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 1yvr_1_A DATA FIRST_RESID 5 DATA SEQUENCE MDQTQPLNEK QVPNSEGCYV WQVSDMNRLR RFLCFGSEGG TYYIEEKKLG DATA SEQUENCE QENAEALLRL IEDGKGCEVV QEIKTFSQEG RAAKQEPTLF ALAVCSQCSD DATA SEQUENCE IKTKQAAFRA VPEVCRIPTH LFTFIQFKKD LXXXXXXXXW GRALRKAVSD DATA SEQUENCE WYNTKDALNL AMAVTKYKQR NGWSHKDLLR LSHIKPANEG LTMVAKYVSK DATA SEQUENCE GWKEVQEAYK EKELSPETEK VLKYLEATER VKRTKDELEI IHLIDEYRLV DATA SEQUENCE REHLLTIHLK SKEIWKSLLQ DMPLTALLRN LGKMTADSVL APASSEVSSV DATA SEQUENCE CERLTNEKLL KKARIHPFHI LVALETYKKG HXXXXXLRWI PDTSIVEALD DATA SEQUENCE NAFYKSFKLV EPTGKRFLLA IDVSASMNQR VLGSILNASV VAAAMCMLVA DATA SEQUENCE RTEKDSHMVA FSDEMLPCPI TVNMLLHEVV EKMSDITMGS TDCALPMLWA DATA SEQUENCE QKTNTAADIF IVFTDCETNV EDVHPATALK QYREKMGIPA KLIVCAMTSN DATA SEQUENCE GFSIADPDDR GMLDICGFDS GALDVIRNFT LDL 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 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.347 176.300 0.078 0.000 1.140 5 M CA 0.000 55.329 55.300 0.048 0.000 0.988 5 M CB 0.000 32.632 32.600 0.053 0.000 1.302 6 D N 2.178 122.604 120.400 0.044 0.000 2.621 6 D HA 0.365 5.004 4.640 -0.001 0.000 0.255 6 D C 0.126 176.302 176.300 -0.207 0.000 1.122 6 D CA -0.278 53.695 54.000 -0.044 0.000 1.096 6 D CB 0.693 41.462 40.800 -0.052 0.000 1.282 6 D HN 0.722 nan 8.370 nan 0.000 0.619 7 Q N -1.176 118.374 119.800 -0.417 0.000 2.364 7 Q HA -0.066 4.274 4.340 -0.001 0.000 0.209 7 Q C 1.429 177.327 176.000 -0.170 0.000 0.977 7 Q CA 1.735 57.177 55.803 -0.602 0.000 0.885 7 Q CB -0.275 28.222 28.738 -0.402 0.000 0.941 7 Q HN 0.745 nan 8.270 nan 0.000 0.464 8 T N -2.760 111.763 114.554 -0.052 0.000 3.148 8 T HA 0.017 4.366 4.350 -0.001 0.000 0.253 8 T C 0.372 175.168 174.700 0.159 0.000 1.134 8 T CA 0.024 62.164 62.100 0.068 0.000 1.051 8 T CB 0.144 69.025 68.868 0.021 0.000 0.959 8 T HN 0.132 nan 8.240 nan 0.000 0.525 9 Q N 1.930 121.777 119.800 0.079 0.000 2.377 9 Q HA 0.479 4.818 4.340 -0.001 0.000 0.271 9 Q C -3.000 172.844 176.000 -0.259 0.000 1.077 9 Q CA -3.040 52.687 55.803 -0.125 0.000 0.820 9 Q CB 2.038 30.735 28.738 -0.069 0.000 1.347 9 Q HN 0.104 nan 8.270 nan 0.000 0.444 10 P HA -0.016 nan 4.420 nan 0.000 0.276 10 P C -0.014 177.053 177.300 -0.389 0.000 1.243 10 P CA -0.208 62.465 63.100 -0.712 0.000 0.768 10 P CB 1.034 32.229 31.700 -0.841 0.000 0.856 11 L N 3.587 124.524 121.223 -0.476 0.000 2.093 11 L HA -0.046 4.294 4.340 -0.001 0.000 0.208 11 L C 1.296 178.047 176.870 -0.199 0.000 1.085 11 L CA 1.778 56.358 54.840 -0.433 0.000 0.755 11 L CB -0.686 41.000 42.059 -0.622 0.000 0.904 11 L HN 0.647 nan 8.230 nan 0.000 0.435 12 N N -2.929 115.674 118.700 -0.163 0.000 3.243 12 N HA 0.041 4.780 4.740 -0.001 0.000 0.280 12 N C 0.142 175.624 175.510 -0.047 0.000 1.545 12 N CA 0.016 53.039 53.050 -0.046 0.000 0.854 12 N CB 0.643 39.176 38.487 0.076 0.000 1.612 12 N HN 0.044 nan 8.380 nan 0.000 0.577 13 E N 0.232 120.435 120.200 0.004 0.000 2.418 13 E HA -0.052 4.298 4.350 -0.001 0.000 0.197 13 E C 0.807 177.443 176.600 0.059 0.000 1.026 13 E CA 0.885 57.292 56.400 0.013 0.000 0.862 13 E CB -0.015 29.696 29.700 0.019 0.000 0.799 13 E HN 0.461 nan 8.360 nan 0.000 0.518 14 K N 0.397 120.871 120.400 0.122 0.000 2.365 14 K HA 0.042 4.361 4.320 -0.001 0.000 0.197 14 K C 0.592 177.288 176.600 0.161 0.000 1.042 14 K CA 0.148 56.553 56.287 0.197 0.000 0.987 14 K CB 0.163 32.866 32.500 0.338 0.000 0.779 14 K HN 0.273 nan 8.250 nan 0.000 0.484 15 Q N 1.124 120.913 119.800 -0.018 0.000 2.417 15 Q HA 0.188 4.528 4.340 -0.001 0.000 0.241 15 Q C -0.236 175.828 176.000 0.106 0.000 1.008 15 Q CA -0.196 55.524 55.803 -0.138 0.000 0.901 15 Q CB 1.425 29.973 28.738 -0.317 0.000 1.259 15 Q HN -0.008 nan 8.270 nan 0.000 0.489 16 V N -1.659 118.298 119.914 0.072 0.000 3.007 16 V HA 0.666 4.786 4.120 -0.001 0.000 0.311 16 V C -2.721 173.192 176.094 -0.303 0.000 1.120 16 V CA -2.696 59.620 62.300 0.026 0.000 0.980 16 V CB 1.935 33.811 31.823 0.089 0.000 1.033 16 V HN 0.660 nan 8.190 nan 0.000 0.429 17 P HA 0.267 nan 4.420 nan 0.000 0.280 17 P C -0.802 176.121 177.300 -0.628 0.000 1.244 17 P CA 0.068 62.684 63.100 -0.808 0.000 0.784 17 P CB 1.010 32.317 31.700 -0.654 0.000 0.913 18 N N 1.008 119.206 118.700 -0.836 0.000 2.443 18 N HA 0.067 4.807 4.740 -0.001 0.000 0.294 18 N C 0.990 176.071 175.510 -0.715 0.000 1.289 18 N CA -0.490 51.781 53.050 -1.299 0.000 0.966 18 N CB -1.030 36.635 38.487 -1.371 0.000 1.122 18 N HN 0.164 nan 8.380 nan 0.000 0.569 19 S N -1.014 114.301 115.700 -0.642 0.000 2.442 19 S HA -0.064 4.406 4.470 -0.001 0.000 0.236 19 S C 0.737 175.068 174.600 -0.448 0.000 1.007 19 S CA 0.845 58.776 58.200 -0.448 0.000 0.965 19 S CB -0.289 62.528 63.200 -0.638 0.000 0.773 19 S HN 0.524 nan 8.310 nan 0.000 0.504 20 E N -0.080 119.826 120.200 -0.490 0.000 2.476 20 E HA 0.215 4.565 4.350 -0.001 0.000 0.196 20 E C 1.286 177.741 176.600 -0.241 0.000 1.029 20 E CA 0.312 56.535 56.400 -0.296 0.000 0.896 20 E CB 0.305 29.853 29.700 -0.253 0.000 1.012 20 E HN 0.515 nan 8.360 nan 0.000 0.475 21 G N 1.103 109.717 108.800 -0.311 0.000 2.162 21 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.260 21 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.260 21 G C 0.526 175.200 174.900 -0.376 0.000 0.976 21 G CA 0.462 45.381 45.100 -0.301 0.000 0.655 21 G HN 0.346 nan 8.290 nan 0.000 0.533 22 C N -0.147 118.922 119.300 -0.385 0.000 2.351 22 C HA 0.696 5.156 4.460 -0.001 0.000 0.359 22 C C 0.479 175.178 174.990 -0.484 0.000 1.193 22 C CA -1.033 57.801 59.018 -0.307 0.000 2.270 22 C CB 0.319 27.933 27.740 -0.209 0.000 2.369 22 C HN 0.319 nan 8.230 nan 0.000 0.553 23 Y N 1.276 121.477 120.300 -0.165 0.000 2.316 23 Y HA 0.522 5.072 4.550 -0.001 0.000 0.331 23 Y C 0.683 176.472 175.900 -0.185 0.000 1.083 23 Y CA 0.021 58.028 58.100 -0.155 0.000 1.206 23 Y CB 0.608 39.014 38.460 -0.090 0.000 1.195 23 Y HN 0.559 nan 8.280 nan 0.000 0.497 24 V N -1.132 118.668 119.914 -0.191 0.000 3.165 24 V HA 0.558 4.677 4.120 -0.001 0.000 0.309 24 V C -1.162 174.806 176.094 -0.210 0.000 1.267 24 V CA -1.589 60.598 62.300 -0.188 0.000 1.067 24 V CB 2.055 33.846 31.823 -0.053 0.000 1.082 24 V HN 0.695 nan 8.190 nan 0.000 0.451 25 W N 0.128 121.505 121.300 0.128 0.000 2.436 25 W HA 0.635 5.295 4.660 -0.001 0.000 0.347 25 W C -0.066 176.548 176.519 0.158 0.000 1.136 25 W CA -0.129 57.288 57.345 0.120 0.000 1.286 25 W CB 1.786 31.295 29.460 0.081 0.000 1.253 25 W HN 0.776 nan 8.180 nan 0.000 0.617 26 Q N 1.141 121.161 119.800 0.366 0.000 2.288 26 Q HA 0.271 4.610 4.340 -0.001 0.000 0.258 26 Q C -0.412 175.702 176.000 0.189 0.000 0.957 26 Q CA -0.106 55.840 55.803 0.238 0.000 0.919 26 Q CB 1.411 30.244 28.738 0.158 0.000 1.185 26 Q HN 0.313 nan 8.270 nan 0.000 0.408 27 V N 4.163 124.156 119.914 0.132 0.000 2.999 27 V HA 0.131 4.251 4.120 -0.001 0.000 0.307 27 V C -0.127 175.998 176.094 0.052 0.000 1.084 27 V CA 0.594 62.948 62.300 0.091 0.000 1.155 27 V CB 1.011 32.875 31.823 0.068 0.000 0.975 27 V HN 1.078 nan 8.190 nan 0.000 0.490 28 S N 3.804 119.525 115.700 0.034 0.000 2.568 28 S HA 0.061 4.530 4.470 -0.001 0.000 0.282 28 S C 0.761 175.366 174.600 0.008 0.000 1.338 28 S CA 0.078 58.289 58.200 0.018 0.000 1.045 28 S CB 0.777 63.981 63.200 0.007 0.000 0.873 28 S HN 0.800 nan 8.310 nan 0.000 0.516 29 D N 1.512 121.911 120.400 -0.001 0.000 2.149 29 D HA -0.102 4.538 4.640 -0.001 0.000 0.198 29 D C 1.846 178.137 176.300 -0.014 0.000 0.990 29 D CA 1.288 55.279 54.000 -0.015 0.000 0.839 29 D CB -0.210 40.577 40.800 -0.021 0.000 0.948 29 D HN 0.457 nan 8.370 nan 0.000 0.460 30 M N 0.576 120.173 119.600 -0.006 0.000 2.117 30 M HA -0.087 4.393 4.480 -0.001 0.000 0.262 30 M C 1.580 177.881 176.300 0.003 0.000 1.065 30 M CA 0.980 56.278 55.300 -0.004 0.000 1.114 30 M CB -0.809 31.795 32.600 0.005 0.000 1.361 30 M HN -0.010 nan 8.290 nan 0.000 0.408 31 N N -0.314 118.395 118.700 0.013 0.000 2.331 31 N HA -0.099 4.641 4.740 -0.001 0.000 0.180 31 N C 1.758 177.289 175.510 0.034 0.000 1.019 31 N CA 0.756 53.823 53.050 0.029 0.000 0.881 31 N CB -0.304 38.202 38.487 0.031 0.000 0.972 31 N HN 0.381 nan 8.380 nan 0.000 0.435 32 R N 0.559 121.072 120.500 0.021 0.000 2.115 32 R HA -0.038 4.301 4.340 -0.001 0.000 0.230 32 R C 2.056 178.382 176.300 0.043 0.000 1.111 32 R CA 0.580 56.696 56.100 0.028 0.000 0.976 32 R CB -0.200 30.092 30.300 -0.013 0.000 0.870 32 R HN 0.100 nan 8.270 nan 0.000 0.445 33 L N 1.168 122.396 121.223 0.009 0.000 2.046 33 L HA -0.160 4.180 4.340 -0.001 0.000 0.208 33 L C 2.000 178.847 176.870 -0.037 0.000 1.077 33 L CA 1.779 56.625 54.840 0.010 0.000 0.747 33 L CB -0.312 41.725 42.059 -0.037 0.000 0.896 33 L HN 0.056 nan 8.230 nan 0.000 0.432 34 R N -0.721 119.726 120.500 -0.089 0.000 2.075 34 R HA -0.094 4.246 4.340 -0.001 0.000 0.232 34 R C 2.376 178.629 176.300 -0.078 0.000 1.126 34 R CA 1.554 57.536 56.100 -0.197 0.000 0.963 34 R CB -0.388 29.900 30.300 -0.021 0.000 0.858 34 R HN 0.402 nan 8.270 nan 0.000 0.435 35 R N -0.170 120.366 120.500 0.059 0.000 2.091 35 R HA -0.158 4.182 4.340 -0.001 0.000 0.238 35 R C 2.121 178.525 176.300 0.174 0.000 1.136 35 R CA 1.679 57.881 56.100 0.171 0.000 0.959 35 R CB -0.407 30.032 30.300 0.231 0.000 0.856 35 R HN 0.223 nan 8.270 nan 0.000 0.437 36 F N 1.418 121.361 119.950 -0.012 0.000 2.113 36 F HA -0.151 4.375 4.527 -0.001 0.000 0.297 36 F C 1.964 177.712 175.800 -0.088 0.000 1.103 36 F CA 1.250 59.232 58.000 -0.030 0.000 1.248 36 F CB -0.024 38.945 39.000 -0.052 0.000 0.999 36 F HN -0.091 nan 8.300 nan 0.000 0.475 37 L N -0.601 120.474 121.223 -0.246 0.000 2.079 37 L HA -0.302 4.038 4.340 -0.001 0.000 0.210 37 L C 2.457 179.126 176.870 -0.336 0.000 1.081 37 L CA 1.259 55.862 54.840 -0.395 0.000 0.752 37 L CB -1.024 40.684 42.059 -0.585 0.000 0.896 37 L HN 0.347 nan 8.230 nan 0.000 0.433 38 C N -1.439 117.684 119.300 -0.295 0.000 2.492 38 C HA -0.014 4.446 4.460 -0.001 0.000 0.279 38 C C 2.350 177.004 174.990 -0.559 0.000 1.335 38 C CA 0.199 58.982 59.018 -0.391 0.000 1.734 38 C CB -0.643 26.816 27.740 -0.469 0.000 2.027 38 C HN 0.430 nan 8.230 nan 0.000 0.496 39 F N 0.201 120.063 119.950 -0.148 0.000 2.717 39 F HA 0.359 4.885 4.527 -0.001 0.000 0.297 39 F C 1.829 177.501 175.800 -0.213 0.000 1.113 39 F CA 0.656 58.556 58.000 -0.166 0.000 1.319 39 F CB -0.296 38.666 39.000 -0.062 0.000 1.097 39 F HN 0.379 nan 8.300 nan 0.000 0.595 40 G N 1.226 109.903 108.800 -0.205 0.000 2.601 40 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.261 40 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.261 40 G C 0.523 175.424 174.900 0.002 0.000 1.289 40 G CA 0.189 45.066 45.100 -0.372 0.000 0.920 40 G HN 0.591 nan 8.290 nan 0.000 0.571 41 S N -1.361 114.372 115.700 0.056 0.000 2.993 41 S HA 0.396 4.866 4.470 -0.001 0.000 0.257 41 S C 0.176 174.804 174.600 0.047 0.000 0.997 41 S CA 0.918 59.185 58.200 0.111 0.000 1.191 41 S CB 0.655 63.964 63.200 0.182 0.000 1.143 41 S HN 0.906 nan 8.310 nan 0.000 0.655 42 E N 1.443 121.658 120.200 0.025 0.000 2.415 42 E HA 0.357 4.707 4.350 -0.001 0.000 0.263 42 E C 1.250 177.863 176.600 0.022 0.000 0.995 42 E CA 1.147 57.561 56.400 0.022 0.000 0.915 42 E CB 0.075 29.789 29.700 0.024 0.000 0.951 42 E HN 0.646 nan 8.360 nan 0.000 0.449 43 G N 3.048 111.859 108.800 0.017 0.000 2.184 43 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.264 43 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.264 43 G C 0.774 175.679 174.900 0.009 0.000 0.975 43 G CA 0.343 45.450 45.100 0.012 0.000 0.642 43 G HN 1.364 nan 8.290 nan 0.000 0.536 44 G N -1.202 107.608 108.800 0.016 0.000 2.574 44 G HA2 0.254 4.214 3.960 -0.001 0.000 0.282 44 G HA3 0.254 4.214 3.960 -0.001 0.000 0.282 44 G C 0.599 175.516 174.900 0.029 0.000 1.257 44 G CA 2.007 47.120 45.100 0.021 0.000 0.956 44 G HN 2.571 nan 8.290 nan 0.000 0.560 45 T N -4.230 110.352 114.554 0.048 0.000 2.858 45 T HA 0.577 4.927 4.350 -0.001 0.000 0.285 45 T C 0.897 175.647 174.700 0.083 0.000 1.052 45 T CA 0.535 62.683 62.100 0.081 0.000 1.009 45 T CB 1.657 70.608 68.868 0.139 0.000 1.241 45 T HN 1.253 nan 8.240 nan 0.000 0.542 46 Y N 0.125 120.394 120.300 -0.052 0.000 2.139 46 Y HA -0.210 4.340 4.550 -0.001 0.000 0.282 46 Y C 1.652 177.392 175.900 -0.268 0.000 1.179 46 Y CA 1.735 59.708 58.100 -0.212 0.000 1.161 46 Y CB -0.325 37.913 38.460 -0.369 0.000 0.970 46 Y HN 0.727 nan 8.280 nan 0.000 0.511 47 Y N -0.954 119.420 120.300 0.123 0.000 2.481 47 Y HA 0.281 4.831 4.550 -0.001 0.000 0.258 47 Y C -0.019 175.896 175.900 0.025 0.000 1.103 47 Y CA -0.152 57.981 58.100 0.054 0.000 1.287 47 Y CB 0.554 39.102 38.460 0.147 0.000 1.108 47 Y HN -0.158 nan 8.280 nan 0.000 0.529 48 I N 0.674 121.343 120.570 0.165 0.000 2.418 48 I HA 0.158 4.328 4.170 -0.001 0.000 0.287 48 I C -0.037 176.102 176.117 0.037 0.000 1.008 48 I CA -1.009 60.349 61.300 0.096 0.000 1.104 48 I CB 1.431 39.489 38.000 0.096 0.000 1.264 48 I HN -0.029 nan 8.210 nan 0.000 0.438 49 E N 6.098 126.307 120.200 0.015 0.000 2.418 49 E HA -0.072 4.278 4.350 -0.001 0.000 0.261 49 E C 0.881 177.481 176.600 -0.000 0.000 1.070 49 E CA 0.389 56.787 56.400 -0.003 0.000 0.931 49 E CB 0.935 30.630 29.700 -0.008 0.000 0.954 49 E HN 0.753 nan 8.360 nan 0.000 0.439 50 E N 3.428 123.626 120.200 -0.003 0.000 2.048 50 E HA -0.278 4.072 4.350 -0.001 0.000 0.202 50 E C 1.573 178.167 176.600 -0.012 0.000 1.021 50 E CA 2.000 58.399 56.400 -0.001 0.000 0.825 50 E CB 0.101 29.801 29.700 0.000 0.000 0.756 50 E HN 0.472 nan 8.360 nan 0.000 0.454 51 K N 0.361 120.752 120.400 -0.015 0.000 2.063 51 K HA -0.203 4.117 4.320 -0.001 0.000 0.208 51 K C 2.372 178.953 176.600 -0.033 0.000 1.048 51 K CA 1.548 57.821 56.287 -0.025 0.000 0.928 51 K CB -0.207 32.284 32.500 -0.014 0.000 0.713 51 K HN 0.066 nan 8.250 nan 0.000 0.442 52 K N 1.163 121.550 120.400 -0.022 0.000 2.057 52 K HA -0.168 4.152 4.320 -0.001 0.000 0.207 52 K C 2.154 178.732 176.600 -0.037 0.000 1.049 52 K CA 1.000 57.273 56.287 -0.023 0.000 0.931 52 K CB -0.079 32.416 32.500 -0.008 0.000 0.714 52 K HN 0.005 nan 8.250 nan 0.000 0.440 53 L N 0.820 122.027 121.223 -0.026 0.000 2.093 53 L HA 0.004 4.343 4.340 -0.001 0.000 0.208 53 L C 2.129 178.959 176.870 -0.067 0.000 1.085 53 L CA 2.155 56.977 54.840 -0.030 0.000 0.755 53 L CB -0.861 41.203 42.059 0.008 0.000 0.904 53 L HN 0.296 nan 8.230 nan 0.000 0.435 54 G N -1.442 107.311 108.800 -0.079 0.000 2.402 54 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.216 54 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.216 54 G C 1.497 176.271 174.900 -0.209 0.000 1.162 54 G CA 0.771 45.769 45.100 -0.170 0.000 0.777 54 G HN 0.446 nan 8.290 nan 0.000 0.539 55 Q N 0.625 120.350 119.800 -0.124 0.000 2.124 55 Q HA -0.032 4.308 4.340 -0.001 0.000 0.202 55 Q C 2.316 178.250 176.000 -0.109 0.000 0.977 55 Q CA 1.683 57.431 55.803 -0.092 0.000 0.850 55 Q CB -0.297 28.410 28.738 -0.052 0.000 0.901 55 Q HN 0.648 nan 8.270 nan 0.000 0.429 56 E N -0.456 119.675 120.200 -0.116 0.000 2.077 56 E HA -0.176 4.173 4.350 -0.001 0.000 0.193 56 E C 1.769 178.266 176.600 -0.172 0.000 0.989 56 E CA 1.279 57.605 56.400 -0.122 0.000 0.800 56 E CB -0.126 29.505 29.700 -0.116 0.000 0.746 56 E HN 0.502 nan 8.360 nan 0.000 0.452 57 N N 0.418 118.965 118.700 -0.256 0.000 2.188 57 N HA -0.108 4.631 4.740 -0.001 0.000 0.184 57 N C 1.718 176.994 175.510 -0.390 0.000 1.018 57 N CA 1.053 53.857 53.050 -0.411 0.000 0.858 57 N CB -0.037 37.979 38.487 -0.786 0.000 0.989 57 N HN 0.096 nan 8.380 nan 0.000 0.426 58 A N 1.036 123.684 122.820 -0.286 0.000 1.930 58 A HA -0.145 4.174 4.320 -0.001 0.000 0.217 58 A C 1.923 179.443 177.584 -0.107 0.000 1.175 58 A CA 1.308 53.276 52.037 -0.115 0.000 0.627 58 A CB -0.355 18.666 19.000 0.036 0.000 0.815 58 A HN 0.288 nan 8.150 nan 0.000 0.443 59 E N -0.276 119.861 120.200 -0.105 0.000 2.106 59 E HA -0.045 4.305 4.350 -0.001 0.000 0.192 59 E C 2.268 178.817 176.600 -0.083 0.000 0.984 59 E CA 0.789 57.141 56.400 -0.080 0.000 0.806 59 E CB -0.246 29.414 29.700 -0.067 0.000 0.750 59 E HN 0.622 nan 8.360 nan 0.000 0.458 60 A N 1.170 123.926 122.820 -0.106 0.000 1.933 60 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 60 A C 2.140 179.672 177.584 -0.085 0.000 1.175 60 A CA 0.930 52.912 52.037 -0.091 0.000 0.628 60 A CB -0.434 18.504 19.000 -0.104 0.000 0.814 60 A HN 0.226 nan 8.150 nan 0.000 0.444 61 L N -0.162 120.995 121.223 -0.110 0.000 2.056 61 L HA -0.064 4.275 4.340 -0.001 0.000 0.207 61 L C 2.212 179.033 176.870 -0.082 0.000 1.078 61 L CA 1.606 56.387 54.840 -0.099 0.000 0.749 61 L CB -0.521 41.464 42.059 -0.124 0.000 0.901 61 L HN 0.396 nan 8.230 nan 0.000 0.433 62 L N -0.945 120.229 121.223 -0.081 0.000 2.131 62 L HA -0.182 4.158 4.340 -0.001 0.000 0.210 62 L C 2.744 179.584 176.870 -0.050 0.000 1.092 62 L CA 1.097 55.897 54.840 -0.067 0.000 0.759 62 L CB -0.520 41.502 42.059 -0.062 0.000 0.903 62 L HN 0.262 nan 8.230 nan 0.000 0.435 63 R N -0.034 120.439 120.500 -0.046 0.000 2.075 63 R HA -0.107 4.233 4.340 -0.001 0.000 0.232 63 R C 2.326 178.608 176.300 -0.030 0.000 1.126 63 R CA 1.058 57.138 56.100 -0.033 0.000 0.963 63 R CB -0.396 29.887 30.300 -0.029 0.000 0.858 63 R HN 0.305 nan 8.270 nan 0.000 0.435 64 L N 0.614 121.816 121.223 -0.036 0.000 2.013 64 L HA -0.242 4.098 4.340 -0.001 0.000 0.212 64 L C 2.421 179.274 176.870 -0.029 0.000 1.073 64 L CA 1.489 56.311 54.840 -0.031 0.000 0.753 64 L CB -0.435 41.602 42.059 -0.036 0.000 0.890 64 L HN 0.199 nan 8.230 nan 0.000 0.432 65 I N -0.483 120.064 120.570 -0.038 0.000 2.179 65 I HA -0.278 3.891 4.170 -0.001 0.000 0.242 65 I C 2.592 178.693 176.117 -0.027 0.000 1.088 65 I CA 1.232 62.511 61.300 -0.036 0.000 1.357 65 I CB -0.317 37.654 38.000 -0.048 0.000 1.051 65 I HN 0.255 nan 8.210 nan 0.000 0.409 66 E N 1.345 121.529 120.200 -0.027 0.000 2.171 66 E HA -0.309 4.041 4.350 -0.001 0.000 0.197 66 E C 1.423 178.015 176.600 -0.014 0.000 0.997 66 E CA 1.661 58.050 56.400 -0.020 0.000 0.810 66 E CB -0.246 29.442 29.700 -0.020 0.000 0.738 66 E HN 0.398 nan 8.360 nan 0.000 0.467 67 D N -1.483 118.909 120.400 -0.014 0.000 2.319 67 D HA 0.127 4.767 4.640 -0.001 0.000 0.230 67 D C 0.796 177.091 176.300 -0.008 0.000 1.094 67 D CA 0.832 54.827 54.000 -0.009 0.000 0.856 67 D CB -0.171 40.624 40.800 -0.008 