0.887 163 E CB 0.757 30.468 29.700 0.019 0.000 0.997 163 E HN 0.569 nan 8.360 nan 0.000 0.429 164 L N 2.885 123.991 121.223 -0.194 0.000 2.381 164 L HA 0.510 4.858 4.340 0.014 0.000 0.268 164 L C -1.253 175.536 176.870 -0.136 0.000 0.997 164 L CA -0.593 54.146 54.840 -0.167 0.000 0.818 164 L CB 1.241 43.166 42.059 -0.223 0.000 1.310 164 L HN 0.382 nan 8.230 nan 0.000 0.416 165 K N 4.780 125.121 120.400 -0.099 0.000 2.371 165 K HA 0.548 4.876 4.320 0.014 0.000 0.251 165 K C -1.268 175.293 176.600 -0.065 0.000 0.934 165 K CA -0.630 55.609 56.287 -0.079 0.000 0.798 165 K CB 2.495 34.956 32.500 -0.063 0.000 1.204 165 K HN 0.493 nan 8.250 nan 0.000 0.427 166 I N 4.743 125.277 120.570 -0.059 0.000 2.428 166 I HA 0.221 4.400 4.170 0.014 0.000 0.289 166 I C -0.295 175.831 176.117 0.015 0.000 1.019 166 I CA -0.472 60.810 61.300 -0.030 0.000 1.351 166 I CB 0.374 38.355 38.000 -0.032 0.000 1.412 166 I HN 0.406 nan 8.210 nan 0.000 0.513 167 L N 3.350 124.609 121.223 0.060 0.000 2.332 167 L HA 0.787 5.135 4.340 0.014 0.000 0.242 167 L C -1.174 175.796 176.870 0.167 0.000 1.127 167 L CA -0.762 54.103 54.840 0.042 0.000 0.948 167 L CB 1.069 43.078 42.059 -0.084 0.000 1.553 167 L HN 0.298 nan 8.230 nan 0.000 0.419 168 D N -1.216 119.199 120.400 0.026 0.000 2.478 168 D HA 0.348 4.997 4.640 0.014 0.000 0.240 168 D C 0.133 176.441 176.300 0.013 0.000 1.364 168 D CA -0.429 53.619 54.000 0.080 0.000 0.987 168 D CB 0.915 41.668 40.800 -0.078 0.000 1.328 168 D HN 0.445 nan 8.370 nan 0.000 0.584 169 F N 2.577 122.539 119.950 0.020 0.000 2.065 169 F HA -0.024 4.512 4.527 0.015 0.000 0.298 169 F C 2.333 178.119 175.800 -0.024 0.000 1.112 169 F CA 2.383 60.384 58.000 0.001 0.000 1.212 169 F CB -0.157 38.850 39.000 0.011 0.000 0.975 169 F HN 0.694 nan 8.300 nan 0.000 0.476 170 G N -0.055 108.833 108.800 0.147 0.000 2.198 170 G HA2 -0.295 3.674 3.960 0.014 0.000 0.260 170 G HA3 -0.295 3.674 3.960 0.014 0.000 0.260 170 G C 0.823 175.764 174.900 0.068 0.000 1.025 170 G CA 0.489 45.595 45.100 0.009 0.000 0.769 170 G HN 0.430 nan 8.290 nan 0.000 0.507 171 L N -0.896 120.406 121.223 0.132 0.000 2.375 171 L HA 0.397 4.745 4.340 0.014 0.000 0.215 171 L C 1.877 178.809 176.870 0.103 0.000 1.108 171 L CA 0.918 55.846 54.840 0.147 0.000 0.830 171 L CB -0.210 41.925 42.059 0.126 0.000 0.959 171 L HN 0.518 nan 8.230 nan 0.000 0.457 172 A N -0.296 122.545 122.820 0.034 0.000 2.306 172 A HA 0.399 4.727 4.320 0.014 0.000 0.330 172 A C 0.982 178.522 177.584 -0.073 0.000 1.146 172 A CA -0.544 51.453 52.037 -0.067 0.000 0.827 172 A CB 0.755 19.734 19.000 -0.035 0.000 1.178 172 A HN 0.095 nan 8.150 nan 0.000 0.490 173 R N -0.191 120.235 120.500 -0.123 0.000 2.148 173 R HA -0.061 4.288 4.340 0.014 0.000 0.227 173 R C -0.422 175.924 176.300 0.077 0.000 1.103 173 R CA 1.151 57.247 56.100 -0.007 0.000 0.983 173 R CB -0.406 29.837 30.300 -0.096 0.000 0.874 173 R HN 0.972 nan 8.270 nan 0.000 0.451 174 H N 0.648 119.743 119.070 0.043 0.000 2.677 174 H HA -0.132 4.432 4.556 0.014 0.000 0.321 174 H C 0.176 175.517 175.328 0.021 0.000 1.171 174 H CA 0.027 56.090 56.048 0.026 0.000 1.139 174 H CB -1.419 28.364 29.762 0.034 0.000 1.515 174 H HN 0.391 nan 8.280 nan 0.000 0.423 175 T N -3.044 111.581 114.554 0.118 0.000 2.726 175 T HA -0.013 4.346 4.350 0.014 0.000 0.294 175 T C 1.366 176.100 174.700 0.056 0.000 1.013 175 T CA -0.261 61.879 62.100 0.066 0.000 0.996 175 T CB 1.132 70.019 68.868 0.031 0.000 1.016 175 T HN 0.143 nan 8.240 nan 0.000 0.529 176 D N 0.329 120.751 120.400 0.038 0.000 2.116 176 D HA -0.135 4.513 4.640 0.014 0.000 0.193 176 D C 1.740 178.062 176.300 0.036 0.000 0.998 176 D CA 1.826 55.845 54.000 0.031 0.000 0.836 176 D CB -0.586 40.215 40.800 0.003 0.000 0.951 176 D HN 0.868 nan 8.370 nan 0.000 0.449 177 D N 0.586 120.999 120.400 0.022 0.000 2.116 177 D HA -0.187 4.462 4.640 0.014 0.000 0.193 177 D C 1.814 178.123 176.300 0.015 0.000 0.998 177 D CA 1.313 55.323 54.000 0.017 0.000 0.836 177 D CB -0.005 40.799 40.800 0.006 0.000 0.951 177 D HN 0.101 nan 8.370 nan 0.000 0.449 178 E N -1.346 118.864 120.200 0.016 0.000 2.160 178 E HA -0.126 4.233 4.350 0.014 0.000 0.195 178 E C 1.414 177.993 176.600 -0.035 0.000 0.991 178 E CA 0.841 57.243 56.400 0.005 0.000 0.810 178 E CB 0.067 29.798 29.700 0.052 0.000 0.742 178 E HN 0.335 nan 8.360 nan 0.000 0.466 179 M N 0.283 119.875 119.600 -0.013 0.000 2.494 179 M HA 0.080 4.569 4.480 0.014 0.000 0.232 179 M C 0.057 176.368 176.300 0.018 0.000 1.137 179 M CA 0.537 55.809 55.300 -0.047 0.000 1.012 179 M CB -0.007 32.601 32.600 0.014 0.000 1.567 179 M HN -0.196 nan 8.290 nan 0.000 0.486 180 T N 0.879 115.463 114.554 0.050 0.000 2.806 180 T HA 0.589 4.947 4.350 0.014 0.000 0.290 180 T C 0.786 175.519 174.700 0.054 0.000 0.966 180 T CA 0.529 62.688 62.100 0.100 0.000 1.060 180 T CB 1.463 70.374 68.868 0.071 0.000 0.927 180 T HN 0.649 nan 8.240 nan 0.000 0.485 181 G N 2.343 111.203 108.800 0.101 0.000 2.484 181 G HA2 -0.231 3.738 3.960 0.014 0.000 0.225 181 G HA3 -0.231 3.738 3.960 0.014 0.000 0.225 181 G C -0.754 174.256 174.900 0.184 0.000 1.250 181 G CA -0.508 44.674 45.100 0.135 0.000 0.926 181 G HN 0.738 nan 8.290 nan 0.000 0.581 182 Y N 1.825 122.184 120.300 0.099 0.000 2.724 182 Y HA 0.503 5.061 4.550 0.015 0.000 0.332 182 Y C 0.730 176.658 175.900 0.047 0.000 1.276 182 Y CA -0.058 58.190 58.100 0.247 0.000 1.597 182 Y CB -0.054 38.560 38.460 0.257 0.000 1.584 182 Y HN 1.049 nan 8.280 nan 0.000 0.478 183 V N 1.080 120.657 119.914 -0.562 0.000 2.686 183 V HA 0.723 4.852 4.120 0.014 0.000 0.306 183 V C 0.616 175.594 176.094 -1.860 0.000 1.065 183 V CA -0.378 61.340 62.300 -0.970 0.000 0.894 183 V CB 1.080 32.630 31.823 -0.456 0.000 1.004 183 V HN 0.495 nan 8.190 nan 0.000 0.424 184 A N 2.715 124.491 122.820 -1.740 0.000 2.125 184 A HA -0.066 4.263 4.320 0.014 0.000 0.219 184 A C 2.065 179.398 177.584 -0.417 0.000 1.156 184 A CA 2.232 53.617 52.037 -1.088 0.000 0.671 184 A CB -0.858 17.917 19.000 -0.375 0.000 0.794 184 A HN 1.548 nan 8.150 nan 0.000 0.459 185 T N -3.174 111.129 114.554 -0.417 0.000 2.977 185 T HA -0.091 4.268 4.350 0.014 0.000 0.271 185 T C 1.729 176.277 174.700 -0.252 0.000 1.105 185 T CA 1.417 63.370 62.100 -0.246 0.000 1.116 185 T CB -0.145 68.590 68.868 -0.221 0.000 0.878 185 T HN 0.532 nan 8.240 nan 0.000 0.509 186 R N -1.524 118.768 120.500 -0.346 0.000 2.316 186 R HA 0.176 4.524 4.340 0.014 0.000 0.201 186 R C 1.424 177.684 176.300 -0.067 0.000 0.888 186 R CA -0.144 55.806 56.100 -0.250 0.000 1.041 186 R CB 0.192 30.291 30.300 -0.335 0.000 1.115 