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 3h3g_1_A DATA FIRST_RESID -344 DATA SEQUENCE AKIEEGKLVI WINGDKGYNG LAEVGKKFEK DTGIKVTVEH PDKLEEKFPQ DATA SEQUENCE VAATGDGPDI IFWAHDRFGG YAQSGLLAEI TPDKAFQDKL YPFTWDAVRY DATA SEQUENCE NGKLIAYPIA VEALSLIYNK DLLPNPPKTW EEIPALDKEL KAKGKSALMF DATA SEQUENCE NLQEPYFTWP LIAADGGYAF KYENGKYDIK DVGVDNAGAK AGLTFLVDLI DATA SEQUENCE KNKHMNADTD YSIAEAAFNK GETAMTINGP WAWSNIDTSK VNYGVTVLPT DATA SEQUENCE FKGQPSKPFV GVLSAGINAA SPNKELAKEF LENYLLTDEG LEAVNKDKPL DATA SEQUENCE GAVALKSYEE ELAKDPRIAA TMENAQKGEI MPNIPQMSAF WYAVRTAVIN DATA SEQUENCE AASGRQTVDE ALKDAQTNAA AXXXXVMTKE EQIFLLHRAQ AQcEKRLKEV DATA SEQUENCE LXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXRYRG DATA SEQUENCE RPcLPEWDHI LcWPLGAPGE VVAVPcPDYI YDFNHKGHAY RRcDRNGSWE DATA SEQUENCE LVPGHNRTWA NYSEcVKFLT 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 -344 A HA 0.000 nan 4.320 nan 0.000 0.244 -344 A C 0.000 177.623 177.584 0.065 0.000 1.274 -344 A CA 0.000 52.065 52.037 0.046 0.000 0.836 -344 A CB 0.000 19.023 19.000 0.037 0.000 0.831 -343 K N 2.644 123.063 120.400 0.032 0.000 2.281 -343 K HA 0.722 5.041 4.320 -0.001 0.000 0.242 -343 K C -0.722 175.872 176.600 -0.010 0.000 0.971 -343 K CA -0.758 55.540 56.287 0.018 0.000 0.834 -343 K CB 1.261 33.768 32.500 0.013 0.000 1.181 -343 K HN 0.715 nan 8.250 nan 0.000 0.435 -342 I N 2.302 122.853 120.570 -0.032 0.000 2.683 -342 I HA -0.038 4.132 4.170 -0.001 0.000 0.286 -342 I C 0.308 176.407 176.117 -0.030 0.000 1.175 -342 I CA 0.851 62.124 61.300 -0.044 0.000 1.429 -342 I CB 0.416 38.379 38.000 -0.063 0.000 1.371 -342 I HN 0.651 nan 8.210 nan 0.000 0.569 -341 E N 5.979 126.162 120.200 -0.027 0.000 2.343 -341 E HA 0.158 4.508 4.350 -0.001 0.000 0.278 -341 E C -0.947 175.642 176.600 -0.017 0.000 0.910 -341 E CA -0.765 55.624 56.400 -0.019 0.000 0.757 -341 E CB 1.597 31.288 29.700 -0.014 0.000 1.218 -341 E HN 0.570 nan 8.360 nan 0.000 0.435 -340 E N 1.921 122.113 120.200 -0.014 0.000 2.480 -340 E HA 0.096 4.446 4.350 -0.001 0.000 0.258 -340 E C 0.423 177.020 176.600 -0.005 0.000 0.984 -340 E CA 1.433 57.828 56.400 -0.009 0.000 0.930 -340 E CB 0.200 29.895 29.700 -0.007 0.000 0.936 -340 E HN 0.807 nan 8.360 nan 0.000 0.466 -339 G N 3.865 112.666 108.800 0.000 0.000 2.159 -339 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.227 -339 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.227 -339 G C -0.125 174.779 174.900 0.008 0.000 0.986 -339 G CA 0.291 45.395 45.100 0.006 0.000 0.651 -339 G HN 0.514 nan 8.290 nan 0.000 0.523 -338 K N -0.779 119.621 120.400 0.000 0.000 2.509 -338 K HA 0.763 5.083 4.320 -0.001 0.000 0.266 -338 K C -0.786 175.796 176.600 -0.031 0.000 0.987 -338 K CA -0.911 55.372 56.287 -0.007 0.000 0.868 -338 K CB 2.178 34.670 32.500 -0.013 0.000 1.421 -338 K HN 0.078 nan 8.250 nan 0.000 0.444 -337 L N 1.494 122.678 121.223 -0.065 0.000 2.346 -337 L HA 0.564 4.904 4.340 -0.001 0.000 0.276 -337 L C -0.874 175.928 176.870 -0.114 0.000 1.006 -337 L CA -1.208 53.558 54.840 -0.124 0.000 0.817 -337 L CB 2.074 43.983 42.059 -0.249 0.000 1.272 -337 L HN 0.235 nan 8.230 nan 0.000 0.421 -336 V N 4.198 124.052 119.914 -0.099 0.000 2.495 -336 V HA 0.516 4.635 4.120 -0.001 0.000 0.298 -336 V C -0.166 175.889 176.094 -0.065 0.000 1.031 -336 V CA -0.364 61.903 62.300 -0.056 0.000 0.871 -336 V CB 2.121 33.922 31.823 -0.036 0.000 0.988 -336 V HN 0.500 nan 8.190 nan 0.000 0.432 -335 I N 3.458 124.048 120.570 0.033 0.000 2.509 -335 I HA 0.470 4.639 4.170 -0.001 0.000 0.293 -335 I C -1.220 175.102 176.117 0.343 0.000 1.020 -335 I CA -0.446 60.931 61.300 0.129 0.000 1.088 -335 I CB 2.254 40.324 38.000 0.117 0.000 1.267 -335 I HN 0.503 nan 8.210 nan 0.000 0.430 -334 W N 7.026 128.388 121.300 0.104 0.000 2.529 -334 W HA 0.702 5.361 4.660 -0.002 0.000 0.321 -334 W C -0.413 176.211 176.519 0.175 0.000 1.047 -334 W CA -0.995 56.400 57.345 0.084 0.000 1.216 -334 W CB 1.369 30.852 29.460 0.039 0.000 1.357 -334 W HN 0.213 nan 8.180 nan 0.000 0.489 -333 I N 2.827 123.573 120.570 0.293 0.000 2.894 -333 I HA 0.330 4.500 4.170 -0.001 0.000 0.302 -333 I C -0.333 175.870 176.117 0.143 0.000 1.188 -333 I CA -0.894 60.529 61.300 0.206 0.000 1.014 -333 I CB 1.790 39.761 38.000 -0.048 0.000 1.242 -333 I HN 0.217 nan 8.210 nan 0.000 0.430 -332 N N 3.143 121.912 118.700 0.115 0.000 2.454 -332 N HA 0.171 4.911 4.740 -0.001 0.000 0.254 -332 N C 1.026 176.514 175.510 -0.036 0.000 1.228 -332 N CA 1.135 54.204 53.050 0.032 0.000 0.900 -332 N CB 1.518 39.918 38.487 -0.145 0.000 1.089 -332 N HN 0.757 nan 8.380 nan 0.000 0.449 -331 G N 1.549 110.324 108.800 -0.041 0.000 2.498 -331 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.219 -331 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.219 -331 G C 0.833 175.709 174.900 -0.040 0.000 1.119 -331 G CA 0.902 45.940 45.100 -0.103 0.000 0.766 -331 G HN 0.816 nan 8.290 nan 0.000 0.552 -330 D N -0.099 120.203 120.400 -0.164 0.000 2.347 -330 D HA 0.011 4.651 4.640 -0.001 0.000 0.215 -330 D C 1.056 177.273 176.300 -0.138 0.000 0.976 -330 D CA 0.453 54.331 54.000 -0.202 0.000 0.884 -330 D CB 0.125 40.630 40.800 -0.493 0.000 0.915 -330 D HN 0.077 nan 8.370 nan 0.000 0.526 -329 K N 0.140 120.464 120.400 -0.127 0.000 2.240 -329 K HA 0.492 4.812 4.320 -0.001 0.000 0.237 -329 K C 0.939 177.505 176.600 -0.056 0.000 1.027 -329 K CA -0.589 55.649 56.287 -0.081 0.000 0.937 -329 K CB 0.494 32.921 32.500 -0.121 0.000 1.171 -329 K HN 0.032 nan 8.250 nan 0.000 0.479 -328 G N 1.701 110.457 108.800 -0.072 0.000 3.197 -328 G HA2 0.067 4.026 3.960 -0.001 0.000 0.257 -328 G HA3 0.067 4.026 3.960 -0.001 0.000 0.257 -328 G C 0.823 175.639 174.900 -0.139 0.000 0.835 -328 G CA -0.143 44.876 45.100 -0.135 0.000 2.001 -328 G HN 0.598 nan 8.290 nan 0.000 0.625 -327 Y N -0.564 119.666 120.300 -0.116 0.000 2.274 -327 Y HA -0.151 4.398 4.550 -0.001 0.000 0.290 -327 Y C 2.108 177.977 175.900 -0.051 0.000 1.145 -327 Y CA 1.095 59.134 58.100 -0.103 0.000 1.203 -327 Y CB -0.474 37.922 38.460 -0.106 0.000 0.984 -327 Y HN 0.440 nan 8.280 nan 0.000 0.533 -326 N N 0.894 119.421 118.700 -0.289 0.000 2.120 -326 N HA -0.146 4.594 4.740 -0.001 0.000 0.188 -326 N C 2.167 177.652 175.510 -0.042 0.000 1.024 -326 N CA 1.148 54.127 53.050 -0.120 0.000 0.852 -326 N CB -0.482 37.876 38.487 -0.215 0.000 1.003 -326 N HN 0.556 nan 8.380 nan 0.000 0.424 -325 G N 1.543 110.300 108.800 -0.071 0.000 2.418 -325 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.217 -325 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.217 -325 G C 1.485 176.396 174.900 0.020 0.000 1.158 -325 G CA 0.437 45.526 45.100 -0.018 0.000 0.771 -325 G HN 0.278 nan 8.290 nan 0.000 0.545 -324 L N 1.439 122.668 121.223 0.010 0.000 2.046 -324 L HA 0.127 4.466 4.340 -0.001 0.000 0.208 -324 L C 3.088 180.022 176.870 0.107 0.000 1.077 -324 L CA 2.029 56.896 54.840 0.045 0.000 0.747 -324 L CB -0.745 41.282 42.059 -0.053 0.000 0.896 -324 L HN 0.246 nan 8.230 nan 0.000 0.432 -323 A N -0.765 122.108 122.820 0.089 0.000 1.908 -323 A HA -0.269 4.050 4.320 -0.001 0.000 0.218 -323 A C 2.157 179.803 177.584 0.102 0.000 1.181 -323 A CA 2.011 54.105 52.037 0.095 0.000 0.627 -323 A CB -0.655 18.408 19.000 0.105 0.000 0.818 -323 A HN 0.627 nan 8.150 nan 0.000 0.445 -322 E N -0.443 119.811 120.200 0.091 0.000 2.077 -322 E HA -0.127 4.223 4.350 -0.001 0.000 0.193 -322 E C 1.972 178.659 176.600 0.144 0.000 0.989 -322 E CA 1.301 57.759 56.400 0.096 0.000 0.800 -322 E CB -0.308 29.431 29.700 0.066 0.000 0.746 -322 E HN 0.429 nan 8.360 nan 0.000 0.452 -321 V N 0.919 120.938 119.914 0.174 0.000 2.343 -321 V HA -0.215 3.904 4.120 -0.001 0.000 0.247 -321 V C 2.376 178.713 176.094 0.405 0.000 1.051 -321 V CA 1.966 64.424 62.300 0.264 0.000 1.036 -321 V CB -1.048 30.908 31.823 0.222 0.000 0.654 -321 V HN 0.421 nan 8.190 nan 0.000 0.451 -320 G N -0.339 108.667 108.800 0.343 0.000 2.432 -320 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.219 -320 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.219 -320 G C 1.673 176.680 174.900 0.180 0.000 