0.000 0.915 67 D HN 0.320 nan 8.370 nan 0.000 0.517 68 G N 1.141 109.935 108.800 -0.010 0.000 2.143 68 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.249 68 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.249 68 G C 1.073 175.968 174.900 -0.008 0.000 0.981 68 G CA 0.274 45.370 45.100 -0.008 0.000 0.665 68 G HN 0.291 nan 8.290 nan 0.000 0.528 69 K N 0.729 121.122 120.400 -0.011 0.000 2.410 69 K HA 0.259 4.579 4.320 -0.001 0.000 0.200 69 K C 2.317 178.907 176.600 -0.016 0.000 1.023 69 K CA 0.621 56.902 56.287 -0.011 0.000 1.149 69 K CB -0.039 32.455 32.500 -0.010 0.000 0.859 69 K HN 0.404 nan 8.250 nan 0.000 0.514 70 G N 1.068 109.856 108.800 -0.020 0.000 2.513 70 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.219 70 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.219 70 G C 1.595 176.481 174.900 -0.023 0.000 1.160 70 G CA 1.072 46.156 45.100 -0.027 0.000 0.767 70 G HN 0.364 nan 8.290 nan 0.000 0.571 71 C N -0.116 119.175 119.300 -0.014 0.000 2.446 71 C HA 0.119 4.578 4.460 -0.001 0.000 0.279 71 C C 2.612 177.599 174.990 -0.005 0.000 1.366 71 C CA 0.856 59.869 59.018 -0.008 0.000 1.763 71 C CB -0.606 27.134 27.740 -0.002 0.000 1.929 71 C HN 0.691 nan 8.230 nan 0.000 0.509 72 E N 0.577 120.775 120.200 -0.004 0.000 2.107 72 E HA -0.135 4.214 4.350 -0.001 0.000 0.191 72 E C 2.048 178.648 176.600 0.000 0.000 0.982 72 E CA 1.000 57.401 56.400 0.003 0.000 0.809 72 E CB 0.130 29.832 29.700 0.004 0.000 0.756 72 E HN 0.409 nan 8.360 nan 0.000 0.459 73 V N 0.443 120.349 119.914 -0.012 0.000 2.261 73 V HA -0.243 3.877 4.120 -0.001 0.000 0.246 73 V C 2.384 178.465 176.094 -0.022 0.000 1.047 73 V CA 1.465 63.751 62.300 -0.022 0.000 1.015 73 V CB -0.285 31.516 31.823 -0.038 0.000 0.642 73 V HN 0.208 nan 8.190 nan 0.000 0.446 74 V N -0.187 119.712 119.914 -0.025 0.000 2.332 74 V HA -0.318 3.802 4.120 -0.001 0.000 0.248 74 V C 2.471 178.561 176.094 -0.007 0.000 1.055 74 V CA 2.290 64.574 62.300 -0.027 0.000 1.038 74 V CB -0.735 31.068 31.823 -0.033 0.000 0.651 74 V HN 0.586 nan 8.190 nan 0.000 0.450 75 Q N 0.613 120.416 119.800 0.004 0.000 2.084 75 Q HA -0.245 4.094 4.340 -0.001 0.000 0.202 75 Q C 2.068 178.094 176.000 0.044 0.000 0.978 75 Q CA 2.275 58.089 55.803 0.020 0.000 0.844 75 Q CB -0.383 28.367 28.738 0.020 0.000 0.898 75 Q HN 0.658 nan 8.270 nan 0.000 0.426 76 E N -0.071 120.158 120.200 0.048 0.000 2.051 76 E HA -0.141 4.209 4.350 -0.001 0.000 0.192 76 E C 1.810 178.479 176.600 0.116 0.000 0.991 76 E CA 1.620 58.078 56.400 0.096 0.000 0.799 76 E CB -0.391 29.339 29.700 0.050 0.000 0.748 76 E HN 0.543 nan 8.360 nan 0.000 0.449 77 I N 0.454 121.044 120.570 0.033 0.000 2.163 77 I HA -0.332 3.837 4.170 -0.001 0.000 0.243 77 I C 2.349 178.506 176.117 0.066 0.000 1.085 77 I CA 1.486 62.797 61.300 0.020 0.000 1.347 77 I CB -0.306 37.681 38.000 -0.022 0.000 1.044 77 I HN 0.098 nan 8.210 nan 0.000 0.408 78 K N 0.060 120.486 120.400 0.043 0.000 2.057 78 K HA -0.149 4.170 4.320 -0.001 0.000 0.207 78 K C 2.127 178.766 176.600 0.066 0.000 1.049 78 K CA 1.875 58.185 56.287 0.037 0.000 0.931 78 K CB -0.312 32.198 32.500 0.017 0.000 0.714 78 K HN 0.323 nan 8.250 nan 0.000 0.440 79 T N 0.861 115.472 114.554 0.095 0.000 2.708 79 T HA -0.114 4.235 4.350 -0.001 0.000 0.266 79 T C 1.554 176.313 174.700 0.097 0.000 1.037 79 T CA 1.213 63.365 62.100 0.087 0.000 1.146 79 T CB -0.292 68.635 68.868 0.098 0.000 0.865 79 T HN 0.067 nan 8.240 nan 0.000 0.435 80 F N 1.297 121.241 119.950 -0.010 0.000 2.102 80 F HA -0.106 4.420 4.527 -0.001 0.000 0.298 80 F C 2.948 178.741 175.800 -0.012 0.000 1.105 80 F CA 1.278 59.271 58.000 -0.012 0.000 1.239 80 F CB -0.733 38.255 39.000 -0.020 0.000 0.991 80 F HN 0.094 nan 8.300 nan 0.000 0.474 81 S N -0.783 115.022 115.700 0.175 0.000 2.368 81 S HA -0.265 4.205 4.470 -0.001 0.000 0.225 81 S C 2.088 176.720 174.600 0.054 0.000 1.030 81 S CA 1.515 59.769 58.200 0.088 0.000 0.999 81 S CB -0.317 62.913 63.200 0.051 0.000 0.844 81 S HN 0.393 nan 8.310 nan 0.000 0.459 82 Q N 1.159 120.981 119.800 0.037 0.000 2.079 82 Q HA -0.011 4.329 4.340 -0.001 0.000 0.200 82 Q C 1.667 177.663 176.000 -0.006 0.000 0.974 82 Q CA 1.895 57.706 55.803 0.013 0.000 0.840 82 Q CB -0.333 28.407 28.738 0.004 0.000 0.898 82 Q HN 0.676 nan 8.270 nan 0.000 0.430 83 E N -1.185 118.997 120.200 -0.031 0.000 2.502 83 E HA 0.128 4.478 4.350 -0.001 0.000 0.194 83 E C 0.456 177.017 176.600 -0.066 0.000 1.062 83 E CA 0.315 56.673 56.400 -0.069 0.000 0.867 83 E CB 0.003 29.625 29.700 -0.129 0.000 0.888 83 E HN 0.540 nan 8.360 nan 0.000 0.510 84 G N 2.298 111.088 108.800 -0.016 0.000 2.283 84 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.280 84 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.280 84 G C 0.793 175.715 174.900 0.036 0.000 1.029 84 G CA 0.493 45.610 45.100 0.028 0.000 0.840 84 G HN 0.262 nan 8.290 nan 0.000 0.505 85 R N -0.352 120.113 120.500 -0.057 0.000 2.189 85 R HA 0.221 4.560 4.340 -0.001 0.000 0.223 85 R C 1.534 177.950 176.300 0.193 0.000 1.092 85 R CA 1.230 57.267 56.100 -0.105 0.000 0.989 85 R CB 0.073 29.953 30.300 -0.699 0.000 0.876 85 R HN 0.690 nan 8.270 nan 0.000 0.457 86 A N -0.146 122.781 122.820 0.180 0.000 2.324 86 A HA 0.583 4.902 4.320 -0.001 0.000 0.330 86 A C 0.852 178.199 177.584 -0.396 0.000 1.165 86 A CA -0.121 51.903 52.037 -0.023 0.000 0.813 86 A CB 1.367 20.399 19.000 0.053 0.000 1.197 86 A HN 0.187 nan 8.150 nan 0.000 0.484 87 A N 2.011 124.347 122.820 -0.807 0.000 1.930 87 A HA 0.063 4.383 4.320 -0.001 0.000 0.217 87 A C 1.056 178.603 177.584 -0.061 0.000 1.175 87 A CA 1.282 52.906 52.037 -0.689 0.000 0.627 87 A CB -0.128 18.558 19.000 -0.523 0.000 0.815 87 A HN 0.707 nan 8.150 nan 0.000 0.443 88 K N -1.459 118.876 120.400 -0.108 0.000 2.318 88 K HA 0.377 4.696 4.320 -0.001 0.000 0.249 88 K C -0.006 176.564 176.600 -0.051 0.000 0.942 88 K CA -0.565 55.713 56.287 -0.015 0.000 0.808 88 K CB 1.700 34.179 32.500 -0.034 0.000 1.189 88 K HN 0.072 nan 8.250 nan 0.000 0.428 89 Q N 1.136 120.916 119.800 -0.033 0.000 2.398 89 Q HA -0.050 4.289 4.340 -0.001 0.000 0.204 89 Q C 0.713 176.677 176.000 -0.060 0.000 0.932 89 Q CA 1.308 57.030 55.803 -0.136 0.000 0.916 89 Q CB 0.325 28.791 28.738 -0.453 0.000 1.024 89 Q HN 0.539 nan 8.270 nan 0.000 0.504 90 E N 0.342 120.561 120.200 0.031 0.000 2.049 90 E HA -0.178 4.172 4.350 -0.001 0.000 0.198 90 E C -0.919 175.747 176.600 0.111 0.000 1.007 90 E CA 2.053 58.559 56.400 0.177 0.000 0.809 90 E CB -1.341 28.478 29.700 0.197 0.000 0.749 90 E HN 0.394 nan 8.360 nan 0.000 0.450 91 P HA -0.132 nan 4.420 nan 0.000 0.215 91 P C 1.276 178.528 177.300 -0.080 0.000 1.157 91 P CA 1.788 64.654 63.100 -0.391 0.000 0.868 91 P CB -0.071 31.108 31.700 -0.867 0.000 0.788 92 T N -0.306 114.192 114.554 -0.094 0.000 2.684 92 T HA -0.137 4.213 4.350 -0.001 0.000 0.267 92 T C 1.699 176.420 174.700 0.035 0.000 1.036 92 T CA 1.222 63.301 62.100 -0.036 0.000 1.148 92 T CB -0.961 67.871 68.868 -0.060 0.000 0.863 92 T HN 0.045 nan 8.240 nan 0.000 0.436 93 L N -0.320 120.960 121.223 0.095 0.000 2.093 93 L HA 0.002 4.342 4.340 -0.001 0.000 0.208 93 L C 2.244 179.235 176.870 0.202 0.000 1.085 93 L CA 1.115 56.097 54.840 0.236 0.000 0.755 93 L CB -0.545 41.743 42.059 0.382 0.000 0.904 93 L HN 0.212 nan 8.230 nan 0.000 0.435 94 F N 1.064 120.886 119.950 -0.214 0.000 2.102 94 F HA -0.213 4.314 4.527 -0.001 0.000 0.298 94 F C 2.449 178.109 175.800 -0.234 0.000 1.105 94 F CA 1.278 58.882 58.000 -0.661 0.000 1.239 94 F CB -0.273 38.275 39.000 -0.754 0.000 0.991 94 F HN -0.014 nan 8.300 nan 0.000 0.474 95 A N 0.169 122.979 122.820 -0.016 0.000 1.902 95 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 95 A C 2.108 179.602 177.584 -0.151 0.000 1.181 95 A CA 1.705 53.695 52.037 -0.077 0.000 0.623 95 A CB -1.240 17.815 19.000 0.092 0.000 0.818 95 A HN 0.484 nan 8.150 nan 0.000 0.443 96 L N -0.381 120.807 121.223 -0.058 0.000 2.093 96 L HA -0.031 4.308 4.340 -0.001 0.000 0.208 96 L C 2.699 179.584 176.870 0.024 0.000 1.085 96 L CA 1.959 56.788 54.840 -0.019 0.000 0.755 96 L CB -0.696 41.369 42.059 0.011 0.000 0.904 96 L HN 0.352 nan 8.230 nan 0.000 0.435 97 A N -1.191 121.635 122.820 0.009 0.000 1.877 97 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 97 A C 2.282 179.653 177.584 -0.355 0.000 1.186 97 A CA 2.023 53.928 52.037 -0.222 0.000 0.620 97 A CB -1.168 17.594 19.000 -0.397 0.000 0.822 97 A HN 0.259 nan 8.150 nan 0.000 0.443 98 V N -0.605 119.009 119.914 -0.499 0.000 2.282 98 V HA -0.372 3.748 4.120 -0.001 0.000 0.249 98 V C 2.681 178.609 176.094 -0.277 0.000 1.057 98 V CA 2.249 64.282 62.300 -0.446 0.000 1.032 98 V CB -1.048 30.455 31.823 -0.534 0.000 0.645 98 V HN 0.728 nan 8.190 nan 0.000 0.447 99 C N 0.465 119.625 119.300 -0.233 0.000 2.422 99 C HA -0.103 4.357 4.460 -0.001 0.000 0.279 99 C C 3.127 177.993 174.990 -0.207 0.000 1.305 99 C CA 1.243 60.155 59.018 -0.177 0.000 1.757 99 C CB -1.198 26.457 27.740 -0.141 0.000 1.962 99 C HN 0.772 nan 8.230 nan 0.000 0.499 100 S N 1.401 116.923 115.700 -0.297 0.000 2.507 100 S HA -0.164 4.306 4.470 -0.001 0.000 0.235 100 S C 1.298 175.716 174.600 -0.303 0.000 0.988 100 S CA 1.398 59.282 58.200 -0.526 0.000 0.944 100 S CB -0.458 62.232 63.200 -0.850 0.000 0.762 100 S HN 0.875 nan 8.310 nan 0.000 0.526 101 Q N 0.188 119.874 119.800 -0.190 0.000 2.118 101 Q HA 0.367 4.707 4.340 -0.001 0.000 0.219 101 Q C 0.632 176.588 176.000 -0.074 0.000 0.794 101 Q CA -0.278 55.470 55.803 -0.092 0.000 1.035 101 Q CB -0.750 27.925 28.738 -0.104 0.000 1.177 101 Q HN 0.630 nan 8.270 nan 0.000 0.478 102 C N -0.417 118.832 119.300 -0.086 0.000 2.641 102 C HA 0.580 5.039 4.460 -0.001 0.000 0.318 102 C C 2.232 177.201 174.990 -0.035 0.000 1.490 102 C CA 0.063 59.041 59.018 -0.067 0.000 2.260 102 C CB 0.686 28.379 27.740 -0.078 0.000 2.103 102 C HN 0.562 nan 8.230 nan 0.000 0.641 103 S N -0.706 114.976 115.700 -0.031 0.000 2.453 103 S HA -0.093 4.376 4.470 -0.001 0.000 0.231 103 S C 0.222 174.817 174.600 -0.009 0.000 1.005 103 S CA 1.223 59.413 58.200 -0.017 0.000 0.949 103 S CB -0.785 62.404 63.200 -0.018 0.000 0.774 103 S HN 0.893 nan 8.310 nan 0.000 0.510 104 D N 0.707 121.098 120.400 -0.014 0.000 2.339 104 D HA 0.361 5.000 4.640 -0.001 0.000 0.241 104 D C 1.014 177.317 176.300 0.005 0.000 1.183 104 D CA -0.235 53.761 54.000 -0.006 0.000 0.859 104 D CB 0.264 41.056 40.800 -0.013 0.000 1.067 104 D HN 0.191 nan 8.370 nan 0.000 0.484 105 I N 3.485 124.064 120.570 0.014 0.000 2.113 105 I HA -0.326 3.844 4.170 -0.001 0.000 0.242 105 I C 2.391 178.528 176.117 0.033 0.000 1.064 105 I CA 1.289 62.606 61.300 0.027 0.000 1.320 105 I CB -0.191 37.823 38.000 0.023 0.000 1.028 105 I HN 0.533 nan 8.210 nan 0.000 0.406 106 K N 0.480 120.893 120.400 0.022 0.000 2.097 106 K HA -0.173 4.146 4.320 -0.001 0.000 0.206 106 K C 1.943 178.554 176.600 0.019 0.000 1.049 106 K CA 1.966 58.266 56.287 0.022 0.000 0.933 106 K CB -0.120 32.387 32.500 0.013 0.000 0.717 106 K HN 0.252 nan 8.250 nan 0.000 0.442 107 T N 1.217 115.774 114.554 0.005 0.000 2.812 107 T HA -0.044 4.305 4.350 -0.001 0.000 0.264 107 T C 1.617 176.307 174.700 -0.016 0.000 1.042 107 T CA 1.142 63.233 62.100 -0.014 0.000 1.140 107 T CB -0.019 68.831 68.868 -0.031 0.000 0.870 107 T HN 0.309 nan 8.240 nan 0.000 0.445 108 K N 1.030 121.434 120.400 0.007 0.000 2.009 108 K HA -0.179 4.141 4.320 -0.001 0.000 0.210 108 K C 2.550 179.236 176.600 0.142 0.000 1.049 108 K CA 1.396 57.705 56.287 0.036 0.000 0.929 108 K CB -0.228 32.342 32.500 0.117 0.000 0.714 108 K HN 0.373 nan 8.250 nan 0.000 0.440 109 Q N 0.463 120.354 119.800 0.151 0.000 2.096 109 Q HA -0.179 4.160 4.340 -0.001 0.000 0.204 109 Q C 1.967 178.042 176.000 0.126 0.000 0.982 109 Q CA 1.630 57.535 55.803 0.171 0.000 0.850 109 Q CB -0.084 28.712 28.738 0.097 0.000 0.901 109 Q HN 0.340 nan 8.270 nan 0.000 0.422 110 A N 0.593 123.448 122.820 0.058 0.000 1.930 110 A HA -0.036 4.283 4.320 -0.001 0.000 0.217 110 A C 2.256 179.841 177.584 0.001 0.000 1.175 110 A CA 1.450 53.503 52.037 0.027 0.000 0.627 110 A CB -0.805 18.199 19.000 0.006 0.000 0.815 110 A HN 0.551 nan 8.150 nan 0.000 0.443 111 A N -0.793 121.999 122.820 -0.047 0.000 1.858 111 A HA -0.021 4.299 4.320 -0.001 0.000 0.216 111 A C 1.918 179.416 177.584 -0.144 0.000 1.190 111 A CA 1.599 53.551 52.037 -0.141 0.000 0.617 111 A CB -0.825 18.027 19.000 -0.248 0.000 0.827 111 A HN 0.431 nan 8.150 nan 0.000 0.443 112 F N -0.219 119.728 119.950 -0.005 0.000 2.161 112 F HA -0.147 4.380 4.527 -0.001 0.000 0.300 112 F C 2.388 178.168 175.800 -0.033 0.000 1.089 112 F CA 1.827 59.821 58.000 -0.010 0.000 1.282 112 F CB -0.435 38.574 39.000 0.015 0.000 1.010 112 F HN 0.173 nan 8.300 nan 0.000 0.485 113 R N 0.659 121.256 120.500 0.161 0.000 2.152 113 R HA -0.048 4.291 4.340 -0.001 0.000 0.232 113 R C 1.921 178.238 176.300 0.028 0.000 1.117 113 R CA 1.311 57.460 56.100 0.083 0.000 0.981 113 R CB -0.639 29.697 30.300 0.060 0.000 0.870 113 R HN 0.177 nan 8.270 nan 0.000 0.451 114 A N -0.674 122.139 122.820 -0.011 0.000 2.178 114 A HA 0.106 4.426 4.320 -0.001 0.000 0.211 114 A C 2.032 179.560 177.584 -0.094 0.000 1.157 114 A CA 0.562 52.569 52.037 -0.049 0.000 0.780 114 A CB -0.137 18.826 19.000 -0.062 0.000 0.828 114 A HN 0.156 nan 8.150 nan 0.000 0.476 115 V N 1.517 121.347 119.914 -0.140 0.000 2.282 115 V HA -0.190 3.929 4.120 -0.001 0.000 0.249 115 V C -0.149 175.937 176.094 -0.013 0.000 1.057 115 V CA 2.693 64.848 62.300 -0.242 0.000 1.032 115 V CB -1.337 30.300 31.823 -0.309 0.000 0.645 115 V HN 0.450 nan 8.190 nan 0.000 0.447 116 P HA -0.179 nan 4.420 nan 0.000 0.220 116 P C 1.492 178.785 177.300 -0.011 0.000 1.148 116 P CA 1.612 64.768 63.100 0.093 0.000 0.803 116 P CB 0.174 31.873 31.700 -0.002 0.000 0.782 117 E N -0.363 119.827 120.200 -0.016 0.000 2.127 117 E HA -0.034 4.315 4.350 -0.001 0.000 0.191 117 E C 1.859 178.466 176.600 0.011 0.000 0.964 117 E CA 0.352 56.737 56.400 -0.024 0.000 0.832 117 E CB 0.023 29.707 29.700 -0.027 0.000 0.790 117 E HN -0.093 nan 8.360 nan 0.000 0.465 118 V N 0.765 120.675 119.914 -0.006 0.000 2.667 118 V HA -0.137 3.982 4.120 -0.001 0.000 0.252 118 V C 1.067 177.186 176.094 0.042 0.000 1.065 118 V CA 0.685 62.978 62.300 -0.011 0.000 1.083 118 V CB -0.019 31.759 31.823 -0.076 0.000 0.692 118 V HN 0.362 nan 8.190 nan 0.000 0.468 119 C N 1.990 121.348 119.300 0.097 0.000 2.145 119 C HA 0.262 4.722 4.460 -0.001 0.000 0.374 119 C C 2.020 177.274 174.990 0.440 0.000 1.035 119 C CA -0.637 58.531 59.018 0.249 0.000 1.431 119 C CB -1.398 26.405 27.740 0.105 0.000 1.789 119 C HN 0.462 nan 8.230 nan 0.000 0.483 120 R N 1.916 122.693 120.500 0.462 0.000 2.075 120 R HA 0.040 4.379 4.340 -0.001 0.000 0.232 120 R C 0.835 177.210 176.300 0.126 0.000 1.126 120 R CA 1.090 57.338 56.100 0.247 0.000 0.963 120 R CB -0.013 30.434 30.300 0.246 0.000 0.858 120 R HN 0.765 nan 8.270 nan 0.000 0.435 121 I N -3.990 116.559 120.570 -0.035 0.000 3.108 121 I HA 0.383 4.553 4.170 -0.001 0.000 0.312 121 I C -2.356 173.770 176.117 0.014 0.000 1.095 121 I CA -3.049 58.220 61.300 -0.051 0.000 1.000 121 I CB 2.082 39.919 38.000 -0.273 0.000 1.229 121 I HN -0.318 nan 8.210 nan 0.000 0.454 122 P HA -0.158 nan 4.420 nan 0.000 0.216 122 P C 1.397 178.458 177.300 -0.397 0.000 1.157 122 P CA 2.276 65.253 63.100 -0.205 0.000 0.880 122 P CB -0.109 31.690 31.700 0.165 0.000 0.791 123 T N -1.987 112.516 114.554 -0.084 0.000 2.699 123 T HA -0.249 4.101 4.350 -0.001 0.000 0.268 123 T C 1.499 176.111 174.700 -0.146 0.000 1.036 123 T CA 1.687 63.777 62.100 -0.017 0.000 1.147 123 T CB -1.318 67.653 68.868 0.172 0.000 0.862 123 T HN 0.416 nan 8.240 nan 0.000 0.446 124 H N 0.291 119.276 119.070 -0.143 0.000 2.321 124 H HA 0.036 4.592 4.556 -0.001 0.000 0.300 124 H C 2.482 177.663 175.328 -0.245 0.000 1.087 124 H CA 0.828 56.808 56.048 -0.113 0.000 1.319 124 H CB -0.171 29.581 29.762 -0.017 0.000 1.379 124 H HN 0.068 nan 8.280 nan 0.000 0.501 125 L N 0.861 121.861 121.223 -0.372 0.000 2.012 125 L HA -0.212 4.128 4.340 -0.001 0.000 0.210 125 L C 1.907 178.470 176.870 -0.511 0.000 1.073 125 L CA 1.745 56.209 54.840 -0.627 0.000 0.748 125 L CB -0.922 40.293 42.059 -1.406 0.000 0.891 125 L HN 0.174 nan 8.230 nan 0.000 0.431 126 F N 0.559 120.110 119.950 -0.664 0.000 2.134 126 F HA -0.167 4.359 4.527 -0.001 0.000 0.299 126 F C 2.697 178.004 175.800 -0.822 0.000 1.097 126 F CA 1.664 59.069 58.000 -0.992 0.000 1.264 126 F CB -1.499 36.267 39.000 -2.057 0.000 1.001 126 F HN 0.089 nan 8.300 nan 0.000 0.479 127 T N 0.241 114.516 114.554 -0.465 0.000 2.777 127 T HA -0.210 4.139 4.350 -0.001 0.000 0.266 127 T C 1.792 176.391 174.700 -0.170 0.000 1.040 127 T CA 1.329 63.267 62.100 -0.270 0.000 1.141 127 T CB -0.696 68.120 68.868 -0.086 0.000 0.868 127 T HN 0.225 nan 8.240 nan 0.000 0.444 128 F N 2.150 122.034 119.950 -0.110 0.000 2.095 128 F HA -0.118 4.408 4.527 -0.001 0.000 0.298 128 F C 1.921 177.705 175.800 -0.026 0.000 1.104 128 F CA 1.051 59.063 58.000 0.020 0.000 1.232 128 F CB -0.420 38.541 39.000 -0.064 0.000 0.987 128 F HN 0.019 nan 8.300 nan 0.000 0.475 129 I N 0.442 120.908 120.570 -0.173 0.000 2.226 129 I HA -0.275 3.895 4.170 -0.001 0.000 0.245 129 I C 2.386 178.388 176.117 -0.192 0.000 1.100 129 I CA 1.465 62.619 61.300 -0.243 0.000 1.374 129 I CB -1.619 36.359 38.000 -0.037 0.000 1.057 129 I HN 0.294 nan 8.210 nan 0.000 0.413 130 Q N 0.966 120.684 119.800 -0.137 0.000 2.124 130 Q HA -0.189 4.150 4.340 -0.001 0.000 0.202 130 Q C 2.069 178.027 176.000 -0.071 0.000 0.977 130 Q CA 1.861 57.614 55.803 -0.084 0.000 0.850 130 Q CB -0.422 28.272 28.738 -0.073 0.000 0.901 130 Q HN 0.356 nan 8.270 nan 0.000 0.429 131 F N 0.491 120.396 119.950 -0.076 0.000 2.186 131 F HA -0.037 4.490 4.527 -0.001 0.000 0.299 131 F C 2.032 177.708 175.800 -0.206 0.000 1.090 131 F CA 1.160 59.120 58.000 -0.067 0.000 1.307 131 F CB -0.303 38.672 39.000 -0.042 0.000 1.019 131 F HN 0.104 nan 8.300 nan 0.000 0.489 132 K N 0.171 120.446 120.400 -0.209 0.000 2.097 132 K HA -0.200 4.119 4.320 -0.001 0.000 0.205 132 K C 2.172 178.680 176.600 -0.153 0.000 1.050 132 K CA 1.239 57.346 56.287 -0.300 0.000 0.938 132 K CB -0.175 32.018 32.500 -0.511 0.000 0.718 132 K HN 0.178 nan 8.250 nan 0.000 0.442 133 K N 1.313 