186 R HN 0.364 nan 8.270 nan 0.000 0.559 187 W N 0.146 121.354 121.300 -0.153 0.000 2.465 187 W HA -0.082 4.586 4.660 0.014 0.000 0.268 187 W C 0.732 177.050 176.519 -0.336 0.000 1.242 187 W CA 0.576 57.745 57.345 -0.292 0.000 1.248 187 W CB -0.547 28.613 29.460 -0.500 0.000 1.118 187 W HN 0.146 nan 8.180 nan 0.000 0.587 188 Y N -0.255 120.197 120.300 0.253 0.000 2.457 188 Y HA 0.218 4.777 4.550 0.014 0.000 0.263 188 Y C 1.198 177.248 175.900 0.249 0.000 1.164 188 Y CA -0.211 58.031 58.100 0.237 0.000 1.274 188 Y CB -0.326 38.211 38.460 0.128 0.000 1.097 188 Y HN -0.387 nan 8.280 nan 0.000 0.523 189 R N 1.321 121.957 120.500 0.227 0.000 2.390 189 R HA 0.493 4.841 4.340 0.014 0.000 0.291 189 R C 0.304 176.561 176.300 -0.073 0.000 1.070 189 R CA -0.332 55.802 56.100 0.058 0.000 1.014 189 R CB 0.853 31.091 30.300 -0.103 0.000 1.007 189 R HN 0.149 nan 8.270 nan 0.000 0.466 190 A N 5.214 127.890 122.820 -0.241 0.000 2.531 190 A HA 0.098 4.426 4.320 0.014 0.000 0.236 190 A C -1.264 175.835 177.584 -0.809 0.000 1.062 190 A CA -1.008 50.541 52.037 -0.814 0.000 0.760 190 A CB -0.001 18.736 19.000 -0.439 0.000 0.995 190 A HN 0.518 nan 8.150 nan 0.000 0.501 191 P HA -0.197 nan 4.420 nan 0.000 0.218 191 P C 1.148 177.688 177.300 -1.267 0.000 1.149 191 P CA 1.545 64.001 63.100 -1.073 0.000 0.817 191 P CB 0.053 31.062 31.700 -1.150 0.000 0.785 192 E N 0.233 119.858 120.200 -0.958 0.000 2.204 192 E HA -0.141 4.218 4.350 0.014 0.000 0.194 192 E C 2.075 178.452 176.600 -0.372 0.000 0.989 192 E CA 0.785 56.847 56.400 -0.563 0.000 0.824 192 E CB -1.050 28.637 29.700 -0.020 0.000 0.756 192 E HN 0.308 nan 8.360 nan 0.000 0.477 193 I N -0.082 120.235 120.570 -0.421 0.000 2.494 193 I HA -0.075 4.103 4.170 0.014 0.000 0.250 193 I C 2.744 178.679 176.117 -0.303 0.000 1.112 193 I CA 0.400 61.474 61.300 -0.377 0.000 1.438 193 I CB -0.005 37.657 38.000 -0.563 0.000 1.111 193 I HN 0.034 nan 8.210 nan 0.000 0.431 194 M N 0.403 119.786 119.600 -0.361 0.000 2.144 194 M HA -0.210 4.279 4.480 0.014 0.000 0.260 194 M C 1.173 177.373 176.300 -0.168 0.000 1.067 194 M CA 1.971 57.111 55.300 -0.267 0.000 1.095 194 M CB 0.046 32.446 32.600 -0.332 0.000 1.365 194 M HN 0.261 nan 8.290 nan 0.000 0.406 195 L N -0.262 120.756 121.223 -0.343 0.000 2.857 195 L HA 0.195 4.544 4.340 0.014 0.000 0.249 195 L C -0.082 176.741 176.870 -0.078 0.000 1.172 195 L CA -0.426 54.288 54.840 -0.211 0.000 0.980 195 L CB -0.063 41.815 42.059 -0.302 0.000 1.299 195 L HN 0.291 nan 8.230 nan 0.000 0.535 196 N N 0.097 118.744 118.700 -0.089 0.000 2.688 196 N HA -0.239 4.509 4.740 0.014 0.000 0.258 196 N C 0.383 175.999 175.510 0.176 0.000 1.016 196 N CA 0.596 53.672 53.050 0.044 0.000 0.747 196 N CB -0.882 37.633 38.487 0.047 0.000 0.895 196 N HN 0.452 nan 8.380 nan 0.000 0.543 197 W N 0.003 121.298 121.300 -0.009 0.000 2.436 197 W HA 0.134 4.802 4.660 0.014 0.000 0.284 197 W C 1.700 178.200 176.519 -0.031 0.000 1.225 197 W CA 0.752 58.085 57.345 -0.019 0.000 1.271 197 W CB -0.110 29.335 29.460 -0.026 0.000 1.114 197 W HN 0.447 nan 8.180 nan 0.000 0.559 198 M N -3.353 116.371 119.600 0.205 0.000 3.069 198 M HA 0.280 4.768 4.480 0.014 0.000 0.274 198 M C -1.439 174.881 176.300 0.034 0.000 1.146 198 M CA -0.862 54.485 55.300 0.079 0.000 0.807 198 M CB 1.631 34.316 32.600 0.140 0.000 1.621 198 M HN -0.227 nan 8.290 nan 0.000 0.521 199 H N 1.349 120.446 119.070 0.046 0.000 2.848 199 H HA 0.389 4.954 4.556 0.015 0.000 0.317 199 H C -1.213 174.089 175.328 -0.045 0.000 1.046 199 H CA 0.497 56.501 56.048 -0.074 0.000 1.470 199 H CB 0.316 30.010 29.762 -0.113 0.000 1.483 199 H HN 0.501 nan 8.280 nan 0.000 0.548 200 Y N 1.668 122.056 120.300 0.147 0.000 2.519 200 Y HA 0.419 4.978 4.550 0.014 0.000 0.324 200 Y C -0.101 175.831 175.900 0.053 0.000 1.214 200 Y CA -1.448 56.698 58.100 0.076 0.000 1.260 200 Y CB 0.731 39.214 38.460 0.039 0.000 1.311 200 Y HN 0.703 nan 8.280 nan 0.000 0.505 201 N N -1.278 117.579 118.700 0.262 0.000 3.379 201 N HA 0.174 4.922 4.740 0.014 0.000 0.350 201 N C 0.218 175.800 175.510 0.120 0.000 1.553 201 N CA -0.564 52.562 53.050 0.126 0.000 0.712 201 N CB 0.323 38.838 38.487 0.046 0.000 1.880 201 N HN 0.745 nan 8.380 nan 0.000 0.648 202 Q N -1.120 118.656 119.800 -0.040 0.000 2.435 202 Q HA -0.038 4.310 4.340 0.014 0.000 0.207 202 Q C 0.368 176.291 176.000 -0.129 0.000 0.956 202 Q CA 1.511 57.176 55.803 -0.230 0.000 0.917 202 Q CB -0.638 27.706 28.738 -0.657 0.000 0.997 202 Q HN 0.780 nan 8.270 nan 0.000 0.497 203 T N -0.492 114.068 114.554 0.009 0.000 2.977 203 T HA -0.101 4.258 4.350 0.014 0.000 0.271 203 T C 1.971 176.770 174.700 0.166 0.000 1.105 203 T CA 1.053 63.219 62.100 0.110 0.000 1.116 203 T CB -0.730 68.208 68.868 0.117 0.000 0.878 203 T HN 0.334 nan 8.240 nan 0.000 0.509 204 V N 0.735 120.729 119.914 0.133 0.000 2.380 204 V HA -0.211 3.917 4.120 0.014 0.000 0.251 204 V C 2.020 178.227 176.094 0.189 0.000 1.063 204 V CA 2.098 64.464 62.300 0.111 0.000 1.055 204 V CB -0.824 30.985 31.823 -0.022 0.000 0.657 204 V HN 0.257 nan 8.190 nan 0.000 0.455 205 D N 0.270 120.801 120.400 0.218 0.000 2.224 205 D HA 0.006 4.655 4.640 0.014 0.000 0.205 205 D C 2.173 178.600 176.300 0.211 0.000 0.965 205 D CA 1.090 55.227 54.000 0.228 0.000 0.852 205 D CB -0.037 40.956 40.800 0.322 0.000 0.947 205 D HN 0.427 nan 8.370 nan 0.000 0.494 206 I N 0.383 121.098 120.570 0.243 0.000 2.315 206 I HA -0.202 3.976 4.170 0.014 0.000 0.248 206 I C 2.350 178.593 176.117 0.209 0.000 1.117 206 I CA 0.656 62.074 61.300 0.197 0.000 1.404 206 I CB -0.966 37.150 38.000 0.194 0.000 1.071 206 I HN 0.268 nan 8.210 nan 0.000 0.419 207 W N 2.084 123.443 121.300 0.098 0.000 2.335 207 W HA -0.240 4.428 4.660 0.013 0.000 0.311 207 W C 2.516 179.114 176.519 0.132 0.000 1.213 207 W CA 1.854 59.267 57.345 0.114 0.000 1.274 207 W CB -0.260 29.253 29.460 0.088 0.000 1.148 207 W HN 0.097 nan 8.180 nan 0.000 0.498 208 S N 0.746 116.653 115.700 0.345 0.000 2.368 208 S HA -0.195 4.283 4.470 0.014 0.000 0.225 208 S C 1.845 176.516 174.600 0.119 0.000 1.030 208 S CA 1.767 60.124 58.200 0.261 0.000 0.999 208 S CB -0.776 62.544 63.200 0.200 0.000 0.844 208 S HN 0.134 nan 8.310 nan 0.000 0.459 209 V N 1.788 121.740 119.914 0.064 0.000 2.332 209 V HA -0.172 3.956 4.120 0.014 0.000 0.248 209 V C 2.661 178.740 176.094 -0.024 0.000 1.055 209 V CA 1.941 64.248 62.300 0.011 0.000 1.038 209 V CB -1.626 30.201 31.823 0.008 0.000 0.651 209 V HN 0.586 nan 8.190 nan 0.000 0.450 210 G N -1.077 107.676 108.800 -0.077 0.000 2.440 210 G HA2 -0.291 3.678 3.960 0.014 0.000 0.218 210 G