1.135 -320 G CA 0.566 45.786 45.100 0.201 0.000 0.767 -320 G HN 0.375 nan 8.290 nan 0.000 0.550 -319 K N 0.459 120.952 120.400 0.155 0.000 2.116 -319 K HA 0.036 4.355 4.320 -0.001 0.000 0.203 -319 K C 2.313 178.995 176.600 0.136 0.000 1.052 -319 K CA 1.032 57.389 56.287 0.117 0.000 0.952 -319 K CB -0.140 32.413 32.500 0.088 0.000 0.729 -319 K HN 0.357 nan 8.250 nan 0.000 0.446 -318 K N 0.669 121.183 120.400 0.191 0.000 2.057 -318 K HA -0.143 4.176 4.320 -0.001 0.000 0.207 -318 K C 1.985 178.727 176.600 0.236 0.000 1.049 -318 K CA 1.131 57.556 56.287 0.231 0.000 0.931 -318 K CB -0.439 32.240 32.500 0.298 0.000 0.714 -318 K HN -0.039 nan 8.250 nan 0.000 0.440 -317 F N 2.006 121.948 119.950 -0.013 0.000 2.095 -317 F HA -0.181 4.345 4.527 -0.002 0.000 0.298 -317 F C 2.246 177.957 175.800 -0.149 0.000 1.104 -317 F CA 2.245 60.038 58.000 -0.345 0.000 1.232 -317 F CB -0.412 38.417 39.000 -0.286 0.000 0.987 -317 F HN 0.303 nan 8.300 nan 0.000 0.475 -316 E N 0.108 120.315 120.200 0.011 0.000 2.110 -316 E HA -0.278 4.071 4.350 -0.001 0.000 0.193 -316 E C 2.324 178.879 176.600 -0.074 0.000 0.988 -316 E CA 1.312 57.678 56.400 -0.056 0.000 0.804 -316 E CB -0.250 29.460 29.700 0.018 0.000 0.745 -316 E HN 0.399 nan 8.360 nan 0.000 0.458 -315 K N -0.013 120.376 120.400 -0.017 0.000 2.148 -315 K HA -0.151 4.168 4.320 -0.001 0.000 0.204 -315 K C 1.138 177.721 176.600 -0.028 0.000 1.050 -315 K CA 1.630 57.915 56.287 -0.004 0.000 0.942 -315 K CB 0.152 32.675 32.500 0.038 0.000 0.724 -315 K HN 0.112 nan 8.250 nan 0.000 0.446 -314 D N -1.043 119.325 120.400 -0.053 0.000 2.305 -314 D HA -0.058 4.581 4.640 -0.001 0.000 0.206 -314 D C 1.468 177.675 176.300 -0.155 0.000 0.974 -314 D CA 1.299 55.269 54.000 -0.051 0.000 0.871 -314 D CB 0.610 41.458 40.800 0.080 0.000 0.947 -314 D HN 0.406 nan 8.370 nan 0.000 0.516 -313 T N -5.046 109.331 114.554 -0.294 0.000 3.009 -313 T HA 0.354 4.703 4.350 -0.001 0.000 0.267 -313 T C 1.650 176.215 174.700 -0.226 0.000 0.942 -313 T CA 0.602 62.501 62.100 -0.334 0.000 0.883 -313 T CB 0.830 69.290 68.868 -0.680 0.000 1.192 -313 T HN 0.094 nan 8.240 nan 0.000 0.524 -312 G N 2.173 110.868 108.800 -0.175 0.000 2.189 -312 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.267 -312 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.267 -312 G C 0.052 174.897 174.900 -0.092 0.000 0.975 -312 G CA 0.267 45.304 45.100 -0.105 0.000 0.644 -312 G HN 0.606 nan 8.290 nan 0.000 0.537 -311 I N 1.285 121.772 120.570 -0.138 0.000 2.322 -311 I HA 0.258 4.427 4.170 -0.001 0.000 0.292 -311 I C 0.855 176.990 176.117 0.029 0.000 1.060 -311 I CA -0.851 60.426 61.300 -0.037 0.000 1.309 -311 I CB 0.986 39.002 38.000 0.025 0.000 1.415 -311 I HN 0.200 nan 8.210 nan 0.000 0.492 -310 K N 5.814 126.225 120.400 0.017 0.000 2.401 -310 K HA 0.367 4.686 4.320 -0.001 0.000 0.278 -310 K C -1.057 175.545 176.600 0.004 0.000 1.018 -310 K CA -0.193 56.103 56.287 0.016 0.000 0.981 -310 K CB 0.832 33.333 32.500 0.003 0.000 0.933 -310 K HN 0.413 nan 8.250 nan 0.000 0.477 -309 V N 3.884 123.786 119.914 -0.020 0.000 2.443 -309 V HA 0.224 4.343 4.120 -0.001 0.000 0.293 -309 V C -0.631 175.420 176.094 -0.073 0.000 1.021 -309 V CA -0.819 61.410 62.300 -0.119 0.000 0.848 -309 V CB 1.822 33.484 31.823 -0.268 0.000 0.998 -309 V HN 0.866 nan 8.190 nan 0.000 0.424 -308 T N 4.483 119.000 114.554 -0.061 0.000 2.794 -308 T HA 0.594 4.944 4.350 -0.001 0.000 0.280 -308 T C -0.332 174.375 174.700 0.010 0.000 0.987 -308 T CA -0.362 61.733 62.100 -0.008 0.000 0.993 -308 T CB 1.651 70.526 68.868 0.011 0.000 0.939 -308 T HN 0.351 nan 8.240 nan 0.000 0.449 -307 V N 4.144 124.084 119.914 0.043 0.000 2.384 -307 V HA 0.456 4.576 4.120 -0.001 0.000 0.287 -307 V C 0.033 176.177 176.094 0.082 0.000 1.020 -307 V CA -0.757 61.590 62.300 0.078 0.000 0.850 -307 V CB 1.407 33.280 31.823 0.084 0.000 0.987 -307 V HN 0.849 nan 8.190 nan 0.000 0.436 -306 E N 2.451 122.709 120.200 0.097 0.000 2.299 -306 E HA 0.586 4.935 4.350 -0.001 0.000 0.265 -306 E C -1.090 175.431 176.600 -0.132 0.000 0.911 -306 E CA -0.837 55.527 56.400 -0.060 0.000 0.789 -306 E CB 2.117 31.773 29.700 -0.073 0.000 1.246 -306 E HN 0.995 nan 8.360 nan 0.000 0.427 -305 H N -1.031 117.810 119.070 -0.381 0.000 2.348 -305 H HA 0.385 4.940 4.556 -0.001 0.000 0.232 -305 H C -2.714 172.372 175.328 -0.404 0.000 1.419 -305 H CA -2.395 53.417 56.048 -0.393 0.000 1.416 -305 H CB -0.369 29.079 29.762 -0.523 0.000 1.510 -305 H HN 0.127 nan 8.280 nan 0.000 0.507 -304 P HA 0.028 nan 4.420 nan 0.000 0.271 -304 P C 0.164 177.238 177.300 -0.377 0.000 1.218 -304 P CA -0.151 62.584 63.100 -0.609 0.000 0.780 -304 P CB 0.908 32.004 31.700 -1.006 0.000 0.901 -303 D N 1.734 121.967 120.400 -0.279 0.000 2.414 -303 D HA 0.020 4.659 4.640 -0.001 0.000 0.242 -303 D C 0.108 176.304 176.300 -0.173 0.000 1.129 -303 D CA 0.178 54.077 54.000 -0.168 0.000 0.885 -303 D CB 0.188 40.913 40.800 -0.124 0.000 1.198 -303 D HN 0.264 nan 8.370 nan 0.000 0.437 -302 K N 1.363 121.692 120.400 -0.118 0.000 3.077 -302 K HA -0.216 4.103 4.320 -0.001 0.000 0.264 -302 K C 1.146 177.633 176.600 -0.188 0.000 1.008 -302 K CA 0.590 56.796 56.287 -0.135 0.000 0.740 -302 K CB -1.482 30.957 32.500 -0.103 0.000 1.273 -302 K HN 0.445 nan 8.250 nan 0.000 0.477 -301 L N -0.497 120.604 121.223 -0.203 0.000 2.141 -301 L HA -0.122 4.217 4.340 -0.001 0.000 0.209 -301 L C 2.265 179.069 176.870 -0.110 0.000 1.094 -301 L CA 1.891 56.629 54.840 -0.169 0.000 0.763 -301 L CB -0.413 41.588 42.059 -0.097 0.000 0.908 -301 L HN 0.339 nan 8.230 nan 0.000 0.437 -300 E N 0.957 120.879 120.200 -0.463 0.000 2.268 -300 E HA -0.239 4.111 4.350 -0.001 0.000 0.195 -300 E C 1.548 178.016 176.600 -0.220 0.000 0.995 -300 E CA 1.620 57.656 56.400 -0.606 0.000 0.836 -300 E CB -0.314 28.373 29.700 -1.688 0.000 0.763 -300 E HN 0.823 nan 8.360 nan 0.000 0.491 -299 E N 0.505 120.596 120.200 -0.181 0.000 2.216 -299 E HA 0.028 4.378 4.350 -0.001 0.000 0.192 -299 E C 1.997 178.582 176.600 -0.026 0.000 0.973 -299 E CA 0.164 56.517 56.400 -0.078 0.000 0.851 -299 E CB 0.168 29.817 29.700 -0.086 0.000 0.804 -299 E HN 0.143 nan 8.360 nan 0.000 0.477 -298 K N 0.589 120.988 120.400 -0.002 0.000 2.097 -298 K HA -0.135 4.184 4.320 -0.001 0.000 0.205 -298 K C 1.969 178.662 176.600 0.154 0.000 1.050 -298 K CA 0.716 57.042 56.287 0.066 0.000 0.938 -298 K CB -0.092 32.429 32.500 0.035 0.000 0.718 -298 K HN 0.001 nan 8.250 nan 0.000 0.442 -297 F N 2.795 122.772 119.950 0.044 0.000 2.043 -297 F HA -0.160 4.367 4.527 -0.000 0.000 0.297 -297 F C -1.278 174.374 175.800 -0.247 0.000 1.121 -297 F CA 1.297 59.219 58.000 -0.130 0.000 1.199 -297 F CB -1.135 37.627 39.000 -0.398 0.000 0.968 -297 F HN 0.078 nan 8.300 nan 0.000 0.478 -296 P HA -0.168 nan 4.420 nan 0.000 0.220 -296 P C 1.276 178.390 177.300 -0.310 0.000 1.148 -296 P CA 1.722 64.532 63.100 -0.484 0.000 0.803 -296 P CB -0.277 31.316 31.700 -0.177 0.000 0.782 -295 Q N -0.361 119.328 119.800 -0.185 0.000 2.167 -295 Q HA -0.054 4.286 4.340 -0.001 0.000 0.202 -295 Q C 1.917 177.840 176.000 -0.127 0.000 0.970 -295 Q CA 1.615 57.344 55.803 -0.123 0.000 0.855 -295 Q CB -0.173 28.524 28.738 -0.068 0.000 0.911 -295 Q HN 0.268 nan 8.270 nan 0.000 0.438 -294 V N -5.056 114.771 119.914 -0.144 0.000 3.604 -294 V HA 0.405 4.525 4.120 -0.001 0.000 0.277 -294 V C 1.731 177.716 176.094 -0.181 0.000 1.399 -294 V CA 0.570 62.809 62.300 -0.102 0.000 1.034 -294 V CB 0.128 31.965 31.823 0.023 0.000 0.824 -294 V HN 0.136 nan 8.190 nan 0.000 0.439 -293 A N 1.616 124.222 122.820 -0.357 0.000 1.883 -293 A HA -0.015 4.304 4.320 -0.001 0.000 0.217 -293 A C 2.455 179.888 177.584 -0.252 0.000 1.186 -293 A CA 2.665 54.461 52.037 -0.401 0.000 0.624 -293 A CB -1.064 17.481 19.000 -0.759 0.000 0.822 -293 A HN 1.159 nan 8.150 nan 0.000 0.444 -292 A N -0.570 122.110 122.820 -0.233 0.000 2.019 -292 A HA -0.077 4.242 4.320 -0.001 0.000 0.219 -292 A C 2.307 179.824 177.584 -0.112 0.000 1.164 -292 A CA 2.364 54.307 52.037 -0.156 0.000 0.644 -292 A CB -1.153 17.763 19.000 -0.141 0.000 0.805 -292 A HN 0.851 nan 8.150 