121.651 120.400 -0.102 0.000 2.025 133 K HA -0.192 4.128 4.320 -0.001 0.000 0.207 133 K C 1.417 178.025 176.600 0.013 0.000 1.049 133 K CA 1.909 58.178 56.287 -0.030 0.000 0.933 133 K CB -0.029 32.479 32.500 0.013 0.000 0.714 133 K HN -0.057 nan 8.250 nan 0.000 0.438 134 D N 1.074 121.508 120.400 0.057 0.000 2.154 134 D HA -0.164 4.476 4.640 -0.001 0.000 0.190 134 D C 1.012 177.358 176.300 0.076 0.000 1.003 134 D CA 1.143 55.209 54.000 0.111 0.000 0.849 134 D CB -0.238 40.710 40.800 0.247 0.000 0.942 134 D HN 0.168 nan 8.370 nan 0.000 0.446 145 G N 0.693 109.512 108.800 0.031 0.000 2.563 145 G HA2 0.326 4.285 3.960 -0.001 0.000 0.283 145 G HA3 0.326 4.285 3.960 -0.001 0.000 0.283 145 G C 0.801 175.675 174.900 -0.042 0.000 1.309 145 G CA -0.591 44.506 45.100 -0.005 0.000 1.022 145 G HN 0.334 nan 8.290 nan 0.000 0.501 146 R N -0.386 120.079 120.500 -0.058 0.000 2.105 146 R HA -0.124 4.215 4.340 -0.001 0.000 0.239 146 R C 2.878 179.082 176.300 -0.160 0.000 1.135 146 R CA 1.494 57.552 56.100 -0.070 0.000 0.967 146 R CB -0.343 29.929 30.300 -0.047 0.000 0.861 146 R HN 0.498 nan 8.270 nan 0.000 0.442 147 A N 1.094 123.728 122.820 -0.310 0.000 1.877 147 A HA -0.135 4.185 4.320 -0.001 0.000 0.216 147 A C 2.119 179.271 177.584 -0.720 0.000 1.186 147 A CA 0.987 52.636 52.037 -0.645 0.000 0.620 147 A CB -0.522 17.823 19.000 -1.092 0.000 0.822 147 A HN 0.274 nan 8.150 nan 0.000 0.443 148 L N -0.846 120.063 121.223 -0.523 0.000 2.056 148 L HA -0.156 4.183 4.340 -0.001 0.000 0.207 148 L C 2.826 179.697 176.870 0.002 0.000 1.078 148 L CA 1.282 55.992 54.840 -0.216 0.000 0.749 148 L CB -0.352 41.524 42.059 -0.305 0.000 0.901 148 L HN 0.419 nan 8.230 nan 0.000 0.433 149 R N -0.228 120.326 120.500 0.090 0.000 2.096 149 R HA -0.217 4.123 4.340 -0.001 0.000 0.235 149 R C 2.266 178.655 176.300 0.149 0.000 1.127 149 R CA 1.343 57.577 56.100 0.222 0.000 0.968 149 R CB -0.294 30.063 30.300 0.095 0.000 0.861 149 R HN 0.330 nan 8.270 nan 0.000 0.440 150 K N 0.944 121.371 120.400 0.046 0.000 2.057 150 K HA -0.099 4.221 4.320 -0.001 0.000 0.206 150 K C 2.072 178.728 176.600 0.094 0.000 1.050 150 K CA 1.361 57.678 56.287 0.051 0.000 0.935 150 K CB -0.066 32.424 32.500 -0.016 0.000 0.715 150 K HN 0.130 nan 8.250 nan 0.000 0.439 151 A N 0.879 123.748 122.820 0.083 0.000 1.877 151 A HA -0.107 4.212 4.320 -0.001 0.000 0.216 151 A C 2.264 179.974 177.584 0.211 0.000 1.186 151 A CA 1.697 53.830 52.037 0.160 0.000 0.620 151 A CB -0.652 18.508 19.000 0.267 0.000 0.822 151 A HN 0.179 nan 8.150 nan 0.000 0.443 152 V N -0.171 119.891 119.914 0.246 0.000 2.358 152 V HA -0.196 3.923 4.120 -0.001 0.000 0.246 152 V C 2.767 179.110 176.094 0.414 0.000 1.047 152 V CA 2.232 64.721 62.300 0.315 0.000 1.035 152 V CB -0.799 31.289 31.823 0.443 0.000 0.658 152 V HN 0.549 nan 8.190 nan 0.000 0.452 153 S N -0.519 115.387 115.700 0.344 0.000 2.368 153 S HA -0.245 4.225 4.470 -0.001 0.000 0.225 153 S C 1.895 176.670 174.600 0.290 0.000 1.030 153 S CA 1.550 59.943 58.200 0.323 0.000 0.999 153 S CB -0.425 62.902 63.200 0.211 0.000 0.844 153 S HN 0.621 nan 8.310 nan 0.000 0.459 154 D N -0.362 120.172 120.400 0.222 0.000 2.117 154 D HA -0.127 4.513 4.640 -0.001 0.000 0.197 154 D C 1.589 177.981 176.300 0.153 0.000 0.987 154 D CA 0.840 54.933 54.000 0.154 0.000 0.829 154 D CB -0.080 40.791 40.800 0.119 0.000 0.961 154 D HN 0.529 nan 8.370 nan 0.000 0.460 155 W N 0.579 121.880 121.300 0.003 0.000 2.333 155 W HA -0.271 4.389 4.660 -0.001 0.000 0.316 155 W C 2.127 178.575 176.519 -0.119 0.000 1.215 155 W CA 1.621 58.900 57.345 -0.110 0.000 1.278 155 W CB -0.707 28.617 29.460 -0.226 0.000 1.154 155 W HN 0.015 nan 8.180 nan 0.000 0.486 156 Y N 0.403 120.926 120.300 0.373 0.000 2.200 156 Y HA -0.232 4.318 4.550 -0.001 0.000 0.290 156 Y C 2.439 178.334 175.900 -0.007 0.000 1.137 156 Y CA 1.733 59.949 58.100 0.194 0.000 1.163 156 Y CB -0.919 37.711 38.460 0.283 0.000 0.988 156 Y HN -0.075 nan 8.280 nan 0.000 0.518 157 N N -0.568 118.244 118.700 0.186 0.000 2.520 157 N HA -0.091 4.648 4.740 -0.001 0.000 0.185 157 N C 1.450 176.953 175.510 -0.012 0.000 1.068 157 N CA 1.604 54.702 53.050 0.081 0.000 0.911 157 N CB -0.333 38.209 38.487 0.092 0.000 0.961 157 N HN 0.465 nan 8.380 nan 0.000 0.446 158 T N -3.038 111.463 114.554 -0.088 0.000 3.069 158 T HA 0.206 4.555 4.350 -0.001 0.000 0.252 158 T C 0.653 175.216 174.700 -0.229 0.000 1.053 158 T CA -0.191 61.824 62.100 -0.143 0.000 0.964 158 T CB 0.590 69.368 68.868 -0.149 0.000 1.005 158 T HN -0.225 nan 8.240 nan 0.000 0.532 159 K N 2.223 122.450 120.400 -0.289 0.000 2.095 159 K HA 0.422 4.741 4.320 -0.001 0.000 0.252 159 K C -0.721 175.765 176.600 -0.189 0.000 0.977 159 K CA -0.702 55.385 56.287 -0.332 0.000 0.900 159 K CB 1.268 33.455 32.500 -0.521 0.000 1.060 159 K HN 0.233 nan 8.250 nan 0.000 0.449 160 D N 0.308 120.603 120.400 -0.175 0.000 2.348 160 D HA 0.193 4.832 4.640 -0.001 0.000 0.253 160 D C 0.961 177.189 176.300 -0.120 0.000 1.161 160 D CA -0.019 53.905 54.000 -0.127 0.000 0.876 160 D CB 1.103 41.828 40.800 -0.125 0.000 1.160 160 D HN 0.490 nan 8.370 nan 0.000 0.459 161 A N 3.824 126.590 122.820 -0.091 0.000 1.917 161 A HA -0.198 4.121 4.320 -0.001 0.000 0.219 161 A C 1.913 179.420 177.584 -0.128 0.000 1.182 161 A CA 1.229 53.217 52.037 -0.081 0.000 0.633 161 A CB -0.723 18.241 19.000 -0.060 0.000 0.819 161 A HN 0.675 nan 8.150 nan 0.000 0.448 162 L N 0.452 121.581 121.223 -0.155 0.000 2.046 162 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 162 L C 1.857 178.545 176.870 -0.303 0.000 1.077 162 L CA 2.235 56.928 54.840 -0.245 0.000 0.747 162 L CB -0.777 41.153 42.059 -0.214 0.000 0.896 162 L HN 0.361 nan 8.230 nan 0.000 0.432 163 N N -0.483 118.088 118.700 -0.215 0.000 2.223 163 N HA -0.171 4.568 4.740 -0.001 0.000 0.185 163 N C 1.970 177.388 175.510 -0.153 0.000 1.016 163 N CA 1.377 54.313 53.050 -0.190 0.000 0.863 163 N CB -0.308 38.089 38.487 -0.151 0.000 0.983 163 N HN 0.393 nan 8.380 nan 0.000 0.429 164 L N 0.781 121.926 121.223 -0.130 0.000 2.056 164 L HA -0.098 4.242 4.340 -0.001 0.000 0.207 164 L C 2.337 179.161 176.870 -0.077 0.000 1.078 164 L CA 0.971 55.772 54.840 -0.065 0.000 0.749 164 L CB -0.425 41.627 42.059 -0.011 0.000 0.901 164 L HN 0.110 nan 8.230 nan 0.000 0.433 165 A N -0.333 122.400 122.820 -0.145 0.000 1.940 165 A HA -0.276 4.043 4.320 -0.001 0.000 0.219 165 A C 2.217 179.739 177.584 -0.103 0.000 1.176 165 A CA 1.913 53.853 52.037 -0.161 0.000 0.631 165 A CB -0.472 18.384 19.000 -0.240 0.000 0.814 165 A HN 0.397 nan 8.150 nan 0.000 0.446 166 M N -0.744 118.706 119.600 -0.251 0.000 2.117 166 M HA -0.132 4.347 4.480 -0.001 0.000 0.262 166 M C 2.497 178.897 176.300 0.166 0.000 1.065 166 M CA 1.468 56.734 55.300 -0.057 0.000 1.114 166 M CB -0.331 32.156 32.600 -0.188 0.000 1.361 166 M HN 0.488 nan 8.290 nan 0.000 0.408 167 A N -0.010 122.849 122.820 0.064 0.000 1.872 167 A HA -0.079 4.240 4.320 -0.001 0.000 0.214 167 A C 2.125 179.793 177.584 0.140 0.000 1.187 167 A CA 1.531 53.627 52.037 0.099 0.000 0.614 167 A CB -1.125 17.941 19.000 0.110 0.000 0.826 167 A HN 0.421 nan 8.150 nan 0.000 0.442 168 V N -1.361 118.618 119.914 0.109 0.000 2.913 168 V HA -0.101 4.018 4.120 -0.001 0.000 0.260 168 V C 1.937 178.186 176.094 0.257 0.000 1.098 168 V CA 2.260 64.667 62.300 0.178 0.000 1.121 168 V CB -1.716 30.181 31.823 0.122 0.000 0.714 168 V HN 0.643 nan 8.190 nan 0.000 0.487 169 T N -2.652 112.041 114.554 0.232 0.000 3.129 169 T HA 0.223 4.572 4.350 -0.001 0.000 0.251 169 T C 0.728 175.546 174.700 0.197 0.000 1.117 169 T CA -0.105 62.157 62.100 0.271 0.000 1.034 169 T CB -0.301 68.725 68.868 0.262 0.000 0.968 169 T HN 0.593 nan 8.240 nan 0.000 0.526 170 K N 1.724 122.128 120.400 0.007 0.000 2.168 170 K HA 0.342 4.661 4.320 -0.001 0.000 0.258 170 K C -0.175 176.383 176.600 -0.070 0.000 1.010 170 K CA -0.950 55.181 56.287 -0.261 0.000 0.929 170 K CB 0.409 32.671 32.500 -0.396 0.000 0.998 170 K HN 0.530 nan 8.250 nan 0.000 0.479 171 Y N -0.293 119.991 120.300 -0.027 0.000 2.597 171 Y HA 0.042 4.592 4.550 -0.001 0.000 0.336 171 Y C -0.136 175.783 175.900 0.031 0.000 1.216 171 Y CA -0.612 57.494 58.100 0.011 0.000 1.463 171 Y CB 0.292 38.748 38.460 -0.007 0.000 1.303 171 Y HN 0.231 nan 8.280 nan 0.000 0.576 172 K N 3.434 124.009 120.400 0.291 0.000 2.154 172 K HA 0.266 4.586 4.320 -0.001 0.000 0.264 172 K C -0.339 176.369 176.600 0.180 0.000 1.008 172 K CA -0.859 55.545 56.287 0.196 0.000 0.937 172 K CB 0.742 33.318 32.500 0.127 0.000 1.002 172 K HN 0.673 nan 8.250 nan 0.000 0.469 173 Q N 1.215 121.066 119.800 0.085 0.000 2.348 173 Q HA 0.262 4.601 4.340 -0.001 0.000 0.271 173 Q C -0.425 175.524 176.000 -0.084 0.000 1.067 173 Q CA -0.675 55.131 55.803 0.005 0.000 0.839 173 Q CB 1.994 30.715 28.738 -0.028 0.000 1.354 173 Q HN 0.423 nan 8.270 nan 0.000 0.447 174 R N 2.041 122.479 120.500 -0.105 0.000 4.496 174 R HA 0.059 4.399 4.340 -0.001 0.000 0.211 174 R C 0.189 176.368 176.300 -0.203 0.000 1.738 174 R CA 0.033 56.059 56.100 -0.124 0.000 1.528 174 R CB -0.365 29.881 30.300 -0.091 0.000 1.414 174 R HN 0.452 nan 8.270 nan 0.000 0.812 175 N N -0.795 117.716 118.700 -0.316 0.000 2.187 175 N HA 0.078 4.818 4.740 -0.001 0.000 0.212 175 N C 1.019 176.228 175.510 -0.502 0.000 1.152 175 N CA 0.279 53.008 53.050 -0.536 0.000 0.872 175 N CB 1.062 38.961 38.487 -0.980 0.000 1.025 175 N HN 0.294 nan 8.380 nan 0.000 0.514 176 G N -0.982 107.667 108.800 -0.251 0.000 2.184 176 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.264 176 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.264 176 G C -0.765 174.136 174.900 0.002 0.000 0.975 176 G CA 0.116 45.158 45.100 -0.097 0.000 0.642 176 G HN 0.278 nan 8.290 nan 0.000 0.536 177 W N 1.537 122.592 121.300 -0.408 0.000 2.387 177 W HA 0.734 5.393 4.660 -0.001 0.000 0.310 177 W C 0.509 176.560 176.519 -0.779 0.000 1.181 177 W CA -0.964 55.849 57.345 -0.887 0.000 1.333 177 W CB 0.822 29.353 29.460 -1.549 0.000 1.286 177 W HN 0.340 nan 8.180 nan 0.000 0.455 178 S N 2.398 117.965 115.700 -0.221 0.000 2.594 178 S HA 0.291 4.760 4.470 -0.001 0.000 0.296 178 S C 0.475 175.214 174.600 0.231 0.000 1.124 178 S CA -0.466 57.739 58.200 0.009 0.000 1.011 178 S CB 0.637 63.868 63.200 0.051 0.000 1.016 178 S HN 0.481 nan 8.310 nan 0.000 0.485 179 H N 3.055 122.368 119.070 0.405 0.000 2.389 179 H HA 0.026 4.581 4.556 -0.001 0.000 0.299 179 H C 2.060 177.509 175.328 0.202 0.000 1.081 179 H CA 1.970 58.260 56.048 0.403 0.000 1.345 179 H CB 0.202 30.194 29.762 0.383 0.000 1.393 179 H HN 0.654 nan 8.280 nan 0.000 0.520 180 K N 0.550 121.103 120.400 0.255 0.000 2.063 180 K HA -0.197 4.123 4.320 -0.001 0.000 0.208 180 K C 1.262 177.910 176.600 0.080 0.000 1.048 180 K CA 1.993 58.357 56.287 0.128 0.000 0.928 180 K CB 0.089 32.644 32.500 0.090 0.000 0.713 180 K HN 0.252 nan 8.250 nan 0.000 0.442 181 D N 0.753 121.206 120.400 0.089 0.000 2.097 181 D HA -0.139 4.501 4.640 -0.001 0.000 0.197 181 D C 2.016 178.312 176.300 -0.006 0.000 0.984 181 D CA 1.036 55.053 54.000 0.029 0.000 0.826 181 D CB -0.138 40.689 40.800 0.045 0.000 0.973 181 D HN 0.247 nan 8.370 nan 0.000 0.460 182 L N 0.340 121.634 121.223 0.119 0.000 2.046 182 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 182 L C 2.564 179.477 176.870 0.071 0.000 1.077 182 L CA 0.629 55.558 54.840 0.148 0.000 0.747 182 L CB -0.457 41.834 42.059 0.386 0.000 0.896 182 L HN 0.042 nan 8.230 nan 0.000 0.432 183 L N -0.475 120.756 121.223 0.012 0.000 2.131 183 L HA -0.204 4.135 4.340 -0.001 0.000 0.210 183 L C 2.845 179.696 176.870 -0.032 0.000 1.092 183 L CA 1.137 55.922 54.840 -0.092 0.000 0.759 183 L CB -0.462 41.510 42.059 -0.146 0.000 0.903 183 L HN 0.285 nan 8.230 nan 0.000 0.435 184 R N 0.516 120.991 120.500 -0.041 0.000 2.057 184 R HA -0.060 4.280 4.340 -0.001 0.000 0.224 184 R C 2.345 178.620 176.300 -0.042 0.000 1.136 184 R CA 0.893 56.972 56.100 -0.035 0.000 0.968 184 R CB -0.083 30.186 30.300 -0.053 0.000 0.863 184 R HN 0.261 nan 8.270 nan 0.000 0.433 185 L N 0.950 122.003 121.223 -0.284 0.000 2.131 185 L HA -0.116 4.224 4.340 -0.001 0.000 0.210 185 L C 2.423 178.953 176.870 -0.567 0.000 1.092 185 L CA 1.473 55.906 54.840 -0.679 0.000 0.759 185 L CB -0.313 40.813 42.059 -1.556 0.000 0.903 185 L HN 0.339 nan 8.230 nan 0.000 0.435 186 S N -2.092 113.470 115.700 -0.229 0.000 2.527 186 S HA -0.130 4.340 4.470 -0.001 0.000 0.222 186 S C 0.811 175.481 174.600 0.116 0.000 0.985 186 S CA 0.112 58.352 58.200 0.067 0.000 0.921 186 S CB -0.515 62.838 63.200 0.254 0.000 0.772 186 S HN 0.602 nan 8.310 nan 0.000 0.529 187 H N -0.023 119.045 119.070 -0.003 0.000 2.861 187 H HA -0.136 4.420 4.556 -0.001 0.000 0.289 187 H C 0.264 175.611 175.328 0.033 0.000 1.176 187 H CA 0.299 56.352 56.048 0.008 0.000 1.146 187 H CB -1.938 27.837 29.762 0.022 0.000 1.330 187 H HN 0.573 nan 8.280 nan 0.000 0.379 188 I N 1.533 122.195 120.570 0.154 0.000 3.003 188 I HA -0.074 4.095 4.170 -0.001 0.000 0.294 188 I C 0.819 176.986 176.117 0.083 0.000 1.237 188 I CA 0.912 62.285 61.300 0.121 0.000 1.417 188 I CB 0.276 38.335 38.000 0.099 0.000 1.340 188 I HN 0.214 nan 8.210 nan 0.000 0.594 189 K N 8.463 128.912 120.400 0.082 0.000 2.527 189 K HA 0.472 4.791 4.320 -0.001 0.000 0.240 189 K C -2.498 174.139 176.600 0.062 0.000 0.989 189 K CA -1.703 54.620 56.287 0.060 0.000 0.985 189 K CB 1.093 33.626 32.500 0.056 0.000 1.221 189 K HN 0.288 nan 8.250 nan 0.000 0.458 190 P HA -0.105 nan 4.420 nan 0.000 0.259 190 P C -0.143 177.189 177.300 0.054 0.000 1.163 190 P CA 0.304 63.439 63.100 0.058 0.000 0.760 190 P CB 1.057 32.789 31.700 0.054 0.000 0.762 191 A N 3.637 126.489 122.820 0.054 0.000 2.123 191 A HA 0.026 4.346 4.320 -0.001 0.000 0.214 191 A C 0.692 178.297 177.584 0.034 0.000 1.152 191 A CA 1.017 53.079 52.037 0.042 0.000 0.728 191 A CB -0.727 18.296 19.000 0.038 0.000 0.814 191 A HN 0.763 nan 8.150 nan 0.000 0.464 192 N N -3.003 115.719 118.700 0.037 0.000 2.525 192 N HA 0.397 5.137 4.740 -0.001 0.000 0.270 192 N C -0.061 175.478 175.510 0.048 0.000 1.321 192 N CA -0.394 52.676 53.050 0.033 0.000 0.797 192 N CB 0.832 39.329 38.487 0.017 0.000 1.529 192 N HN -0.155 nan 8.380 nan 0.000 0.491 193 E N 0.397 120.631 120.200 0.057 0.000 2.118 193 E HA -0.037 4.312 4.350 -0.001 0.000 0.195 193 E C 1.761 178.398 176.600 0.061 0.000 0.992 193 E CA 2.113 58.569 56.400 0.092 0.000 0.804 193 E CB -0.790 28.977 29.700 0.113 0.000 0.741 193 E HN 0.789 nan 8.360 nan 0.000 0.458 194 G N 0.454 109.262 108.800 0.014 0.000 2.418 194 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.217 194 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.217 194 G C 1.485 176.383 174.900 -0.005 0.000 1.158 194 G CA 0.942 46.026 45.100 -0.025 0.000 0.771 194 G HN 0.358 nan 8.290 nan 0.000 0.545 195 L N 0.815 122.050 121.223 0.021 0.000 2.109 195 L HA 0.080 4.419 4.340 -0.001 0.000 0.207 195 L C 2.841 179.745 176.870 0.058 0.000 1.086 195 L CA 2.305 57.169 54.840 0.040 0.000 0.760 195 L CB -0.890 41.200 42.059 0.052 0.000 0.910 195 L HN 0.155 nan 8.230 nan 0.000 0.437 196 T N -0.323 114.278 114.554 0.079 0.000 2.746 196 T HA -0.261 4.089 4.350 -0.001 0.000 0.267 196 T C 1.868 176.663 174.700 0.158 0.000 1.039 196 T CA 2.016 64.184 62.100 0.114 0.000 1.142 196 T CB -0.258 68.696 68.868 0.143 0.000 0.866 196 T HN 0.418 nan 8.240 nan 0.000 0.444 197 M N 0.774 120.457 119.600 0.138 0.000 2.086 197 M HA -0.099 4.381 4.480 -0.001 0.000 0.261 197 M C 2.158 178.529 176.300 0.118 0.000 1.067 197 M CA 1.613 56.962 55.300 0.083 0.000 1.116 197 M CB -0.245 32.204 32.600 -0.252 0.000 1.348 197 M HN 0.081 nan 8.290 nan 0.000 0.407 198 V N 0.902 120.860 119.914 0.073 0.000 2.427 198 V HA -0.206 3.914 4.120 -0.001 0.000 0.248 198 V C 2.687 178.879 176.094 0.163 0.000 1.051 198 V CA 1.735 64.099 62.300 0.107 0.000 1.048 198 V CB -1.422 30.424 31.823 0.037 0.000 0.666 198 V HN 0.647 nan 8.190 nan 0.000 0.456 199 A N -0.204 122.677 122.820 0.102 0.000 1.933 199 A HA -0.251 4.068 4.320 -0.001 0.000 0.218 199 A C 2.354 180.004 177.584 0.109 0.000 1.175 199 A CA 2.110 54.186 52.037 0.065 0.000 0.628 199 A CB -0.428 18.582 19.000 0.017 0.000 0.814 199 A HN 0.518 nan 8.150 nan 0.000 0.444 200 K N -1.789 118.703 120.400 0.154 0.000 2.103 200 K HA -0.165 4.154 4.320 -0.001 0.000 0.204 200 K C 1.899 178.617 176.600 0.196 0.000 1.052 200 K CA 1.443 57.826 56.287 0.161 0.000 0.945 200 K CB -0.342 32.282 32.500 0.206 0.000 0.722 200 K HN 0.549 nan 8.250 nan 0.000 0.443 201 Y N 0.863 121.244 120.300 0.135 0.000 2.181 201 Y HA -0.239 4.310 4.550 -0.001 0.000 0.288 201 Y C 1.768 177.748 175.900 0.135 0.000 1.146 201 Y CA 1.516 59.718 58.100 0.169 0.000 1.164 201 Y CB -0.051 38.515 38.460 0.176 0.000 0.982 201 Y HN -0.163 nan 8.280 nan 0.000 0.515 202 V N -0.947 119.078 119.914 0.185 0.000 2.379 202 V HA -0.230 3.889 4.120 -0.001 0.000 0.245 202 V C 2.251 178.365 176.094 0.033 0.000 1.044 202 V CA 2.114 64.473 62.300 0.098 0.000 1.036 202 V CB -0.574 31.352 31.823 0.173 0.000 0.664 202 V HN 0.383 nan 8.190 nan 0.000 0.453 203 S N -0.721 115.006 115.700 0.044 0.000 2.406 203 S HA -0.016 4.454 4.470 -0.001 0.000 0.224 203 S C 1.877 176.482 174.600 0.007 0.000 1.030 203 S CA 0.706 58.921 58.200 0.024 0.000 0.958 203 S CB -0.006 63.208 63.200 0.024 0.000 0.811 203 S HN 0.435 nan 8.310 nan 0.000 0.489 204 K N 0.261 120.667 120.400 0.010 0.000 2.306 204 K HA 0.414 4.733 4.320 -0.001 0.000 0.200 204 K C 1.046 177.636 176.600 -0.016 0.000 1.083 204 K CA 0.773 57.062 56.287 0.004 0.000 0.959 204 K CB -0.063 32.450 32.500 0.022 0.000 0.994 204 K HN 0.372 nan 8.250 nan 0.000 0.492 205 G N 0.293 109.070 108.800 -0.038 0.000 2.406 205 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.680 205 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.680 205 G C -0.057 174.890 174.900 0.078 0.000 1.338 205 G CA -0.243 44.813 45.100 -0.072 0.000 0.941 205 G HN 0.189 nan 8.290 nan 0.000 0.633 206 W N 1.176 122.416 121.300 -0.101 0.000 2.338 206 W HA -0.139 4.521 4.660 -0.000 0.000 0.304 206 W C 2.230 178.803 176.519 0.090 0.000 1.212 206 W CA 2.022 59.430 57.345 0.106 0.000 1.264 206 W CB 0.065 29.615 29.460 0.150 0.000 1.142 206 W HN 0.758 nan 8.180 nan 0.000 0.512 207 K N 0.585 120.944 120.400 -0.069 