HA3 -0.291 3.678 3.960 0.014 0.000 0.218 210 G C 1.726 176.507 174.900 -0.198 0.000 1.154 210 G CA 1.416 46.412 45.100 -0.174 0.000 0.767 210 G HN 0.544 nan 8.290 nan 0.000 0.552 211 C N 0.192 119.394 119.300 -0.163 0.000 2.429 211 C HA 0.075 4.544 4.460 0.014 0.000 0.277 211 C C 2.853 177.872 174.990 0.048 0.000 1.262 211 C CA 0.469 59.430 59.018 -0.095 0.000 1.733 211 C CB -0.954 26.831 27.740 0.076 0.000 2.010 211 C HN 0.477 nan 8.230 nan 0.000 0.483 212 I N 0.369 121.011 120.570 0.120 0.000 2.202 212 I HA -0.260 3.919 4.170 0.014 0.000 0.242 212 I C 2.649 178.775 176.117 0.016 0.000 1.091 212 I CA 1.651 63.009 61.300 0.097 0.000 1.368 212 I CB -0.455 37.554 38.000 0.014 0.000 1.058 212 I HN 0.353 nan 8.210 nan 0.000 0.410 213 M N 0.788 120.370 119.600 -0.030 0.000 2.117 213 M HA -0.219 4.270 4.480 0.014 0.000 0.262 213 M C 2.448 178.669 176.300 -0.131 0.000 1.065 213 M CA 2.177 57.444 55.300 -0.056 0.000 1.114 213 M CB -0.142 32.413 32.600 -0.075 0.000 1.361 213 M HN 0.262 nan 8.290 nan 0.000 0.408 214 A N 0.256 122.950 122.820 -0.209 0.000 1.892 214 A HA -0.290 4.039 4.320 0.014 0.000 0.218 214 A C 1.959 179.499 177.584 -0.073 0.000 1.188 214 A CA 2.293 54.176 52.037 -0.256 0.000 0.631 214 A CB -1.086 17.780 19.000 -0.223 0.000 0.822 214 A HN 0.755 nan 8.150 nan 0.000 0.447 215 E N -0.183 119.996 120.200 -0.035 0.000 2.106 215 E HA -0.129 4.230 4.350 0.014 0.000 0.192 215 E C 1.890 178.505 176.600 0.025 0.000 0.984 215 E CA 0.934 57.340 56.400 0.010 0.000 0.806 215 E CB -0.237 29.504 29.700 0.068 0.000 0.750 215 E HN 0.635 nan 8.360 nan 0.000 0.458 216 L N 0.531 121.769 121.223 0.024 0.000 2.131 216 L HA -0.176 4.173 4.340 0.014 0.000 0.210 216 L C 2.490 179.386 176.870 0.042 0.000 1.092 216 L CA 0.759 55.623 54.840 0.039 0.000 0.759 216 L CB -0.330 41.760 42.059 0.051 0.000 0.903 216 L HN 0.282 nan 8.230 nan 0.000 0.435 217 L N -0.637 120.594 121.223 0.014 0.000 2.131 217 L HA -0.120 4.228 4.340 0.014 0.000 0.206 217 L C 2.625 179.528 176.870 0.055 0.000 1.087 217 L CA 1.758 56.612 54.840 0.022 0.000 0.767 217 L CB -0.514 41.513 42.059 -0.054 0.000 0.917 217 L HN 0.422 nan 8.230 nan 0.000 0.441 218 T N -4.909 109.681 114.554 0.060 0.000 3.014 218 T HA 0.209 4.567 4.350 0.014 0.000 0.250 218 T C 1.504 176.221 174.700 0.028 0.000 1.060 218 T CA 0.508 62.641 62.100 0.056 0.000 1.040 218 T CB 0.665 69.568 68.868 0.059 0.000 0.971 218 T HN 0.389 nan 8.240 nan 0.000 0.497 219 G N 1.962 110.779 108.800 0.028 0.000 2.162 219 G HA2 -0.218 3.751 3.960 0.014 0.000 0.260 219 G HA3 -0.218 3.751 3.960 0.014 0.000 0.260 219 G C 0.050 174.955 174.900 0.009 0.000 0.976 219 G CA -0.010 45.104 45.100 0.024 0.000 0.655 219 G HN 0.667 nan 8.290 nan 0.000 0.533 220 R N 0.097 120.590 120.500 -0.011 0.000 2.750 220 R HA 0.534 4.882 4.340 0.014 0.000 0.281 220 R C -0.021 176.223 176.300 -0.092 0.000 0.972 220 R CA -0.438 55.632 56.100 -0.051 0.000 0.912 220 R CB 0.765 31.019 30.300 -0.075 0.000 1.187 220 R HN 0.146 nan 8.270 nan 0.000 0.464 221 T N 2.771 117.234 114.554 -0.152 0.000 2.908 221 T HA -0.033 4.325 4.350 0.014 0.000 0.301 221 T C 1.611 176.104 174.700 -0.344 0.000 1.019 221 T CA -0.156 61.785 62.100 -0.264 0.000 1.152 221 T CB 0.484 69.039 68.868 -0.522 0.000 0.966 221 T HN 0.345 nan 8.240 nan 0.000 0.540 222 L N 2.761 123.742 121.223 -0.404 0.000 2.005 222 L HA 0.220 4.568 4.340 0.014 0.000 0.207 222 L C 0.558 176.990 176.870 -0.730 0.000 1.072 222 L CA 1.687 56.149 54.840 -0.630 0.000 0.744 222 L CB -0.257 41.295 42.059 -0.845 0.000 0.895 222 L HN 0.726 nan 8.230 nan 0.000 0.433 223 F N 0.962 120.740 119.950 -0.286 0.000 2.531 223 F HA 0.354 4.889 4.527 0.014 0.000 0.333 223 F C -1.995 173.504 175.800 -0.503 0.000 1.292 223 F CA -1.595 56.254 58.000 -0.252 0.000 1.184 223 F CB 0.534 39.490 39.000 -0.073 0.000 1.426 223 F HN 0.035 nan 8.300 nan 0.000 0.559 224 P HA 0.109 nan 4.420 nan 0.000 0.225 224 P C 0.559 177.581 177.300 -0.464 0.000 1.813 224 P CA 0.260 62.547 63.100 -1.354 0.000 1.013 224 P CB 0.244 31.258 31.700 -1.142 0.000 1.961 225 G N 1.312 110.048 108.800 -0.105 0.000 2.491 225 G HA2 0.186 4.155 3.960 0.014 0.000 0.242 225 G HA3 0.186 4.155 3.960 0.014 0.000 0.242 225 G C 1.157 176.302 174.900 0.408 0.000 1.266 225 G CA -0.180 45.025 45.100 0.176 0.000 0.844 225 G HN 0.328 nan 8.290 nan 0.000 0.571 226 T N -1.937 112.830 114.554 0.355 0.000 3.113 226 T HA 0.210 4.568 4.350 0.014 0.000 0.256 226 T C 0.355 175.214 174.700 0.265 0.000 1.131 226 T CA 0.754 63.086 62.100 0.387 0.000 1.074 226 T CB -0.376 68.617 68.868 0.209 0.000 0.944 226 T HN 0.798 nan 8.240 nan 0.000 0.516 227 D N -2.217 118.309 120.400 0.211 0.000 2.769 227 D HA 0.146 4.794 4.640 0.014 0.000 0.309 227 D C 0.393 176.786 176.300 0.156 0.000 1.315 227 D CA -0.910 53.199 54.000 0.183 0.000 0.780 227 D CB 0.008 40.906 40.800 0.163 0.000 1.312 227 D HN -0.035 nan 8.370 nan 0.000 0.437 228 H N -0.586 118.500 119.070 0.027 0.000 2.353 228 H HA -0.100 4.465 4.556 0.014 0.000 0.298 228 H C 1.371 176.703 175.328 0.007 0.000 1.103 228 H CA 1.426 57.471 56.048 -0.005 0.000 1.293 228 H CB 0.113 29.850 29.762 -0.042 0.000 1.372 228 H HN 0.305 nan 8.280 nan 0.000 0.501 229 I N 0.751 121.411 120.570 0.150 0.000 2.333 229 I HA -0.167 4.011 4.170 0.014 0.000 0.246 229 I C 2.297 178.484 176.117 0.117 0.000 1.106 229 I CA 1.040 62.407 61.300 0.112 0.000 1.411 229 I CB -1.014 37.017 38.000 0.051 0.000 1.082 229 I HN 0.186 nan 8.210 nan 0.000 0.420 230 D N 0.566 121.030 120.400 0.108 0.000 2.123 230 D HA -0.269 4.379 4.640 0.014 0.000 0.196 230 D C 2.241 178.593 176.300 0.087 0.000 0.992 230 D CA 1.425 55.484 54.000 0.100 0.000 0.833 230 D CB 0.059 40.924 40.800 0.110 0.000 0.954 230 D HN 0.322 nan 8.370 nan 0.000 0.455 231 Q N -0.762 119.087 119.800 0.081 0.000 2.079 231 Q HA -0.137 4.211 4.340 0.014 0.000 0.200 231 Q C 2.207 178.191 176.000 -0.026 0.000 0.974 231 Q CA 0.989 56.818 55.803 0.044 0.000 0.840 231 Q CB -0.226 28.533 28.738 0.036 0.000 0.898 231 Q HN 0.370 nan 8.270 nan 0.000 0.430 232 L N 1.190 122.412 121.223 -0.002 0.000 2.043 232 L HA -0.229 4.120 4.340 0.014 0.000 0.212 232 L C 1.853 178.739 176.870 0.026 0.000 1.075 232 L CA 1.962 56.803 54.840 0.002 0.000 0.752 232 L CB -0.273 41.855 42.059 0.116 0.000 0.891 232 L HN 0.088 nan 8.230 nan 0.000 0.432 233 K N -0.796 119.643 120.400 0.065 0.000 2.057 233 K HA -0.110 4.219 4.320 0.014 0.000 0.206 233 K C 2.067 178.697 176.600 0.050 0.000 1.050 233 K CA 1.588 57.915 56.287 0.066 0.000 0.935 233 K CB -0.323 32.225 32.500 0.080 0.000 0.715 233 K HN 0.347 nan 