nan 0.000 0.449 -291 T N -4.992 109.499 114.554 -0.106 0.000 3.081 -291 T HA 0.396 4.746 4.350 -0.001 0.000 0.255 -291 T C 1.315 175.977 174.700 -0.063 0.000 1.113 -291 T CA 1.149 63.206 62.100 -0.073 0.000 1.082 -291 T CB 0.166 68.998 68.868 -0.059 0.000 0.939 -291 T HN 1.679 nan 8.240 nan 0.000 0.506 -290 G N 1.112 109.865 108.800 -0.079 0.000 2.148 -290 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.203 -290 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.203 -290 G C 0.229 175.094 174.900 -0.058 0.000 0.993 -290 G CA 0.157 45.216 45.100 -0.068 0.000 0.661 -290 G HN 0.544 nan 8.290 nan 0.000 0.518 -289 D N 0.599 120.967 120.400 -0.054 0.000 2.402 -289 D HA 0.269 4.908 4.640 -0.001 0.000 0.216 -289 D C 1.540 177.823 176.300 -0.028 0.000 1.128 -289 D CA 0.668 54.665 54.000 -0.005 0.000 0.833 -289 D CB 0.687 41.511 40.800 0.040 0.000 0.971 -289 D HN 0.524 nan 8.370 nan 0.000 0.503 -288 G N 1.995 110.690 108.800 -0.174 0.000 2.588 -288 G HA2 0.379 4.338 3.960 -0.001 0.000 0.281 -288 G HA3 0.379 4.338 3.960 -0.001 0.000 0.281 -288 G C -2.451 172.103 174.900 -0.576 0.000 1.236 -288 G CA -0.726 44.112 45.100 -0.436 0.000 0.969 -288 G HN -0.072 nan 8.290 nan 0.000 0.504 -287 P HA 0.288 nan 4.420 nan 0.000 0.283 -287 P C -0.199 176.889 177.300 -0.354 0.000 1.278 -287 P CA -0.539 62.130 63.100 -0.719 0.000 0.834 -287 P CB 1.994 33.024 31.700 -1.117 0.000 1.150 -286 D N -0.257 120.007 120.400 -0.225 0.000 2.149 -286 D HA 0.027 4.666 4.640 -0.001 0.000 0.201 -286 D C 0.593 176.817 176.300 -0.126 0.000 0.972 -286 D CA 1.508 55.427 54.000 -0.135 0.000 0.835 -286 D CB 0.285 41.023 40.800 -0.102 0.000 0.966 -286 D HN 0.336 nan 8.370 nan 0.000 0.476 -285 I N 0.928 121.415 120.570 -0.138 0.000 2.533 -285 I HA 0.331 4.501 4.170 -0.001 0.000 0.290 -285 I C -0.693 175.382 176.117 -0.070 0.000 1.056 -285 I CA -0.741 60.510 61.300 -0.081 0.000 1.057 -285 I CB 3.188 41.207 38.000 0.032 0.000 1.240 -285 I HN -0.196 nan 8.210 nan 0.000 0.423 -284 I N 5.376 125.861 120.570 -0.142 0.000 2.433 -284 I HA 0.495 4.664 4.170 -0.001 0.000 0.292 -284 I C -1.494 174.731 176.117 0.179 0.000 1.001 -284 I CA -0.463 60.813 61.300 -0.040 0.000 1.119 -284 I CB 1.376 39.051 38.000 -0.542 0.000 1.289 -284 I HN 0.340 nan 8.210 nan 0.000 0.438 -283 F N 7.866 127.971 119.950 0.258 0.000 2.427 -283 F HA 0.515 5.040 4.527 -0.002 0.000 0.346 -283 F C -0.449 175.627 175.800 0.459 0.000 1.120 -283 F CA -0.146 58.046 58.000 0.319 0.000 1.033 -283 F CB 1.188 40.307 39.000 0.198 0.000 1.126 -283 F HN 0.439 nan 8.300 nan 0.000 0.462 -282 W N 2.189 123.745 121.300 0.428 0.000 3.066 -282 W HA 0.636 5.296 4.660 -0.001 0.000 0.330 -282 W C -1.179 175.540 176.519 0.333 0.000 1.253 -282 W CA -1.353 56.167 57.345 0.293 0.000 1.187 -282 W CB 1.680 31.240 29.460 0.166 0.000 1.434 -282 W HN 0.618 nan 8.180 nan 0.000 0.572 -281 A N 2.625 125.317 122.820 -0.213 0.000 2.555 -281 A HA -0.052 4.267 4.320 -0.001 0.000 0.233 -281 A C 1.434 179.244 177.584 0.377 0.000 1.060 -281 A CA 1.022 53.074 52.037 0.025 0.000 0.759 -281 A CB -0.157 18.712 19.000 -0.219 0.000 0.995 -281 A HN 0.791 nan 8.150 nan 0.000 0.506 -280 H N 1.453 120.654 119.070 0.219 0.000 2.518 -280 H HA -0.158 4.397 4.556 -0.001 0.000 0.292 -280 H C 1.054 176.562 175.328 0.299 0.000 1.068 -280 H CA 1.509 57.701 56.048 0.239 0.000 1.275 -280 H CB -0.400 29.396 29.762 0.057 0.000 1.375 -280 H HN 0.833 nan 8.280 nan 0.000 0.563 -279 D N 1.366 121.542 120.400 -0.373 0.000 2.219 -279 D HA -0.163 4.477 4.640 -0.001 0.000 0.205 -279 D C 1.817 178.060 176.300 -0.095 0.000 0.970 -279 D CA 0.391 54.216 54.000 -0.292 0.000 0.851 -279 D CB -0.313 40.362 40.800 -0.208 0.000 0.943 -279 D HN 0.288 nan 8.370 nan 0.000 0.488 -278 R N -0.650 119.815 120.500 -0.058 0.000 2.276 -278 R HA 0.061 4.400 4.340 -0.001 0.000 0.203 -278 R C 1.854 177.662 176.300 -0.820 0.000 1.017 -278 R CA 0.086 55.916 56.100 -0.450 0.000 1.010 -278 R CB -0.408 29.515 30.300 -0.629 0.000 0.900 -278 R HN 0.276 nan 8.270 nan 0.000 0.469 -277 F N -0.003 119.717 119.950 -0.384 0.000 2.367 -277 F HA 0.053 4.580 4.527 -0.000 0.000 0.298 -277 F C 2.490 178.099 175.800 -0.317 0.000 1.094 -277 F CA 1.071 58.907 58.000 -0.274 0.000 1.409 -277 F CB -0.544 38.444 39.000 -0.021 0.000 1.064 -277 F HN 0.092 nan 8.300 nan 0.000 0.528 -276 G N -0.070 108.583 108.800 -0.245 0.000 2.418 -276 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.217 -276 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.217 -276 G C 2.060 176.590 174.900 -0.616 0.000 1.158 -276 G CA 0.872 45.556 45.100 -0.694 0.000 0.771 -276 G HN 0.480 nan 8.290 nan 0.000 0.545 -275 G N 0.006 108.575 108.800 -0.385 0.000 2.440 -275 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.218 -275 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.218 -275 G C 1.629 176.463 174.900 -0.110 0.000 1.154 -275 G CA 1.093 46.043 45.100 -0.251 0.000 0.767 -275 G HN 0.390 nan 8.290 nan 0.000 0.552 -274 Y N 1.263 121.484 120.300 -0.131 0.000 2.200 -274 Y HA 0.108 4.657 4.550 -0.001 0.000 0.290 -274 Y C 3.129 179.007 175.900 -0.036 0.000 1.137 -274 Y CA 0.057 58.126 58.100 -0.052 0.000 1.163 -274 Y CB -1.195 37.284 38.460 0.031 0.000 0.988 -274 Y HN 0.266 nan 8.280 nan 0.000 0.518 -273 A N 0.037 122.902 122.820 0.075 0.000 1.908 -273 A HA -0.294 4.026 4.320 -0.001 0.000 0.218 -273 A C 2.298 179.905 177.584 0.038 0.000 1.181 -273 A CA 1.914 53.974 52.037 0.038 0.000 0.627 -273 A CB -0.972 18.000 19.000 -0.047 0.000 0.818 -273 A HN 0.540 nan 8.150 nan 0.000 0.445 -272 Q N -0.296 119.471 119.800 -0.055 0.000 2.135 -272 Q HA -0.155 4.184 4.340 -0.001 0.000 0.204 -272 Q C 1.657 177.689 176.000 0.052 0.000 0.981 -272 Q CA 1.832 57.674 55.803 0.064 0.000 0.856 -272 Q CB -0.159 28.601 28.738 0.036 0.000 0.902 -272 Q HN 0.549 nan 8.270 nan 0.000 0.425 -271 S N -0.855 114.863 115.700 0.030 0.000 2.603 -271 S HA 0.160 4.630 4.470 -0.001 0.000 0.220 -271 S C 0.725 175.326 174.600 0.001 0.000 0.967 -271 S CA 0.543 58.748 58.200 0.009 0.000 0.920 -271 S CB 0.400 63.598 63.200 -0.003 0.000 0.773 -271 S HN 0.710 nan 8.310 nan 0.000 0.529 -270 G N 1.441 110.259 108.800 0.031 0.000 2.246 -270 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.273 -270 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.273 -270 G C 0.367 175.274 174.900 0.011 0.000 1.055 -270 G CA 0.278 45.396 45.100 0.029 0.000 0.851 -270 G HN 0.530 nan 8.290 nan 0.000 0.500 -269 L N -1.439 119.803 121.223 0.032 0.000 2.664 -269 L HA 0.441 4.781 4.340 -0.001 0.000 0.233 -269 L C 1.106 178.062 176.870 0.143 0.000 1.113 -269 L CA 0.127 54.967 54.840 -0.001 0.000 0.896 -269 L CB 0.210 42.176 42.059 -0.156 0.000 1.163 -269 L HN 0.213 nan 8.230 nan 0.000 0.497 -268 L N 0.200 121.524 121.223 0.169 0.000 2.346 -268 L HA 0.642 4.981 4.340 -0.001 0.000 0.276 -268 L C 0.156 177.101 176.870 0.126 0.000 1.006 -268 L CA -0.644 54.311 54.840 0.191 0.000 0.817 -268 L CB 1.992 44.209 42.059 0.262 0.000 1.272 -268 L HN -0.090 nan 8.230 nan 0.000 0.421 -267 A N 2.167 125.048 122.820 0.103 0.000 2.388 -267 A HA 0.219 4.538 4.320 -0.001 0.000 0.257 -267 A C 0.028 177.652 177.584 0.068 0.000 1.095 -267 A CA -0.246 51.834 52.037 0.072 0.000 0.791 -267 A CB 0.388 19.424 19.000 0.060 0.000 1.029 -267 A HN 0.793 nan 8.150 nan 0.000 0.489 -266 E N 1.298 121.528 120.200 0.051 0.000 2.360 -266 E HA 0.321 4.670 4.350 -0.001 0.000 0.269 -266 E C -0.335 176.267 176.600 0.003 0.000 1.022 -266 E CA -0.284 56.135 56.400 0.030 0.000 0.887 -266 E CB 0.312 30.027 29.700 0.024 0.000 0.990 -266 E HN 0.563 nan 8.360 nan 0.000 0.426 -265 I N 1.320 121.862 120.570 -0.047 0.000 2.428 -265 I HA 0.351 4.520 4.170 -0.001 0.000 0.296 -265 I C 0.154 176.206 176.117 -0.108 0.000 0.985 -265 I CA -0.640 60.602 61.300 -0.098 0.000 1.260 -265 I CB 1.844 39.654 38.000 -0.318 0.000 1.389 -265 I HN 0.388 nan 8.210 nan 0.000 0.484 -264 T N 2.077 116.598 114.554 -0.054 0.000 3.327 -264 T HA 0.449 4.798 4.350 -0.001 0.000 0.244 -264 T C -2.293 172.384 174.700 -0.039 0.000 1.074 -264 T CA -1.381 60.689 62.100 -0.049 0.000 1.156 -264 T CB -0.484 68.375 68.868 -0.015 0.000 1.087 -264 T HN 0.556 nan 8.240 nan 0.000 0.575 -263 P HA 0.287 nan 4.420 nan 0.000 0.280 -263 P C -0.300 176.985 177.300 -0.024 0.000 1.244 -263 P CA -0.178 62.921 63.100 -0.002 0.000 0.784 -263 P CB 0.934 32.699 31.700 0.108 0.000 0.913 -262 D N 1.403 121.826 120.400 0.038 0.000 2.384 -262 D HA 0.028 4.667 4.640 -0.001 0.000 0.244 -262 D C 1.194 177.501 176.300 0.013 0.000 1.251 -262 D CA -0.418 53.592 54.000 0.016 0.000 0.961 -262 D CB 0.780 41.599 40.800 0.032 0.000 1.116 -262 D HN 0.254 nan 8.370 nan 0.000 0.484 -261 K N -0.289 120.096 120.400 -0.024 0.000 2.097 -261 K HA -0.183 4.136 4.320 -0.001 0.000 0.206 -261 K C 1.936 178.532 176.600 -0.007 0.000 1.049 -261 K CA 1.213 57.470 56.287 -0.050 0.000 0.933 -261 K CB -0.421 32.053 32.500 -0.045 0.000 0.717 -261 K HN 0.526 nan 8.250 nan 0.000 0.442 -260 A N 0.624 123.465 122.820 0.035 0.000 1.908 -260 A HA -0.191 4.128 4.320 -0.001 0.000 0.218 -260 A C 1.973 179.611 177.584 0.091 0.000 1.181 -260 A CA 1.367 53.436 52.037 0.053 0.000 0.627 -260 A CB -0.743 18.295 19.000 0.063 0.000 0.818 -260 A HN 0.485 nan 8.150 nan 0.000 0.445 -259 F N 0.439 120.408 119.950 0.030 0.000 2.186 -259 F HA -0.147 4.377 4.527 -0.004 0.000 0.299 -259 F C 2.532 178.431 175.800 0.165 0.000 1.090 -259 F CA 1.977 60.035 58.000 0.095 0.000 1.307 -259 F CB -0.220 38.860 39.000 0.133 0.000 1.019 -259 F HN 0.289 nan 8.300 nan 0.000 0.489 -258 Q N -0.074 119.801 119.800 0.125 0.000 2.124 -258 Q HA -0.225 4.114 4.340 -0.001 0.000 0.202 -258 Q C 1.592 177.672 176.000 0.133 0.000 0.977 -258 Q CA 1.642 57.456 55.803 0.018 0.000 0.850 -258 Q CB -0.310 28.124 28.738 -0.507 0.000 0.901 -258 Q HN 0.370 nan 8.270 nan 0.000 0.429 -257 D N 0.465 120.867 120.400 0.004 0.000 2.311 -257 D HA -0.124 4.515 4.640 -0.001 0.000 0.212 -257 D C 1.244 177.503 176.300 -0.068 0.000 0.972 -257 D CA 1.061 55.055 54.000 -0.011 0.000 0.887 -257 D CB 0.020 40.806 40.800 -0.024 0.000 0.915 -257 D HN 0.207 nan 8.370 nan 0.000 0.497 -256 K N -0.431 119.881 120.400 -0.147 0.000 2.365 -256 K HA 0.100 4.420 4.320 -0.001 0.000 0.197 -256 K C 0.692 177.112 176.600 -0.300 0.000 1.042 -256 K CA 0.330 56.465 56.287 -0.254 0.000 0.987 -256 K CB 0.639 32.902 32.500 -0.395 0.000 0.779 -256 K HN 0.152 nan 8.250 nan 0.000 0.484 -255 L N 0.600 121.701 121.223 -0.202 0.000 2.322 -255 L HA 0.332 4.671 4.340 -0.001 0.000 0.269 -255 L C -0.240 176.477 176.870 -0.256 0.000 1.012 -255 L CA -1.306 53.343 54.840 -0.318 0.000 0.815 -255 L CB 0.550 42.339 42.059 -0.449 0.000 1.295 -255 L HN -0.070 nan 8.230 nan 0.000 0.438 -254 Y N 1.428 121.602 120.300 -0.210 0.000 2.620 -254 Y HA 0.016 4.567 4.550 0.001 0.000 0.330 -254 Y C -1.374 174.438 175.900 -0.146 0.000 1.186 -254 Y CA -1.115 56.891 58.100 -0.157 0.000 1.467 -254 Y CB -0.110 38.198 38.460 -0.252 0.000 1.262 -254 Y HN 0.433 nan 8.280 nan 0.000 0.550 -253 P HA -0.282 nan 4.420 nan 0.000 0.216 -253 P C 1.474 178.894 177.300 0.200 0.000 1.157 -253 P CA 1.958 65.222 63.100 0.273 0.000 0.880 -253 P CB -0.162 31.689 31.700 0.251 0.000 0.791 -252 F N -0.447 119.585 119.950 0.137 0.000 2.333 -252 F HA -0.115 4.411 4.527 -0.000 0.000 0.300 -252 F C 1.839 177.647 175.800 0.015 0.000 1.083 -252 F CA 1.525 59.565 58.000 0.065 0.000 1.395 -252 F CB -2.142 36.870 39.000 0.020 0.000 1.056 -252 F HN -0.076 nan 8.300 nan 0.000 0.529 -251 T N -3.208 110.884 114.554 -0.771 0.000 2.896 -251 T HA -0.158 4.192 4.350 -0.001 0.000 0.263 -251 T C 1.624 176.096 174.700 -0.381 0.000 1.050 -251 T CA 0.986 62.680 62.100 -0.676 0.000 1.140 -251 T CB -1.217 67.175 68.868 -0.793 0.000 0.877 -251 T HN 0.562 nan 8.240 nan 0.000 0.457 -250 W N 2.234 123.441 121.300 -0.154 0.000 2.338 -250 W HA -0.030 4.628 4.660 -0.003 0.000 0.304 -250 W C 2.197 178.688 176.519 -0.047 0.000 1.212 -250 W CA 0.560 57.854 57.345 -0.085 0.000 1.264 -250 W CB -0.265 29.163 29.460 -0.053 0.000 1.142 -250 W HN 0.224 nan 8.180 nan 0.000 0.512 -249 D N 0.103 120.623 120.400 0.199 0.000 2.149 -249 D HA -0.194 4.445 4.640 -0.001 0.000 0.198 -249 D C 2.171 178.538 176.300 0.112 0.000 0.990 -249 D CA 1.856 55.949 54.000 0.155 0.000 0.839 -249 D CB -0.916 39.979 40.800 0.157 0.000 0.948 -249 D HN 0.154 nan 8.370 nan 0.000 0.460 -248 A N 0.489 123.318 122.820 0.016 0.000 2.070 -248 A HA -0.086 4.233 4.320 -0.001 0.000 0.220 -248 A C 2.025 179.637 177.584 0.046 0.000 1.159 -248 A CA 1.462 53.448 52.037 -0.085 0.000 0.656 -248 A CB -0.210 18.519 19.000 -0.451 0.000 0.800 -248 A HN 0.251 nan 8.150 nan 0.000 0.453 -247 V N -3.505 116.442 119.914 0.055 0.000 3.214 -247 V HA 0.401 4.521 4.120 -0.001 0.000 0.330 -247 V C 0.391 176.572 176.094 0.144 0.000 1.403 -247 V CA -0.392 61.950 62.300 0.070 0.000 1.143 -247 V CB -0.753 31.044 31.823 -0.044 0.000 1.098 -247 V HN 0.370 nan 8.190 nan 0.000 0.463 -246 R N 0.942 121.547 120.500 0.176 0.000 2.265 -246 R HA 0.513 4.853 4.340 -0.001 0.000 0.319 -246 R C -1.645 174.803 176.300 0.246 0.000 1.006 -246 R CA -0.647 55.559 56.100 0.177 0.000 0.880 -246 R CB 1.066 31.449 30.300 0.139 0.000 1.077 -246 R HN 0.504 nan 8.270 nan 0.000 0.454 -245 Y N 4.221 124.572 120.300 0.085 0.000 2.354 -245 Y HA 0.189 4.739 4.550 -0.001 0.000 0.330 -245 Y C -0.529 175.410 175.900 0.064 0.000 1.011 -245 Y CA -0.949 57.202 58.100 0.085 0.000 1.099 -245 Y CB 1.190 39.707 38.460 0.096 0.000 1.179 -245 Y HN 0.927 nan 8.280 nan 0.000 0.442 -244 N N 4.278 122.666 118.700 -0.519 0.000 2.714 -244 N HA -0.253 4.487 4.740 -0.001 0.000 0.252 -244 N C 0.876 176.318 175.510 -0.113 0.000 1.014 -244 N CA 0.822 53.677 53.050 -0.324 0.000 0.735 -244 N CB -0.841 37.433 38.487 -0.355 0.000 0.924 -244 N HN 1.253 nan 8.380 nan 0.000 0.540 -243 G N -1.001 107.766 108.800 -0.054 0.000 2.162 -243 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.260 -243 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.260 -243 G C -0.042 174.858 174.900 -0.000 0.000 0.976 -243 G CA 0.963 46.053 45.100 -0.017 0.000 0.655 -243 G HN 0.482 nan 8.290 nan 0.000 0.533 -242 K N -0.281 120.135 120.400 0.026 0.000 2.270 -242 K HA 0.682 5.001 4.320 -0.001 0.000 0.255 -242 K C 0.352 176.993 176.600 0.068 0.000 0.936 -242 K CA -0.868 55.441 56.287 0.038 0.000 0.809 -242 K CB 1.750 34.283 32.500 0.055 0.000 1.131 -242 K HN 0.129 nan 8.250 nan 0.000 0.427 -241 L N 5.012 126.250 121.223 0.025 0.000 2.361 -241 L HA 0.255 4.594 4.340 -0.001 0.000 0.278 -241 L C 0.935 177.820 176.870 0.026 0.000 1.113 -241 L CA 0.065 54.925 54.840 0.034 0.000 0.849 -241 L CB 0.121 42.159 42.059 -0.035 0.000 1.155 -241 L HN 0.731 nan 8.230 nan 0.000 0.452 -240 I N 0.063 120.665 120.570 0.053 0.000 4.147 -240 I HA 0.667 4.836 4.170 -0.001 0.000 0.329 -240 I C 0.303 176.411 176.117 -0.015 0.000 1.424 -240 I CA -0.219 61.119 61.300 0.064 0.000 1.127 -240 I CB 0.593 38.689 38.000 0.161 0.000 1.128 -240 I HN 0.505 nan 8.210 nan 0.000 0.417 -239 A N 0.178 122.920 122.820 -0.129 0.000 2.597 -239 A HA 0.649 4.969 4.320 -0.001 0.000 0.292 -239 A C -1.983 175.456 177.584 -0.242 0.000 1.057 -239 A CA -0.441 51.441 52.037 -0.259 0.000 0.674 -239 A CB 0.576 19.185 19.000 -0.652 0.000 1.278 -239 A HN 0.172 nan 8.150 nan 0.000 0.416 -238 Y N 1.334 121.551 120.300 -0.138 0.000 2.336 -238 Y HA 0.439 4.989 4.550 0.001 0.000 0.335 -238 Y C -2.024 173.700 175.900 -0.294 0.000 1.046 -238 Y CA -1.576 56.449 58.100 -0.125 0.000 1.198 -238 Y CB 0.937 39.361 38.460 -0.059 0.000 1.182 -238 Y HN 0.398 nan 8.280 nan 0.000 0.502 -237 P HA 0.121 nan 4.420 nan 0.000 0.279 -237 P C -0.051 177.133 177.300 -0.192 0.000 1.239 -237 P CA 0.019 62.925 63.100 -0.322 0.000 0.789 -237 P CB 1.389 32.766 31.700 -0.538 0.000 0.933 -236 I N 0.625 121.143 120.570 -0.086 0.000 3.366 -236 I HA 0.373 4.542 4.170 -0.001 0.000 0.267 -236 I C 0.933 177.062 176.117 0.020 0.000 1.149 -236 I CA 0.304 61.612 61.300 0.014 0.000 1.436 -236 I CB -1.007 37.079 38.000 0.142 0.000 1.379 -236 I HN 0.307 nan 8.210 nan 0.000 0.460 -235 A N 0.693 123.529 122.820 0.028 0.000 2.594 -235 A HA 0.683 5.003 4.320 -0.001 