0.000 2.032 207 K HA -0.264 4.056 4.320 -0.001 0.000 0.209 207 K C 1.683 178.173 176.600 -0.184 0.000 1.048 207 K CA 2.324 58.487 56.287 -0.206 0.000 0.927 207 K CB -0.201 32.255 32.500 -0.074 0.000 0.712 207 K HN -0.001 nan 8.250 nan 0.000 0.441 208 E N 0.374 120.529 120.200 -0.074 0.000 2.077 208 E HA -0.147 4.202 4.350 -0.001 0.000 0.193 208 E C 1.973 178.561 176.600 -0.020 0.000 0.989 208 E CA 1.145 57.522 56.400 -0.039 0.000 0.800 208 E CB -0.286 29.416 29.700 0.004 0.000 0.746 208 E HN 0.086 nan 8.360 nan 0.000 0.452 209 V N 1.132 121.059 119.914 0.021 0.000 2.295 209 V HA -0.322 3.798 4.120 -0.001 0.000 0.246 209 V C 2.256 178.338 176.094 -0.021 0.000 1.049 209 V CA 2.052 64.431 62.300 0.131 0.000 1.024 209 V CB -0.580 31.405 31.823 0.271 0.000 0.648 209 V HN 0.308 nan 8.190 nan 0.000 0.447 210 Q N -0.603 118.943 119.800 -0.424 0.000 2.077 210 Q HA -0.272 4.067 4.340 -0.001 0.000 0.206 210 Q C 2.404 178.300 176.000 -0.173 0.000 0.989 210 Q CA 1.837 57.377 55.803 -0.438 0.000 0.853 210 Q CB -0.271 28.057 28.738 -0.683 0.000 0.907 210 Q HN 0.625 nan 8.270 nan 0.000 0.418 211 E N 0.244 120.351 120.200 -0.154 0.000 2.106 211 E HA -0.138 4.212 4.350 -0.001 0.000 0.192 211 E C 1.838 178.380 176.600 -0.095 0.000 0.984 211 E CA 0.951 57.289 56.400 -0.104 0.000 0.806 211 E CB 0.049 29.692 29.700 -0.095 0.000 0.750 211 E HN 0.318 nan 8.360 nan 0.000 0.458 212 A N -0.312 122.448 122.820 -0.100 0.000 2.014 212 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 212 A C 1.182 178.520 177.584 -0.410 0.000 1.163 212 A CA 0.847 52.740 52.037 -0.240 0.000 0.652 212 A CB -0.363 18.477 19.000 -0.266 0.000 0.808 212 A HN 0.285 nan 8.150 nan 0.000 0.449 213 Y N -0.897 119.373 120.300 -0.050 0.000 2.607 213 Y HA 0.331 4.881 4.550 -0.001 0.000 0.266 213 Y C 0.545 176.425 175.900 -0.033 0.000 1.178 213 Y CA -0.407 57.676 58.100 -0.030 0.000 1.226 213 Y CB 0.204 38.659 38.460 -0.009 0.000 1.144 213 Y HN 0.022 nan 8.280 nan 0.000 0.528 214 K N 1.223 121.641 120.400 0.030 0.000 2.234 214 K HA 0.155 4.475 4.320 -0.001 0.000 0.282 214 K C 0.436 177.038 176.600 0.003 0.000 1.039 214 K CA 0.305 56.600 56.287 0.013 0.000 0.928 214 K CB 0.371 32.859 32.500 -0.021 0.000 1.039 214 K HN 0.092 nan 8.250 nan 0.000 0.470 215 E N 0.301 120.510 120.200 0.017 0.000 4.129 215 E HA -0.231 4.118 4.350 -0.001 0.000 0.354 215 E C -0.756 175.853 176.600 0.014 0.000 0.673 215 E CA 0.839 57.244 56.400 0.009 0.000 1.347 215 E CB -1.321 28.374 29.700 -0.009 0.000 1.722 215 E HN 0.659 nan 8.360 nan 0.000 0.410 216 K N 1.430 121.849 120.400 0.033 0.000 2.205 216 K HA 0.218 4.537 4.320 -0.001 0.000 0.279 216 K C -0.016 176.627 176.600 0.072 0.000 1.027 216 K CA -0.243 56.071 56.287 0.044 0.000 0.932 216 K CB 0.698 33.228 32.500 0.051 0.000 1.032 216 K HN -0.115 nan 8.250 nan 0.000 0.466 217 E N 4.517 124.749 120.200 0.053 0.000 2.166 217 E HA 0.135 4.484 4.350 -0.001 0.000 0.279 217 E C -1.191 175.452 176.600 0.073 0.000 1.095 217 E CA -0.022 56.409 56.400 0.052 0.000 0.888 217 E CB 0.255 29.975 29.700 0.033 0.000 1.041 217 E HN 0.382 nan 8.360 nan 0.000 0.414 218 L N 3.324 124.591 121.223 0.074 0.000 2.342 218 L HA 0.466 4.806 4.340 -0.001 0.000 0.271 218 L C 0.290 177.188 176.870 0.047 0.000 1.008 218 L CA -1.232 53.654 54.840 0.076 0.000 0.818 218 L CB 1.939 44.049 42.059 0.085 0.000 1.296 218 L HN 0.575 nan 8.230 nan 0.000 0.427 219 S N 1.221 116.944 115.700 0.038 0.000 2.589 219 S HA 0.232 4.701 4.470 -0.001 0.000 0.265 219 S C -1.639 172.972 174.600 0.019 0.000 1.342 219 S CA -0.889 57.326 58.200 0.024 0.000 1.005 219 S CB 0.614 63.825 63.200 0.017 0.000 0.909 219 S HN 0.568 nan 8.310 nan 0.000 0.555 220 P HA -0.084 nan 4.420 nan 0.000 0.220 220 P C 0.978 178.281 177.300 0.006 0.000 1.148 220 P CA 0.988 64.095 63.100 0.012 0.000 0.803 220 P CB 0.091 31.796 31.700 0.007 0.000 0.782 221 E N -0.205 119.994 120.200 -0.001 0.000 2.072 221 E HA -0.065 4.284 4.350 -0.001 0.000 0.190 221 E C 2.074 178.664 176.600 -0.016 0.000 0.982 221 E CA 1.327 57.720 56.400 -0.011 0.000 0.803 221 E CB -1.256 28.435 29.700 -0.016 0.000 0.755 221 E HN 0.240 nan 8.360 nan 0.000 0.453 222 T N 1.217 115.765 114.554 -0.011 0.000 2.867 222 T HA -0.132 4.217 4.350 -0.001 0.000 0.268 222 T C 1.781 176.461 174.700 -0.032 0.000 1.057 222 T CA 1.391 63.475 62.100 -0.027 0.000 1.136 222 T CB -0.049 68.814 68.868 -0.007 0.000 0.874 222 T HN 0.077 nan 8.240 nan 0.000 0.466 223 E N 1.636 121.836 120.200 -0.001 0.000 2.077 223 E HA -0.086 4.264 4.350 -0.001 0.000 0.193 223 E C 2.097 178.714 176.600 0.028 0.000 0.989 223 E CA 1.354 57.763 56.400 0.016 0.000 0.800 223 E CB -0.110 29.609 29.700 0.032 0.000 0.746 223 E HN 0.351 nan 8.360 nan 0.000 0.452 224 K N -0.473 119.943 120.400 0.028 0.000 2.152 224 K HA -0.109 4.211 4.320 -0.001 0.000 0.206 224 K C 2.031 178.667 176.600 0.060 0.000 1.048 224 K CA 1.276 57.596 56.287 0.055 0.000 0.933 224 K CB -0.053 32.464 32.500 0.029 0.000 0.721 224 K HN 0.055 nan 8.250 nan 0.000 0.447 225 V N 1.340 121.253 119.914 -0.001 0.000 2.307 225 V HA -0.228 3.891 4.120 -0.001 0.000 0.245 225 V C 2.131 178.225 176.094 0.000 0.000 1.045 225 V CA 1.364 63.648 62.300 -0.027 0.000 1.024 225 V CB -0.370 31.404 31.823 -0.081 0.000 0.651 225 V HN 0.260 nan 8.190 nan 0.000 0.449 226 L N 0.123 121.336 121.223 -0.017 0.000 2.046 226 L HA -0.114 4.225 4.340 -0.001 0.000 0.208 226 L C 2.401 179.320 176.870 0.082 0.000 1.077 226 L CA 1.949 56.809 54.840 0.032 0.000 0.747 226 L CB -0.696 41.361 42.059 -0.003 0.000 0.896 226 L HN 0.128 nan 8.230 nan 0.000 0.432 227 K N -1.230 119.213 120.400 0.072 0.000 2.148 227 K HA -0.191 4.129 4.320 -0.001 0.000 0.204 227 K C 2.125 178.656 176.600 -0.115 0.000 1.050 227 K CA 1.570 57.888 56.287 0.051 0.000 0.942 227 K CB -0.775 31.818 32.500 0.155 0.000 0.724 227 K HN 0.459 nan 8.250 nan 0.000 0.446 228 Y N 1.739 121.945 120.300 -0.157 0.000 2.163 228 Y HA -0.113 4.437 4.550 -0.001 0.000 0.288 228 Y C 2.017 177.652 175.900 -0.442 0.000 1.136 228 Y CA 1.221 59.143 58.100 -0.296 0.000 1.147 228 Y CB -0.296 38.081 38.460 -0.139 0.000 0.987 228 Y HN -0.120 nan 8.280 nan 0.000 0.509 229 L N 0.248 121.318 121.223 -0.255 0.000 2.042 229 L HA -0.242 4.098 4.340 -0.001 0.000 0.210 229 L C 2.584 178.915 176.870 -0.899 0.000 1.076 229 L CA 1.974 56.471 54.840 -0.571 0.000 0.749 229 L CB -0.673 41.094 42.059 -0.486 0.000 0.893 229 L HN 0.326 nan 8.230 nan 0.000 0.432 230 E N 0.356 120.157 120.200 -0.665 0.000 2.085 230 E HA -0.272 4.078 4.350 -0.001 0.000 0.194 230 E C 2.213 178.483 176.600 -0.550 0.000 0.994 230 E CA 1.310 57.398 56.400 -0.519 0.000 0.801 230 E CB 0.013 29.691 29.700 -0.038 0.000 0.743 230 E HN 0.479 nan 8.360 nan 0.000 0.453 231 A N 0.583 122.972 122.820 -0.718 0.000 1.902 231 A HA -0.209 4.110 4.320 -0.001 0.000 0.217 231 A C 2.432 179.611 177.584 -0.675 0.000 1.181 231 A CA 2.490 54.028 52.037 -0.832 0.000 0.623 231 A CB -1.219 16.845 19.000 -1.560 0.000 0.818 231 A HN 0.533 nan 8.150 nan 0.000 0.443 232 T N -2.532 111.560 114.554 -0.770 0.000 2.915 232 T HA -0.095 4.255 4.350 -0.001 0.000 0.269 232 T C 1.504 175.987 174.700 -0.362 0.000 1.071 232 T CA 1.407 63.184 62.100 -0.539 0.000 1.132 232 T CB -0.238 68.342 68.868 -0.480 0.000 0.878 232 T HN 0.451 nan 8.240 nan 0.000 0.479 233 E N 1.074 120.985 120.200 -0.481 0.000 2.158 233 E HA 0.014 4.364 4.350 -0.001 0.000 0.191 233 E C 2.340 178.820 176.600 -0.200 0.000 0.982 233 E CA 0.630 56.800 56.400 -0.384 0.000 0.823 233 E CB -0.232 29.023 29.700 -0.741 0.000 0.766 233 E HN 0.475 nan 8.360 nan 0.000 0.468 234 R N 1.003 121.378 120.500 -0.208 0.000 2.115 234 R HA -0.074 4.265 4.340 -0.001 0.000 0.230 234 R C 2.198 178.461 176.300 -0.061 0.000 1.111 234 R CA 0.690 56.728 56.100 -0.104 0.000 0.976 234 R CB -0.492 29.736 30.300 -0.119 0.000 0.870 234 R HN -0.058 nan 8.270 nan 0.000 0.445 235 V N 1.341 121.203 119.914 -0.086 0.000 2.282 235 V HA -0.337 3.782 4.120 -0.001 0.000 0.249 235 V C 1.960 178.130 176.094 0.126 0.000 1.057 235 V CA 2.356 64.659 62.300 0.006 0.000 1.032 235 V CB -0.425 31.399 31.823 0.002 0.000 0.645 235 V HN 0.425 nan 8.190 nan 0.000 0.447 236 K N -0.400 120.033 120.400 0.055 0.000 2.283 236 K HA -0.116 4.203 4.320 -0.001 0.000 0.202 236 K C 1.968 178.599 176.600 0.051 0.000 1.048 236 K CA 0.853 57.170 56.287 0.051 0.000 0.948 236 K CB -0.141 32.372 32.500 0.021 0.000 0.742 236 K HN 0.207 nan 8.250 nan 0.000 0.458 237 R N 0.480 121.009 120.500 0.048 0.000 2.356 237 R HA 0.128 4.468 4.340 -0.001 0.000 0.234 237 R C -0.198 176.137 176.300 0.057 0.000 0.929 237 R CA 0.258 56.386 56.100 0.046 0.000 1.084 237 R CB 0.546 30.869 30.300 0.040 0.000 1.105 237 R HN -0.024 nan 8.270 nan 0.000 0.515 238 T N -1.244 113.367 114.554 0.095 0.000 2.889 238 T HA 0.317 4.666 4.350 -0.001 0.000 0.315 238 T C -0.682 174.149 174.700 0.217 0.000 1.291 238 T CA -0.826 61.336 62.100 0.103 0.000 1.028 238 T CB 1.074 69.974 68.868 0.054 0.000 1.235 238 T HN 0.240 nan 8.240 nan 0.000 0.491 239 K N 1.303 121.799 120.400 0.161 0.000 2.469 239 K HA 0.310 4.629 4.320 -0.001 0.000 0.204 239 K C -0.258 176.413 176.600 0.119 0.000 1.047 239 K CA -0.515 55.899 56.287 0.212 0.000 1.072 239 K CB 0.439 33.012 32.500 0.122 0.000 0.863 239 K HN 0.348 nan 8.250 nan 0.000 0.530 240 D N 2.676 123.110 120.400 0.057 0.000 2.338 240 D HA 0.023 4.662 4.640 -0.001 0.000 0.255 240 D C 0.431 176.719 176.300 -0.019 0.000 1.237 240 D CA 0.146 54.158 54.000 0.019 0.000 0.883 240 D CB 1.107 41.913 40.800 0.009 0.000 1.087 240 D HN 0.230 nan 8.370 nan 0.000 0.485 241 E N 2.685 122.882 120.200 -0.005 0.000 2.097 241 E HA -0.192 4.157 4.350 -0.001 0.000 0.196 241 E C 1.871 178.452 176.600 -0.031 0.000 1.000 241 E CA 0.954 57.338 56.400 -0.026 0.000 0.804 241 E CB 0.102 29.808 29.700 0.012 0.000 0.740 241 E HN 0.606 nan 8.360 nan 0.000 0.454 242 L N 0.648 121.866 121.223 -0.010 0.000 2.083 242 L HA -0.199 4.140 4.340 -0.001 0.000 0.209 242 L C 2.653 179.529 176.870 0.010 0.000 1.083 242 L CA 1.194 56.035 54.840 0.001 0.000 0.752 242 L CB -0.340 41.720 42.059 0.002 0.000 0.899 242 L HN 0.195 nan 8.230 nan 0.000 0.433 243 E N 0.537 120.733 120.200 -0.008 0.000 2.072 243 E HA -0.216 4.134 4.350 -0.001 0.000 0.191 243 E C 2.275 178.875 176.600 -0.001 0.000 0.985 243 E CA 0.975 57.379 56.400 0.006 0.000 0.801 243 E CB 0.203 29.895 29.700 -0.014 0.000 0.750 243 E HN 0.288 nan 8.360 nan 0.000 0.452 244 I N 1.310 121.823 120.570 -0.094 0.000 2.252 244 I HA -0.236 3.933 4.170 -0.001 0.000 0.245 244 I C 2.435 178.492 176.117 -0.100 0.000 1.102 244 I CA 1.110 62.304 61.300 -0.176 0.000 1.385 244 I CB -0.902 36.859 38.000 -0.398 0.000 1.064 244 I HN 0.287 nan 8.210 nan 0.000 0.414 245 I N 0.204 120.738 120.570 -0.059 0.000 2.264 245 I HA -0.361 3.809 4.170 -0.001 0.000 0.248 245 I C 2.673 178.786 176.117 -0.007 0.000 1.111 245 I CA 1.492 62.772 61.300 -0.033 0.000 1.382 245 I CB -0.542 37.452 38.000 -0.009 0.000 1.060 245 I HN 0.292 nan 8.210 nan 0.000 0.418 246 H N 1.093 120.138 119.070 -0.042 0.000 2.421 246 H HA -0.117 4.439 4.556 -0.001 0.000 0.298 246 H C 2.082 177.410 175.328 -0.000 0.000 1.087 246 H CA 1.597 57.630 56.048 -0.025 0.000 1.330 246 H CB -0.021 29.732 29.762 -0.015 0.000 1.388 246 H HN 0.221 nan 8.280 nan 0.000 0.526 247 L N -0.446 120.750 121.223 -0.045 0.000 2.093 247 L HA -0.098 4.242 4.340 -0.001 0.000 0.208 247 L C 2.331 179.176 176.870 -0.041 0.000 1.085 247 L CA 1.043 55.877 54.840 -0.010 0.000 0.755 247 L CB -0.246 41.787 42.059 -0.043 0.000 0.904 247 L HN 0.332 nan 8.230 nan 0.000 0.435 248 I N -0.419 120.099 120.570 -0.088 0.000 2.252 248 I HA -0.262 3.908 4.170 -0.001 0.000 0.245 248 I C 2.102 178.157 176.117 -0.103 0.000 1.102 248 I CA 1.042 62.292 61.300 -0.083 0.000 1.385 248 I CB -0.356 37.593 38.000 -0.085 0.000 1.064 248 I HN 0.229 nan 8.210 nan 0.000 0.414 249 D N 0.605 120.919 120.400 -0.143 0.000 2.104 249 D HA -0.239 4.401 4.640 -0.001 0.000 0.194 249 D C 2.059 178.214 176.300 -0.242 0.000 0.994 249 D CA 1.473 55.373 54.000 -0.166 0.000 0.830 249 D CB -0.114 40.591 40.800 -0.159 0.000 0.959 249 D HN 0.414 nan 8.370 nan 0.000 0.452 250 E N -1.152 118.808 120.200 -0.399 0.000 2.122 250 E HA -0.104 4.245 4.350 -0.001 0.000 0.190 250 E C 1.047 177.266 176.600 -0.635 0.000 0.977 250 E CA 0.548 56.602 56.400 -0.577 0.000 0.820 250 E CB 0.132 29.309 29.700 -0.871 0.000 0.770 250 E HN 0.325 nan 8.360 nan 0.000 0.462 251 Y N -0.405 119.795 120.300 -0.167 0.000 2.467 251 Y HA 0.335 4.884 4.550 -0.001 0.000 0.250 251 Y C -0.029 175.855 175.900 -0.027 0.000 1.155 251 Y CA -0.455 57.593 58.100 -0.087 0.000 1.249 251 Y CB 0.870 39.210 38.460 -0.200 0.000 1.146 251 Y HN -0.167 nan 8.280 nan 0.000 0.524 252 R N 0.623 121.138 120.500 0.025 0.000 3.336 252 R HA -0.178 4.162 4.340 -0.001 0.000 0.260 252 R C -0.705 175.621 176.300 0.043 0.000 1.032 252 R CA 0.275 56.386 56.100 0.019 0.000 0.693 252 R CB -2.558 27.753 30.300 0.018 0.000 1.134 252 R HN 0.422 nan 8.270 nan 0.000 0.433 253 L N 0.176 121.389 121.223 -0.016 0.000 2.452 253 L HA 0.297 4.637 4.340 -0.001 0.000 0.267 253 L C 1.499 178.420 176.870 0.086 0.000 1.188 253 L CA -0.286 54.515 54.840 -0.065 0.000 0.821 253 L CB 0.552 42.499 42.059 -0.188 0.000 1.102 253 L HN 0.024 nan 8.230 nan 0.000 0.470 254 V N -0.206 119.894 119.914 0.310 0.000 3.204 254 V HA 0.429 4.548 4.120 -0.001 0.000 0.316 254 V C 1.160 177.270 176.094 0.026 0.000 1.160 254 V CA -0.844 61.520 62.300 0.107 0.000 1.044 254 V CB 1.493 33.357 31.823 0.068 0.000 1.136 254 V HN 0.787 nan 8.190 nan 0.000 0.455 255 R N -0.075 120.358 120.500 -0.113 0.000 2.134 255 R HA -0.221 4.119 4.340 -0.001 0.000 0.248 255 R C 1.681 177.950 176.300 -0.052 0.000 1.143 255 R CA 2.706 58.705 56.100 -0.168 0.000 0.957 255 R CB -0.256 29.924 30.300 -0.202 0.000 0.867 255 R HN 0.912 nan 8.270 nan 0.000 0.441 256 E N -0.771 119.348 120.200 -0.134 0.000 2.515 256 E HA -0.118 4.231 4.350 -0.001 0.000 0.201 256 E C 0.979 177.448 176.600 -0.218 0.000 1.071 256 E CA 1.016 57.258 56.400 -0.262 0.000 0.880 256 E CB -0.049 29.249 29.700 -0.669 0.000 0.828 256 E HN 0.641 nan 8.360 nan 0.000 0.540 257 H N -1.463 117.607 119.070 0.000 0.000 2.592 257 H HA 0.165 4.720 4.556 -0.001 0.000 0.265 257 H C -0.123 175.233 175.328 0.046 0.000 0.955 257 H CA -0.338 55.717 56.048 0.011 0.000 1.175 257 H CB 0.471 30.209 29.762 -0.040 0.000 1.433 257 H HN -0.010 nan 8.280 nan 0.000 0.537 258 L N 0.841 122.164 121.223 0.166 0.000 2.416 258 L HA 0.235 4.575 4.340 -0.001 0.000 0.262 258 L C 0.035 176.980 176.870 0.124 0.000 1.093 258 L CA -0.272 54.691 54.840 0.204 0.000 0.801 258 L CB 0.793 42.951 42.059 0.166 0.000 1.191 258 L HN 0.132 nan 8.230 nan 0.000 0.459 259 L N 0.161 121.386 121.223 0.004 0.000 2.418 259 L HA 0.220 4.560 4.340 -0.001 0.000 0.265 259 L C 1.588 178.352 176.870 -0.178 0.000 1.143 259 L CA -0.186 54.497 54.840 -0.261 0.000 0.809 259 L CB 0.986 42.639 42.059 -0.675 0.000 1.124 259 L HN 0.882 nan 8.230 nan 0.000 0.456 260 T N -1.190 113.293 114.554 -0.118 0.000 2.720 260 T HA -0.237 4.112 4.350 -0.001 0.000 0.268 260 T C 1.633 176.317 174.700 -0.027 0.000 1.037 260 T CA 1.320 63.395 62.100 -0.041 0.000 1.144 260 T CB -0.291 68.552 68.868 -0.042 0.000 0.864 260 T HN 0.619 nan 8.240 nan 0.000 0.444 261 I N 0.975 121.484 120.570 -0.103 0.000 2.361 261 I HA -0.230 3.940 4.170 -0.001 0.000 0.251 261 I C 2.379 178.529 176.117 0.055 0.000 1.133 261 I CA 1.534 62.810 61.300 -0.040 0.000 1.413 261 I CB -0.207 37.753 38.000 -0.066 0.000 1.073 261 I HN 0.404 nan 8.210 nan 0.000 0.424 262 H N 0.477 119.566 119.070 0.032 0.000 2.389 262 H HA -0.066 4.489 4.556 -0.001 0.000 0.299 262 H C 1.889 177.240 175.328 0.039 0.000 1.081 262 H CA 1.016 57.075 56.048 0.019 0.000 1.345 262 H CB -0.016 29.736 29.762 -0.017 0.000 1.393 262 H HN 0.326 nan 8.280 nan 0.000 0.520 263 L N 0.939 122.271 121.223 0.183 0.000 2.675 263 L HA -0.063 4.276 4.340 -0.001 0.000 0.238 263 L C 1.434 178.558 176.870 0.424 0.000 1.155 263 L CA 0.655 55.654 54.840 0.266 0.000 0.881 263 L CB -0.057 42.160 42.059 0.263 0.000 1.008 263 L HN 0.248 nan 8.230 nan 0.000 0.443 264 K N -0.769 119.787 120.400 0.259 0.000 2.379 264 K HA 0.069 4.388 4.320 -0.001 0.000 0.194 264 K C 0.936 177.658 176.600 0.204 0.000 1.031 264 K CA -0.041 56.366 56.287 0.199 0.000 1.037 264 K CB 0.513 33.085 32.500 0.120 0.000 0.824 264 K HN 0.057 nan 8.250 nan 0.000 0.516 265 S N 1.499 117.344 115.700 0.242 0.000 2.489 265 S HA 0.096 4.566 4.470 -0.001 0.000 0.277 265 S C 0.946 175.711 174.600 0.276 0.000 1.230 265 S CA -0.474 57.847 58.200 0.202 0.000 1.053 265 S CB 1.361 64.648 63.200 0.145 0.000 0.955 265 S HN 0.173 nan 8.310 nan 0.000 0.488 266 K N 3.280 123.790 120.400 0.184 0.000 2.097 266 K HA -0.064 4.255 4.320 -0.001 0.000 0.205 266 K C 1.369 178.079 176.600 0.183 0.000 1.050 266 K CA 1.184 57.576 56.287 0.175 0.000 0.938 266 K CB -0.062 32.492 32.500 0.089 0.000 0.718 266 K HN 0.631 nan 8.250 nan 0.000 0.442 267 E N 0.817 121.093 120.200 0.127 0.000 2.106 267 E HA -0.142 4.207 4.350 -0.001 0.000 0.192 267 E C 2.041 178.691 176.600 0.084 0.000 0.984 267 E CA 0.871 57.326 56.400 0.091 0.000 0.806 267 E CB -0.074 29.661 29.700 0.059 0.000 0.750 267 E HN 0.427 nan 8.360 nan 0.000 0.458 268 I N -0.663 119.956 120.570 0.082 0.000 2.226 268 I HA -0.241 3.928 4.170 -0.001 0.000 0.245 268 I C 2.113 178.220 176.117 -0.016 0.000 1.100 268 I CA 1.004 62.304 61.300 0.001 0.000 1.374 268 I CB -0.250 37.732 38.000 -0.030 0.000 1.057 268 I HN 0.166 nan 8.210 nan 0.000 0.413 269 W N 1.420 122.731 121.300 0.018 0.000 2.374 269 W HA -0.157 4.503 4.660 -0.001 0.000 0.288 269 W C 2.541 179.062 176.519 0.003 0.000 1.218 269 W CA 1.092 58.445 57.345 0.013 0.000 1.245 269 W CB -0.108 29.358 29.460 0.011 0.000 1.126 269 W HN -0.047 nan 8.180 nan 0.000 0.545 270 K N -0.589 119.939 120.400 0.213 0.000 2.148 270 K HA -0.124 4.195 4.320 -0.001 0.000 0.204 270 K C 2.266 178.906 176.600 0.067 0.000 1.050 270 K CA 1.382 57.744 56.287 0.125 0.000 0.942 270 K CB -0.377 32.178 32.500 0.091 0.000 0.724 270 K HN -0.028 nan 8.250 nan 0.000 0.446 271 S N 0.630 116.351 115.700 0.035 0.000 2.387 271 S HA -0.052 4.418 4.470 -0.001 0.000 0.226 271 S C 1.810 176.395 174.600 -0.025 