8.250 nan 0.000 0.439 234 L N 0.854 122.108 121.223 0.051 0.000 2.042 234 L HA -0.208 4.141 4.340 0.014 0.000 0.210 234 L C 2.374 179.298 176.870 0.089 0.000 1.076 234 L CA 1.224 56.127 54.840 0.105 0.000 0.749 234 L CB -0.512 41.657 42.059 0.182 0.000 0.893 234 L HN 0.156 nan 8.230 nan 0.000 0.432 235 I N -0.227 120.228 120.570 -0.192 0.000 2.142 235 I HA -0.322 3.856 4.170 0.014 0.000 0.240 235 I C 2.408 178.524 176.117 -0.003 0.000 1.078 235 I CA 1.518 62.561 61.300 -0.429 0.000 1.343 235 I CB -0.258 37.432 38.000 -0.517 0.000 1.046 235 I HN 0.203 nan 8.210 nan 0.000 0.405 236 L N -0.024 121.217 121.223 0.030 0.000 2.201 236 L HA -0.167 4.181 4.340 0.014 0.000 0.212 236 L C 2.697 179.625 176.870 0.096 0.000 1.105 236 L CA 0.923 55.816 54.840 0.087 0.000 0.775 236 L CB -0.622 41.481 42.059 0.074 0.000 0.913 236 L HN 0.239 nan 8.230 nan 0.000 0.440 237 R N 0.463 121.013 120.500 0.083 0.000 2.091 237 R HA -0.224 4.125 4.340 0.014 0.000 0.238 237 R C 2.304 178.662 176.300 0.096 0.000 1.136 237 R CA 1.652 57.797 56.100 0.076 0.000 0.959 237 R CB -0.168 30.166 30.300 0.058 0.000 0.856 237 R HN 0.216 nan 8.270 nan 0.000 0.437 238 L N 0.140 121.448 121.223 0.141 0.000 2.068 238 L HA -0.060 4.289 4.340 0.014 0.000 0.204 238 L C 1.921 178.947 176.870 0.260 0.000 1.076 238 L CA 1.497 56.417 54.840 0.134 0.000 0.753 238 L CB 0.045 42.194 42.059 0.150 0.000 0.910 238 L HN 0.157 nan 8.230 nan 0.000 0.439 239 V N -2.499 117.597 119.914 0.304 0.000 3.621 239 V HA 0.607 4.735 4.120 0.014 0.000 0.285 239 V C 0.832 177.072 176.094 0.243 0.000 1.346 239 V CA 0.108 62.628 62.300 0.367 0.000 1.104 239 V CB -1.031 31.063 31.823 0.452 0.000 0.913 239 V HN 0.637 nan 8.190 nan 0.000 0.432 240 G N 1.123 110.030 108.800 0.178 0.000 2.692 240 G HA2 -0.022 3.946 3.960 0.014 0.000 0.686 240 G HA3 -0.022 3.946 3.960 0.014 0.000 0.686 240 G C -0.273 174.686 174.900 0.100 0.000 1.243 240 G CA -0.324 44.849 45.100 0.121 0.000 0.782 240 G HN 1.288 nan 8.290 nan 0.000 0.625 241 T N 0.834 115.424 114.554 0.059 0.000 2.898 241 T HA 0.606 4.964 4.350 0.014 0.000 0.301 241 T C -1.703 173.007 174.700 0.017 0.000 1.049 241 T CA -0.527 61.590 62.100 0.029 0.000 1.095 241 T CB 1.298 70.162 68.868 -0.007 0.000 0.976 241 T HN 0.657 nan 8.240 nan 0.000 0.539 242 P HA 0.310 nan 4.420 nan 0.000 0.271 242 P C 0.508 177.781 177.300 -0.046 0.000 1.216 242 P CA -0.214 62.862 63.100 -0.040 0.000 0.776 242 P CB 0.348 31.967 31.700 -0.135 0.000 0.881 243 G N 0.723 109.506 108.800 -0.029 0.000 2.543 243 G HA2 0.386 4.354 3.960 0.014 0.000 0.290 243 G HA3 0.386 4.354 3.960 0.014 0.000 0.290 243 G C 1.128 176.000 174.900 -0.047 0.000 1.310 243 G CA -0.074 45.009 45.100 -0.029 0.000 1.025 243 G HN 0.463 nan 8.290 nan 0.000 0.502 244 A N -0.780 122.017 122.820 -0.039 0.000 1.873 244 A HA -0.132 4.196 4.320 0.014 0.000 0.218 244 A C 2.065 179.623 177.584 -0.044 0.000 1.193 244 A CA 2.315 54.326 52.037 -0.043 0.000 0.629 244 A CB -0.835 18.146 19.000 -0.030 0.000 0.826 244 A HN 0.759 nan 8.150 nan 0.000 0.447 245 E N -1.134 119.049 120.200 -0.029 0.000 2.065 245 E HA -0.244 4.114 4.350 0.014 0.000 0.201 245 E C 1.962 178.543 176.600 -0.032 0.000 1.016 245 E CA 1.586 57.973 56.400 -0.022 0.000 0.818 245 E CB -0.238 29.458 29.700 -0.006 0.000 0.749 245 E HN 0.501 nan 8.360 nan 0.000 0.453 246 L N 0.762 121.961 121.223 -0.040 0.000 2.109 246 L HA -0.112 4.236 4.340 0.014 0.000 0.207 246 L C 2.087 178.883 176.870 -0.124 0.000 1.086 246 L CA 1.303 56.108 54.840 -0.059 0.000 0.760 246 L CB -0.351 41.681 42.059 -0.046 0.000 0.910 246 L HN 0.136 nan 8.230 nan 0.000 0.437 247 L N -0.028 121.111 121.223 -0.141 0.000 2.043 247 L HA -0.274 4.075 4.340 0.014 0.000 0.212 247 L C 2.579 179.360 176.870 -0.147 0.000 1.075 247 L CA 2.128 56.858 54.840 -0.184 0.000 0.752 247 L CB -0.645 41.323 42.059 -0.151 0.000 0.891 247 L HN 0.396 nan 8.230 nan 0.000 0.432 248 K N -0.135 120.209 120.400 -0.094 0.000 2.288 248 K HA -0.126 4.202 4.320 0.014 0.000 0.201 248 K C 1.598 178.164 176.600 -0.057 0.000 1.048 248 K CA 0.924 57.170 56.287 -0.068 0.000 0.956 248 K CB -0.187 32.286 32.500 -0.044 0.000 0.746 248 K HN 0.292 nan 8.250 nan 0.000 0.461 249 K N 1.002 121.368 120.400 -0.058 0.000 2.459 249 K HA 0.127 4.455 4.320 0.014 0.000 0.193 249 K C 0.355 176.933 176.600 -0.038 0.000 1.030 249 K CA 0.260 56.531 56.287 -0.027 0.000 1.026 249 K CB 0.074 32.574 32.500 0.000 0.000 0.809 249 K HN 0.176 nan 8.250 nan 0.000 0.504 250 I N 2.819 123.321 120.570 -0.114 0.000 2.311 250 I HA -0.059 4.119 4.170 0.014 0.000 0.297 250 I C 1.277 177.340 176.117 -0.090 0.000 1.131 250 I CA -0.176 61.034 61.300 -0.149 0.000 1.289 250 I CB 0.792 38.542 38.000 -0.416 0.000 1.446 250 I HN 0.107 nan 8.210 nan 0.000 0.524 251 S N 2.189 117.870 115.700 -0.033 0.000 2.461 251 S HA -0.081 4.397 4.470 0.014 0.000 0.228 251 S C 1.185 175.771 174.600 -0.023 0.000 1.005 251 S CA -0.114 58.071 58.200 -0.026 0.000 0.942 251 S CB -0.051 63.139 63.200 -0.017 0.000 0.776 251 S HN 0.608 nan 8.310 nan 0.000 0.514 252 S N 1.705 117.400 115.700 -0.009 0.000 2.429 252 S HA 0.143 4.622 4.470 0.014 0.000 0.292 252 S C 0.907 175.501 174.600 -0.010 0.000 1.183 252 S CA -0.518 57.686 58.200 0.008 0.000 1.088 252 S CB 0.385 63.621 63.200 0.061 0.000 1.018 252 S HN 0.531 nan 8.310 nan 0.000 0.511 253 E N 3.707 123.900 120.200 -0.011 0.000 2.153 253 E HA -0.123 4.235 4.350 0.014 0.000 0.194 253 E C 1.827 178.424 176.600 -0.004 0.000 0.988 253 E CA 1.104 57.493 56.400 -0.018 0.000 0.811 253 E CB -0.192 29.501 29.700 -0.013 0.000 0.746 253 E HN 0.767 nan 8.360 nan 0.000 0.466 254 S N -0.515 115.194 115.700 0.016 0.000 2.368 254 S HA -0.142 4.336 4.470 0.014 0.000 0.225 254 S C 1.905 176.547 174.600 0.071 0.000 1.030 254 S CA 1.140 59.361 58.200 0.037 0.000 0.999 254 S CB -0.154 63.066 63.200 0.033 0.000 0.844 254 S HN 0.447 nan 8.310 nan 0.000 0.459 255 A N 1.145 124.011 122.820 0.077 0.000 1.930 255 A HA -0.015 4.314 4.320 0.014 0.000 0.217 255 A C 2.110 179.700 177.584 0.012 0.000 1.175 255 A CA 1.396 53.513 52.037 0.135 0.000 0.627 255 A CB -0.554 18.582 19.000 0.227 0.000 0.815 255 A HN 0.526 nan 8.150 nan 0.000 0.443 256 R N -0.243 120.204 120.500 -0.089 0.000 2.073 256 R HA -0.199 4.149 4.340 0.014 0.000 0.234 256 R C 2.182 178.423 176.300 -0.097 0.000 1.134 256 R CA 1.892 57.895 56.100 -0.161 0.000 0.952 256 R CB -0.355 29.862 30.300 -0.139 0.000 0.850 256 R HN 0.679 nan 8.270 nan 0.000 0.433 257 N N -0.630 118.052 118.700 -0.029 0.000 2.142 257 N HA -0.243 4.505 4.740 0.014 0.000 0.186 257 N C 1.739 