0.000 0.295 -235 A C -1.275 176.346 177.584 0.062 0.000 1.071 -235 A CA -0.370 51.700 52.037 0.055 0.000 0.685 -235 A CB 1.739 20.791 19.000 0.087 0.000 1.285 -235 A HN -0.141 nan 8.150 nan 0.000 0.405 -234 V N 1.866 121.835 119.914 0.091 0.000 2.370 -234 V HA 0.430 4.550 4.120 -0.001 0.000 0.283 -234 V C -0.253 175.929 176.094 0.146 0.000 1.023 -234 V CA -0.286 62.095 62.300 0.136 0.000 0.857 -234 V CB 1.020 32.962 31.823 0.199 0.000 0.985 -234 V HN 0.888 nan 8.190 nan 0.000 0.443 -233 E N 3.460 123.772 120.200 0.188 0.000 2.183 -233 E HA 0.835 5.185 4.350 -0.001 0.000 0.271 -233 E C -0.518 176.231 176.600 0.248 0.000 0.919 -233 E CA -0.700 55.837 56.400 0.230 0.000 0.781 -233 E CB 2.449 32.368 29.700 0.366 0.000 1.140 -233 E HN 0.798 nan 8.360 nan 0.000 0.402 -232 A N 2.904 125.827 122.820 0.171 0.000 2.549 -232 A HA 0.491 4.810 4.320 -0.001 0.000 0.297 -232 A C -0.900 176.710 177.584 0.044 0.000 1.061 -232 A CA -0.779 51.346 52.037 0.147 0.000 0.690 -232 A CB 0.860 19.930 19.000 0.116 0.000 1.287 -232 A HN 0.570 nan 8.150 nan 0.000 0.402 -231 L N 1.464 122.684 121.223 -0.005 0.000 2.461 -231 L HA 0.392 4.732 4.340 -0.001 0.000 0.272 -231 L C 0.607 177.466 176.870 -0.019 0.000 1.197 -231 L CA 0.232 55.034 54.840 -0.063 0.000 0.836 -231 L CB 0.970 42.949 42.059 -0.134 0.000 1.105 -231 L HN 0.728 nan 8.230 nan 0.000 0.477 -230 S N 1.623 117.319 115.700 -0.006 0.000 2.667 -230 S HA 0.541 5.010 4.470 -0.001 0.000 0.292 -230 S C -0.978 173.616 174.600 -0.011 0.000 1.126 -230 S CA -0.666 57.546 58.200 0.021 0.000 0.881 -230 S CB 1.992 65.249 63.200 0.094 0.000 1.132 -230 S HN 0.368 nan 8.310 nan 0.000 0.492 -229 L N 2.453 123.663 121.223 -0.023 0.000 2.313 -229 L HA 0.515 4.854 4.340 -0.001 0.000 0.282 -229 L C -1.213 175.684 176.870 0.044 0.000 1.092 -229 L CA 0.276 55.089 54.840 -0.046 0.000 0.831 -229 L CB -0.311 41.686 42.059 -0.102 0.000 1.159 -229 L HN 0.496 nan 8.230 nan 0.000 0.442 -228 I N 6.578 127.134 120.570 -0.023 0.000 2.354 -228 I HA 0.356 4.525 4.170 -0.001 0.000 0.292 -228 I C -0.848 175.279 176.117 0.018 0.000 0.989 -228 I CA -0.801 60.473 61.300 -0.044 0.000 1.188 -228 I CB 0.990 38.821 38.000 -0.282 0.000 1.342 -228 I HN 0.599 nan 8.210 nan 0.000 0.457 -227 Y N 4.088 124.449 120.300 0.102 0.000 2.576 -227 Y HA 0.526 5.075 4.550 -0.001 0.000 0.346 -227 Y C -0.766 175.394 175.900 0.434 0.000 1.018 -227 Y CA -1.637 56.622 58.100 0.265 0.000 1.050 -227 Y CB 0.885 39.406 38.460 0.102 0.000 1.280 -227 Y HN 0.458 nan 8.280 nan 0.000 0.474 -226 N N 2.480 121.399 118.700 0.366 0.000 2.420 -226 N HA 0.158 4.897 4.740 -0.001 0.000 0.249 -226 N C 0.135 175.686 175.510 0.068 0.000 1.033 -226 N CA -0.096 53.000 53.050 0.077 0.000 0.944 -226 N CB 1.067 39.491 38.487 -0.105 0.000 1.113 -226 N HN 0.897 nan 8.380 nan 0.000 0.502 -225 K N 1.938 122.299 120.400 -0.065 0.000 2.103 -225 K HA -0.118 4.201 4.320 -0.001 0.000 0.207 -225 K C 0.454 177.084 176.600 0.049 0.000 1.048 -225 K CA 1.309 57.608 56.287 0.020 0.000 0.930 -225 K CB 0.281 32.737 32.500 -0.072 0.000 0.716 -225 K HN 0.533 nan 8.250 nan 0.000 0.444 -224 D N 0.769 121.172 120.400 0.004 0.000 2.144 -224 D HA -0.105 4.534 4.640 -0.001 0.000 0.200 -224 D C 1.879 178.187 176.300 0.013 0.000 0.978 -224 D CA 1.001 55.001 54.000 0.000 0.000 0.833 -224 D CB -0.015 40.770 40.800 -0.024 0.000 0.961 -224 D HN 0.178 nan 8.370 nan 0.000 0.470 -223 L N -0.638 120.598 121.223 0.021 0.000 2.249 -223 L HA 0.062 4.401 4.340 -0.001 0.000 0.207 -223 L C 0.574 177.480 176.870 0.060 0.000 1.090 -223 L CA 0.281 55.139 54.840 0.030 0.000 0.802 -223 L CB 0.304 42.375 42.059 0.020 0.000 0.947 -223 L HN -0.029 nan 8.230 nan 0.000 0.453 -222 L N 0.989 122.280 121.223 0.113 0.000 2.470 -222 L HA 0.352 4.692 4.340 -0.001 0.000 0.253 -222 L C -1.790 175.181 176.870 0.168 0.000 1.163 -222 L CA -1.717 53.200 54.840 0.128 0.000 0.932 -222 L CB 0.952 43.108 42.059 0.161 0.000 1.213 -222 L HN -0.259 nan 8.230 nan 0.000 0.485 -221 P HA -0.092 nan 4.420 nan 0.000 0.216 -221 P C -0.483 176.848 177.300 0.051 0.000 1.153 -221 P CA 1.090 64.248 63.100 0.098 0.000 0.848 -221 P CB 0.231 31.956 31.700 0.042 0.000 0.787 -220 N N 1.294 119.975 118.700 -0.032 0.000 2.626 -220 N HA 0.242 4.981 4.740 -0.001 0.000 0.242 -220 N C -2.457 172.933 175.510 -0.200 0.000 1.005 -220 N CA -1.326 51.652 53.050 -0.120 0.000 0.905 -220 N CB 1.168 39.608 38.487 -0.079 0.000 1.128 -220 N HN 0.195 nan 8.380 nan 0.000 0.512 -219 P HA 0.140 nan 4.420 nan 0.000 0.269 -219 P C -2.478 174.659 177.300 -0.272 0.000 1.215 -219 P CA -0.756 62.093 63.100 -0.420 0.000 0.780 -219 P CB -0.173 31.035 31.700 -0.819 0.000 0.898 -218 P HA 0.172 nan 4.420 nan 0.000 0.271 -218 P C 0.221 177.406 177.300 -0.192 0.000 1.216 -218 P CA -0.058 62.940 63.100 -0.169 0.000 0.776 -218 P CB 1.034 32.643 31.700 -0.151 0.000 0.881 -217 K N 0.128 120.442 120.400 -0.144 0.000 2.400 -217 K HA 0.074 4.394 4.320 -0.001 0.000 0.194 -217 K C 0.915 177.445 176.600 -0.116 0.000 1.033 -217 K CA 0.626 56.835 56.287 -0.131 0.000 1.021 -217 K CB 0.200 32.642 32.500 -0.097 0.000 0.808 -217 K HN 0.637 nan 8.250 nan 0.000 0.505 -216 T N -4.135 110.356 114.554 -0.105 0.000 2.893 -216 T HA 0.187 4.537 4.350 -0.001 0.000 0.291 -216 T C 0.237 174.907 174.700 -0.049 0.000 1.028 -216 T CA -0.935 61.135 62.100 -0.049 0.000 0.995 -216 T CB 1.021 69.883 68.868 -0.009 0.000 1.051 -216 T HN 0.158 nan 8.240 nan 0.000 0.470 -215 W N 0.976 122.239 121.300 -0.062 0.000 2.342 -215 W HA 0.029 4.689 4.660 -0.001 0.000 0.297 -215 W C 2.137 178.652 176.519 -0.007 0.000 1.213 -215 W CA 1.141 58.441 57.345 -0.075 0.000 1.251 -215 W CB -0.174 29.123 29.460 -0.271 0.000 1.136 -215 W HN 0.813 nan 8.180 nan 0.000 0.526 -214 E N 0.085 120.372 120.200 0.145 0.000 2.204 -214 E HA -0.230 4.119 4.350 -0.001 0.000 0.195 -214 E C 1.831 178.576 176.600 0.241 0.000 0.990 -214 E CA 1.668 58.208 56.400 0.234 0.000 0.821 -214 E CB -0.462 29.302 29.700 0.106 0.000 0.750 -214 E HN 0.516 nan 8.360 nan 0.000 0.477 -213 E N 0.302 120.581 120.200 0.133 0.000 2.489 -213 E HA -0.022 4.327 4.350 -0.001 0.000 0.193 -213 E C 1.621 178.256 176.600 0.058 0.000 1.057 -213 E CA 0.124 56.567 56.400 0.073 0.000 0.866 -213 E CB -0.070 29.640 29.700 0.016 0.000 0.916 -213 E HN 0.292 nan 8.360 nan 0.000 0.500 -212 I N 1.592 122.232 120.570 0.118 0.000 2.252 -212 I HA -0.126 4.043 4.170 -0.001 0.000 0.245 -212 I C -0.557 175.525 176.117 -0.058 0.000 1.102 -212 I CA 0.705 62.043 61.300 0.063 0.000 1.385 -212 I CB -1.177 36.907 38.000 0.141 0.000 1.064 -212 I HN 0.094 nan 8.210 nan 0.000 0.414 -211 P HA -0.221 nan 4.420 nan 0.000 0.215 -211 P C 1.466 178.554 177.300 -0.353 0.000 1.157 -211 P CA 2.008 64.767 63.100 -0.568 0.000 0.874 -211 P CB -0.020 31.509 31.700 -0.285 0.000 0.790 -210 A N -1.251 121.504 122.820 -0.108 0.000 1.968 -210 A HA -0.130 4.189 4.320 -0.001 0.000 0.217 -210 A C 2.107 179.673 177.584 -0.029 0.000 1.169 -210 A CA 1.128 53.144 52.037 -0.036 0.000 0.638 -210 A CB -1.529 17.472 19.000 0.002 0.000 0.812 -210 A HN 0.139 nan 8.150 nan 0.000 0.446 -209 L N 0.223 121.423 121.223 -0.037 0.000 2.056 -209 L HA -0.113 4.226 4.340 -0.001 0.000 0.207 -209 L C 1.898 178.763 176.870 -0.008 0.000 1.078 -209 L CA 2.618 57.447 54.840 -0.018 0.000 0.749 -209 L CB -0.571 41.477 42.059 -0.019 0.000 0.901 -209 L HN 0.495 nan 8.230 nan 0.000 0.433 -208 D N -0.753 119.626 120.400 -0.036 0.000 2.117 -208 D HA -0.257 4.382 4.640 -0.001 0.000 0.198 -208 D C 2.266 178.608 176.300 0.070 0.000 0.982 -208 D CA 1.387 55.401 54.000 0.023 0.000 0.828 -208 D CB -0.069 40.747 40.800 0.027 0.000 0.967 -208 D HN 0.282 nan 8.370 nan 0.000 0.464 -207 K N 0.369 120.806 120.400 0.062 0.000 2.063 -207 K HA -0.227 4.092 4.320 -0.001 0.000 0.208 -207 K C 2.113 178.747 176.600 0.057 0.000 1.048 -207 K CA 1.402 57.746 56.287 0.096 0.000 0.928 -207 K CB -0.110 32.448 32.500 0.096 0.000 0.713 -207 K HN 0.193 nan 8.250 nan 0.000 0.442 -206 E N 0.465 120.687 120.200 0.036 0.000 2.072 -206 E HA -0.181 4.169 4.350 -0.001 0.000 0.191 -206 E C 2.096 178.714 176.600 