0.000 1.026 271 S CA 0.575 58.773 58.200 -0.005 0.000 0.972 271 S CB -0.006 63.179 63.200 -0.026 0.000 0.814 271 S HN 0.088 nan 8.310 nan 0.000 0.477 272 L N 1.437 122.630 121.223 -0.050 0.000 2.093 272 L HA 0.131 4.471 4.340 -0.001 0.000 0.208 272 L C 2.197 179.062 176.870 -0.008 0.000 1.085 272 L CA 1.228 56.016 54.840 -0.087 0.000 0.755 272 L CB -1.098 40.808 42.059 -0.255 0.000 0.904 272 L HN 0.400 nan 8.230 nan 0.000 0.435 273 L N -0.692 120.565 121.223 0.056 0.000 2.083 273 L HA -0.237 4.103 4.340 -0.001 0.000 0.209 273 L C 2.537 179.426 176.870 0.032 0.000 1.083 273 L CA 1.635 56.519 54.840 0.072 0.000 0.752 273 L CB -0.584 41.534 42.059 0.098 0.000 0.899 273 L HN 0.404 nan 8.230 nan 0.000 0.433 274 Q N -0.567 119.244 119.800 0.019 0.000 2.082 274 Q HA -0.247 4.093 4.340 -0.001 0.000 0.211 274 Q C 0.447 176.447 176.000 -0.001 0.000 1.002 274 Q CA 2.311 58.117 55.803 0.005 0.000 0.868 274 Q CB 0.020 28.756 28.738 -0.004 0.000 0.931 274 Q HN 0.583 nan 8.270 nan 0.000 0.414 275 D N -0.518 119.879 120.400 -0.006 0.000 2.623 275 D HA 0.110 4.749 4.640 -0.001 0.000 0.252 275 D C -0.532 175.767 176.300 -0.002 0.000 1.294 275 D CA -0.147 53.849 54.000 -0.007 0.000 0.824 275 D CB 0.108 40.900 40.800 -0.015 0.000 1.070 275 D HN 0.344 nan 8.370 nan 0.000 0.487 276 M N 2.340 121.943 119.600 0.005 0.000 2.327 276 M HA 0.089 4.568 4.480 -0.001 0.000 0.353 276 M C -2.331 173.974 176.300 0.009 0.000 1.539 276 M CA -0.561 54.745 55.300 0.010 0.000 1.039 276 M CB 0.551 33.168 32.600 0.028 0.000 1.967 276 M HN -0.309 nan 8.290 nan 0.000 0.459 277 P HA -0.055 nan 4.420 nan 0.000 0.264 277 P C 0.509 177.815 177.300 0.011 0.000 1.183 277 P CA 0.221 63.326 63.100 0.009 0.000 0.763 277 P CB 0.426 32.131 31.700 0.009 0.000 0.807 278 L N 1.723 122.954 121.223 0.014 0.000 2.043 278 L HA -0.235 4.105 4.340 -0.001 0.000 0.212 278 L C 2.154 179.034 176.870 0.016 0.000 1.075 278 L CA 1.921 56.770 54.840 0.016 0.000 0.752 278 L CB -1.184 40.890 42.059 0.025 0.000 0.891 278 L HN 0.431 nan 8.230 nan 0.000 0.432 279 T N -0.133 114.432 114.554 0.019 0.000 2.746 279 T HA -0.181 4.169 4.350 -0.001 0.000 0.267 279 T C 1.988 176.685 174.700 -0.005 0.000 1.039 279 T CA 1.430 63.531 62.100 0.002 0.000 1.142 279 T CB -0.199 68.662 68.868 -0.012 0.000 0.866 279 T HN 0.483 nan 8.240 nan 0.000 0.444 280 A N 1.105 123.928 122.820 0.005 0.000 1.930 280 A HA 0.033 4.353 4.320 -0.001 0.000 0.217 280 A C 2.213 179.809 177.584 0.020 0.000 1.175 280 A CA 1.098 53.145 52.037 0.017 0.000 0.627 280 A CB -0.729 18.285 19.000 0.023 0.000 0.815 280 A HN 0.406 nan 8.150 nan 0.000 0.443 281 L N -0.688 120.540 121.223 0.008 0.000 2.012 281 L HA -0.143 4.197 4.340 -0.001 0.000 0.210 281 L C 2.149 178.987 176.870 -0.054 0.000 1.073 281 L CA 1.759 56.592 54.840 -0.012 0.000 0.748 281 L CB -0.697 41.352 42.059 -0.017 0.000 0.891 281 L HN 0.257 nan 8.230 nan 0.000 0.431 282 L N -0.047 121.150 121.223 -0.044 0.000 2.043 282 L HA -0.221 4.118 4.340 -0.001 0.000 0.212 282 L C 2.840 179.671 176.870 -0.065 0.000 1.075 282 L CA 2.132 56.937 54.840 -0.059 0.000 0.752 282 L CB -1.006 41.044 42.059 -0.015 0.000 0.891 282 L HN 0.433 nan 8.230 nan 0.000 0.432 283 R N -0.858 119.620 120.500 -0.036 0.000 2.115 283 R HA -0.074 4.265 4.340 -0.001 0.000 0.226 283 R C 1.358 177.627 176.300 -0.051 0.000 1.100 283 R CA 1.132 57.218 56.100 -0.024 0.000 0.980 283 R CB 0.010 30.314 30.300 0.006 0.000 0.875 283 R HN 0.382 nan 8.270 nan 0.000 0.445 284 N N 0.492 119.159 118.700 -0.055 0.000 2.336 284 N HA 0.011 4.750 4.740 -0.001 0.000 0.189 284 N C 1.432 176.809 175.510 -0.222 0.000 1.113 284 N CA 0.176 53.175 53.050 -0.085 0.000 0.858 284 N CB 0.239 38.765 38.487 0.066 0.000 0.970 284 N HN 0.235 nan 8.380 nan 0.000 0.471 285 L N 0.414 121.466 121.223 -0.285 0.000 1.978 285 L HA -0.183 4.157 4.340 -0.001 0.000 0.218 285 L C 2.471 179.030 176.870 -0.519 0.000 1.075 285 L CA 1.844 56.404 54.840 -0.467 0.000 0.767 285 L CB -1.049 40.536 42.059 -0.789 0.000 0.890 285 L HN 0.206 nan 8.230 nan 0.000 0.434 286 G N -0.188 108.201 108.800 -0.686 0.000 2.459 286 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.217 286 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.217 286 G C 1.662 175.908 174.900 -1.091 0.000 1.183 286 G CA 1.111 45.170 45.100 -1.735 0.000 0.776 286 G HN 0.348 nan 8.290 nan 0.000 0.552 287 K N -0.171 119.854 120.400 -0.625 0.000 2.026 287 K HA -0.001 4.319 4.320 -0.001 0.000 0.208 287 K C 2.582 178.935 176.600 -0.411 0.000 1.048 287 K CA 1.289 57.336 56.287 -0.401 0.000 0.929 287 K CB -0.250 32.041 32.500 -0.347 0.000 0.713 287 K HN 0.319 nan 8.250 nan 0.000 0.439 288 M N 0.367 119.714 119.600 -0.422 0.000 2.374 288 M HA -0.104 4.376 4.480 -0.001 0.000 0.264 288 M C 1.766 177.934 176.300 -0.219 0.000 1.067 288 M CA 1.381 56.470 55.300 -0.352 0.000 1.103 288 M CB -0.063 32.394 32.600 -0.239 0.000 1.402 288 M HN 0.205 nan 8.290 nan 0.000 0.444 289 T N 0.605 115.032 114.554 -0.213 0.000 2.809 289 T HA 0.047 4.397 4.350 -0.001 0.000 0.260 289 T C 1.981 176.674 174.700 -0.011 0.000 1.039 289 T CA 1.292 63.349 62.100 -0.071 0.000 1.141 289 T CB -0.186 68.682 68.868 -0.000 0.000 0.869 289 T HN 0.463 nan 8.240 nan 0.000 0.437 290 A N 1.997 124.807 122.820 -0.016 0.000 1.933 290 A HA -0.129 4.191 4.320 -0.001 0.000 0.218 290 A C 1.796 179.371 177.584 -0.014 0.000 1.175 290 A CA 1.519 53.601 52.037 0.075 0.000 0.628 290 A CB -0.515 18.565 19.000 0.133 0.000 0.814 290 A HN 0.312 nan 8.150 nan 0.000 0.444 291 D N -0.446 119.889 120.400 -0.108 0.000 2.336 291 D HA 0.160 4.799 4.640 -0.001 0.000 0.229 291 D C 0.646 176.896 176.300 -0.083 0.000 1.061 291 D CA 0.915 54.836 54.000 -0.133 0.000 0.875 291 D CB 0.030 40.658 40.800 -0.286 0.000 0.904 291 D HN 0.300 nan 8.370 nan 0.000 0.525 292 S N -1.608 114.064 115.700 -0.047 0.000 3.127 292 S HA -0.194 4.275 4.470 -0.001 0.000 0.281 292 S C 1.586 176.175 174.600 -0.019 0.000 1.293 292 S CA 0.614 58.804 58.200 -0.017 0.000 1.156 292 S CB -1.440 61.757 63.200 -0.004 0.000 1.389 292 S HN 0.240 nan 8.310 nan 0.000 0.672 293 V N 0.316 120.199 119.914 -0.051 0.000 2.453 293 V HA 0.017 4.137 4.120 -0.001 0.000 0.247 293 V C 1.133 177.223 176.094 -0.007 0.000 1.048 293 V CA 1.682 63.970 62.300 -0.021 0.000 1.049 293 V CB -0.271 31.526 31.823 -0.043 0.000 0.672 293 V HN 0.577 nan 8.190 nan 0.000 0.457 294 L N 1.149 122.357 121.223 -0.025 0.000 2.589 294 L HA 0.537 4.876 4.340 -0.001 0.000 0.244 294 L C 0.378 177.256 176.870 0.014 0.000 1.159 294 L CA -0.439 54.396 54.840 -0.009 0.000 1.074 294 L CB 0.370 42.409 42.059 -0.033 0.000 1.391 294 L HN 0.193 nan 8.230 nan 0.000 0.423 295 A N 2.221 125.051 122.820 0.018 0.000 2.407 295 A HA 0.507 4.827 4.320 -0.001 0.000 0.248 295 A C -2.263 175.340 177.584 0.032 0.000 1.082 295 A CA -1.052 51.001 52.037 0.026 0.000 0.785 295 A CB -0.174 18.839 19.000 0.022 0.000 1.020 295 A HN 0.257 nan 8.150 nan 0.000 0.489 296 P HA 0.236 nan 4.420 nan 0.000 0.264 296 P C 0.583 177.901 177.300 0.029 0.000 1.183 296 P CA 1.716 64.838 63.100 0.037 0.000 0.763 296 P CB 0.734 32.455 31.700 0.035 0.000 0.807 297 A N 1.562 124.400 122.820 0.029 0.000 3.153 297 A HA -0.201 4.119 4.320 -0.001 0.000 0.265 297 A C 0.823 178.420 177.584 0.021 0.000 1.212 297 A CA 1.337 53.388 52.037 0.024 0.000 1.018 297 A CB -2.777 16.235 19.000 0.021 0.000 1.130 297 A HN 0.655 nan 8.150 nan 0.000 0.873 298 S N -0.078 115.635 115.700 0.022 0.000 2.632 298 S HA 0.586 5.056 4.470 -0.001 0.000 0.267 298 S C 1.374 175.985 174.600 0.018 0.000 1.276 298 S CA 0.407 58.619 58.200 0.020 0.000 0.998 298 S CB 1.487 64.699 63.200 0.020 0.000 0.953 298 S HN 1.706 nan 8.310 nan 0.000 0.547 299 S N 0.556 116.266 115.700 0.016 0.000 2.423 299 S HA -0.102 4.367 4.470 -0.001 0.000 0.231 299 S C 1.306 175.914 174.600 0.014 0.000 1.014 299 S CA 0.900 59.109 58.200 0.015 0.000 0.965 299 S CB -0.698 62.510 63.200 0.014 0.000 0.785 299 S HN 0.764 nan 8.310 nan 0.000 0.495 300 E N 1.501 121.711 120.200 0.016 0.000 2.051 300 E HA -0.033 4.317 4.350 -0.001 0.000 0.192 300 E C 2.141 178.746 176.600 0.009 0.000 0.991 300 E CA 1.146 57.556 56.400 0.015 0.000 0.799 300 E CB -0.663 29.049 29.700 0.020 0.000 0.748 300 E HN 0.389 nan 8.360 nan 0.000 0.449 301 V N 0.512 120.432 119.914 0.010 0.000 2.343 301 V HA -0.259 3.860 4.120 -0.001 0.000 0.247 301 V C 2.119 178.218 176.094 0.008 0.000 1.051 301 V CA 1.967 64.271 62.300 0.007 0.000 1.036 301 V CB -0.537 31.298 31.823 0.020 0.000 0.654 301 V HN 0.231 nan 8.190 nan 0.000 0.451 302 S N 0.160 115.868 115.700 0.013 0.000 2.368 302 S HA -0.199 4.271 4.470 -0.001 0.000 0.225 302 S C 2.207 176.813 174.600 0.010 0.000 1.030 302 S CA 1.758 59.966 58.200 0.013 0.000 0.999 302 S CB -0.344 62.864 63.200 0.014 0.000 0.844 302 S HN 0.616 nan 8.310 nan 0.000 0.459 303 S N 1.158 116.862 115.700 0.008 0.000 2.368 303 S HA -0.056 4.414 4.470 -0.001 0.000 0.225 303 S C 2.035 176.636 174.600 0.002 0.000 1.030 303 S CA 0.972 59.176 58.200 0.005 0.000 0.999 303 S CB -0.441 62.762 63.200 0.006 0.000 0.844 303 S HN 0.313 nan 8.310 nan 0.000 0.459 304 V N 1.156 121.068 119.914 -0.004 0.000 2.295 304 V HA -0.246 3.873 4.120 -0.001 0.000 0.246 304 V C 2.487 178.575 176.094 -0.011 0.000 1.049 304 V CA 1.558 63.849 62.300 -0.015 0.000 1.024 304 V CB -0.850 30.951 31.823 -0.036 0.000 0.648 304 V HN 0.589 nan 8.190 nan 0.000 0.447 305 C N -0.356 118.942 119.300 -0.002 0.000 2.425 305 C HA -0.146 4.313 4.460 -0.001 0.000 0.277 305 C C 2.760 177.760 174.990 0.015 0.000 1.280 305 C CA 1.182 60.206 59.018 0.010 0.000 1.744 305 C CB -0.912 26.840 27.740 0.019 0.000 1.989 305 C HN 0.650 nan 8.230 nan 0.000 0.491 306 E N 0.895 121.103 120.200 0.012 0.000 2.152 306 E HA -0.131 4.219 4.350 -0.001 0.000 0.192 306 E C 2.271 178.878 176.600 0.012 0.000 0.983 306 E CA 0.944 57.353 56.400 0.013 0.000 0.818 306 E CB -0.136 29.570 29.700 0.011 0.000 0.758 306 E HN 0.615 nan 8.360 nan 0.000 0.467 307 R N -0.020 120.484 120.500 0.007 0.000 2.090 307 R HA 0.029 4.369 4.340 -0.001 0.000 0.228 307 R C 2.657 178.963 176.300 0.010 0.000 1.110 307 R CA 0.807 56.911 56.100 0.006 0.000 0.973 307 R CB -0.195 30.106 30.300 0.002 0.000 0.869 307 R HN 0.192 nan 8.270 nan 0.000 0.440 308 L N 0.532 121.762 121.223 0.010 0.000 2.201 308 L HA -0.086 4.254 4.340 -0.001 0.000 0.212 308 L C 1.884 178.774 176.870 0.033 0.000 1.105 308 L CA 1.304 56.154 54.840 0.018 0.000 0.775 308 L CB -0.395 41.671 42.059 0.012 0.000 0.913 308 L HN 0.323 nan 8.230 nan 0.000 0.440 309 T N -4.557 110.017 114.554 0.033 0.000 3.145 309 T HA 0.056 4.406 4.350 -0.001 0.000 0.255 309 T C 0.677 175.396 174.700 0.032 0.000 1.039 309 T CA -0.375 61.751 62.100 0.043 0.000 0.928 309 T CB -0.369 68.528 68.868 0.048 0.000 1.029 309 T HN 0.048 nan 8.240 nan 0.000 0.554 310 N N 2.262 120.975 118.700 0.022 0.000 2.558 310 N HA 0.105 4.844 4.740 -0.001 0.000 0.233 310 N C 0.869 176.386 175.510 0.011 0.000 1.038 310 N CA -0.116 52.943 53.050 0.015 0.000 0.934 310 N CB 1.208 39.701 38.487 0.010 0.000 1.175 310 N HN 0.516 nan 8.380 nan 0.000 0.512 311 E N 2.819 123.026 120.200 0.012 0.000 2.147 311 E HA -0.248 4.102 4.350 -0.001 0.000 0.199 311 E C 0.551 177.148 176.600 -0.004 0.000 1.005 311 E CA 1.516 57.918 56.400 0.004 0.000 0.810 311 E CB 0.382 30.085 29.700 0.005 0.000 0.736 311 E HN 0.361 nan 8.360 nan 0.000 0.460 312 K N 0.150 120.548 120.400 -0.003 0.000 2.148 312 K HA -0.049 4.271 4.320 -0.001 0.000 0.204 312 K C 1.970 178.567 176.600 -0.006 0.000 1.050 312 K CA 0.818 57.101 56.287 -0.007 0.000 0.942 312 K CB -0.137 32.359 32.500 -0.006 0.000 0.724 312 K HN 0.213 nan 8.250 nan 0.000 0.446 313 L N -0.133 121.089 121.223 -0.002 0.000 2.131 313 L HA -0.053 4.287 4.340 -0.001 0.000 0.206 313 L C 2.016 178.889 176.870 0.004 0.000 1.087 313 L CA 0.725 55.566 54.840 0.001 0.000 0.767 313 L CB -0.407 41.654 42.059 0.003 0.000 0.917 313 L HN 0.086 nan 8.230 nan 0.000 0.441 314 L N -0.221 121.004 121.223 0.003 0.000 2.012 314 L HA -0.233 4.106 4.340 -0.001 0.000 0.210 314 L C 2.635 179.503 176.870 -0.003 0.000 1.073 314 L CA 1.258 56.101 54.840 0.004 0.000 0.748 314 L CB -0.452 41.603 42.059 -0.007 0.000 0.891 314 L HN 0.132 nan 8.230 nan 0.000 0.431 315 K N 0.321 120.712 120.400 -0.016 0.000 2.026 315 K HA -0.190 4.130 4.320 -0.001 0.000 0.208 315 K C 2.113 178.709 176.600 -0.006 0.000 1.048 315 K CA 1.340 57.614 56.287 -0.021 0.000 0.929 315 K CB -0.180 32.304 32.500 -0.027 0.000 0.713 315 K HN 0.086 nan 8.250 nan 0.000 0.439 316 K N -0.317 120.080 120.400 -0.004 0.000 2.211 316 K HA -0.021 4.299 4.320 -0.001 0.000 0.203 316 K C 1.328 177.934 176.600 0.010 0.000 1.050 316 K CA 1.245 57.532 56.287 -0.001 0.000 0.945 316 K CB 0.024 32.521 32.500 -0.006 0.000 0.732 316 K HN 0.147 nan 8.250 nan 0.000 0.451 317 A N 0.897 123.729 122.820 0.019 0.000 2.307 317 A HA 0.122 4.442 4.320 -0.001 0.000 0.218 317 A C -0.004 177.618 177.584 0.062 0.000 1.228 317 A CA -0.092 51.965 52.037 0.033 0.000 0.857 317 A CB -0.173 18.846 19.000 0.032 0.000 0.897 317 A HN 0.425 nan 8.150 nan 0.000 0.495 318 R N -0.714 119.820 120.500 0.057 0.000 3.333 318 R HA -0.138 4.202 4.340 -0.001 0.000 0.256 318 R C -0.811 175.577 176.300 0.147 0.000 1.010 318 R CA 0.493 56.644 56.100 0.084 0.000 0.680 318 R CB -1.770 28.595 30.300 0.108 0.000 1.102 318 R HN 0.358 nan 8.270 nan 0.000 0.440 319 I N 1.230 121.864 120.570 0.107 0.000 2.337 319 I HA 0.067 4.236 4.170 -0.001 0.000 0.291 319 I C 1.040 177.156 176.117 -0.003 0.000 1.046 319 I CA -0.252 61.149 61.300 0.168 0.000 1.324 319 I CB 0.396 38.461 38.000 0.107 0.000 1.409 319 I HN 0.147 nan 8.210 nan 0.000 0.494 320 H N 9.235 128.116 119.070 -0.314 0.000 2.511 320 H HA 0.282 4.837 4.556 -0.001 0.000 0.346 320 H C -1.482 173.640 175.328 -0.342 0.000 1.128 320 H CA -1.076 54.667 56.048 -0.509 0.000 1.342 320 H CB 1.593 30.847 29.762 -0.846 0.000 1.470 320 H HN 0.311 nan 8.280 nan 0.000 0.546 321 P HA -0.224 nan 4.420 nan 0.000 0.218 321 P C 1.322 178.873 177.300 0.418 0.000 1.148 321 P CA 1.264 64.181 63.100 -0.304 0.000 0.822 321 P CB -0.019 30.912 31.700 -1.282 0.000 0.784 322 F N 0.311 120.588 119.950 0.545 0.000 2.234 322 F HA -0.161 4.365 4.527 -0.001 0.000 0.299 322 F C 2.484 178.426 175.800 0.237 0.000 1.087 322 F CA 1.464 59.635 58.000 0.284 0.000 1.340 322 F CB -0.559 38.485 39.000 0.074 0.000 1.031 322 F HN 0.002 nan 8.300 nan 0.000 0.500 323 H N -0.474 118.760 119.070 0.274 0.000 2.353 323 H HA -0.158 4.397 4.556 -0.001 0.000 0.300 323 H C 2.313 177.660 175.328 0.031 0.000 1.090 323 H CA 1.611 57.731 56.048 0.119 0.000 1.327 323 H CB -0.139 29.708 29.762 0.143 0.000 1.383 323 H HN 0.271 nan 8.280 nan 0.000 0.508 324 I N 0.293 120.989 120.570 0.209 0.000 2.315 324 I HA -0.235 3.934 4.170 -0.001 0.000 0.248 324 I C 2.354 178.515 176.117 0.074 0.000 1.117 324 I CA 0.582 61.971 61.300 0.148 0.000 1.404 324 I CB -0.035 38.084 38.000 0.199 0.000 1.071 324 I HN 0.180 nan 8.210 nan 0.000 0.419 325 L N 0.318 121.559 121.223 0.030 0.000 2.017 325 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 325 L C 2.396 179.131 176.870 -0.224 0.000 1.073 325 L CA 1.785 56.535 54.840 -0.149 0.000 0.745 325 L CB -0.414 41.496 42.059 -0.249 0.000 0.894 325 L HN -0.033 nan 8.230 nan 0.000 0.432 326 V N -0.048 119.660 119.914 -0.342 0.000 2.343 326 V HA -0.267 3.853 4.120 -0.001 0.000 0.247 326 V C 2.765 178.814 176.094 -0.075 0.000 1.051 326 V CA 1.565 63.711 62.300 -0.257 0.000 1.036 326 V CB -1.223 30.429 31.823 -0.284 0.000 0.654 326 V HN 0.603 nan 8.190 nan 0.000 0.451 327 A N -0.224 122.581 122.820 -0.025 0.000 1.933 327 A HA -0.182 4.137 4.320 -0.001 0.000 0.218 327 A C 2.140 179.769 177.584 0.076 0.000 1.175 327 A CA 2.003 54.057 52.037 0.029 0.000 0.628 327 A CB -0.509 18.507 19.000 0.026 0.000 0.814 327 A HN 0.454 nan 8.150 nan 0.000 0.444 328 L N -0.062 121.194 121.223 0.055 0.000 2.027 328 L HA -0.106 4.233 4.340 -0.001 0.000 0.206 328 L C 2.248 179.177 176.870 0.098 0.000 1.074 328 L CA 2.592 57.492 54.840 0.100 0.000 0.745 328 L CB -0.731 41.361 42.059 0.055 0.000 0.898 328 L HN 0.491 nan 8.230 nan 0.000 0.433 329 E N -0.642 119.573 120.200 0.026 0.000 2.051 329 E HA -0.204 4.145 4.350 -0.001 0.000 0.192 329 E C 1.929 178.549 176.600 0.034 0.000 0.991 329 E CA 1.993 58.398 56.400 0.007 0.000 0.799 329 E CB -0.183 29.494 29.700 -0.039 0.000 0.748 329 E HN 0.574 nan 8.360 nan 0.000 0.449 330 T N 0.394 114.992 114.554 0.073 0.000 2.746 330 T HA -0.181 4.168 4.350 -0.001 0.000 0.267 330 T C 1.631 176.502 174.700 0.285 0.000 1.039 330 T CA 1.529 63.709 62.100 0.133 0.000 1.142 330 T CB -0.540 68.413 68.868 0.141 0.000 0.866 330 T HN 0.270 nan 8.240 nan 0.000 0.444 331 Y N 2.035 122.441 120.300 0.176 0.000 2.184 331 Y HA -0.001 4.548 4.550 -0.001 0.000 0.290 331 Y C 2.389 178.468 175.900 0.298 0.000 1.129 331 Y CA 1.289 59.577 58.100 0.313 0.000 1.144 331 Y CB -0.307 38.229 38.460 0.128 0.000 0.995 331 Y HN -0.059 nan 8.280 nan 0.000 0.513 332 K N 1.165 121.582 120.400 0.027 0.000 2.209 332 K HA -0.182 4.137 4.320 -0.001 0.000 0.204 332 K C 2.132 178.581 176.600 -0.251 0.000 1.048 332 K CA 1.464 57.660 56.287 -0.152 0.000 0.940 332 K CB -0.343 32.112 32.500 -0.075 0.000 0.729 332 K HN 0.294 nan 8.250 nan 0.000 0.451 333 K N -0.952 119.299 120.400 -0.248 0.000 2.103 333 K HA -0.139 4.181 4.320 -0.001 0.000 0.207 333 K C 0.916 177.057 176.600 -0.765 0.000 1.048 333 K CA 1.614 57.629 56.287 -0.453 0.000 0.930 333 K CB -0.238 31.981 32.500 -0.469 0.000 0.716 333 K HN 0.408 nan 8.250 nan 0.000 0.444 334 G N 0.848 109.050 108.800 -0.997 0.000 2.176 334 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.253 334 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.253 334 G C 0.043 173.852 174.900 -1.817 0.000 0.979 334 G CA 0.718 44.877 45.100 -1.569 0.000 0.641 334 G HN 0.705 nan 8.290 nan 0.000 0.530 342 R N 3.324 123.951 120.500 0.212 0.000 2.725 342 R HA 0.760 5.100 4.340 -0.001 0.000 0.277 342 R C -2.085 174.347 176.300 0.221 0.000 0.987 342 R CA -0.437 55.692 56.100 0.048 0.000 0.901 342 R CB 2.171 32.455 30.300 -0.026 0.000 1.207 342 R HN 0.580 nan 8.270 nan 0.000 0.463 343 W N 2.907 124.190 121.300 -0.029 0.000 2.989 343 W HA 0.483 5.143 4.660 -0.001 0.000 0.344 343 