177.259 175.510 0.016 0.000 1.023 257 N CA 1.364 54.408 53.050 -0.009 0.000 0.852 257 N CB -0.300 38.196 38.487 0.016 0.000 0.998 257 N HN 0.267 nan 8.380 nan 0.000 0.424 258 Y N 1.037 121.323 120.300 -0.023 0.000 2.097 258 Y HA -0.129 4.429 4.550 0.014 0.000 0.282 258 Y C 2.136 178.030 175.900 -0.009 0.000 1.152 258 Y CA 1.627 59.726 58.100 -0.002 0.000 1.136 258 Y CB -0.703 37.774 38.460 0.029 0.000 0.975 258 Y HN 0.242 nan 8.280 nan 0.000 0.498 259 I N 0.201 120.597 120.570 -0.289 0.000 2.361 259 I HA -0.325 3.854 4.170 0.014 0.000 0.251 259 I C 1.942 177.869 176.117 -0.316 0.000 1.133 259 I CA 1.544 62.614 61.300 -0.384 0.000 1.413 259 I CB -0.275 37.594 38.000 -0.218 0.000 1.073 259 I HN 0.413 nan 8.210 nan 0.000 0.424 260 Q N -0.066 119.599 119.800 -0.226 0.000 2.364 260 Q HA -0.154 4.195 4.340 0.014 0.000 0.207 260 Q C 2.149 178.057 176.000 -0.155 0.000 0.970 260 Q CA 1.476 57.181 55.803 -0.163 0.000 0.888 260 Q CB -0.167 28.502 28.738 -0.115 0.000 0.951 260 Q HN 0.627 nan 8.270 nan 0.000 0.469 261 S N -0.042 115.534 115.700 -0.206 0.000 2.481 261 S HA -0.007 4.471 4.470 0.014 0.000 0.231 261 S C 0.838 175.338 174.600 -0.167 0.000 0.996 261 S CA -0.027 58.079 58.200 -0.157 0.000 0.942 261 S CB -0.142 62.989 63.200 -0.115 0.000 0.768 261 S HN 0.199 nan 8.310 nan 0.000 0.520 262 L N 2.428 123.509 121.223 -0.236 0.000 2.380 262 L HA 0.247 4.595 4.340 0.014 0.000 0.273 262 L C 0.332 177.145 176.870 -0.094 0.000 1.138 262 L CA -0.470 54.266 54.840 -0.173 0.000 0.832 262 L CB 0.657 42.592 42.059 -0.207 0.000 1.124 262 L HN 0.069 nan 8.230 nan 0.000 0.454 263 T N 3.625 118.146 114.554 -0.055 0.000 2.829 263 T HA -0.000 4.358 4.350 0.014 0.000 0.293 263 T C 0.243 174.927 174.700 -0.027 0.000 0.970 263 T CA -0.173 61.907 62.100 -0.032 0.000 1.168 263 T CB 0.006 68.865 68.868 -0.016 0.000 0.911 263 T HN 0.462 nan 8.240 nan 0.000 0.535 264 Q N 3.184 122.969 119.800 -0.025 0.000 2.349 264 Q HA 0.252 4.601 4.340 0.014 0.000 0.287 264 Q C -0.213 175.787 176.000 -0.000 0.000 1.044 264 Q CA 0.551 56.344 55.803 -0.016 0.000 0.918 264 Q CB 0.465 29.194 28.738 -0.016 0.000 1.242 264 Q HN 0.582 nan 8.270 nan 0.000 0.405 265 M N 3.059 122.666 119.600 0.011 0.000 2.446 265 M HA 0.414 4.903 4.480 0.014 0.000 0.294 265 M C -2.431 173.893 176.300 0.039 0.000 1.158 265 M CA -2.071 53.244 55.300 0.026 0.000 0.899 265 M CB 2.680 35.300 32.600 0.033 0.000 1.687 265 M HN 0.422 nan 8.290 nan 0.000 0.455 266 P HA 0.187 nan 4.420 nan 0.000 0.281 266 P C -1.331 176.021 177.300 0.085 0.000 1.249 266 P CA -0.505 62.628 63.100 0.055 0.000 0.810 266 P CB 0.797 32.524 31.700 0.045 0.000 1.008 267 K N 2.453 122.917 120.400 0.106 0.000 2.489 267 K HA 0.071 4.399 4.320 0.014 0.000 0.278 267 K C 0.296 176.999 176.600 0.171 0.000 1.000 267 K CA 0.127 56.514 56.287 0.167 0.000 1.012 267 K CB 0.047 32.637 32.500 0.150 0.000 0.903 267 K HN 0.423 nan 8.250 nan 0.000 0.485 268 M N 2.554 122.289 119.600 0.226 0.000 2.197 268 M HA 0.039 4.528 4.480 0.014 0.000 0.305 268 M C 0.650 177.117 176.300 0.277 0.000 1.162 268 M CA -0.408 54.997 55.300 0.176 0.000 1.099 268 M CB 0.455 33.101 32.600 0.077 0.000 1.430 268 M HN 0.574 nan 8.290 nan 0.000 0.481 269 N N 0.856 119.665 118.700 0.181 0.000 2.401 269 N HA 0.046 4.795 4.740 0.014 0.000 0.255 269 N C -0.068 175.609 175.510 0.279 0.000 1.110 269 N CA 0.191 53.362 53.050 0.202 0.000 0.949 269 N CB 0.411 38.959 38.487 0.100 0.000 1.110 269 N HN 0.438 nan 8.380 nan 0.000 0.490 270 F N 2.551 122.532 119.950 0.052 0.000 2.234 270 F HA 0.009 4.545 4.527 0.014 0.000 0.299 270 F C 2.293 178.167 175.800 0.122 0.000 1.087 270 F CA 0.742 58.812 58.000 0.116 0.000 1.340 270 F CB -0.810 38.318 39.000 0.212 0.000 1.031 270 F HN 0.675 nan 8.300 nan 0.000 0.500 271 A N -0.137 122.836 122.820 0.255 0.000 2.070 271 A HA -0.174 4.155 4.320 0.014 0.000 0.220 271 A C 1.939 179.566 177.584 0.071 0.000 1.159 271 A CA 1.689 53.816 52.037 0.150 0.000 0.656 271 A CB -0.589 18.471 19.000 0.101 0.000 0.800 271 A HN 0.309 nan 8.150 nan 0.000 0.453 272 N N -0.704 118.017 118.700 0.034 0.000 2.353 272 N HA 0.049 4.797 4.740 0.014 0.000 0.185 272 N C 1.319 176.751 175.510 -0.130 0.000 1.098 272 N CA 0.849 53.880 53.050 -0.030 0.000 0.872 272 N CB 0.401 38.877 38.487 -0.019 0.000 0.970 272 N HN 0.303 nan 8.380 nan 0.000 0.467 273 V N -0.439 119.331 119.914 -0.240 0.000 2.492 273 V HA 0.112 4.240 4.120 0.014 0.000 0.241 273 V C 0.267 175.961 176.094 -0.666 0.000 1.041 273 V CA 0.816 62.776 62.300 -0.566 0.000 1.057 273 V CB -0.178 31.082 31.823 -0.939 0.000 0.711 273 V HN 0.026 nan 8.190 nan 0.000 0.468 274 F N 0.975 120.867 119.950 -0.096 0.000 2.560 274 F HA 0.468 5.004 4.527 0.015 0.000 0.338 274 F C 0.309 176.085 175.800 -0.040 0.000 1.201 274 F CA -0.396 57.558 58.000 -0.076 0.000 1.291 274 F CB -0.550 38.405 39.000 -0.076 0.000 1.627 274 F HN -0.024 nan 8.300 nan 0.000 0.588 275 I N 1.788 122.380 120.570 0.037 0.000 2.668 275 I HA 0.115 4.294 4.170 0.014 0.000 0.285 275 I C 1.419 177.566 176.117 0.051 0.000 1.168 275 I CA 0.892 62.210 61.300 0.030 0.000 1.424 275 I CB 0.085 38.080 38.000 -0.008 0.000 1.377 275 I HN 0.795 nan 8.210 nan 0.000 0.560 276 G N 4.197 113.027 108.800 0.049 0.000 2.179 276 G HA2 -0.251 3.718 3.960 0.014 0.000 0.260 276 G HA3 -0.251 3.718 3.960 0.014 0.000 0.260 276 G C 0.463 175.395 174.900 0.052 0.000 0.977 276 G CA -0.014 45.112 45.100 0.044 0.000 0.641 276 G HN 1.018 nan 8.290 nan 0.000 0.533 277 A N 0.134 122.995 122.820 0.070 0.000 2.462 277 A HA 0.506 4.834 4.320 0.014 0.000 0.243 277 A C 0.831 178.435 177.584 0.033 0.000 1.076 277 A CA 0.480 52.547 52.037 0.050 0.000 0.773 277 A CB 0.185 19.211 19.000 0.044 0.000 1.010 277 A HN 0.947 nan 8.150 nan 0.000 0.493 278 N N 2.283 121.004 118.700 0.035 0.000 2.223 278 N HA -0.045 4.704 4.740 0.014 0.000 0.271 278 N C -1.723 173.783 175.510 -0.006 0.000 1.315 278 N CA -0.968 52.108 53.050 0.044 0.000 0.835 278 N CB 0.615 39.182 38.487 0.134 0.000 1.066 278 N HN 0.233 nan 8.380 nan 0.000 0.486 279 P HA -0.108 nan 4.420 nan 0.000 0.219 279 P C 1.401 178.693 177.300 -0.015 0.000 1.146 279 P CA 1.012 64.116 63.100 0.006 0.000 0.808 279 P CB 0.249 31.962 31.700 0.021 0.000 0.779 280 L N -1.421 119.803 121.223 0.001 0.000 2.109 280 L HA -0.104 4.245 4.340 0.014 0.000 0.207 280 L C 2.447 179.165 176.870 -0.254 0.000 1.086 280 L CA 1.301 56.160 54.840 0.031 0.000 0.760 280 L CB -1.081 41.088 42.059 0.183 0.000 0.910 280 L HN -0.036 nan 8.230 nan 0.000 0.437 281 A N -0.098 122.388 122.820 -0.558 0.000 1.877 281 A HA -0.144 4.185 4.320 