0.029 0.000 0.985 -206 E CA 1.026 57.443 56.400 0.027 0.000 0.801 -206 E CB 0.018 29.729 29.700 0.017 0.000 0.750 -206 E HN 0.338 nan 8.360 nan 0.000 0.452 -205 L N 0.659 121.902 121.223 0.035 0.000 2.109 -205 L HA -0.121 4.218 4.340 -0.001 0.000 0.207 -205 L C 2.573 179.466 176.870 0.038 0.000 1.086 -205 L CA 0.763 55.624 54.840 0.036 0.000 0.760 -205 L CB -0.185 41.899 42.059 0.041 0.000 0.910 -205 L HN -0.056 nan 8.230 nan 0.000 0.437 -204 K N 0.224 120.654 120.400 0.050 0.000 2.211 -204 K HA -0.129 4.191 4.320 -0.001 0.000 0.204 -204 K C 2.073 178.694 176.600 0.034 0.000 1.047 -204 K CA 1.373 57.689 56.287 0.048 0.000 0.935 -204 K CB -0.340 32.198 32.500 0.064 0.000 0.728 -204 K HN 0.303 nan 8.250 nan 0.000 0.452 -203 A N 1.182 124.021 122.820 0.032 0.000 2.067 -203 A HA -0.117 4.203 4.320 -0.001 0.000 0.219 -203 A C 1.645 179.240 177.584 0.018 0.000 1.158 -203 A CA 1.249 53.300 52.037 0.024 0.000 0.661 -203 A CB -0.092 18.922 19.000 0.023 0.000 0.801 -203 A HN 0.190 nan 8.150 nan 0.000 0.452 -202 K N -1.086 119.325 120.400 0.018 0.000 2.437 -202 K HA 0.312 4.631 4.320 -0.001 0.000 0.205 -202 K C 0.655 177.262 176.600 0.012 0.000 1.026 -202 K CA 0.398 56.692 56.287 0.013 0.000 1.153 -202 K CB 0.092 32.599 32.500 0.012 0.000 0.863 -202 K HN 0.534 nan 8.250 nan 0.000 0.502 -201 G N 1.962 110.771 108.800 0.015 0.000 2.246 -201 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.273 -201 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.273 -201 G C -0.298 174.611 174.900 0.014 0.000 1.055 -201 G CA 0.345 45.452 45.100 0.013 0.000 0.851 -201 G HN 0.130 nan 8.290 nan 0.000 0.500 -200 K N -0.863 119.550 120.400 0.022 0.000 2.399 -200 K HA 0.826 5.145 4.320 -0.001 0.000 0.260 -200 K C -0.001 176.625 176.600 0.044 0.000 1.049 -200 K CA -0.075 56.228 56.287 0.026 0.000 0.890 -200 K CB 1.739 34.251 32.500 0.021 0.000 1.430 -200 K HN 0.751 nan 8.250 nan 0.000 0.459 -199 S N -1.593 114.140 115.700 0.055 0.000 2.599 -199 S HA 0.632 5.101 4.470 -0.001 0.000 0.287 -199 S C 0.595 175.248 174.600 0.090 0.000 1.105 -199 S CA -0.231 58.016 58.200 0.078 0.000 0.899 -199 S CB 1.881 65.132 63.200 0.084 0.000 1.100 -199 S HN 0.590 nan 8.310 nan 0.000 0.482 -198 A N 0.730 123.608 122.820 0.097 0.000 1.872 -198 A HA 0.422 4.741 4.320 -0.001 0.000 0.214 -198 A C 0.586 178.246 177.584 0.127 0.000 1.187 -198 A CA 1.207 53.299 52.037 0.093 0.000 0.614 -198 A CB -0.625 18.413 19.000 0.063 0.000 0.826 -198 A HN 1.189 nan 8.150 nan 0.000 0.442 -197 L N -1.124 120.193 121.223 0.157 0.000 2.526 -197 L HA 0.650 4.989 4.340 -0.001 0.000 0.263 -197 L C -1.341 175.671 176.870 0.237 0.000 0.943 -197 L CA -0.136 54.829 54.840 0.208 0.000 0.859 -197 L CB 1.782 43.978 42.059 0.228 0.000 1.313 -197 L HN 0.299 nan 8.230 nan 0.000 0.406 -196 M N 6.119 125.867 119.600 0.246 0.000 2.267 -196 M HA 0.597 5.077 4.480 -0.001 0.000 0.289 -196 M C -1.479 174.974 176.300 0.255 0.000 1.043 -196 M CA -0.440 54.968 55.300 0.179 0.000 0.928 -196 M CB 2.044 34.705 32.600 0.101 0.000 1.613 -196 M HN 0.611 nan 8.290 nan 0.000 0.450 -195 F N 0.328 120.282 119.950 0.007 0.000 2.685 -195 F HA 0.581 5.108 4.527 -0.001 0.000 0.315 -195 F C -0.684 175.040 175.800 -0.126 0.000 1.126 -195 F CA -1.331 56.632 58.000 -0.062 0.000 0.950 -195 F CB 0.815 39.848 39.000 0.056 0.000 1.360 -195 F HN 0.471 nan 8.300 nan 0.000 0.469 -194 N N 1.682 120.225 118.700 -0.260 0.000 2.429 -194 N HA 0.131 4.870 4.740 -0.001 0.000 0.271 -194 N C 0.073 175.441 175.510 -0.237 0.000 1.272 -194 N CA 0.124 52.947 53.050 -0.379 0.000 0.921 -194 N CB 0.452 38.498 38.487 -0.736 0.000 1.128 -194 N HN 0.817 nan 8.380 nan 0.000 0.481 -193 L N 2.202 123.291 121.223 -0.224 0.000 2.607 -193 L HA 0.111 4.451 4.340 -0.001 0.000 0.228 -193 L C 1.359 178.224 176.870 -0.009 0.000 1.123 -193 L CA 0.117 54.870 54.840 -0.146 0.000 0.890 -193 L CB 0.075 42.003 42.059 -0.218 0.000 1.103 -193 L HN 0.465 nan 8.230 nan 0.000 0.468 -192 Q N -0.254 119.552 119.800 0.011 0.000 2.402 -192 Q HA 0.157 4.496 4.340 -0.001 0.000 0.206 -192 Q C 0.131 176.195 176.000 0.106 0.000 0.919 -192 Q CA 0.580 56.408 55.803 0.042 0.000 0.923 -192 Q CB 0.642 29.395 28.738 0.026 0.000 1.048 -192 Q HN 0.288 nan 8.270 nan 0.000 0.515 -191 E N 1.342 121.665 120.200 0.205 0.000 2.185 -191 E HA 0.187 4.537 4.350 -0.001 0.000 0.261 -191 E C -1.881 174.973 176.600 0.423 0.000 0.879 -191 E CA -1.969 54.613 56.400 0.304 0.000 0.756 -191 E CB 2.104 32.066 29.700 0.437 0.000 1.152 -191 E HN -0.112 nan 8.360 nan 0.000 0.416 -190 P HA -0.178 nan 4.420 nan 0.000 0.222 -190 P C 1.332 178.988 177.300 0.594 0.000 1.147 -190 P CA 0.799 64.168 63.100 0.448 0.000 0.790 -190 P CB 0.151 32.133 31.700 0.470 0.000 0.780 -189 Y N 0.573 120.984 120.300 0.185 0.000 2.193 -189 Y HA -0.221 4.329 4.550 -0.001 0.000 0.285 -189 Y C 1.933 177.970 175.900 0.229 0.000 1.166 -189 Y CA 1.684 59.837 58.100 0.087 0.000 1.181 -189 Y CB -1.081 37.192 38.460 -0.311 0.000 0.976 -189 Y HN -0.196 nan 8.280 nan 0.000 0.520 -188 F N -1.011 119.176 119.950 0.394 0.000 2.416 -188 F HA -0.060 4.466 4.527 -0.001 0.000 0.296 -188 F C 2.396 178.427 175.800 0.385 0.000 1.099 -188 F CA 1.314 59.527 58.000 0.355 0.000 1.427 -188 F CB -0.505 38.825 39.000 0.551 0.000 1.079 -188 F HN 0.061 nan 8.300 nan 0.000 0.536 -187 T N -3.574 111.340 114.554 0.599 0.000 3.037 -187 T HA -0.130 4.220 4.350 -0.001 0.000 0.251 -187 T C 1.819 176.683 174.700 0.274 0.000 1.079 -187 T CA -0.140 62.222 62.100 0.436 0.000 1.067 -187 T CB -0.639 68.447 68.868 0.364 0.000 0.948 -187 T HN 0.491 nan 8.240 nan 0.000 0.496 -186 W N 2.987 124.412 121.300 0.208 0.000 2.318 -186 W HA -0.094 4.566 4.660 -0.001 0.000 0.313 -186 W C -1.682 174.850 176.519 0.022 0.000 1.221 -186 W CA 1.289 58.729 57.345 0.157 0.000 1.266 -186 W CB -1.140 28.526 29.460 0.344 0.000 1.150 -186 W HN 0.278 nan 8.180 nan 0.000 0.496 -185 P HA -0.228 nan 4.420 nan 0.000 0.216 -185 P C 1.769 178.938 177.300 -0.219 0.000 1.150 -185 P CA 1.729 64.760 63.100 -0.114 0.000 0.843 -185 P CB -0.482 31.231 31.700 0.021 0.000 0.787 -184 L N -0.834 120.229 121.223 -0.268 0.000 2.044 -184 L HA -0.062 4.277 4.340 -0.001 0.000 0.205 -184 L C 2.217 178.768 176.870 -0.532 0.000 1.075 -184 L CA 1.610 56.136 54.840 -0.523 0.000 0.747 -184 L CB -1.251 40.295 42.059 -0.855 0.000 0.903 -184 L HN -0.159 nan 8.230 nan 0.000 0.435 -183 I N 0.074 120.343 120.570 -0.502 0.000 2.194 -183 I HA -0.331 3.839 4.170 -0.001 0.000 0.246 -183 I C 2.453 178.177 176.117 -0.656 0.000 1.093 -183 I CA 1.441 62.416 61.300 -0.542 0.000 1.355 -183 I CB -0.596 37.092 38.000 -0.519 0.000 1.046 -183 I HN 0.404 nan 8.210 nan 0.000 0.413 -182 A N 0.228 122.509 122.820 -0.898 0.000 2.072 -182 A HA 0.145 4.465 4.320 -0.001 0.000 0.216 -182 A C 2.511 179.904 177.584 -0.319 0.000 1.156 -182 A CA 1.012 52.604 52.037 -0.741 0.000 0.701 -182 A CB -0.514 17.919 19.000 -0.946 0.000 0.816 -182 A HN 0.382 nan 8.150 nan 0.000 0.458 -181 A N 0.091 122.768 122.820 -0.238 0.000 1.884 -181 A HA -0.236 4.083 4.320 -0.001 0.000 0.219 -181 A C 1.634 179.211 177.584 -0.012 0.000 1.197 -181 A CA 2.170 54.168 52.037 -0.065 0.000 0.637 -181 A CB -0.423 18.599 19.000 0.037 0.000 0.827 -181 A HN 0.383 nan 8.150 nan 0.000 0.450 -180 D N -2.826 117.591 120.400 0.028 0.000 2.525 -180 D HA 0.396 5.036 4.640 -0.001 0.000 0.229 -180 D C 0.746 177.048 176.300 0.004 0.000 1.202 -180 D CA 0.896 54.905 54.000 0.014 0.000 0.828 -180 D CB 0.065 40.869 40.800 0.007 0.000 1.008 -180 D HN 0.489 nan 8.370 nan 0.000 0.493 -179 G N -1.143 107.649 108.800 -0.014 0.000 2.672 -179 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.197 -179 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.197 -179 G C 0.788 175.727 174.900 0.066 0.000 0.995 -179 G CA -0.221 44.906 45.100 0.044 0.000 0.754 -179 G HN 0.490 nan 8.290 nan 0.000 0.505 -178 G N 0.504 109.250 108.800 -0.090 0.000 2.414 -178 G HA2 0.593 4.553 3.960 -0.001 0.000 0.236 -178 G HA3 0.593 4.553 3.960 -0.001 0.000 0.236 -178 G C -0.210 174.678 174.900 -0.019 0.000 1.293 -178 G CA 0.809 45.801 