W C -1.877 174.585 176.519 -0.096 0.000 1.233 343 W CA -1.056 56.258 57.345 -0.053 0.000 1.187 343 W CB 0.486 29.921 29.460 -0.041 0.000 1.443 343 W HN 0.103 nan 8.180 nan 0.000 0.573 344 I N 3.866 124.528 120.570 0.152 0.000 2.291 344 I HA 0.225 4.395 4.170 -0.001 0.000 0.290 344 I C -1.837 174.339 176.117 0.098 0.000 1.050 344 I CA -2.765 58.547 61.300 0.019 0.000 1.245 344 I CB 0.182 38.198 38.000 0.026 0.000 1.405 344 I HN 0.124 nan 8.210 nan 0.000 0.478 345 P HA -0.025 nan 4.420 nan 0.000 0.262 345 P C -0.102 177.188 177.300 -0.017 0.000 1.199 345 P CA 0.018 62.972 63.100 -0.244 0.000 0.763 345 P CB 0.869 32.288 31.700 -0.469 0.000 0.790 346 D N 3.011 123.533 120.400 0.203 0.000 2.401 346 D HA -0.021 4.619 4.640 -0.001 0.000 0.254 346 D C 1.355 177.749 176.300 0.157 0.000 1.192 346 D CA 0.332 54.448 54.000 0.193 0.000 0.885 346 D CB 0.982 41.919 40.800 0.228 0.000 1.147 346 D HN 0.346 nan 8.370 nan 0.000 0.478 347 T N 0.249 114.847 114.554 0.074 0.000 2.833 347 T HA -0.204 4.146 4.350 -0.001 0.000 0.269 347 T C 1.926 176.668 174.700 0.069 0.000 1.054 347 T CA 1.476 63.603 62.100 0.046 0.000 1.135 347 T CB -0.204 68.676 68.868 0.020 0.000 0.869 347 T HN 0.365 nan 8.240 nan 0.000 0.466 348 S N 1.443 117.187 115.700 0.073 0.000 2.406 348 S HA 0.078 4.548 4.470 -0.001 0.000 0.228 348 S C 2.080 176.725 174.600 0.075 0.000 1.020 348 S CA 0.544 58.783 58.200 0.066 0.000 0.965 348 S CB -0.805 62.425 63.200 0.051 0.000 0.798 348 S HN 0.573 nan 8.310 nan 0.000 0.488 349 I N 1.257 121.884 120.570 0.096 0.000 2.353 349 I HA -0.081 4.088 4.170 -0.001 0.000 0.248 349 I C 2.415 178.600 176.117 0.112 0.000 1.119 349 I CA 0.706 62.048 61.300 0.069 0.000 1.417 349 I CB -0.388 37.620 38.000 0.013 0.000 1.078 349 I HN 0.198 nan 8.210 nan 0.000 0.421 350 V N 0.952 120.973 119.914 0.178 0.000 2.332 350 V HA -0.298 3.822 4.120 -0.001 0.000 0.248 350 V C 2.334 178.511 176.094 0.138 0.000 1.055 350 V CA 1.987 64.382 62.300 0.157 0.000 1.038 350 V CB -0.618 31.231 31.823 0.043 0.000 0.651 350 V HN 0.447 nan 8.190 nan 0.000 0.450 351 E N -0.020 120.251 120.200 0.119 0.000 2.106 351 E HA -0.149 4.201 4.350 -0.001 0.000 0.192 351 E C 2.324 178.996 176.600 0.121 0.000 0.984 351 E CA 1.156 57.632 56.400 0.127 0.000 0.806 351 E CB -0.325 29.436 29.700 0.101 0.000 0.750 351 E HN 0.606 nan 8.360 nan 0.000 0.458 352 A N 1.146 124.023 122.820 0.096 0.000 1.933 352 A HA -0.165 4.154 4.320 -0.001 0.000 0.218 352 A C 2.165 179.809 177.584 0.100 0.000 1.175 352 A CA 1.046 53.133 52.037 0.083 0.000 0.628 352 A CB -0.580 18.451 19.000 0.050 0.000 0.814 352 A HN 0.134 nan 8.150 nan 0.000 0.444 353 L N -0.394 120.889 121.223 0.099 0.000 2.056 353 L HA -0.194 4.146 4.340 -0.001 0.000 0.207 353 L C 2.536 179.498 176.870 0.153 0.000 1.078 353 L CA 1.731 56.636 54.840 0.108 0.000 0.749 353 L CB -0.561 41.555 42.059 0.095 0.000 0.901 353 L HN 0.568 nan 8.230 nan 0.000 0.433 354 D N 0.363 120.862 120.400 0.165 0.000 2.123 354 D HA -0.270 4.369 4.640 -0.001 0.000 0.196 354 D C 1.783 178.274 176.300 0.318 0.000 0.992 354 D CA 1.902 56.022 54.000 0.201 0.000 0.833 354 D CB 0.039 40.964 40.800 0.209 0.000 0.954 354 D HN 0.328 nan 8.370 nan 0.000 0.455 355 N N -0.021 118.840 118.700 0.267 0.000 2.142 355 N HA -0.123 4.616 4.740 -0.001 0.000 0.186 355 N C 1.847 177.512 175.510 0.258 0.000 1.023 355 N CA 1.833 55.049 53.050 0.277 0.000 0.852 355 N CB -0.181 38.405 38.487 0.165 0.000 0.998 355 N HN 0.189 nan 8.380 nan 0.000 0.424 356 A N -0.219 122.712 122.820 0.185 0.000 1.933 356 A HA -0.099 4.220 4.320 -0.001 0.000 0.218 356 A C 2.037 179.697 177.584 0.127 0.000 1.175 356 A CA 1.049 53.164 52.037 0.130 0.000 0.628 356 A CB -1.131 17.927 19.000 0.096 0.000 0.814 356 A HN 0.529 nan 8.150 nan 0.000 0.444 357 F N -0.052 119.898 119.950 0.000 0.000 2.063 357 F HA -0.288 4.239 4.527 -0.001 0.000 0.298 357 F C 2.081 177.846 175.800 -0.058 0.000 1.109 357 F CA 2.101 60.045 58.000 -0.094 0.000 1.212 357 F CB -0.652 38.204 39.000 -0.240 0.000 0.973 357 F HN 0.321 nan 8.300 nan 0.000 0.480 358 Y N 0.545 120.901 120.300 0.094 0.000 2.224 358 Y HA -0.143 4.407 4.550 -0.001 0.000 0.289 358 Y C 2.376 178.264 175.900 -0.020 0.000 1.146 358 Y CA 1.778 59.871 58.100 -0.012 0.000 1.182 358 Y CB -0.799 37.711 38.460 0.084 0.000 0.983 358 Y HN 0.045 nan 8.280 nan 0.000 0.524 359 K N -0.079 120.400 120.400 0.132 0.000 2.365 359 K HA -0.083 4.237 4.320 -0.001 0.000 0.199 359 K C 2.011 178.596 176.600 -0.024 0.000 1.045 359 K CA 1.187 57.509 56.287 0.058 0.000 0.962 359 K CB -0.187 32.348 32.500 0.058 0.000 0.759 359 K HN 0.338 nan 8.250 nan 0.000 0.469 360 S N -0.003 115.628 115.700 -0.115 0.000 2.527 360 S HA 0.040 4.510 4.470 -0.001 0.000 0.222 360 S C 0.540 174.916 174.600 -0.373 0.000 0.985 360 S CA -0.183 57.869 58.200 -0.246 0.000 0.921 360 S CB -0.192 62.815 63.200 -0.322 0.000 0.772 360 S HN -0.004 nan 8.310 nan 0.000 0.529 361 F N 2.319 122.070 119.950 -0.331 0.000 2.370 361 F HA 0.418 4.944 4.527 -0.001 0.000 0.324 361 F C 0.739 176.415 175.800 -0.207 0.000 1.116 361 F CA -0.984 56.822 58.000 -0.323 0.000 1.123 361 F CB 0.735 39.525 39.000 -0.350 0.000 1.238 361 F HN -0.069 nan 8.300 nan 0.000 0.536 362 K N 2.422 122.842 120.400 0.034 0.000 2.378 362 K HA 0.242 4.562 4.320 -0.001 0.000 0.288 362 K C -1.045 175.556 176.600 0.002 0.000 1.057 362 K CA -0.518 55.762 56.287 -0.012 0.000 0.971 362 K CB 0.204 32.681 32.500 -0.038 0.000 0.975 362 K HN 0.414 nan 8.250 nan 0.000 0.475 363 L N 4.980 126.199 121.223 -0.006 0.000 2.397 363 L HA 0.224 4.563 4.340 -0.001 0.000 0.271 363 L C -0.238 176.620 176.870 -0.021 0.000 1.148 363 L CA 0.025 54.856 54.840 -0.015 0.000 0.825 363 L CB 1.392 43.445 42.059 -0.011 0.000 1.117 363 L HN 0.478 nan 8.230 nan 0.000 0.456 364 V N -0.588 119.310 119.914 -0.028 0.000 3.130 364 V HA 0.595 4.715 4.120 -0.001 0.000 0.310 364 V C -0.366 175.715 176.094 -0.023 0.000 1.158 364 V CA -1.102 61.185 62.300 -0.021 0.000 1.029 364 V CB 1.806 33.619 31.823 -0.016 0.000 1.057 364 V HN 0.703 nan 8.190 nan 0.000 0.436 365 E N 3.453 123.646 120.200 -0.012 0.000 2.360 365 E HA 0.300 4.650 4.350 -0.001 0.000 0.269 365 E C -2.351 174.244 176.600 -0.009 0.000 1.022 365 E CA -1.452 54.942 56.400 -0.010 0.000 0.887 365 E CB 0.709 30.408 29.700 -0.002 0.000 0.990 365 E HN 0.676 nan 8.360 nan 0.000 0.426 366 P HA -0.083 nan 4.420 nan 0.000 0.269 366 P C 0.217 177.534 177.300 0.028 0.000 1.215 366 P CA 0.094 63.185 63.100 -0.015 0.000 0.780 366 P CB 1.011 32.694 31.700 -0.028 0.000 0.898 367 T N 0.408 115.006 114.554 0.073 0.000 3.057 367 T HA 0.168 4.517 4.350 -0.001 0.000 0.254 367 T C 1.422 176.196 174.700 0.122 0.000 1.094 367 T CA 1.003 63.176 62.100 0.121 0.000 1.088 367 T CB -1.068 67.932 68.868 0.221 0.000 0.934 367 T HN 0.727 nan 8.240 nan 0.000 0.497 368 G N 1.562 110.435 108.800 0.123 0.000 2.175 368 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.265 368 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.265 368 G C 0.217 175.202 174.900 0.143 0.000 0.979 368 G CA 0.843 46.007 45.100 0.105 0.000 0.663 368 G HN 0.515 nan 8.290 nan 0.000 0.533 369 K N -0.200 120.343 120.400 0.238 0.000 2.155 369 K HA 0.658 4.977 4.320 -0.001 0.000 0.237 369 K C 0.971 177.692 176.600 0.202 0.000 1.040 369 K CA -0.497 55.877 56.287 0.143 0.000 0.912 369 K CB 0.273 32.768 32.500 -0.008 0.000 1.137 369 K HN 0.303 nan 8.250 nan 0.000 0.498 370 R N 0.902 121.406 120.500 0.007 0.000 2.207 370 R HA 0.315 4.655 4.340 -0.001 0.000 0.334 370 R C -0.797 175.441 176.300 -0.103 0.000 1.013 370 R CA -0.277 55.849 56.100 0.042 0.000 0.858 370 R CB 0.298 30.594 30.300 -0.006 0.000 1.094 370 R HN 0.260 nan 8.270 nan 0.000 0.457 371 F N 2.783 122.718 119.950 -0.025 0.000 2.443 371 F HA 0.360 4.887 4.527 -0.001 0.000 0.335 371 F C -0.131 175.639 175.800 -0.049 0.000 1.104 371 F CA -1.158 56.816 58.000 -0.044 0.000 1.013 371 F CB 1.317 40.325 39.000 0.014 0.000 1.136 371 F HN 0.220 nan 8.300 nan 0.000 0.470 372 L N 5.009 126.222 121.223 -0.018 0.000 2.294 372 L HA 0.557 4.896 4.340 -0.001 0.000 0.283 372 L C -1.278 175.667 176.870 0.124 0.000 1.015 372 L CA -0.416 54.419 54.840 -0.009 0.000 0.831 372 L CB 0.785 42.635 42.059 -0.348 0.000 1.217 372 L HN 0.457 nan 8.230 nan 0.000 0.420 373 L N 5.612 126.960 121.223 0.209 0.000 2.280 373 L HA 0.775 5.114 4.340 -0.001 0.000 0.287 373 L C 0.003 177.064 176.870 0.318 0.000 1.023 373 L CA -0.576 54.465 54.840 0.335 0.000 0.819 373 L CB 1.444 43.717 42.059 0.356 0.000 1.212 373 L HN 0.736 nan 8.230 nan 0.000 0.420 374 A N 5.578 128.645 122.820 0.412 0.000 2.287 374 A HA 0.751 5.070 4.320 -0.001 0.000 0.317 374 A C -0.482 177.446 177.584 0.572 0.000 1.220 374 A CA -0.425 51.876 52.037 0.439 0.000 0.835 374 A CB 0.539 19.794 19.000 0.425 0.000 1.180 374 A HN 0.689 nan 8.150 nan 0.000 0.500 375 I N 2.362 123.128 120.570 0.326 0.000 2.315 375 I HA 0.167 4.336 4.170 -0.001 0.000 0.291 375 I C -0.240 175.700 176.117 -0.296 0.000 1.006 375 I CA -0.596 60.779 61.300 0.124 0.000 1.265 375 I CB 1.441 39.431 38.000 -0.017 0.000 1.387 375 I HN 0.586 nan 8.210 nan 0.000 0.475 376 D N 6.773 126.927 120.400 -0.411 0.000 2.358 376 D HA 0.104 4.743 4.640 -0.001 0.000 0.258 376 D C 0.368 176.393 176.300 -0.459 0.000 1.223 376 D CA -0.041 53.441 54.000 -0.862 0.000 0.886 376 D CB 1.359 41.933 40.800 -0.377 0.000 1.120 376 D HN 0.347 nan 8.370 nan 0.000 0.482 377 V N 1.730 121.363 119.914 -0.469 0.000 2.915 377 V HA 0.252 4.372 4.120 -0.001 0.000 0.364 377 V C 0.687 176.656 176.094 -0.208 0.000 1.354 377 V CA -0.430 61.718 62.300 -0.255 0.000 1.213 377 V CB -0.690 31.018 31.823 -0.191 0.000 1.268 377 V HN 0.431 nan 8.190 nan 0.000 0.557 378 S N 0.664 116.229 115.700 -0.225 0.000 2.634 378 S HA 0.702 5.172 4.470 -0.001 0.000 0.261 378 S C 1.687 176.171 174.600 -0.193 0.000 1.271 378 S CA 0.242 58.345 58.200 -0.162 0.000 0.985 378 S CB 1.535 64.662 63.200 -0.120 0.000 0.968 378 S HN 1.033 nan 8.310 nan 0.000 0.568 379 A N 1.479 124.173 122.820 -0.209 0.000 1.917 379 A HA -0.111 4.209 4.320 -0.001 0.000 0.219 379 A C 2.472 179.694 177.584 -0.602 0.000 1.182 379 A CA 2.397 54.253 52.037 -0.302 0.000 0.633 379 A CB -1.850 17.002 19.000 -0.246 0.000 0.819 379 A HN 1.441 nan 8.150 nan 0.000 0.448 380 S N -1.058 114.158 115.700 -0.807 0.000 2.474 380 S HA -0.069 4.400 4.470 -0.001 0.000 0.235 380 S C 1.580 175.919 174.600 -0.435 0.000 0.997 380 S CA 1.352 58.863 58.200 -1.149 0.000 0.949 380 S CB -0.406 62.426 63.200 -0.614 0.000 0.766 380 S HN 0.385 nan 8.310 nan 0.000 0.517 381 M N 2.198 121.637 119.600 -0.268 0.000 2.686 381 M HA 0.133 4.613 4.480 -0.001 0.000 0.246 381 M C 1.731 177.971 176.300 -0.100 0.000 1.096 381 M CA 0.277 55.494 55.300 -0.139 0.000 1.076 381 M CB -1.562 30.963 32.600 -0.124 0.000 1.504 381 M HN 0.596 nan 8.290 nan 0.000 0.524 382 N N 1.499 120.132 118.700 -0.113 0.000 2.494 382 N HA -0.062 4.678 4.740 -0.001 0.000 0.182 382 N C 0.350 175.867 175.510 0.013 0.000 1.076 382 N CA -0.136 52.891 53.050 -0.038 0.000 0.908 382 N CB 0.450 38.928 38.487 -0.015 0.000 0.967 382 N HN 0.541 nan 8.380 nan 0.000 0.449 383 Q N 1.281 121.099 119.800 0.029 0.000 2.333 383 Q HA -0.000 4.339 4.340 -0.001 0.000 0.299 383 Q C -0.565 175.447 176.000 0.021 0.000 1.067 383 Q CA 0.118 55.956 55.803 0.057 0.000 0.943 383 Q CB 0.581 29.361 28.738 0.070 0.000 1.233 383 Q HN 0.048 nan 8.270 nan 0.000 0.401 384 R N 1.823 122.339 120.500 0.027 0.000 2.441 384 R HA 0.369 4.709 4.340 -0.001 0.000 0.284 384 R C -0.615 175.700 176.300 0.025 0.000 1.070 384 R CA -0.603 55.517 56.100 0.033 0.000 1.047 384 R CB 1.115 31.438 30.300 0.040 0.000 1.016 384 R HN 0.526 nan 8.270 nan 0.000 0.477 385 V N 4.554 124.502 119.914 0.057 0.000 2.398 385 V HA 0.173 4.293 4.120 -0.001 0.000 0.286 385 V C 1.254 177.390 176.094 0.069 0.000 1.026 385 V CA -0.675 61.651 62.300 0.043 0.000 0.868 385 V CB 1.082 32.952 31.823 0.079 0.000 0.982 385 V HN 0.776 nan 8.190 nan 0.000 0.443 386 L N 4.572 125.794 121.223 -0.001 0.000 3.839 386 L HA -0.264 4.076 4.340 -0.001 0.000 0.416 386 L C 1.451 178.362 176.870 0.068 0.000 1.195 386 L CA 0.706 55.528 54.840 -0.030 0.000 0.946 386 L CB -1.485 40.405 42.059 -0.282 0.000 1.891 386 L HN 1.198 nan 8.230 nan 0.000 0.963 387 G N -0.845 107.997 108.800 0.070 0.000 2.166 387 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.260 387 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.260 387 G C 0.460 175.422 174.900 0.103 0.000 0.986 387 G CA 0.851 45.996 45.100 0.075 0.000 0.683 387 G HN 1.008 nan 8.290 nan 0.000 0.527 388 S N -0.504 115.285 115.700 0.149 0.000 2.713 388 S HA 0.694 5.163 4.470 -0.001 0.000 0.277 388 S C 1.606 176.263 174.600 0.096 0.000 1.168 388 S CA -0.292 57.998 58.200 0.149 0.000 0.994 388 S CB 1.229 64.576 63.200 0.246 0.000 1.054 388 S HN 1.098 nan 8.310 nan 0.000 0.555 389 I N -1.001 119.607 120.570 0.063 0.000 3.684 389 I HA 0.330 4.499 4.170 -0.001 0.000 0.304 389 I C -0.193 175.944 176.117 0.033 0.000 1.278 389 I CA 0.014 61.338 61.300 0.041 0.000 1.272 389 I CB -1.697 36.318 38.000 0.026 0.000 1.029 389 I HN 0.434 nan 8.210 nan 0.000 0.458 390 L N 3.582 124.834 121.223 0.048 0.000 2.290 390 L HA 0.258 4.598 4.340 -0.001 0.000 0.284 390 L C 0.285 177.189 176.870 0.057 0.000 1.078 390 L CA -0.458 54.404 54.840 0.038 0.000 0.815 390 L CB 0.463 42.538 42.059 0.026 0.000 1.162 390 L HN 0.277 nan 8.230 nan 0.000 0.435 391 N N 2.387 121.104 118.700 0.027 0.000 2.434 391 N HA 0.295 5.035 4.740 -0.001 0.000 0.266 391 N C 0.720 176.242 175.510 0.021 0.000 1.223 391 N CA -0.127 52.935 53.050 0.019 0.000 0.972 391 N CB 0.956 39.442 38.487 -0.002 0.000 1.207 391 N HN 0.573 nan 8.380 nan 0.000 0.525 392 A N 0.324 123.143 122.820 -0.001 0.000 1.978 392 A HA -0.147 4.173 4.320 -0.001 0.000 0.220 392 A C 2.053 179.646 177.584 0.016 0.000 1.170 392 A CA 1.755 53.791 52.037 -0.002 0.000 0.636 392 A CB -1.194 17.779 19.000 -0.045 0.000 0.810 392 A HN 0.703 nan 8.150 nan 0.000 0.448 393 S N -0.746 114.944 115.700 -0.017 0.000 2.402 393 S HA -0.083 4.387 4.470 -0.001 0.000 0.229 393 S C 1.851 176.438 174.600 -0.021 0.000 1.021 393 S CA 1.211 59.391 58.200 -0.033 0.000 0.974 393 S CB -0.277 62.881 63.200 -0.070 0.000 0.800 393 S HN 0.358 nan 8.310 nan 0.000 0.484 394 V N 1.331 121.239 119.914 -0.009 0.000 2.307 394 V HA -0.114 4.006 4.120 -0.001 0.000 0.245 394 V C 2.284 178.398 176.094 0.034 0.000 1.045 394 V CA 1.382 63.675 62.300 -0.012 0.000 1.024 394 V CB -0.601 31.211 31.823 -0.018 0.000 0.651 394 V HN 0.335 nan 8.190 nan 0.000 0.449 395 V N 0.339 120.310 119.914 0.096 0.000 2.343 395 V HA -0.235 3.885 4.120 -0.001 0.000 0.247 395 V C 2.684 178.965 176.094 0.311 0.000 1.051 395 V CA 1.922 64.358 62.300 0.226 0.000 1.036 395 V CB -1.130 30.840 31.823 0.245 0.000 0.654 395 V HN 0.554 nan 8.190 nan 0.000 0.451 396 A N 0.094 123.015 122.820 0.167 0.000 1.902 396 A HA -0.105 4.215 4.320 -0.001 0.000 0.217 396 A C 2.431 179.888 177.584 -0.213 0.000 1.181 396 A CA 2.015 54.082 52.037 0.050 0.000 0.623 396 A CB -0.750 18.300 19.000 0.085 0.000 0.818 396 A HN 0.566 nan 8.150 nan 0.000 0.443 397 A N -0.164 122.587 122.820 -0.116 0.000 1.933 397 A HA 0.159 4.479 4.320 -0.001 0.000 0.218 397 A C 2.472 179.986 177.584 -0.116 0.000 1.175 397 A CA 2.027 53.971 52.037 -0.155 0.000 0.628 397 A CB -0.918 18.023 19.000 -0.099 0.000 0.814 397 A HN 1.039 nan 8.150 nan 0.000 0.444 398 A N -1.159 121.665 122.820 0.006 0.000 1.930 398 A HA -0.074 4.245 4.320 -0.001 0.000 0.217 398 A C 2.148 179.834 177.584 0.171 0.000 1.175 398 A CA 1.839 53.920 52.037 0.074 0.000 0.627 398 A CB -0.427 18.710 19.000 0.228 0.000 0.815 398 A HN 0.407 nan 8.150 nan 0.000 0.443 399 M N -0.908 118.755 119.600 0.105 0.000 2.175 399 M HA -0.118 4.362 4.480 -0.001 0.000 0.264 399 M C 2.446 178.593 176.300 -0.255 0.000 1.063 399 M CA 1.157 56.416 55.300 -0.068 0.000 1.119 399 M CB -1.698 30.934 32.600 0.053 0.000 1.377 399 M HN 0.666 nan 8.290 nan 0.000 0.415 400 C N 0.721 119.672 119.300 -0.583 0.000 2.429 400 C HA -0.163 4.297 4.460 -0.001 0.000 0.277 400 C C 2.834 177.751 174.990 -0.122 0.000 1.262 400 C CA 0.803 59.530 59.018 -0.484 0.000 1.733 400 C CB -0.640 26.764 27.740 -0.559 0.000 2.010 400 C HN 0.464 nan 8.230 nan 0.000 0.483 401 M N 0.219 119.787 119.600 -0.054 0.000 2.159 401 M HA -0.100 4.380 4.480 -0.001 0.000 0.263 401 M C 2.128 178.549 176.300 0.202 0.000 1.063 401 M CA 1.409 56.763 55.300 0.090 0.000 1.110 401 M CB -1.583 31.113 32.600 0.160 0.000 1.374 401 M HN 0.506 nan 8.290 nan 0.000 0.411 402 L N 0.285 121.609 121.223 0.168 0.000 1.989 402 L HA -0.145 4.194 4.340 -0.001 0.000 0.211 402 L C 2.310 179.134 176.870 -0.077 0.000 1.071 402 L CA 1.670 56.541 54.840 0.052 0.000 0.749 402 L CB -0.819 40.963 42.059 -0.461 0.000 0.890 402 L HN 0.038 nan 8.230 nan 0.000 0.431 403 V N 0.249 120.102 119.914 -0.102 0.000 2.295 403 V HA -0.297 3.822 4.120 -0.001 0.000 0.246 403 V C 2.832 178.830 176.094 -0.161 0.000 1.049 403 V CA 1.734 63.951 62.300 -0.139 0.000 1.024 403 V CB -1.504 30.300 31.823 -0.032 0.000 0.648 403 V HN 0.639 nan 8.190 nan 0.000 0.447 404 A N -0.320 122.453 122.820 -0.079 0.000 1.933 404 A HA -0.201 4.119 4.320 -0.001 0.000 0.218 404 A C 2.325 179.852 177.584 -0.095 0.000 1.175 404 A CA 1.461 53.455 52.037 -0.072 0.000 0.628 404 A CB -0.451 18.533 19.000 -0.026 0.000 0.814 404 A HN 0.379 nan 8.150 nan 0.000 0.444 405 R N -0.286 120.155 120.500 -0.099 0.000 2.115 405 R HA -0.079 4.261 4.340 -0.001 0.000 0.230 405 R C 2.244 178.448 176.300 -0.160 0.000 1.111 405 R CA 1.868 57.866 56.100 -0.172 0.000 0.976 405 R CB -1.129 28.970 30.300 -0.336 0.000 0.870 405 R HN 0.783 nan 8.270 nan 0.000 0.445 406 T N -1.999 112.464 114.554 -0.152 0.000 3.044 406 T HA 0.111 4.460 4.350 -0.001 0.000 0.255 406 T C 0.615 175.219 174.700 -0.160 0.000 1.073 406 T CA 0.131 62.142 62.100 -0.148 0.000 1.125 406 T CB 0.363 69.141 68.868 -0.150 0.000 0.908 406 T HN -0.105 nan 8.240 nan 0.000 0.480 407 E N 1.819 121.888 120.200 -0.217 0.000 2.173 407 E HA 0.299 4.649 4.350 -0.001 0.000 0.249 407 E C 0.551 177.081 176.600 -0.115 0.000 0.923 407 E CA -0.445 55.816 56.400 -0.232 0.000 0.754 407 E CB 1.474 30.820 29.700 -0.591 0.000 1.177 407 E HN 0.072 nan 