0.014 0.000 0.216 281 A C 2.340 179.627 177.584 -0.496 0.000 1.186 281 A CA 1.668 53.145 52.037 -0.934 0.000 0.620 281 A CB -0.803 17.728 19.000 -0.781 0.000 0.822 281 A HN 0.167 nan 8.150 nan 0.000 0.443 282 V N 0.581 120.340 119.914 -0.258 0.000 2.332 282 V HA -0.297 3.831 4.120 0.014 0.000 0.248 282 V C 2.340 178.374 176.094 -0.100 0.000 1.055 282 V CA 2.617 64.859 62.300 -0.098 0.000 1.038 282 V CB -0.852 31.000 31.823 0.048 0.000 0.651 282 V HN 0.775 nan 8.190 nan 0.000 0.450 283 D N -0.491 119.848 120.400 -0.101 0.000 2.117 283 D HA -0.178 4.471 4.640 0.014 0.000 0.198 283 D C 1.967 178.176 176.300 -0.152 0.000 0.982 283 D CA 1.126 55.092 54.000 -0.058 0.000 0.828 283 D CB -0.092 40.756 40.800 0.079 0.000 0.967 283 D HN 0.277 nan 8.370 nan 0.000 0.464 284 L N 0.239 121.254 121.223 -0.346 0.000 2.017 284 L HA -0.040 4.308 4.340 0.014 0.000 0.208 284 L C 2.102 178.794 176.870 -0.297 0.000 1.073 284 L CA 1.453 55.971 54.840 -0.536 0.000 0.745 284 L CB -0.612 40.983 42.059 -0.773 0.000 0.894 284 L HN 0.198 nan 8.230 nan 0.000 0.432 285 L N -0.554 120.507 121.223 -0.270 0.000 2.013 285 L HA -0.278 4.071 4.340 0.014 0.000 0.212 285 L C 2.531 179.360 176.870 -0.068 0.000 1.073 285 L CA 1.818 56.567 54.840 -0.152 0.000 0.753 285 L CB -0.660 41.285 42.059 -0.190 0.000 0.890 285 L HN 0.368 nan 8.230 nan 0.000 0.432 286 E N -0.135 119.930 120.200 -0.225 0.000 2.153 286 E HA -0.234 4.125 4.350 0.014 0.000 0.194 286 E C 2.097 178.569 176.600 -0.213 0.000 0.988 286 E CA 1.041 57.153 56.400 -0.481 0.000 0.811 286 E CB 0.027 29.381 29.700 -0.578 0.000 0.746 286 E HN 0.433 nan 8.360 nan 0.000 0.466 287 K N -0.303 120.017 120.400 -0.132 0.000 2.305 287 K HA 0.051 4.379 4.320 0.014 0.000 0.199 287 K C 1.910 178.509 176.600 -0.002 0.000 1.047 287 K CA 0.638 56.894 56.287 -0.051 0.000 0.976 287 K CB 0.182 32.662 32.500 -0.033 0.000 0.765 287 K HN 0.105 nan 8.250 nan 0.000 0.474 288 M N 0.082 119.668 119.600 -0.023 0.000 2.325 288 M HA 0.034 4.523 4.480 0.014 0.000 0.265 288 M C 0.628 176.957 176.300 0.048 0.000 1.094 288 M CA 0.876 56.186 55.300 0.016 0.000 1.161 288 M CB 0.356 32.931 32.600 -0.040 0.000 1.358 288 M HN -0.023 nan 8.290 nan 0.000 0.446 289 L N 1.627 122.843 121.223 -0.011 0.000 2.796 289 L HA 0.216 4.565 4.340 0.014 0.000 0.235 289 L C -0.811 176.217 176.870 0.264 0.000 1.344 289 L CA -0.584 54.205 54.840 -0.085 0.000 1.245 289 L CB -0.387 41.624 42.059 -0.080 0.000 1.556 289 L HN -0.058 nan 8.230 nan 0.000 0.423 290 V N 0.992 121.135 119.914 0.382 0.000 2.398 290 V HA 0.091 4.219 4.120 0.014 0.000 0.286 290 V C 1.018 177.389 176.094 0.462 0.000 1.026 290 V CA -0.497 62.006 62.300 0.339 0.000 0.868 290 V CB 2.299 34.241 31.823 0.199 0.000 0.982 290 V HN 0.381 nan 8.190 nan 0.000 0.443 291 L N 3.070 124.518 121.223 0.376 0.000 2.012 291 L HA -0.042 4.306 4.340 0.014 0.000 0.210 291 L C 1.292 178.279 176.870 0.194 0.000 1.073 291 L CA 1.784 56.782 54.840 0.264 0.000 0.748 291 L CB -0.347 41.848 42.059 0.226 0.000 0.891 291 L HN 0.765 nan 8.230 nan 0.000 0.431 292 D N -1.290 119.213 120.400 0.171 0.000 2.338 292 D HA 0.005 4.654 4.640 0.014 0.000 0.255 292 D C 1.374 177.759 176.300 0.141 0.000 1.237 292 D CA 0.709 54.790 54.000 0.136 0.000 0.883 292 D CB 1.157 42.016 40.800 0.097 0.000 1.087 292 D HN 0.353 nan 8.370 nan 0.000 0.485 293 S N 2.657 118.438 115.700 0.136 0.000 2.447 293 S HA -0.171 4.308 4.470 0.014 0.000 0.233 293 S C 1.199 175.866 174.600 0.112 0.000 1.006 293 S CA 0.515 58.794 58.200 0.133 0.000 0.957 293 S CB 0.092 63.365 63.200 0.123 0.000 0.773 293 S HN 0.409 nan 8.310 nan 0.000 0.507 294 D N 2.068 122.525 120.400 0.095 0.000 2.218 294 D HA -0.012 4.636 4.640 0.014 0.000 0.204 294 D C 1.559 177.905 176.300 0.076 0.000 0.976 294 D CA 1.055 55.100 54.000 0.075 0.000 0.853 294 D CB -0.077 40.760 40.800 0.061 0.000 0.939 294 D HN 0.598 nan 8.370 nan 0.000 0.481 295 K N -0.198 120.255 120.400 0.088 0.000 2.358 295 K HA 0.178 4.507 4.320 0.014 0.000 0.200 295 K C 0.556 177.212 176.600 0.095 0.000 1.030 295 K CA -0.311 56.025 56.287 0.082 0.000 1.097 295 K CB 1.215 33.760 32.500 0.075 0.000 0.862 295 K HN -0.059 nan 8.250 nan 0.000 0.534 296 R N 1.487 122.058 120.500 0.118 0.000 2.643 296 R HA 0.178 4.526 4.340 0.014 0.000 0.270 296 R C 0.256 176.620 176.300 0.107 0.000 1.061 296 R CA -0.192 55.988 56.100 0.132 0.000 1.107 296 R CB 0.579 30.983 30.300 0.174 0.000 0.999 296 R HN 0.095 nan 8.270 nan 0.000 0.460 297 I N 1.938 122.566 120.570 0.097 0.000 2.752 297 I HA -0.068 4.111 4.170 0.014 0.000 0.287 297 I C 0.808 176.990 176.117 0.107 0.000 1.188 297 I CA 0.462 61.817 61.300 0.093 0.000 1.427 297 I CB 0.833 38.881 38.000 0.079 0.000 1.365 297 I HN 0.729 nan 8.210 nan 0.000 0.585 298 T N 3.665 118.283 114.554 0.107 0.000 2.824 298 T HA 0.458 4.816 4.350 0.014 0.000 0.277 298 T C 1.052 175.824 174.700 0.120 0.000 0.975 298 T CA -0.157 62.017 62.100 0.124 0.000 0.966 298 T CB 1.533 70.468 68.868 0.112 0.000 1.054 298 T HN 0.702 nan 8.240 nan 0.000 0.533 299 A N 0.939 123.841 122.820 0.137 0.000 1.877 299 A HA 0.193 4.522 4.320 0.014 0.000 0.216 299 A C 2.692 180.304 177.584 0.047 0.000 1.186 299 A CA 1.937 54.010 52.037 0.061 0.000 0.620 299 A CB -1.648 17.353 19.000 0.003 0.000 0.822 299 A HN 1.282 nan 8.150 nan 0.000 0.443 300 A N -0.726 122.137 122.820 0.072 0.000 1.883 300 A HA -0.273 4.055 4.320 0.014 0.000 0.217 300 A C 2.133 179.766 177.584 0.083 0.000 1.186 300 A CA 1.975 54.059 52.037 0.077 0.000 0.624 300 A CB -0.700 18.353 19.000 0.088 0.000 0.822 300 A HN 0.652 nan 8.150 nan 0.000 0.444 301 Q N -0.750 119.104 119.800 0.091 0.000 2.061 301 Q HA -0.104 4.245 4.340 0.014 0.000 0.204 301 Q C 2.417 178.492 176.000 0.125 0.000 0.984 301 Q CA 1.706 57.569 55.803 0.100 0.000 0.846 301 Q CB -0.426 28.373 28.738 0.101 0.000 0.902 301 Q HN 0.693 nan 8.270 nan 0.000 0.421 302 A N 0.575 123.476 122.820 0.134 0.000 1.972 302 A HA -0.146 4.182 4.320 0.014 0.000 0.219 302 A C 2.028 179.781 177.584 0.282 0.000 1.169 302 A CA 1.022 53.185 52.037 0.211 0.000 0.635 302 A CB -0.665 18.442 19.000 0.179 0.000 0.810 302 A HN 0.321 nan 8.150 nan 0.000 0.446 303 L N -0.993 120.290 121.223 0.099 0.000 2.187 303 L HA -0.199 4.149 4.340 0.014 0.000 0.213 303 L C 2.649 179.405 176.870 -0.191 0.000 1.100 303 L CA 1.024 55.878 54.840 0.023 0.000 0.765 303 L CB -0.300 41.766 42.059 0.011 0.000 0.904 303 L HN 0.436 nan 8.230 nan 0.000 0.437 304 A N -2.480 120.227 122.820 -0.188 0.000 2.275 304 A HA -0.023 4.305 4.320 0.014 0.000 0.212 304 A C 0.878 178.473 177.584 0.019 0.000 1.201 