45.100 -0.179 0.000 0.869 -178 G HN 1.492 nan 8.290 nan 0.000 0.556 -177 Y N -1.503 118.867 120.300 0.117 0.000 2.638 -177 Y HA 0.730 5.279 4.550 -0.001 0.000 0.335 -177 Y C 0.576 176.628 175.900 0.254 0.000 1.155 -177 Y CA -0.824 57.420 58.100 0.240 0.000 1.046 -177 Y CB 0.799 39.332 38.460 0.121 0.000 1.303 -177 Y HN 0.661 nan 8.280 nan 0.000 0.460 -176 A N 1.335 124.264 122.820 0.182 0.000 1.903 -176 A HA 0.381 4.700 4.320 -0.001 0.000 0.217 -176 A C -0.400 176.862 177.584 -0.538 0.000 1.387 -176 A CA 0.790 52.479 52.037 -0.580 0.000 0.604 -176 A CB -0.476 17.772 19.000 -1.253 0.000 1.043 -176 A HN 0.555 nan 8.150 nan 0.000 0.481 -175 F N -0.454 119.567 119.950 0.119 0.000 2.495 -175 F HA 0.546 5.072 4.527 -0.001 0.000 0.327 -175 F C 0.142 176.210 175.800 0.447 0.000 1.103 -175 F CA -1.045 57.117 58.000 0.269 0.000 0.949 -175 F CB 1.528 40.603 39.000 0.126 0.000 1.142 -175 F HN 0.042 nan 8.300 nan 0.000 0.457 -174 K N 2.138 122.836 120.400 0.497 0.000 2.447 -174 K HA 0.024 4.343 4.320 -0.001 0.000 0.281 -174 K C -1.383 175.373 176.600 0.259 0.000 1.031 -174 K CA 0.145 56.534 56.287 0.170 0.000 1.019 -174 K CB -0.030 32.480 32.500 0.016 0.000 0.918 -174 K HN 0.541 nan 8.250 nan 0.000 0.476 -173 Y N 3.473 123.782 120.300 0.014 0.000 2.477 -173 Y HA 0.245 4.795 4.550 -0.001 0.000 0.349 -173 Y C -0.721 175.090 175.900 -0.148 0.000 0.977 -173 Y CA -0.682 57.303 58.100 -0.192 0.000 1.214 -173 Y CB 0.732 39.027 38.460 -0.276 0.000 1.124 -173 Y HN 0.595 nan 8.280 nan 0.000 0.521 -172 E N 4.443 124.349 120.200 -0.489 0.000 2.092 -172 E HA 0.241 4.590 4.350 -0.001 0.000 0.271 -172 E C -0.839 175.465 176.600 -0.494 0.000 0.919 -172 E CA -0.587 55.609 56.400 -0.341 0.000 0.760 -172 E CB 0.028 29.615 29.700 -0.188 0.000 1.106 -172 E HN 0.675 nan 8.360 nan 0.000 0.408 -171 N N 3.151 121.623 118.700 -0.378 0.000 2.047 -171 N HA 0.021 4.760 4.740 -0.001 0.000 0.292 -171 N C 0.891 176.189 175.510 -0.353 0.000 1.356 -171 N CA 1.498 54.336 53.050 -0.354 0.000 0.836 -171 N CB 0.277 38.684 38.487 -0.133 0.000 1.113 -171 N HN 0.804 nan 8.380 nan 0.000 0.495 -170 G N 1.659 110.190 108.800 -0.448 0.000 2.792 -170 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.201 -170 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.201 -170 G C -0.429 174.221 174.900 -0.417 0.000 1.322 -170 G CA 0.208 45.136 45.100 -0.286 0.000 0.910 -170 G HN 0.742 nan 8.290 nan 0.000 0.535 -169 K N -0.713 119.245 120.400 -0.736 0.000 2.548 -169 K HA 0.662 4.981 4.320 -0.001 0.000 0.282 -169 K C -1.422 174.875 176.600 -0.505 0.000 1.006 -169 K CA -1.174 54.843 56.287 -0.450 0.000 0.892 -169 K CB 1.193 33.604 32.500 -0.148 0.000 1.499 -169 K HN 0.150 nan 8.250 nan 0.000 0.433 -168 Y N 0.624 120.947 120.300 0.038 0.000 2.304 -168 Y HA 0.171 4.720 4.550 -0.001 0.000 0.328 -168 Y C -0.025 175.887 175.900 0.020 0.000 1.123 -168 Y CA -0.096 58.063 58.100 0.098 0.000 1.218 -168 Y CB 1.023 39.552 38.460 0.114 0.000 1.207 -168 Y HN 0.583 nan 8.280 nan 0.000 0.495 -167 D N 4.131 124.668 120.400 0.227 0.000 2.396 -167 D HA 0.115 4.754 4.640 -0.001 0.000 0.225 -167 D C 0.886 177.339 176.300 0.255 0.000 1.121 -167 D CA -0.322 53.770 54.000 0.154 0.000 0.853 -167 D CB 0.503 41.358 40.800 0.092 0.000 1.043 -167 D HN 0.625 nan 8.370 nan 0.000 0.500 -166 I N 0.791 121.460 120.570 0.164 0.000 3.001 -166 I HA -0.091 4.079 4.170 -0.001 0.000 0.268 -166 I C 1.059 177.370 176.117 0.323 0.000 1.267 -166 I CA 0.517 61.954 61.300 0.228 0.000 1.472 -166 I CB -0.049 37.961 38.000 0.017 0.000 1.089 -166 I HN 0.084 nan 8.210 nan 0.000 0.468 -165 K N 0.649 121.170 120.400 0.201 0.000 2.400 -165 K HA 0.060 4.380 4.320 -0.001 0.000 0.194 -165 K C 0.109 176.773 176.600 0.107 0.000 1.033 -165 K CA 0.289 56.662 56.287 0.143 0.000 1.021 -165 K CB -0.039 32.481 32.500 0.034 0.000 0.808 -165 K HN 0.215 nan 8.250 nan 0.000 0.505 -164 D N 1.583 122.079 120.400 0.161 0.000 2.462 -164 D HA 0.145 4.784 4.640 -0.001 0.000 0.249 -164 D C -1.283 175.168 176.300 0.251 0.000 1.117 -164 D CA -0.439 53.645 54.000 0.140 0.000 0.900 -164 D CB 0.841 41.700 40.800 0.098 0.000 1.039 -164 D HN -0.258 nan 8.370 nan 0.000 0.516 -163 V N 2.146 122.113 119.914 0.088 0.000 2.547 -163 V HA 0.672 4.791 4.120 -0.001 0.000 0.299 -163 V C 1.279 177.166 176.094 -0.345 0.000 1.040 -163 V CA -0.720 61.513 62.300 -0.113 0.000 0.913 -163 V CB 1.991 33.744 31.823 -0.116 0.000 0.992 -163 V HN 0.604 nan 8.190 nan 0.000 0.449 -162 G N 2.273 110.579 108.800 -0.823 0.000 4.044 -162 G HA2 0.282 4.242 3.960 -0.001 0.000 0.297 -162 G HA3 0.282 4.242 3.960 -0.001 0.000 0.297 -162 G C 0.572 175.165 174.900 -0.512 0.000 1.101 -162 G CA 0.058 44.368 45.100 -1.316 0.000 0.884 -162 G HN 0.515 nan 8.290 nan 0.000 0.538 -161 V N 0.634 120.420 119.914 -0.214 0.000 3.052 -161 V HA 0.026 4.145 4.120 -0.001 0.000 0.254 -161 V C 1.537 177.607 176.094 -0.039 0.000 1.100 -161 V CA 1.787 64.079 62.300 -0.013 0.000 1.112 -161 V CB 0.349 32.208 31.823 0.060 0.000 0.738 -161 V HN 0.633 nan 8.190 nan 0.000 0.469 -160 D N -0.187 120.171 120.400 -0.069 0.000 2.720 -160 D HA 0.064 4.703 4.640 -0.001 0.000 0.285 -160 D C 0.157 176.438 176.300 -0.033 0.000 1.359 -160 D CA -0.350 53.629 54.000 -0.035 0.000 0.818 -160 D CB -0.332 40.462 40.800 -0.010 0.000 1.108 -160 D HN 0.516 nan 8.370 nan 0.000 0.474 -159 N N 0.003 118.667 118.700 -0.059 0.000 2.364 -159 N HA 0.325 5.064 4.740 -0.001 0.000 0.264 -159 N C 1.385 176.892 175.510 -0.005 0.000 1.263 -159 N CA -0.007 53.032 53.050 -0.020 0.000 0.959 -159 N CB 0.401 38.882 38.487 -0.009 0.000 1.204 -159 N HN -0.091 nan 8.380 nan 0.000 0.550 -158 A N -0.717 122.113 122.820 0.017 0.000 1.933 -158 A HA 0.013 4.332 4.320 -0.001 0.000 0.218 -158 A C 2.011 179.610 177.584 0.025 0.000 1.175 -158 A CA 1.790 53.842 52.037 0.023 0.000 0.628 -158 A CB -1.639 17.378 19.000 0.029 0.000 0.814 -158 A HN 0.802 nan 8.150 nan 0.000 0.444 -157 G N -0.820 107.991 108.800 0.018 0.000 2.403 -157 G HA2 0.103 4.062 3.960 -0.001 0.000 0.216 -157 G HA3 0.103 4.062 3.960 -0.001 0.000 0.216 -157 G C 1.682 176.575 174.900 -0.011 0.000 1.154 -157 G CA 1.192 46.306 45.100 0.023 0.000 0.784 -157 G HN 0.742 nan 8.290 nan 0.000 0.538 -156 A N 0.906 123.689 122.820 -0.061 0.000 1.898 -156 A HA 0.057 4.377 4.320 -0.001 0.000 0.216 -156 A C 2.282 179.825 177.584 -0.068 0.000 1.181 -156 A CA 1.856 53.826 52.037 -0.112 0.000 0.620 -156 A CB -0.305 18.628 19.000 -0.112 0.000 0.819 -156 A HN 0.353 nan 8.150 nan 0.000 0.442 -155 K N -0.199 120.187 120.400 -0.024 0.000 2.026 -155 K HA -0.073 4.247 4.320 -0.001 0.000 0.208 -155 K C 2.340 178.954 176.600 0.022 0.000 1.048 -155 K CA 1.176 57.462 56.287 -0.002 0.000 0.929 -155 K CB -0.370 32.138 32.500 0.013 0.000 0.713 -155 K HN 0.424 nan 8.250 nan 0.000 0.439 -154 A N 1.188 124.051 122.820 0.071 0.000 1.892 -154 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 -154 A C 2.413 180.074 177.584 0.127 0.000 1.188 -154 A CA 2.165 54.315 52.037 0.187 0.000 0.631 -154 A CB -1.329 17.834 19.000 0.271 0.000 0.822 -154 A HN 0.463 nan 8.150 nan 0.000 0.447 -153 G N -0.614 108.145 108.800 -0.068 0.000 2.404 -153 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.215 -153 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.215 -153 G C 1.472 176.149 174.900 -0.371 0.000 1.174 -153 G CA 1.128 45.909 45.100 -0.531 0.000 0.780 -153 G HN 0.469 nan 8.290 nan 0.000 0.537 -152 L N 1.103 122.213 121.223 -0.187 0.000 2.093 -152 L HA 0.049 4.388 4.340 -0.001 0.000 0.208 -152 L C 2.884 179.711 176.870 -0.073 0.000 1.085 -152 L CA 2.297 57.067 54.840 -0.116 0.000 0.755 -152 L CB -0.972 41.049 42.059 -0.063 0.000 0.904 -152 L HN 0.179 nan 8.230 nan 0.000 0.435 -151 T N -0.556 113.979 114.554 -0.032 0.000 2.720 -151 T HA -0.253 4.096 4.350 -0.001 0.000 0.268 -151 T C 1.662 176.367 174.700 0.008 0.000 1.037 -151 T CA 1.987 64.091 62.100 0.007 0.000 1.144 -151 T CB -0.594 68.308 68.868 0.056 0.000 0.864 -151 T HN 0.361 nan 8.240 nan 0.000 0.444 -150 F N 1.473 121.340 119.950 -0.137 0.000 2.134 -150 F HA -0.046 4.481 4.527 -0.001 