8.360 nan 0.000 0.430 408 K N 1.377 121.744 120.400 -0.055 0.000 2.071 408 K HA -0.200 4.119 4.320 -0.001 0.000 0.217 408 K C 0.462 177.076 176.600 0.024 0.000 1.054 408 K CA 1.366 57.644 56.287 -0.016 0.000 0.937 408 K CB 0.069 32.567 32.500 -0.004 0.000 0.719 408 K HN 0.335 nan 8.250 nan 0.000 0.454 409 D N 1.516 121.953 120.400 0.061 0.000 2.688 409 D HA 0.063 4.703 4.640 -0.001 0.000 0.228 409 D C -1.058 175.341 176.300 0.166 0.000 1.116 409 D CA 0.205 54.271 54.000 0.109 0.000 1.023 409 D CB -0.159 40.715 40.800 0.124 0.000 1.100 409 D HN -0.043 nan 8.370 nan 0.000 0.487 410 S N 1.333 117.111 115.700 0.130 0.000 2.521 410 S HA 0.270 4.740 4.470 -0.001 0.000 0.295 410 S C -0.796 173.920 174.600 0.194 0.000 1.098 410 S CA -0.710 57.587 58.200 0.163 0.000 0.999 410 S CB 1.829 65.067 63.200 0.062 0.000 1.034 410 S HN 0.448 nan 8.310 nan 0.000 0.483 411 H N 2.422 121.557 119.070 0.109 0.000 2.589 411 H HA 0.569 5.125 4.556 -0.001 0.000 0.335 411 H C -0.826 174.559 175.328 0.095 0.000 1.019 411 H CA -0.530 55.580 56.048 0.102 0.000 1.213 411 H CB 0.578 30.424 29.762 0.139 0.000 1.472 411 H HN 0.505 nan 8.280 nan 0.000 0.508 412 M N 5.727 125.116 119.600 -0.351 0.000 2.264 412 M HA 0.438 4.917 4.480 -0.001 0.000 0.352 412 M C -0.703 175.371 176.300 -0.376 0.000 1.173 412 M CA -1.082 54.075 55.300 -0.238 0.000 1.075 412 M CB 1.624 34.142 32.600 -0.137 0.000 1.621 412 M HN 0.449 nan 8.290 nan 0.000 0.457 413 V N -0.212 119.588 119.914 -0.189 0.000 3.130 413 V HA 1.071 5.190 4.120 -0.001 0.000 0.310 413 V C -1.048 175.020 176.094 -0.043 0.000 1.158 413 V CA -0.861 61.311 62.300 -0.213 0.000 1.029 413 V CB 1.719 33.341 31.823 -0.335 0.000 1.057 413 V HN 0.978 nan 8.190 nan 0.000 0.436 414 A N 2.294 125.084 122.820 -0.050 0.000 2.454 414 A HA 1.087 5.407 4.320 -0.001 0.000 0.302 414 A C -1.021 176.612 177.584 0.082 0.000 1.079 414 A CA -0.539 51.491 52.037 -0.012 0.000 0.731 414 A CB 1.822 20.773 19.000 -0.081 0.000 1.299 414 A HN 2.244 nan 8.150 nan 0.000 0.413 415 F N -0.677 119.246 119.950 -0.045 0.000 2.719 415 F HA 0.743 5.269 4.527 -0.001 0.000 0.309 415 F C 0.212 176.002 175.800 -0.016 0.000 1.138 415 F CA 0.017 57.995 58.000 -0.036 0.000 0.943 415 F CB 0.865 39.851 39.000 -0.024 0.000 1.304 415 F HN 0.811 nan 8.300 nan 0.000 0.445 416 S N 0.057 115.833 115.700 0.127 0.000 3.576 416 S HA 0.272 4.742 4.470 -0.001 0.000 0.179 416 S C 0.104 174.828 174.600 0.208 0.000 0.977 416 S CA 0.491 58.720 58.200 0.049 0.000 1.189 416 S CB -0.218 62.972 63.200 -0.017 0.000 1.443 416 S HN 0.747 nan 8.310 nan 0.000 0.874 417 D N 1.545 122.017 120.400 0.119 0.000 2.402 417 D HA 0.290 4.929 4.640 -0.001 0.000 0.216 417 D C 0.227 176.585 176.300 0.097 0.000 1.128 417 D CA -0.216 53.847 54.000 0.106 0.000 0.833 417 D CB -0.096 40.740 40.800 0.061 0.000 0.971 417 D HN 0.816 nan 8.370 nan 0.000 0.503 418 E N -0.846 119.423 120.200 0.115 0.000 2.407 418 E HA 0.292 4.641 4.350 -0.001 0.000 0.279 418 E C -0.894 175.774 176.600 0.112 0.000 1.012 418 E CA -1.082 55.377 56.400 0.097 0.000 0.800 418 E CB 0.918 30.659 29.700 0.069 0.000 1.276 418 E HN -0.266 nan 8.360 nan 0.000 0.452 419 M N 1.829 121.481 119.600 0.087 0.000 2.243 419 M HA 0.365 4.845 4.480 -0.001 0.000 0.341 419 M C -0.348 175.958 176.300 0.009 0.000 1.130 419 M CA 0.065 55.381 55.300 0.027 0.000 1.162 419 M CB -0.217 32.326 32.600 -0.094 0.000 1.497 419 M HN 0.576 nan 8.290 nan 0.000 0.456 420 L N 3.641 124.851 121.223 -0.023 0.000 2.371 420 L HA 0.537 4.877 4.340 -0.001 0.000 0.262 420 L C -2.037 174.800 176.870 -0.055 0.000 1.006 420 L CA -1.950 52.875 54.840 -0.026 0.000 0.818 420 L CB 2.192 44.237 42.059 -0.024 0.000 1.354 420 L HN 0.498 nan 8.230 nan 0.000 0.415 421 P HA -0.049 nan 4.420 nan 0.000 0.264 421 P C -0.559 176.706 177.300 -0.057 0.000 1.193 421 P CA -0.229 62.849 63.100 -0.037 0.000 0.763 421 P CB 0.720 32.413 31.700 -0.012 0.000 0.810 422 C N 7.382 126.636 119.300 -0.077 0.000 2.540 422 C HA 0.152 4.611 4.460 -0.001 0.000 0.377 422 C C -0.151 174.800 174.990 -0.065 0.000 1.274 422 C CA -1.449 57.517 59.018 -0.088 0.000 1.718 422 C CB -0.800 26.864 27.740 -0.126 0.000 2.391 422 C HN 0.523 nan 8.230 nan 0.000 0.565 423 P HA -0.028 nan 4.420 nan 0.000 0.228 423 P C 0.146 177.412 177.300 -0.055 0.000 1.151 423 P CA 1.121 64.190 63.100 -0.053 0.000 0.770 423 P CB -0.147 31.520 31.700 -0.054 0.000 0.786 424 I N -2.705 117.827 120.570 -0.064 0.000 2.740 424 I HA 0.650 4.819 4.170 -0.001 0.000 0.303 424 I C -0.741 175.342 176.117 -0.057 0.000 1.044 424 I CA -1.083 60.179 61.300 -0.063 0.000 1.064 424 I CB 2.544 40.501 38.000 -0.072 0.000 1.249 424 I HN -0.297 nan 8.210 nan 0.000 0.433 425 T N 0.988 115.514 114.554 -0.046 0.000 2.876 425 T HA 0.268 4.618 4.350 -0.001 0.000 0.289 425 T C 0.558 175.240 174.700 -0.029 0.000 1.014 425 T CA -0.634 61.445 62.100 -0.034 0.000 0.986 425 T CB 2.029 70.884 68.868 -0.021 0.000 1.021 425 T HN 0.607 nan 8.240 nan 0.000 0.458 426 V N 2.589 122.489 119.914 -0.023 0.000 2.794 426 V HA -0.219 3.901 4.120 -0.001 0.000 0.260 426 V C 1.932 178.012 176.094 -0.025 0.000 1.103 426 V CA 2.736 65.023 62.300 -0.021 0.000 1.125 426 V CB -1.364 30.445 31.823 -0.024 0.000 0.702 426 V HN 1.009 nan 8.190 nan 0.000 0.494 427 N N -1.202 117.485 118.700 -0.022 0.000 2.412 427 N HA 0.048 4.787 4.740 -0.001 0.000 0.184 427 N C 0.664 176.162 175.510 -0.020 0.000 1.101 427 N CA 0.274 53.311 53.050 -0.021 0.000 0.881 427 N CB -0.331 38.148 38.487 -0.014 0.000 0.969 427 N HN 0.455 nan 8.380 nan 0.000 0.459 428 M N 0.599 120.181 119.600 -0.030 0.000 2.245 428 M HA 0.092 4.572 4.480 -0.001 0.000 0.330 428 M C -0.019 176.250 176.300 -0.052 0.000 1.098 428 M CA -0.345 54.920 55.300 -0.058 0.000 1.172 428 M CB 0.677 33.226 32.600 -0.085 0.000 1.467 428 M HN 0.053 nan 8.290 nan 0.000 0.454 429 L N 1.944 123.100 121.223 -0.112 0.000 2.439 429 L HA 0.172 4.512 4.340 -0.001 0.000 0.261 429 L C 1.409 178.171 176.870 -0.180 0.000 1.153 429 L CA 0.208 55.000 54.840 -0.080 0.000 0.808 429 L CB 0.671 42.698 42.059 -0.052 0.000 1.126 429 L HN 0.860 nan 8.230 nan 0.000 0.460 430 L N 1.249 122.425 121.223 -0.078 0.000 2.043 430 L HA -0.309 4.030 4.340 -0.001 0.000 0.212 430 L C 2.481 179.249 176.870 -0.169 0.000 1.075 430 L CA 1.821 56.564 54.840 -0.162 0.000 0.752 430 L CB -0.391 41.532 42.059 -0.227 0.000 0.891 430 L HN 0.875 nan 8.230 nan 0.000 0.432 431 H N -1.655 117.385 119.070 -0.051 0.000 2.422 431 H HA -0.159 4.396 4.556 -0.001 0.000 0.298 431 H C 1.903 177.204 175.328 -0.045 0.000 1.098 431 H CA 1.424 57.445 56.048 -0.045 0.000 1.315 431 H CB -0.347 29.405 29.762 -0.016 0.000 1.382 431 H HN 0.378 nan 8.280 nan 0.000 0.523 432 E N 0.558 120.358 120.200 -0.667 0.000 2.072 432 E HA -0.098 4.252 4.350 -0.001 0.000 0.190 432 E C 2.383 178.874 176.600 -0.183 0.000 0.982 432 E CA 1.122 57.304 56.400 -0.364 0.000 0.803 432 E CB 0.102 29.580 29.700 -0.371 0.000 0.755 432 E HN 0.382 nan 8.360 nan 0.000 0.453 433 V N 1.073 120.878 119.914 -0.181 0.000 2.287 433 V HA -0.269 3.851 4.120 -0.001 0.000 0.248 433 V C 2.433 178.466 176.094 -0.103 0.000 1.053 433 V CA 1.477 63.701 62.300 -0.127 0.000 1.027 433 V CB -0.529 31.214 31.823 -0.133 0.000 0.646 433 V HN 0.128 nan 8.190 nan 0.000 0.447 434 V N -0.302 119.550 119.914 -0.103 0.000 2.287 434 V HA -0.326 3.793 4.120 -0.001 0.000 0.248 434 V C 2.418 178.481 176.094 -0.052 0.000 1.053 434 V CA 2.346 64.602 62.300 -0.073 0.000 1.027 434 V CB -0.699 31.086 31.823 -0.063 0.000 0.646 434 V HN 0.596 nan 8.190 nan 0.000 0.447 435 E N -0.150 120.025 120.200 -0.041 0.000 2.038 435 E HA -0.222 4.127 4.350 -0.001 0.000 0.195 435 E C 2.337 178.915 176.600 -0.036 0.000 1.000 435 E CA 1.229 57.613 56.400 -0.027 0.000 0.803 435 E CB -0.128 29.567 29.700 -0.008 0.000 0.750 435 E HN 0.426 nan 8.360 nan 0.000 0.448 436 K N -0.092 120.279 120.400 -0.048 0.000 2.147 436 K HA -0.094 4.225 4.320 -0.001 0.000 0.205 436 K C 1.741 178.312 176.600 -0.049 0.000 1.049 436 K CA 0.992 57.250 56.287 -0.048 0.000 0.936 436 K CB -0.026 32.440 32.500 -0.057 0.000 0.722 436 K HN 0.259 nan 8.250 nan 0.000 0.446 437 M N 0.161 119.729 119.600 -0.053 0.000 2.502 437 M HA 0.099 4.578 4.480 -0.001 0.000 0.243 437 M C 1.656 177.929 176.300 -0.045 0.000 1.130 437 M CA 0.483 55.750 55.300 -0.054 0.000 1.055 437 M CB -0.340 32.224 32.600 -0.059 0.000 1.457 437 M HN -0.115 nan 8.290 nan 0.000 0.488 438 S N 1.373 117.050 115.700 -0.038 0.000 2.382 438 S HA -0.099 4.370 4.470 -0.001 0.000 0.228 438 S C 0.886 175.469 174.600 -0.028 0.000 1.027 438 S CA 1.197 59.379 58.200 -0.030 0.000 0.991 438 S CB -0.052 63.133 63.200 -0.025 0.000 0.823 438 S HN 0.485 nan 8.310 nan 0.000 0.469 439 D N -0.216 120.166 120.400 -0.030 0.000 2.623 439 D HA 0.280 4.919 4.640 -0.001 0.000 0.252 439 D C 0.647 176.926 176.300 -0.035 0.000 1.294 439 D CA -0.068 53.915 54.000 -0.028 0.000 0.824 439 D CB 0.321 41.108 40.800 -0.022 0.000 1.070 439 D HN 0.304 nan 8.370 nan 0.000 0.487 440 I N 1.393 121.936 120.570 -0.045 0.000 3.728 440 I HA -0.056 4.113 4.170 -0.001 0.000 0.307 440 I C 0.402 176.480 176.117 -0.066 0.000 1.276 440 I CA 0.573 61.841 61.300 -0.053 0.000 1.285 440 I CB 0.312 38.276 38.000 -0.060 0.000 1.038 440 I HN -0.145 nan 8.210 nan 0.000 0.445 441 T N 1.210 115.723 114.554 -0.068 0.000 2.832 441 T HA 0.516 4.865 4.350 -0.001 0.000 0.296 441 T C -0.265 174.387 174.700 -0.081 0.000 0.968 441 T CA -0.484 61.562 62.100 -0.089 0.000 1.107 441 T CB 1.171 69.979 68.868 -0.100 0.000 0.916 441 T HN 0.372 nan 8.240 nan 0.000 0.517 442 M N 0.621 120.166 119.600 -0.091 0.000 3.019 442 M HA 0.571 5.050 4.480 -0.001 0.000 0.256 442 M C -0.292 175.970 176.300 -0.064 0.000 0.911 442 M CA -0.388 54.869 55.300 -0.072 0.000 0.794 442 M CB 0.665 33.239 32.600 -0.043 0.000 1.643 442 M HN 1.711 nan 8.290 nan 0.000 0.572 443 G N 1.224 109.997 108.800 -0.046 0.000 2.707 443 G HA2 0.043 4.002 3.960 -0.001 0.000 0.686 443 G HA3 0.043 4.002 3.960 -0.001 0.000 0.686 443 G C -0.809 174.077 174.900 -0.022 0.000 1.315 443 G CA -0.278 44.808 45.100 -0.023 0.000 0.832 443 G HN 1.075 nan 8.290 nan 0.000 0.573 444 S N -1.047 114.658 115.700 0.007 0.000 2.625 444 S HA 0.781 5.250 4.470 -0.001 0.000 0.262 444 S C 0.528 175.151 174.600 0.038 0.000 1.223 444 S CA 0.600 58.814 58.200 0.023 0.000 0.993 444 S CB 0.879 64.097 63.200 0.031 0.000 1.051 444 S HN 1.083 nan 8.310 nan 0.000 0.562 445 T N 1.599 116.188 114.554 0.058 0.000 2.879 445 T HA 0.407 4.756 4.350 -0.001 0.000 0.290 445 T C -1.441 173.330 174.700 0.118 0.000 0.993 445 T CA -0.560 61.607 62.100 0.111 0.000 0.975 445 T CB 1.318 70.246 68.868 0.100 0.000 0.981 445 T HN 0.445 nan 8.240 nan 0.000 0.439 446 D N 1.812 122.325 120.400 0.188 0.000 2.375 446 D HA 0.240 4.879 4.640 -0.001 0.000 0.259 446 D C 0.641 176.937 176.300 -0.007 0.000 1.235 446 D CA -0.640 53.403 54.000 0.072 0.000 0.924 446 D CB 0.447 41.271 40.800 0.039 0.000 1.143 446 D HN 0.511 nan 8.370 nan 0.000 0.529 447 C N 2.415 121.716 119.300 0.001 0.000 2.485 447 C HA 0.116 4.576 4.460 -0.001 0.000 0.283 447 C C 2.281 177.123 174.990 -0.247 0.000 1.478 447 C CA 0.823 59.765 59.018 -0.125 0.000 1.741 447 C CB -1.442 26.326 27.740 0.047 0.000 1.675 447 C HN 0.706 nan 8.230 nan 0.000 0.573 448 A N -0.213 122.500 122.820 -0.177 0.000 2.123 448 A HA 0.088 4.408 4.320 -0.001 0.000 0.214 448 A C 1.858 179.339 177.584 -0.171 0.000 1.152 448 A CA 0.685 52.635 52.037 -0.145 0.000 0.728 448 A CB -0.289 18.668 19.000 -0.072 0.000 0.814 448 A HN 0.381 nan 8.150 nan 0.000 0.464 449 L N 0.311 121.394 121.223 -0.232 0.000 1.997 449 L HA -0.150 4.189 4.340 -0.001 0.000 0.216 449 L C -0.405 176.424 176.870 -0.068 0.000 1.074 449 L CA 2.408 57.155 54.840 -0.155 0.000 0.763 449 L CB -1.967 39.970 42.059 -0.204 0.000 0.890 449 L HN 0.181 nan 8.230 nan 0.000 0.434 450 P HA -0.181 nan 4.420 nan 0.000 0.215 450 P C 1.887 179.340 177.300 0.256 0.000 1.157 450 P CA 1.479 64.629 63.100 0.082 0.000 0.874 450 P CB 0.003 31.728 31.700 0.042 0.000 0.790 451 M N -1.774 117.782 119.600 -0.074 0.000 2.099 451 M HA -0.077 4.403 4.480 -0.001 0.000 0.262 451 M C 2.091 178.426 176.300 0.058 0.000 1.067 451 M CA 1.704 56.834 55.300 -0.283 0.000 1.124 451 M CB -1.466 30.797 32.600 -0.560 0.000 1.353 451 M HN -0.155 nan 8.290 nan 0.000 0.410 452 L N -2.137 119.129 121.223 0.072 0.000 2.046 452 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 452 L C 2.417 179.404 176.870 0.196 0.000 1.077 452 L CA 1.383 56.295 54.840 0.121 0.000 0.747 452 L CB -0.790 41.318 42.059 0.081 0.000 0.896 452 L HN 0.508 nan 8.230 nan 0.000 0.432 453 W N 0.961 122.307 121.300 0.076 0.000 2.381 453 W HA -0.169 4.491 4.660 -0.001 0.000 0.301 453 W C 2.503 179.118 176.519 0.159 0.000 1.205 453 W CA 1.547 58.955 57.345 0.105 0.000 1.285 453 W CB -0.109 29.412 29.460 0.101 0.000 1.133 453 W HN 0.084 nan 8.180 nan 0.000 0.521 454 A N 0.120 123.107 122.820 0.277 0.000 1.933 454 A HA -0.277 4.043 4.320 -0.001 0.000 0.218 454 A C 2.008 179.671 177.584 0.133 0.000 1.175 454 A CA 2.012 54.120 52.037 0.118 0.000 0.628 454 A CB -1.023 18.254 19.000 0.462 0.000 0.814 454 A HN 0.600 nan 8.150 nan 0.000 0.444 455 Q N -0.513 119.440 119.800 0.254 0.000 1.994 455 Q HA -0.181 4.159 4.340 -0.001 0.000 0.198 455 Q C 1.853 177.825 176.000 -0.047 0.000 0.976 455 Q CA 1.412 57.299 55.803 0.139 0.000 0.828 455 Q CB -0.105 28.732 28.738 0.166 0.000 0.894 455 Q HN 0.425 nan 8.270 nan 0.000 0.432 456 K N 0.143 120.497 120.400 -0.076 0.000 2.074 456 K HA -0.143 4.177 4.320 -0.001 0.000 0.209 456 K C 2.067 178.550 176.600 -0.196 0.000 1.048 456 K CA 1.992 58.211 56.287 -0.114 0.000 0.926 456 K CB -0.925 31.524 32.500 -0.084 0.000 0.713 456 K HN 0.493 nan 8.250 nan 0.000 0.444 457 T N -1.594 112.730 114.554 -0.383 0.000 3.169 457 T HA 0.047 4.397 4.350 -0.001 0.000 0.250 457 T C 0.442 174.967 174.700 -0.292 0.000 1.111 457 T CA 0.163 62.017 62.100 -0.411 0.000 1.010 457 T CB -0.486 67.916 68.868 -0.778 0.000 0.984 457 T HN 0.211 nan 8.240 nan 0.000 0.537 458 N N 1.902 120.480 118.700 -0.203 0.000 2.716 458 N HA -0.171 4.568 4.740 -0.001 0.000 0.250 458 N C -0.302 175.141 175.510 -0.111 0.000 1.033 458 N CA 1.103 54.075 53.050 -0.129 0.000 0.727 458 N CB -1.579 36.843 38.487 -0.108 0.000 0.950 458 N HN 0.854 nan 8.380 nan 0.000 0.541 459 T N -2.102 112.377 114.554 -0.125 0.000 2.780 459 T HA 0.665 5.014 4.350 -0.001 0.000 0.294 459 T C 0.469 175.216 174.700 0.078 0.000 0.949 459 T CA -0.326 61.727 62.100 -0.079 0.000 1.074 459 T CB 1.746 70.515 68.868 -0.165 0.000 0.910 459 T HN 0.454 nan 8.240 nan 0.000 0.501 460 A N 2.808 125.656 122.820 0.047 0.000 2.362 460 A HA 0.714 5.034 4.320 -0.001 0.000 0.276 460 A C 0.411 178.029 177.584 0.056 0.000 1.153 460 A CA -0.580 51.513 52.037 0.093 0.000 0.813 460 A CB -0.338 18.682 19.000 0.033 0.000 1.081 460 A HN 1.572 nan 8.150 nan 0.000 0.507 461 A N 2.355 125.222 122.820 0.079 0.000 2.459 461 A HA 0.606 4.925 4.320 -0.001 0.000 0.296 461 A C -0.081 177.443 177.584 -0.101 0.000 1.039 461 A CA -0.569 51.373 52.037 -0.159 0.000 0.698 461 A CB 0.996 19.636 19.000 -0.600 0.000 1.261 461 A HN 0.697 nan 8.150 nan 0.000 0.405 462 D N 0.822 121.116 120.400 -0.176 0.000 2.240 462 D HA 0.105 4.744 4.640 -0.001 0.000 0.206 462 D C 0.196 176.376 176.300 -0.199 0.000 0.963 462 D CA 1.270 55.186 54.000 -0.140 0.000 0.863 462 D CB 0.475 41.164 40.800 -0.186 0.000 0.973 462 D HN 0.413 nan 8.370 nan 0.000 0.501 463 I N 0.711 121.033 120.570 -0.413 0.000 2.533 463 I HA 0.278 4.447 4.170 -0.001 0.000 0.290 463 I C -0.781 175.155 176.117 -0.302 0.000 1.056 463 I CA -0.655 60.435 61.300 -0.348 0.000 1.057 463 I CB 1.451 39.012 38.000 -0.731 0.000 1.240 463 I HN -0.276 nan 8.210 nan 0.000 0.423 464 F N 5.838 125.738 119.950 -0.083 0.000 2.436 464 F HA 0.559 5.086 4.527 -0.001 0.000 0.340 464 F C 0.409 176.205 175.800 -0.005 0.000 1.113 464 F CA -0.496 57.484 58.000 -0.034 0.000 1.022 464 F CB 1.640 40.593 39.000 -0.077 0.000 1.128 464 F HN 0.156 nan 8.300 nan 0.000 0.466 465 I N 4.716 125.371 120.570 0.142 0.000 2.411 465 I HA 0.331 4.500 4.170 -0.001 0.000 0.284 465 I C -1.131 174.874 176.117 -0.187 0.000 1.012 465 I CA -0.848 60.409 61.300 -0.071 0.000 1.119 465 I CB 1.649 39.570 38.000 -0.132 0.000 1.261 465 I HN 0.162 nan 8.210 nan 0.000 0.448 466 V N 6.716 126.526 119.914 -0.174 0.000 2.347 466 V HA 0.336 4.456 4.120 -0.001 0.000 0.280 466 V C -0.389 175.625 176.094 -0.134 0.000 1.021 466 V CA -0.424 61.872 62.300 -0.006 0.000 0.847 466 V CB 1.000 32.891 31.823 0.113 0.000 0.990 466 V HN 0.372 nan 8.190 nan 0.000 0.444 467 F N 3.662 123.747 119.950 0.225 0.000 2.368 467 F HA 0.627 5.154 4.527 -0.001 0.000 0.362 467 F C 0.645 176.533 175.800 0.147 0.000 1.137 467 F CA 0.062 58.168 58.000 0.176 0.000 1.161 467 F CB 1.312 40.402 39.000 0.150 0.000 1.265 467 F HN 0.521 nan 8.300 nan 0.000 0.530 468 T N 0.483 115.188 114.554 0.252 0.000 2.739 468 T HA 0.241 4.591 4.350 -0.001 0.000 0.303 468 T C -0.298 174.491 174.700 0.148 0.000 1.389 468 T CA -0.644 61.568 62.100 0.187 0.000 1.001 468 T CB 1.296 70.309 68.868 0.242 0.000 1.436 468 T HN 0.516 nan 8.240 nan 0.000 0.500 469 D N -0.276 120.200 120.400 0.125 0.000 2.369 469 D HA 0.186 4.825 4.640 -0.001 0.000 0.211 469 D C 1.081 177.487 176.300 0.177 0.000 1.077 469 D CA 0.102 54.179 54.000 0.129 0.000 0.842 469 D CB -0.908 39.962 40.800 0.116 0.000 0.947 469 D HN 0.634 nan 8.370 nan 0.000 0.509 470 C N 0.584 119.983 119.300 0.165 0.000 4.392 470 C HA -0.135 4.324 4.460 -0.001 0.000 0.280 470 C C 0.547 175.584 174.990 0.077 0.000 1.381 470 C CA 0.256 59.366 59.018 0.154 0.000 1.871 470 C CB -2.147 25.717 27.740 0.207 0.000 1.323 470 C HN 0.423 nan 8.230 nan 0.000 0.772 471 E N 0.920 121.160 120.200 0.065 0.000 2.452 471 E HA 0.093 4.443 4.350 -0.001 0.000 0.293 471 E C 0.729 177.290 176.600 -0.065 0.000 1.535 471 E CA 0.239 56.598 56.400 -0.069 0.000 1.816 471 E CB 0.335 30.026 29.700 -0.016 0.000 1.494 471 E HN 0.667 nan 8.360 nan 0.000 0.464 472 T N 2.318 116.842 114.554 -0.051 0.000 2.932 472 T HA 0.050 4.400 4.350 -0.001 0.000 0.312 472 T C 0.695 175.339 174.700 -0.094 0.000 1.071 472 T CA 0.006 62.088 62.100 -0.031 0.000 1.128 472 T CB 0.225 69.080 68.868 -0.022 0.000 