304 A CA -0.172 51.686 52.037 -0.298 0.000 0.843 304 A CB -0.530 18.435 19.000 -0.058 0.000 0.873 304 A HN 0.306 nan 8.150 nan 0.000 0.492 305 H N 0.085 119.211 119.070 0.094 0.000 2.732 305 H HA 0.348 4.913 4.556 0.014 0.000 0.351 305 H C 1.390 176.776 175.328 0.098 0.000 1.090 305 H CA 0.430 56.544 56.048 0.110 0.000 1.431 305 H CB 1.321 31.166 29.762 0.137 0.000 1.447 305 H HN 0.150 nan 8.280 nan 0.000 0.582 306 A N 5.141 127.823 122.820 -0.230 0.000 2.032 306 A HA -0.265 4.064 4.320 0.014 0.000 0.221 306 A C 1.932 179.554 177.584 0.063 0.000 1.165 306 A CA 1.301 53.294 52.037 -0.074 0.000 0.645 306 A CB -0.927 17.977 19.000 -0.160 0.000 0.807 306 A HN 0.852 nan 8.150 nan 0.000 0.453 307 Y N -0.428 119.878 120.300 0.010 0.000 2.241 307 Y HA -0.209 4.349 4.550 0.014 0.000 0.286 307 Y C 1.074 176.807 175.900 -0.280 0.000 1.166 307 Y CA 1.378 59.347 58.100 -0.217 0.000 1.203 307 Y CB -0.422 37.735 38.460 -0.505 0.000 0.977 307 Y HN 0.360 nan 8.280 nan 0.000 0.529 308 F N -1.337 118.716 119.950 0.173 0.000 2.668 308 F HA 0.357 4.893 4.527 0.015 0.000 0.297 308 F C 1.930 177.770 175.800 0.065 0.000 1.124 308 F CA 0.092 58.160 58.000 0.113 0.000 1.353 308 F CB -0.364 38.801 39.000 0.274 0.000 0.992 308 F HN 0.022 nan 8.300 nan 0.000 0.524 309 A N 0.236 123.128 122.820 0.121 0.000 1.948 309 A HA -0.248 4.081 4.320 0.014 0.000 0.220 309 A C 2.191 179.752 177.584 -0.037 0.000 1.177 309 A CA 1.652 53.731 52.037 0.069 0.000 0.636 309 A CB -0.421 18.587 19.000 0.013 0.000 0.815 309 A HN 0.458 nan 8.150 nan 0.000 0.449 310 Q N -2.384 117.310 119.800 -0.177 0.000 2.369 310 Q HA -0.113 4.235 4.340 0.014 0.000 0.206 310 Q C 1.216 176.825 176.000 -0.652 0.000 0.963 310 Q CA 1.342 56.882 55.803 -0.438 0.000 0.894 310 Q CB -0.085 28.288 28.738 -0.608 0.000 0.965 310 Q HN 0.938 nan 8.270 nan 0.000 0.475 311 Y N -1.963 118.230 120.300 -0.179 0.000 2.581 311 Y HA 0.072 4.630 4.550 0.013 0.000 0.271 311 Y C 0.857 176.506 175.900 -0.418 0.000 1.100 311 Y CA -0.541 57.297 58.100 -0.437 0.000 1.281 311 Y CB 0.170 38.094 38.460 -0.893 0.000 1.237 311 Y HN 0.096 nan 8.280 nan 0.000 0.514 312 H N 2.008 121.001 119.070 -0.128 0.000 3.070 312 H HA 0.113 4.678 4.556 0.015 0.000 0.313 312 H C -0.956 174.436 175.328 0.107 0.000 0.997 312 H CA 0.132 56.253 56.048 0.121 0.000 1.438 312 H CB 0.227 30.122 29.762 0.221 0.000 1.455 312 H HN 0.082 nan 8.280 nan 0.000 0.575 313 D N 6.743 127.084 120.400 -0.098 0.000 2.386 313 D HA 0.160 4.808 4.640 0.014 0.000 0.247 313 D C -2.173 174.011 176.300 -0.193 0.000 1.336 313 D CA -2.029 51.853 54.000 -0.196 0.000 0.976 313 D CB 1.620 42.411 40.800 -0.015 0.000 1.257 313 D HN 0.351 nan 8.370 nan 0.000 0.570 314 P HA -0.030 nan 4.420 nan 0.000 0.225 314 P C 0.302 177.608 177.300 0.009 0.000 1.148 314 P CA 0.664 63.713 63.100 -0.085 0.000 0.779 314 P CB 0.570 32.237 31.700 -0.056 0.000 0.780 315 D N -0.681 119.712 120.400 -0.011 0.000 2.339 315 D HA -0.005 4.643 4.640 0.014 0.000 0.217 315 D C 0.317 176.639 176.300 0.035 0.000 1.050 315 D CA 0.605 54.616 54.000 0.018 0.000 0.856 315 D CB 0.090 40.893 40.800 0.006 0.000 0.922 315 D HN 0.167 nan 8.370 nan 0.000 0.518 316 D N 0.541 120.973 120.400 0.053 0.000 2.837 316 D HA 0.070 4.718 4.640 0.014 0.000 0.340 316 D C -0.654 175.712 176.300 0.111 0.000 1.451 316 D CA -0.108 53.933 54.000 0.069 0.000 0.798 316 D CB 0.086 40.924 40.800 0.064 0.000 1.169 316 D HN -0.115 nan 8.370 nan 0.000 0.449 317 E N 1.425 121.701 120.200 0.127 0.000 3.666 317 E HA 0.228 4.587 4.350 0.014 0.000 0.230 317 E C -2.427 174.281 176.600 0.179 0.000 1.235 317 E CA -1.509 54.989 56.400 0.162 0.000 1.096 317 E CB 1.469 31.278 29.700 0.182 0.000 1.287 317 E HN 0.217 nan 8.360 nan 0.000 0.406 318 P HA 0.035 nan 4.420 nan 0.000 0.274 318 P C 0.112 177.600 177.300 0.313 0.000 1.231 318 P CA -0.327 62.910 63.100 0.228 0.000 0.790 318 P CB 1.024 32.849 31.700 0.209 0.000 0.951 319 V N -1.336 118.706 119.914 0.214 0.000 3.109 319 V HA 0.801 4.930 4.120 0.014 0.000 0.317 319 V C 0.233 176.350 176.094 0.039 0.000 1.074 319 V CA -1.226 61.140 62.300 0.109 0.000 1.033 319 V CB 0.535 32.387 31.823 0.047 0.000 1.111 319 V HN 0.711 nan 8.190 nan 0.000 0.458 320 A N 0.966 123.579 122.820 -0.345 0.000 2.322 320 A HA 0.476 4.804 4.320 0.014 0.000 0.269 320 A C 0.032 177.590 177.584 -0.043 0.000 1.094 320 A CA -0.464 51.303 52.037 -0.449 0.000 0.807 320 A CB -0.180 18.336 19.000 -0.806 0.000 1.047 320 A HN 0.960 nan 8.150 nan 0.000 0.487 321 D N 1.561 121.990 120.400 0.049 0.000 2.449 321 D HA 0.240 4.889 4.640 0.014 0.000 0.236 321 D C -2.269 174.213 176.300 0.304 0.000 1.149 321 D CA -0.493 53.594 54.000 0.145 0.000 0.878 321 D CB -0.082 40.777 40.800 0.099 0.000 1.198 321 D HN 0.197 nan 8.370 nan 0.000 0.446 322 P HA -0.092 nan 4.420 nan 0.000 0.259 322 P C -0.780 176.614 177.300 0.157 0.000 1.163 322 P CA 0.486 63.674 63.100 0.146 0.000 0.760 322 P CB -0.047 31.712 31.700 0.097 0.000 0.762 323 Y N 3.552 123.767 120.300 -0.142 0.000 2.328 323 Y HA 0.309 4.867 4.550 0.012 0.000 0.337 323 Y C -0.227 175.599 175.900 -0.124 0.000 0.966 323 Y CA -1.171 56.717 58.100 -0.354 0.000 1.136 323 Y CB 0.896 39.016 38.460 -0.567 0.000 1.170 323 Y HN 0.234 nan 8.280 nan 0.000 0.470 324 D N 6.156 126.291 120.400 -0.442 0.000 2.411 324 D HA 0.061 4.710 4.640 0.014 0.000 0.225 324 D C -0.228 175.790 176.300 -0.471 0.000 1.156 324 D CA -0.187 53.621 54.000 -0.321 0.000 0.874 324 D CB 0.792 41.523 40.800 -0.116 0.000 1.034 324 D HN 0.845 nan 8.370 nan 0.000 0.502 325 Q N 1.938 121.454 119.800 -0.472 0.000 2.237 325 Q HA 0.092 4.440 4.340 0.014 0.000 0.252 325 Q C 0.818 176.606 176.000 -0.354 0.000 0.877 325 Q CA -0.375 55.179 55.803 -0.415 0.000 1.011 325 Q CB 0.124 28.595 28.738 -0.446 0.000 1.118 325 Q HN 0.305 nan 8.270 nan 0.000 0.458 326 S N 0.885 116.513 115.700 -0.121 0.000 2.400 326 S HA -0.244 4.234 4.470 0.014 0.000 0.232 326 S C 1.661 176.251 174.600 -0.016 0.000 1.025 326 S CA 1.091 59.251 58.200 -0.067 0.000 0.993 326 S CB -1.013 62.185 63.200 -0.003 0.000 0.808 326 S HN 0.688 nan 8.310 nan 0.000 0.478 327 F N 2.320 122.324 119.950 0.091 0.000 2.236 327 F HA 0.030 4.565 4.527 0.013 0.000 0.302 327 F C 2.043 178.019 175.800 0.292 0.000 1.073 327 F CA 1.181 59.327 58.000 0.244 0.000 1.336 327 F CB -0.730 38.552 39.000 0.469 0.000 1.040 327 F HN 0.057 nan 8.300 nan 0.000 0.507 328 E N 1.028 120.758 120.200 -0.783 0.000 2.160 328 E HA -0.176 4.182 4.350 0.014 0.000 0.195 328 E C 2.120 178.648 176.600 -0.120 0.000 0.991 328 E CA 1.562 57.643 56.400 -0.531 0.000 0.810 328 