0.984 472 T HN 0.391 nan 8.240 nan 0.000 0.549 473 N N 2.647 121.310 118.700 -0.061 0.000 2.498 473 N HA 0.113 4.852 4.740 -0.001 0.000 0.272 473 N C -0.797 174.684 175.510 -0.049 0.000 1.534 473 N CA -0.368 52.636 53.050 -0.077 0.000 0.873 473 N CB -0.430 38.017 38.487 -0.067 0.000 1.415 473 N HN 0.436 nan 8.380 nan 0.000 0.496 474 V N -2.278 117.606 119.914 -0.051 0.000 2.815 474 V HA 0.625 4.745 4.120 -0.001 0.000 0.314 474 V C 0.202 176.261 176.094 -0.058 0.000 1.064 474 V CA -0.803 61.476 62.300 -0.036 0.000 0.952 474 V CB 1.827 33.643 31.823 -0.012 0.000 1.020 474 V HN 0.104 nan 8.190 nan 0.000 0.439 475 E N 2.340 122.516 120.200 -0.040 0.000 2.148 475 E HA 0.268 4.618 4.350 -0.001 0.000 0.308 475 E C -0.834 175.742 176.600 -0.040 0.000 1.278 475 E CA 0.045 56.419 56.400 -0.043 0.000 1.368 475 E CB 0.021 29.707 29.700 -0.024 0.000 1.229 475 E HN 0.779 nan 8.360 nan 0.000 0.494 476 D N 0.210 120.574 120.400 -0.061 0.000 2.566 476 D HA 0.187 4.826 4.640 -0.001 0.000 0.254 476 D C -0.404 175.855 176.300 -0.068 0.000 1.090 476 D CA -0.983 52.990 54.000 -0.044 0.000 1.034 476 D CB 1.754 42.535 40.800 -0.031 0.000 1.434 476 D HN 0.020 nan 8.370 nan 0.000 0.509 477 V N 0.185 120.082 119.914 -0.028 0.000 3.032 477 V HA 0.195 4.315 4.120 -0.001 0.000 0.307 477 V C 0.591 176.673 176.094 -0.020 0.000 1.097 477 V CA -0.014 62.287 62.300 0.002 0.000 1.191 477 V CB 0.128 31.971 31.823 0.032 0.000 0.964 477 V HN 0.499 nan 8.190 nan 0.000 0.494 478 H N 5.199 124.260 119.070 -0.014 0.000 2.871 478 H HA 0.129 4.685 4.556 -0.001 0.000 0.355 478 H C -1.426 173.900 175.328 -0.003 0.000 1.092 478 H CA -0.372 55.667 56.048 -0.015 0.000 1.420 478 H CB 1.394 31.146 29.762 -0.017 0.000 1.400 478 H HN 0.590 nan 8.280 nan 0.000 0.604 479 P HA -0.140 nan 4.420 nan 0.000 0.217 479 P C 1.180 178.520 177.300 0.067 0.000 1.150 479 P CA 1.504 64.628 63.100 0.041 0.000 0.832 479 P CB 0.071 31.785 31.700 0.024 0.000 0.787 480 A N -0.092 122.832 122.820 0.174 0.000 1.902 480 A HA -0.159 4.160 4.320 -0.001 0.000 0.217 480 A C 2.344 179.991 177.584 0.104 0.000 1.181 480 A CA 2.456 54.595 52.037 0.170 0.000 0.623 480 A CB -1.923 17.284 19.000 0.344 0.000 0.818 480 A HN 0.185 nan 8.150 nan 0.000 0.443 481 T N 0.361 114.987 114.554 0.121 0.000 2.708 481 T HA -0.046 4.304 4.350 -0.001 0.000 0.266 481 T C 2.243 176.971 174.700 0.047 0.000 1.037 481 T CA 1.702 63.852 62.100 0.083 0.000 1.146 481 T CB -0.527 68.403 68.868 0.104 0.000 0.865 481 T HN 0.615 nan 8.240 nan 0.000 0.435 482 A N 1.126 123.963 122.820 0.028 0.000 1.978 482 A HA -0.047 4.272 4.320 -0.001 0.000 0.220 482 A C 2.241 179.805 177.584 -0.033 0.000 1.170 482 A CA 1.339 53.372 52.037 -0.006 0.000 0.636 482 A CB -0.767 18.207 19.000 -0.043 0.000 0.810 482 A HN 0.414 nan 8.150 nan 0.000 0.448 483 L N -0.250 120.927 121.223 -0.076 0.000 2.056 483 L HA -0.108 4.232 4.340 -0.001 0.000 0.207 483 L C 2.210 179.093 176.870 0.021 0.000 1.078 483 L CA 2.250 57.019 54.840 -0.118 0.000 0.749 483 L CB -0.465 41.517 42.059 -0.128 0.000 0.901 483 L HN 0.340 nan 8.230 nan 0.000 0.433 484 K N -0.868 119.551 120.400 0.032 0.000 2.057 484 K HA -0.176 4.144 4.320 -0.001 0.000 0.207 484 K C 2.071 178.701 176.600 0.049 0.000 1.049 484 K CA 1.773 58.087 56.287 0.044 0.000 0.931 484 K CB -0.249 32.273 32.500 0.036 0.000 0.714 484 K HN 0.506 nan 8.250 nan 0.000 0.440 485 Q N -0.301 119.528 119.800 0.048 0.000 2.124 485 Q HA -0.196 4.144 4.340 -0.001 0.000 0.202 485 Q C 1.934 177.964 176.000 0.050 0.000 0.977 485 Q CA 1.479 57.305 55.803 0.038 0.000 0.850 485 Q CB -0.210 28.549 28.738 0.036 0.000 0.901 485 Q HN 0.391 nan 8.270 nan 0.000 0.429 486 Y N 1.440 121.720 120.300 -0.034 0.000 2.200 486 Y HA -0.188 4.362 4.550 -0.001 0.000 0.290 486 Y C 2.128 178.035 175.900 0.012 0.000 1.137 486 Y CA 1.418 59.510 58.100 -0.013 0.000 1.163 486 Y CB 0.118 38.551 38.460 -0.045 0.000 0.988 486 Y HN -0.091 nan 8.280 nan 0.000 0.518 487 R N 0.227 120.814 120.500 0.145 0.000 2.080 487 R HA -0.199 4.141 4.340 -0.001 0.000 0.236 487 R C 2.407 178.681 176.300 -0.043 0.000 1.137 487 R CA 1.744 57.888 56.100 0.073 0.000 0.943 487 R CB -0.557 29.798 30.300 0.091 0.000 0.846 487 R HN 0.439 nan 8.270 nan 0.000 0.431 488 E N 1.357 121.538 120.200 -0.032 0.000 2.012 488 E HA -0.257 4.093 4.350 -0.001 0.000 0.197 488 E C 1.729 178.277 176.600 -0.086 0.000 1.007 488 E CA 1.670 58.042 56.400 -0.046 0.000 0.816 488 E CB 0.099 29.784 29.700 -0.025 0.000 0.762 488 E HN 0.021 nan 8.360 nan 0.000 0.451 489 K N -0.045 120.289 120.400 -0.110 0.000 2.044 489 K HA -0.110 4.210 4.320 -0.001 0.000 0.210 489 K C 2.077 178.564 176.600 -0.188 0.000 1.049 489 K CA 1.857 58.063 56.287 -0.134 0.000 0.927 489 K CB -0.216 32.203 32.500 -0.134 0.000 0.713 489 K HN 0.262 nan 8.250 nan 0.000 0.443 490 M N -1.310 118.100 119.600 -0.317 0.000 2.506 490 M HA 0.162 4.642 4.480 -0.001 0.000 0.260 490 M C 0.967 177.150 176.300 -0.195 0.000 1.104 490 M CA 1.121 56.217 55.300 -0.341 0.000 1.112 490 M CB -0.572 31.607 32.600 -0.701 0.000 1.401 490 M HN 0.444 nan 8.290 nan 0.000 0.473 491 G N 2.105 110.819 108.800 -0.144 0.000 2.160 491 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.251 491 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.251 491 G C 0.100 174.970 174.900 -0.049 0.000 1.008 491 G CA 0.068 45.121 45.100 -0.078 0.000 0.724 491 G HN 0.473 nan 8.290 nan 0.000 0.514 492 I N 1.015 121.561 120.570 -0.039 0.000 2.433 492 I HA 0.319 4.489 4.170 -0.001 0.000 0.292 492 I C -1.784 174.383 176.117 0.085 0.000 1.001 492 I CA -2.604 58.718 61.300 0.036 0.000 1.119 492 I CB 2.471 40.534 38.000 0.106 0.000 1.289 492 I HN -0.136 nan 8.210 nan 0.000 0.438 493 P HA 0.138 nan 4.420 nan 0.000 0.220 493 P C -0.048 177.299 177.300 0.078 0.000 1.778 493 P CA -0.120 63.011 63.100 0.053 0.000 0.912 493 P CB -0.096 31.608 31.700 0.007 0.000 1.861 494 A N 2.146 125.073 122.820 0.178 0.000 2.540 494 A HA 0.095 4.415 4.320 -0.001 0.000 0.239 494 A C 0.513 178.194 177.584 0.162 0.000 1.061 494 A CA 0.330 52.497 52.037 0.216 0.000 0.758 494 A CB 0.091 19.360 19.000 0.448 0.000 0.991 494 A HN 0.283 nan 8.150 nan 0.000 0.502 495 K N 0.442 120.928 120.400 0.144 0.000 2.123 495 K HA 0.634 4.953 4.320 -0.001 0.000 0.248 495 K C -1.120 175.630 176.600 0.250 0.000 0.969 495 K CA -0.701 55.696 56.287 0.183 0.000 0.882 495 K CB 1.696 34.293 32.500 0.160 0.000 1.080 495 K HN 0.502 nan 8.250 nan 0.000 0.441 496 L N 2.485 123.844 121.223 0.226 0.000 2.349 496 L HA 0.490 4.830 4.340 -0.001 0.000 0.278 496 L C -1.411 175.518 176.870 0.098 0.000 0.996 496 L CA -0.312 54.619 54.840 0.152 0.000 0.825 496 L CB 1.115 43.198 42.059 0.040 0.000 1.243 496 L HN 0.553 nan 8.230 nan 0.000 0.412 497 I N 5.819 126.430 120.570 0.068 0.000 2.362 497 I HA 0.380 4.550 4.170 -0.001 0.000 0.289 497 I C -0.712 175.369 176.117 -0.059 0.000 0.994 497 I CA -0.927 60.349 61.300 -0.040 0.000 1.158 497 I CB 1.914 39.911 38.000 -0.005 0.000 1.315 497 I HN 0.284 nan 8.210 nan 0.000 0.451 498 V N 6.010 125.889 119.914 -0.058 0.000 2.333 498 V HA 0.120 4.239 4.120 -0.001 0.000 0.274 498 V C 0.005 176.088 176.094 -0.019 0.000 1.028 498 V CA -0.504 61.782 62.300 -0.023 0.000 0.851 498 V CB 1.336 33.181 31.823 0.036 0.000 1.000 498 V HN 0.834 nan 8.190 nan 0.000 0.456 499 C N 7.165 126.423 119.300 -0.069 0.000 2.192 499 C HA 0.708 5.167 4.460 -0.001 0.000 0.337 499 C C 1.155 176.255 174.990 0.183 0.000 1.103 499 C CA -0.857 58.182 59.018 0.035 0.000 1.581 499 C CB -1.199 26.492 27.740 -0.083 0.000 2.070 499 C HN 0.984 nan 8.230 nan 0.000 0.485 500 A N 7.100 130.049 122.820 0.216 0.000 2.498 500 A HA 0.419 4.739 4.320 -0.001 0.000 0.239 500 A C 0.819 178.600 177.584 0.328 0.000 1.068 500 A CA 0.258 52.440 52.037 0.242 0.000 0.766 500 A CB 0.265 19.407 19.000 0.237 0.000 1.003 500 A HN 0.862 nan 8.150 nan 0.000 0.497 501 M N 1.465 121.123 119.600 0.097 0.000 2.313 501 M HA 0.137 4.617 4.480 -0.001 0.000 0.273 501 M C 0.667 176.418 176.300 -0.916 0.000 1.049 501 M CA 0.667 55.824 55.300 -0.237 0.000 1.004 501 M CB -0.951 31.626 32.600 -0.037 0.000 1.461 501 M HN 0.945 nan 8.290 nan 0.000 0.514 502 T N -2.682 111.580 114.554 -0.487 0.000 2.812 502 T HA 0.442 4.792 4.350 -0.001 0.000 0.294 502 T C 0.370 175.065 174.700 -0.008 0.000 1.159 502 T CA -0.371 61.501 62.100 -0.380 0.000 1.008 502 T CB 1.697 70.491 68.868 -0.124 0.000 1.289 502 T HN 0.100 nan 8.240 nan 0.000 0.514 503 S N 0.611 116.362 115.700 0.085 0.000 2.602 503 S HA 0.221 4.690 4.470 -0.001 0.000 0.246 503 S C 0.463 175.092 174.600 0.049 0.000 1.009 503 S CA -0.706 57.593 58.200 0.166 0.000 1.052 503 S CB -1.419 61.948 63.200 0.278 0.000 0.778 503 S HN 0.905 nan 8.310 nan 0.000 0.455 504 N N 1.399 120.096 118.700 -0.005 0.000 2.294 504 N HA 0.387 5.126 4.740 -0.001 0.000 0.248 504 N C 0.755 176.121 175.510 -0.240 0.000 1.300 504 N CA -0.049 52.917 53.050 -0.140 0.000 0.925 504 N CB -0.228 38.200 38.487 -0.099 0.000 1.188 504 N HN 0.120 nan 8.380 nan 0.000 0.512 505 G N -1.468 106.996 108.800 -0.561 0.000 3.707 505 G HA2 0.281 4.240 3.960 -0.001 0.000 0.286 505 G HA3 0.281 4.240 3.960 -0.001 0.000 0.286 505 G C -0.886 173.779 174.900 -0.393 0.000 1.112 505 G CA -0.335 44.513 45.100 -0.420 0.000 0.861 505 G HN 0.351 nan 8.290 nan 0.000 0.534 506 F N 0.418 120.401 119.950 0.056 0.000 2.432 506 F HA 0.776 5.302 4.527 -0.001 0.000 0.329 506 F C 0.467 176.325 175.800 0.097 0.000 1.076 506 F CA -1.778 56.260 58.000 0.062 0.000 1.018 506 F CB 2.255 41.269 39.000 0.024 0.000 1.201 506 F HN -0.034 nan 8.300 nan 0.000 0.489 507 S N 2.075 117.987 115.700 0.354 0.000 2.543 507 S HA 0.491 4.960 4.470 -0.001 0.000 0.271 507 S C 0.204 175.008 174.600 0.341 0.000 1.148 507 S CA -0.750 57.620 58.200 0.283 0.000 0.914 507 S CB 0.860 64.199 63.200 0.231 0.000 1.096 507 S HN 0.627 nan 8.310 nan 0.000 0.471 508 I N 1.725 122.463 120.570 0.280 0.000 3.793 508 I HA 0.521 4.691 4.170 -0.001 0.000 0.315 508 I C 0.759 177.129 176.117 0.421 0.000 1.275 508 I CA -0.350 61.144 61.300 0.323 0.000 1.214 508 I CB -0.302 37.815 38.000 0.195 0.000 1.018 508 I HN 0.499 nan 8.210 nan 0.000 0.439 509 A N 1.922 124.912 122.820 0.283 0.000 2.366 509 A HA 0.198 4.518 4.320 -0.001 0.000 0.272 509 A C -0.335 177.094 177.584 -0.259 0.000 1.135 509 A CA -0.321 51.758 52.037 0.071 0.000 0.804 509 A CB 0.262 19.249 19.000 -0.022 0.000 1.064 509 A HN 0.325 nan 8.150 nan 0.000 0.499 510 D N 3.229 123.234 120.400 -0.658 0.000 2.339 510 D HA 0.222 4.861 4.640 -0.001 0.000 0.256 510 D C -1.594 174.191 176.300 -0.859 0.000 1.214 510 D CA -1.630 51.434 54.000 -1.559 0.000 0.877 510 D CB 1.289 41.565 40.800 -0.873 0.000 1.111 510 D HN 0.176 nan 8.370 nan 0.000 0.478 511 P HA -0.047 nan 4.420 nan 0.000 0.220 511 P C 0.400 177.521 177.300 -0.298 0.000 1.148 511 P CA 0.681 63.522 63.100 -0.432 0.000 0.803 511 P CB 0.394 31.886 31.700 -0.346 0.000 0.782 512 D N -1.207 118.989 120.400 -0.339 0.000 2.349 512 D HA -0.021 4.619 4.640 -0.001 0.000 0.224 512 D C 0.193 176.415 176.300 -0.130 0.000 1.029 512 D CA 0.762 54.655 54.000 -0.178 0.000 0.879 512 D CB -0.176 40.547 40.800 -0.128 0.000 0.906 512 D HN 0.186 nan 8.370 nan 0.000 0.528 513 D N 0.529 120.834 120.400 -0.159 0.000 2.392 513 D HA 0.133 4.772 4.640 -0.001 0.000 0.228 513 D C 0.955 177.244 176.300 -0.019 0.000 1.074 513 D CA -0.436 53.517 54.000 -0.078 0.000 0.838 513 D CB 0.894 41.644 40.800 -0.085 0.000 1.067 513 D HN -0.112 nan 8.370 nan 0.000 0.511 514 R N 1.907 122.418 120.500 0.018 0.000 2.293 514 R HA -0.013 4.327 4.340 -0.001 0.000 0.219 514 R C 1.656 178.066 176.300 0.184 0.000 1.091 514 R CA 0.777 56.927 56.100 0.083 0.000 1.004 514 R CB 0.197 30.523 30.300 0.043 0.000 0.865 514 R HN 0.336 nan 8.270 nan 0.000 0.469 515 G N -0.043 108.841 108.800 0.139 0.000 3.233 515 G HA2 0.126 4.086 3.960 -0.001 0.000 0.227 515 G HA3 0.126 4.086 3.960 -0.001 0.000 0.227 515 G C 0.222 175.345 174.900 0.372 0.000 1.175 515 G CA -0.222 44.995 45.100 0.196 0.000 0.781 515 G HN 0.057 nan 8.290 nan 0.000 0.542 516 M N 0.321 120.094 119.600 0.288 0.000 2.395 516 M HA 0.596 5.076 4.480 -0.001 0.000 0.307 516 M C -1.534 174.674 176.300 -0.154 0.000 1.091 516 M CA -0.807 54.545 55.300 0.087 0.000 0.919 516 M CB 2.928 35.517 32.600 -0.017 0.000 1.662 516 M HN -0.010 nan 8.290 nan 0.000 0.440 517 L N 1.756 122.742 121.223 -0.394 0.000 2.409 517 L HA 0.634 4.974 4.340 -0.001 0.000 0.262 517 L C -1.687 175.011 176.870 -0.287 0.000 0.992 517 L CA -0.214 54.293 54.840 -0.555 0.000 0.817 517 L CB 2.246 43.533 42.059 -1.286 0.000 1.350 517 L HN 0.523 nan 8.230 nan 0.000 0.411 518 D N 4.509 124.798 120.400 -0.185 0.000 2.233 518 D HA 0.581 5.220 4.640 -0.001 0.000 0.240 518 D C -0.373 175.898 176.300 -0.048 0.000 1.074 518 D CA 0.191 54.148 54.000 -0.071 0.000 0.838 518 D CB 1.713 42.505 40.800 -0.015 0.000 1.124 518 D HN 0.635 nan 8.370 nan 0.000 0.475 519 I N -1.806 118.762 120.570 -0.002 0.000 3.393 519 I HA 0.658 4.828 4.170 -0.001 0.000 0.311 519 I C -1.083 175.106 176.117 0.121 0.000 1.133 519 I CA -0.954 60.372 61.300 0.045 0.000 0.963 519 I CB 2.350 40.368 38.000 0.030 0.000 1.298 519 I HN 0.301 nan 8.210 nan 0.000 0.481 520 C N 1.865 121.260 119.300 0.160 0.000 2.498 520 C HA 0.829 5.288 4.460 -0.001 0.000 0.316 520 C C 0.721 175.868 174.990 0.262 0.000 1.209 520 C CA -0.046 59.113 59.018 0.235 0.000 1.518 520 C CB 0.415 28.262 27.740 0.177 0.000 2.147 520 C HN 1.059 nan 8.230 nan 0.000 0.483 521 G N 3.141 112.213 108.800 0.452 0.000 2.491 521 G HA2 0.398 4.357 3.960 -0.001 0.000 0.242 521 G HA3 0.398 4.357 3.960 -0.001 0.000 0.242 521 G C 0.012 175.128 174.900 0.360 0.000 1.266 521 G CA 0.078 45.501 45.100 0.538 0.000 0.844 521 G HN 1.126 nan 8.290 nan 0.000 0.571 522 F N -0.903 119.215 119.950 0.280 0.000 3.093 522 F HA -0.172 4.355 4.527 -0.001 0.000 0.287 522 F C 0.767 176.657 175.800 0.149 0.000 0.882 522 F CA 1.182 59.331 58.000 0.248 0.000 1.063 522 F CB -0.883 38.250 39.000 0.222 0.000 1.097 522 F HN 0.559 nan 8.300 nan 0.000 0.604 523 D N 0.324 120.821 120.400 0.160 0.000 2.317 523 D HA 0.276 4.916 4.640 -0.001 0.000 0.234 523 D C 1.080 177.413 176.300 0.056 0.000 1.112 523 D CA 0.398 54.476 54.000 0.130 0.000 0.840 523 D CB 1.413 42.292 40.800 0.131 0.000 1.078 523 D HN 0.102 nan 8.370 nan 0.000 0.486 524 S N 2.041 117.701 115.700 -0.066 0.000 2.469 524 S HA -0.043 4.427 4.470 -0.001 0.000 0.238 524 S C 1.524 176.097 174.600 -0.044 0.000 0.998 524 S CA 0.706 58.760 58.200 -0.243 0.000 0.957 524 S CB -0.115 62.795 63.200 -0.483 0.000 0.764 524 S HN 0.482 nan 8.310 nan 0.000 0.514 525 G N -0.382 108.370 108.800 -0.080 0.000 3.605 525 G HA2 0.596 4.556 3.960 -0.001 0.000 0.277 525 G HA3 0.596 4.556 3.960 -0.001 0.000 0.277 525 G C 1.029 175.915 174.900 -0.024 0.000 1.093 525 G CA 0.173 45.232 45.100 -0.069 0.000 0.821 525 G HN 0.574 nan 8.290 nan 0.000 0.532 526 A N 0.573 123.406 122.820 0.021 0.000 1.933 526 A HA 0.043 4.362 4.320 -0.001 0.000 0.218 526 A C 2.238 179.827 177.584 0.008 0.000 1.175 526 A CA 0.789 52.843 52.037 0.028 0.000 0.628 526 A CB -0.267 18.764 19.000 0.051 0.000 0.814 526 A HN 0.395 nan 8.150 nan 0.000 0.444 527 L N -0.714 120.491 121.223 -0.030 0.000 2.127 527 L HA -0.219 4.121 4.340 -0.001 0.000 0.211 527 L C 2.294 179.164 176.870 0.001 0.000 1.089 527 L CA 1.768 56.583 54.840 -0.042 0.000 0.757 527 L CB -0.522 41.481 42.059 -0.093 0.000 0.899 527 L HN 0.437 nan 8.230 nan 0.000 0.434 528 D N -0.483 119.919 120.400 0.003 0.000 2.123 528 D HA -0.133 4.507 4.640 -0.001 0.000 0.200 528 D C 2.135 178.460 176.300 0.043 0.000 0.976 528 D CA 0.797 54.806 54.000 0.015 0.000 0.831 528 D CB 0.253 41.051 40.800 -0.003 0.000 0.974 528 D HN -0.001 nan 8.370 nan 0.000 0.469 529 V N 0.646 120.586 119.914 0.043 0.000 2.295 529 V HA -0.222 3.898 4.120 -0.001 0.000 0.246 529 V C 2.535 178.696 176.094 0.113 0.000 1.049 529 V CA 1.334 63.673 62.300 0.066 0.000 1.024 529 V CB -0.462 31.389 31.823 0.047 0.000 0.648 529 V HN 0.295 nan 8.190 nan 0.000 0.447 530 I N -0.803 119.833 120.570 0.110 0.000 2.163 530 I HA -0.238 3.931 4.170 -0.001 0.000 0.243 530 I C 2.877 179.126 176.117 0.220 0.000 1.085 530 I CA 1.481 62.890 61.300 0.181 0.000 1.347 530 I CB -0.462 37.635 38.000 0.161 0.000 1.044 530 I HN 0.200 nan 8.210 nan 0.000 0.408 531 R N 0.811 121.399 120.500 0.147 0.000 2.080 531 R HA -0.161 4.178 4.340 -0.001 0.000 0.236 531 R C 2.056 178.428 176.300 0.120 0.000 1.137 531 R CA 1.599 57.776 56.100 0.127 0.000 0.943 531 R CB -0.750 29.594 30.300 0.072 0.000 0.846 531 R HN 0.433 nan 8.270 nan 0.000 0.431 532 N N 0.241 119.011 118.700 0.116 0.000 2.166 532 N HA -0.173 4.567 4.740 -0.001 0.000 0.186 532 N C 1.553 177.149 175.510 0.143 0.000 1.019 532 N CA 1.032 54.146 53.050 0.107 0.000 0.856 532 N CB -0.461 38.085 38.487 0.099 0.000 0.993 532 N HN 0.203 nan 8.380 nan 0.000 0.426 533 F N 1.490 121.463 119.950 0.037 0.000 2.206 533 F HA -0.074 4.453 4.527 -0.001 0.000 0.298 533 F C 2.126 177.942 175.800 0.026 0.000 1.090 533 F CA 0.953 58.971 58.000 0.030 0.000 1.323 533 F CB -0.170 38.851 39.000 0.034 0.000 1.028 533 F HN -0.077 nan 8.300 nan 0.000 0.492 534 T N 1.143 115.733 114.554 0.059 0.000 2.788 534 T HA -0.092 4.257 4.350 -0.001 0.000 0.268 534 T C 1.564 176.203 174.700 -0.101 0.000 1.044 534 T CA 1.356 63.428 62.100 -0.047 0.000 1.139 534 T CB -0.259 68.676 68.868 0.112 0.000 0.867 534 T HN 0.206 nan 8.240 nan 0.000 0.454 535 L N 0.620 121.816 121.223 -0.045 0.000 2.818 535 L HA 0.272 4.612 4.340 -0.001 0.000 0.243 535 L C -0.135 176.699 176.870 -0.061 0.000 1.185 535 L CA -0.103 54.711 54.840 -0.044 0.000 0.988 535 L CB -0.280 41.779 42.059 -0.000 0.000 1.292 535 L HN 0.137 nan 8.230 nan 0.000 0.519 536 D N 0.435 120.770 120.400 -0.108 0.000 2.737 536 D HA -0.202 4.437 4.640 -0.001 0.000 0.233 536 D C 0.320 176.603 176.300 -0.028 0.000 1.155 536 D CA 0.704 54.650 54.000 -0.090 0.000 0.667 536 D CB -0.921 39.818 40.800 -0.102 0.000 1.060 536 D HN 0.281 nan 8.370 nan 0.000 0.427 537 L N 0.000 121.222 121.223 -0.002 0.000 2.949 537 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 537 L CA 0.000 54.847 54.840 0.012 0.000 0.813 537 L CB 0.000 42.073 42.059 0.023 0.000 0.961 537 L HN 0.000 nan 8.230 nan 0.000 0.502