E CB -0.446 28.911 29.700 -0.572 0.000 0.742 328 E HN 0.647 nan 8.360 nan 0.000 0.466 329 S N -0.328 115.332 115.700 -0.067 0.000 2.572 329 S HA 0.181 4.659 4.470 0.014 0.000 0.228 329 S C 0.731 175.369 174.600 0.063 0.000 0.963 329 S CA -0.469 57.728 58.200 -0.005 0.000 0.939 329 S CB 0.364 63.539 63.200 -0.042 0.000 0.804 329 S HN -0.035 nan 8.310 nan 0.000 0.480 330 R N 1.354 121.944 120.500 0.150 0.000 2.357 330 R HA 0.322 4.671 4.340 0.014 0.000 0.296 330 R C -1.409 175.010 176.300 0.197 0.000 1.052 330 R CA -0.294 55.887 56.100 0.134 0.000 0.988 330 R CB 0.551 30.917 30.300 0.110 0.000 1.025 330 R HN 0.154 nan 8.270 nan 0.000 0.469 331 D N 4.308 124.754 120.400 0.075 0.000 2.467 331 D HA 0.261 4.910 4.640 0.014 0.000 0.220 331 D C -0.954 175.332 176.300 -0.023 0.000 1.103 331 D CA -0.170 53.882 54.000 0.087 0.000 0.886 331 D CB 0.379 41.208 40.800 0.048 0.000 1.025 331 D HN 0.264 nan 8.370 nan 0.000 0.514 332 L N 2.600 123.802 121.223 -0.036 0.000 2.333 332 L HA 0.524 4.873 4.340 0.014 0.000 0.263 332 L C -0.025 176.781 176.870 -0.108 0.000 1.014 332 L CA -1.258 53.382 54.840 -0.334 0.000 0.820 332 L CB 1.625 43.005 42.059 -1.132 0.000 1.352 332 L HN 0.132 nan 8.230 nan 0.000 0.421 333 L N 1.221 122.363 121.223 -0.136 0.000 2.466 333 L HA 0.229 4.578 4.340 0.014 0.000 0.257 333 L C 1.410 178.326 176.870 0.077 0.000 1.189 333 L CA -0.216 54.622 54.840 -0.002 0.000 0.813 333 L CB 0.698 42.734 42.059 -0.038 0.000 1.118 333 L HN 0.585 nan 8.230 nan 0.000 0.471 334 I N 0.475 121.143 120.570 0.163 0.000 2.113 334 I HA -0.335 3.843 4.170 0.014 0.000 0.242 334 I C 1.696 177.876 176.117 0.104 0.000 1.064 334 I CA 1.517 62.948 61.300 0.219 0.000 1.320 334 I CB -0.192 37.901 38.000 0.155 0.000 1.028 334 I HN 0.757 nan 8.210 nan 0.000 0.406 335 D N 0.354 120.753 120.400 -0.002 0.000 2.219 335 D HA -0.143 4.506 4.640 0.014 0.000 0.205 335 D C 2.120 178.351 176.300 -0.114 0.000 0.970 335 D CA 0.959 54.911 54.000 -0.079 0.000 0.851 335 D CB -0.071 40.684 40.800 -0.075 0.000 0.943 335 D HN 0.454 nan 8.370 nan 0.000 0.488 336 E N -0.679 119.432 120.200 -0.148 0.000 2.046 336 E HA -0.121 4.237 4.350 0.014 0.000 0.190 336 E C 2.081 178.513 176.600 -0.280 0.000 0.982 336 E CA 0.547 56.794 56.400 -0.256 0.000 0.800 336 E CB -0.177 29.302 29.700 -0.368 0.000 0.756 336 E HN 0.399 nan 8.360 nan 0.000 0.449 337 W N 1.751 122.984 121.300 -0.112 0.000 2.342 337 W HA -0.185 4.482 4.660 0.013 0.000 0.297 337 W C 2.489 178.954 176.519 -0.089 0.000 1.213 337 W CA 0.901 58.176 57.345 -0.118 0.000 1.251 337 W CB 0.006 29.481 29.460 0.025 0.000 1.136 337 W HN 0.023 nan 8.180 nan 0.000 0.526 338 K N 0.168 120.575 120.400 0.011 0.000 2.057 338 K HA -0.201 4.127 4.320 0.014 0.000 0.207 338 K C 2.347 178.913 176.600 -0.056 0.000 1.049 338 K CA 1.764 57.809 56.287 -0.403 0.000 0.931 338 K CB -0.485 31.548 32.500 -0.779 0.000 0.714 338 K HN -0.021 nan 8.250 nan 0.000 0.440 339 S N 0.312 115.982 115.700 -0.051 0.000 2.387 339 S HA -0.037 4.441 4.470 0.014 0.000 0.226 339 S C 1.908 176.549 174.600 0.068 0.000 1.026 339 S CA 0.780 58.988 58.200 0.014 0.000 0.972 339 S CB -0.235 62.935 63.200 -0.050 0.000 0.814 339 S HN 0.358 nan 8.310 nan 0.000 0.477 340 L N 0.854 122.070 121.223 -0.012 0.000 2.046 340 L HA -0.106 4.243 4.340 0.014 0.000 0.208 340 L C 2.802 179.820 176.870 0.247 0.000 1.077 340 L CA 1.648 56.480 54.840 -0.014 0.000 0.747 340 L CB -1.078 40.732 42.059 -0.414 0.000 0.896 340 L HN 0.346 nan 8.230 nan 0.000 0.432 341 T N -1.460 113.319 114.554 0.374 0.000 2.674 341 T HA -0.249 4.110 4.350 0.014 0.000 0.265 341 T C 1.712 176.626 174.700 0.357 0.000 1.039 341 T CA 1.355 63.785 62.100 0.550 0.000 1.150 341 T CB -0.427 68.884 68.868 0.739 0.000 0.864 341 T HN 0.227 nan 8.240 nan 0.000 0.427 342 Y N 2.529 122.887 120.300 0.097 0.000 2.102 342 Y HA -0.265 4.294 4.550 0.015 0.000 0.280 342 Y C 2.133 177.942 175.900 -0.152 0.000 1.178 342 Y CA 1.666 59.558 58.100 -0.346 0.000 1.146 342 Y CB -0.634 37.576 38.460 -0.416 0.000 0.968 342 Y HN 0.194 nan 8.280 nan 0.000 0.504 343 D N -0.183 120.213 120.400 -0.006 0.000 2.123 343 D HA -0.178 4.471 4.640 0.014 0.000 0.196 343 D C 2.052 178.329 176.300 -0.038 0.000 0.992 343 D CA 1.637 55.610 54.000 -0.044 0.000 0.833 343 D CB -0.220 40.606 40.800 0.044 0.000 0.954 343 D HN 0.483 nan 8.370 nan 0.000 0.455 344 E N 0.293 120.526 120.200 0.055 0.000 2.152 344 E HA -0.068 4.291 4.350 0.014 0.000 0.192 344 E C 2.437 179.062 176.600 0.041 0.000 0.983 344 E CA 0.198 56.645 56.400 0.078 0.000 0.818 344 E CB -0.085 29.688 29.700 0.120 0.000 0.758 344 E HN 0.183 nan 8.360 nan 0.000 0.467 345 V N 1.836 121.724 119.914 -0.044 0.000 2.270 345 V HA -0.225 3.903 4.120 0.014 0.000 0.245 345 V C 2.348 178.393 176.094 -0.083 0.000 1.043 345 V CA 1.198 63.455 62.300 -0.073 0.000 1.014 345 V CB -0.335 31.385 31.823 -0.172 0.000 0.645 345 V HN 0.203 nan 8.190 nan 0.000 0.447 346 I N 1.232 121.644 120.570 -0.263 0.000 2.394 346 I HA -0.128 4.050 4.170 0.014 0.000 0.251 346 I C 2.414 178.492 176.117 -0.064 0.000 1.136 346 I CA 2.113 63.273 61.300 -0.235 0.000 1.425 346 I CB -1.217 36.536 38.000 -0.411 0.000 1.079 346 I HN 0.542 nan 8.210 nan 0.000 0.425 347 S N -0.262 115.424 115.700 -0.023 0.000 2.593 347 S HA 0.012 4.491 4.470 0.014 0.000 0.217 347 S C 0.704 175.349 174.600 0.075 0.000 0.966 347 S CA -0.509 57.702 58.200 0.019 0.000 0.914 347 S CB -0.888 62.321 63.200 0.015 0.000 0.776 347 S HN 0.204 nan 8.310 nan 0.000 0.523 348 F N 2.840 122.778 119.950 -0.020 0.000 2.607 348 F HA 0.395 4.932 4.527 0.016 0.000 0.374 348 F C -0.336 175.470 175.800 0.010 0.000 1.104 348 F CA -0.275 57.728 58.000 0.004 0.000 1.296 348 F CB 0.610 39.620 39.000 0.017 0.000 1.085 348 F HN -0.061 nan 8.300 nan 0.000 0.584 349 V N 8.423 127.834 119.914 -0.839 0.000 2.409 349 V HA 0.345 4.474 4.120 0.014 0.000 0.291 349 V C -1.922 173.520 176.094 -1.086 0.000 1.020 349 V CA -1.673 60.218 62.300 -0.681 0.000 0.848 349 V CB 1.373 32.998 31.823 -0.329 0.000 0.990 349 V HN 0.699 nan 8.190 nan 0.000 0.430 350 P HA 0.302 nan 4.420 nan 0.000 0.272 350 P C -2.714 174.471 177.300 -0.192 0.000 1.230 350 P CA -1.434 61.464 63.100 -0.337 0.000 0.788 350 P CB -0.241 31.478 31.700 0.031 0.000 0.949 351 P HA 0.210 nan 4.420 nan 0.000 0.269 351 P C -2.106 175.181 177.300 -0.022 0.000 1.209 351 P CA -0.724 62.360 63.100 -0.026 0.000 0.776 351 P CB -1.197 30.528 31.700 0.041 0.000 0.876 352 P HA 0.000 nan 4.420 nan 0.000 0.216 352 P CA 0.000 63.088 63.100 -0.020 0.000 0.800 352 P CB 0.000 31.690 31.700 -0.017 0.000 0.726