0.000 0.299 -150 F C 1.990 177.709 175.800 -0.134 0.000 1.097 -150 F CA 0.771 58.687 58.000 -0.140 0.000 1.264 -150 F CB -0.458 38.333 39.000 -0.349 0.000 1.001 -150 F HN 0.047 nan 8.300 nan 0.000 0.479 -149 L N -0.192 120.974 121.223 -0.094 0.000 2.017 -149 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 -149 L C 2.182 178.993 176.870 -0.098 0.000 1.073 -149 L CA 1.724 56.511 54.840 -0.088 0.000 0.745 -149 L CB -1.057 40.959 42.059 -0.072 0.000 0.894 -149 L HN 0.038 nan 8.230 nan 0.000 0.432 -148 V N 0.063 119.924 119.914 -0.089 0.000 2.343 -148 V HA -0.275 3.845 4.120 -0.001 0.000 0.247 -148 V C 2.284 178.321 176.094 -0.095 0.000 1.051 -148 V CA 1.958 64.214 62.300 -0.074 0.000 1.036 -148 V CB -0.852 30.941 31.823 -0.050 0.000 0.654 -148 V HN 0.464 nan 8.190 nan 0.000 0.451 -147 D N 0.047 120.366 120.400 -0.134 0.000 2.144 -147 D HA -0.120 4.519 4.640 -0.001 0.000 0.199 -147 D C 2.150 178.353 176.300 -0.162 0.000 0.984 -147 D CA 1.060 54.970 54.000 -0.150 0.000 0.834 -147 D CB -0.274 40.422 40.800 -0.174 0.000 0.955 -147 D HN 0.334 nan 8.370 nan 0.000 0.465 -146 L N 0.325 121.416 121.223 -0.220 0.000 2.042 -146 L HA -0.180 4.159 4.340 -0.001 0.000 0.210 -146 L C 2.455 179.304 176.870 -0.035 0.000 1.076 -146 L CA 0.843 55.645 54.840 -0.063 0.000 0.749 -146 L CB -0.306 41.739 42.059 -0.024 0.000 0.893 -146 L HN 0.034 nan 8.230 nan 0.000 0.432 -145 I N -0.528 120.005 120.570 -0.062 0.000 2.202 -145 I HA -0.282 3.888 4.170 -0.001 0.000 0.242 -145 I C 2.548 178.612 176.117 -0.088 0.000 1.091 -145 I CA 1.320 62.581 61.300 -0.065 0.000 1.368 -145 I CB -0.277 37.687 38.000 -0.060 0.000 1.058 -145 I HN 0.147 nan 8.210 nan 0.000 0.410 -144 K N 0.798 121.146 120.400 -0.087 0.000 2.063 -144 K HA -0.177 4.142 4.320 -0.001 0.000 0.208 -144 K C 1.291 177.820 176.600 -0.118 0.000 1.048 -144 K CA 1.839 58.075 56.287 -0.085 0.000 0.928 -144 K CB -0.376 32.083 32.500 -0.068 0.000 0.713 -144 K HN 0.420 nan 8.250 nan 0.000 0.442 -143 N N 0.580 119.181 118.700 -0.164 0.000 2.370 -143 N HA 0.002 4.741 4.740 -0.001 0.000 0.198 -143 N C -0.709 174.490 175.510 -0.520 0.000 1.156 -143 N CA -0.004 52.876 53.050 -0.284 0.000 0.839 -143 N CB 0.469 38.824 38.487 -0.221 0.000 0.989 -143 N HN -0.022 nan 8.380 nan 0.000 0.468 -142 K N -0.177 120.031 120.400 -0.320 0.000 3.160 -142 K HA -0.210 4.110 4.320 -0.001 0.000 0.280 -142 K C -0.398 176.060 176.600 -0.238 0.000 1.154 -142 K CA 0.657 56.801 56.287 -0.239 0.000 0.822 -142 K CB -2.325 30.067 32.500 -0.179 0.000 1.239 -142 K HN 0.582 nan 8.250 nan 0.000 0.489 -141 H N -1.101 117.966 119.070 -0.005 0.000 2.551 -141 H HA 0.296 4.852 4.556 -0.001 0.000 0.266 -141 H C 1.016 176.364 175.328 0.034 0.000 0.964 -141 H CA 0.532 56.593 56.048 0.022 0.000 1.180 -141 H CB 0.381 30.163 29.762 0.032 0.000 1.408 -141 H HN 0.263 nan 8.280 nan 0.000 0.563 -140 M N 0.249 119.898 119.600 0.082 0.000 2.644 -140 M HA 0.255 4.735 4.480 -0.001 0.000 0.273 -140 M C -1.000 175.287 176.300 -0.022 0.000 1.253 -140 M CA -0.738 54.582 55.300 0.034 0.000 0.852 -140 M CB 2.656 35.273 32.600 0.029 0.000 1.708 -140 M HN -0.145 nan 8.290 nan 0.000 0.471 -139 N N 0.516 119.190 118.700 -0.042 0.000 2.392 -139 N HA 0.424 5.163 4.740 -0.001 0.000 0.283 -139 N C 0.273 175.741 175.510 -0.070 0.000 1.003 -139 N CA -0.131 52.889 53.050 -0.050 0.000 0.892 -139 N CB 1.964 40.428 38.487 -0.039 0.000 1.193 -139 N HN 0.829 nan 8.380 nan 0.000 0.487 -138 A N 1.605 124.388 122.820 -0.062 0.000 2.032 -138 A HA -0.220 4.099 4.320 -0.001 0.000 0.221 -138 A C 1.351 178.897 177.584 -0.064 0.000 1.165 -138 A CA 1.783 53.780 52.037 -0.065 0.000 0.645 -138 A CB -0.274 18.696 19.000 -0.049 0.000 0.807 -138 A HN 0.737 nan 8.150 nan 0.000 0.453 -137 D N -1.146 119.222 120.400 -0.053 0.000 2.340 -137 D HA 0.009 4.649 4.640 -0.001 0.000 0.220 -137 D C 0.115 176.384 176.300 -0.052 0.000 1.039 -137 D CA 0.512 54.486 54.000 -0.044 0.000 0.866 -137 D CB -1.158 39.624 40.800 -0.029 0.000 0.913 -137 D HN 0.159 nan 8.370 nan 0.000 0.523 -136 T N 2.207 116.715 114.554 -0.077 0.000 2.831 -136 T HA 0.232 4.581 4.350 -0.001 0.000 0.291 -136 T C -0.039 174.602 174.700 -0.099 0.000 0.981 -136 T CA 0.129 62.175 62.100 -0.090 0.000 1.174 -136 T CB 0.628 69.419 68.868 -0.130 0.000 0.929 -136 T HN 0.402 nan 8.240 nan 0.000 0.532 -135 D N 1.439 121.803 120.400 -0.061 0.000 2.650 -135 D HA 0.183 4.822 4.640 -0.001 0.000 0.255 -135 D C 0.990 177.274 176.300 -0.027 0.000 1.135 -135 D CA -1.011 52.968 54.000 -0.035 0.000 1.099 -135 D CB 0.117 40.925 40.800 0.014 0.000 1.273 -135 D HN 0.322 nan 8.370 nan 0.000 0.628 -134 Y N 0.389 120.627 120.300 -0.103 0.000 2.097 -134 Y HA -0.226 4.323 4.550 -0.001 0.000 0.282 -134 Y C 2.629 178.520 175.900 -0.015 0.000 1.152 -134 Y CA 3.353 61.399 58.100 -0.090 0.000 1.136 -134 Y CB -0.364 38.075 38.460 -0.036 0.000 0.975 -134 Y HN 0.448 nan 8.280 nan 0.000 0.498 -133 S N -0.378 115.455 115.700 0.222 0.000 2.402 -133 S HA -0.173 4.296 4.470 -0.001 0.000 0.229 -133 S C 1.980 176.609 174.600 0.048 0.000 1.021 -133 S CA 1.419 59.712 58.200 0.155 0.000 0.974 -133 S CB -0.971 62.322 63.200 0.154 0.000 0.800 -133 S HN 0.531 nan 8.310 nan 0.000 0.484 -132 I N 2.102 122.685 120.570 0.022 0.000 2.202 -132 I HA -0.102 4.068 4.170 -0.001 0.000 0.242 -132 I C 3.120 179.231 176.117 -0.010 0.000 1.091 -132 I CA 1.156 62.458 61.300 0.004 0.000 1.368 -132 I CB -0.675 37.321 38.000 -0.006 0.000 1.058 -132 I HN 0.442 nan 8.210 nan 0.000 0.410 -131 A N 0.200 122.990 122.820 -0.051 0.000 1.902 -131 A HA -0.274 4.046 4.320 -0.001 0.000 0.217 -131 A C 2.320 179.885 177.584 -0.033 0.000 1.181 -131 A CA 1.991 53.998 52.037 -0.048 0.000 0.623 -131 A CB -0.671 18.267 19.000 -0.104 0.000 0.818 -131 A HN 0.510 nan 8.150 nan 0.000 0.443 -130 E N -0.153 119.976 120.200 -0.119 0.000 2.072 -130 E HA -0.114 4.236 4.350 -0.001 0.000 0.191 -130 E C 2.145 178.773 176.600 0.047 0.000 0.985 -130 E CA 1.011 57.370 56.400 -0.068 0.000 0.801 -130 E CB -0.256 29.364 29.700 -0.132 0.000 0.750 -130 E HN 0.521 nan 8.360 nan 0.000 0.452 -129 A N 1.316 124.158 122.820 0.038 0.000 1.902 -129 A HA -0.101 4.219 4.320 -0.001 0.000 0.217 -129 A C 2.418 180.029 177.584 0.045 0.000 1.181 -129 A CA 1.842 53.905 52.037 0.044 0.000 0.623 -129 A CB -0.816 18.205 19.000 0.036 0.000 0.818 -129 A HN 0.421 nan 8.150 nan 0.000 0.443 -128 A N -1.323 121.528 122.820 0.053 0.000 1.908 -128 A HA -0.087 4.232 4.320 -0.001 0.000 0.218 -128 A C 2.099 179.729 177.584 0.075 0.000 1.181 -128 A CA 1.665 53.735 52.037 0.056 0.000 0.627 -128 A CB -0.706 18.331 19.000 0.063 0.000 0.818 -128 A HN 0.663 nan 8.150 nan 0.000 0.445 -127 F N 0.929 120.869 119.950 -0.018 0.000 2.163 -127 F HA -0.094 4.432 4.527 -0.001 0.000 0.297 -127 F C 1.927 177.711 175.800 -0.027 0.000 1.094 -127 F CA 1.877 59.867 58.000 -0.018 0.000 1.290 -127 F CB -0.233 38.749 39.000 -0.029 0.000 1.017 -127 F HN 0.280 nan 8.300 nan 0.000 0.483 -126 N N -0.209 118.533 118.700 0.071 0.000 2.515 -126 N HA -0.072 4.668 4.740 -0.001 0.000 0.185 -126 N C 0.809 176.276 175.510 -0.072 0.000 1.109 -126 N CA 0.300 53.346 53.050 -0.006 0.000 0.903 -126 N CB 0.001 38.528 38.487 0.066 0.000 0.969 -126 N HN 0.326 nan 8.380 nan 0.000 0.450 -125 K N -0.049 120.305 120.400 -0.077 0.000 2.373 -125 K HA 0.139 4.458 4.320 -0.001 0.000 0.202 -125 K C 0.659 177.194 176.600 -0.109 0.000 1.025 -125 K CA -0.047 56.198 56.287 -0.071 0.000 1.115 -125 K CB 1.035 33.516 32.500 -0.032 0.000 0.858 -125 K HN 0.098 nan 8.250 nan 0.000 0.525 -124 G N 2.195 110.875 108.800 -0.199 0.000 2.160 -124 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.251 -124 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.251 -124 G C 0.416 175.241 174.900 -0.124 0.000 1.008 -124 G CA 0.557 45.529 45.100 -0.213 0.000 0.724 -124 G HN 0.461 nan 8.290 nan 0.000 0.514 -123 E N -1.082 119.068 120.200 -0.084 0.000 2.318 -123 E HA 0.153 4.502 4.350 -0.001 0.000 0.193 -123 E C 1.137 177.738 176.600 0.003 0.000 0.998 -123 E CA 1.052 57.436 56.400 -0.027 0.000 0.859 -123 E CB 0.406 30.103 29.700 -0.005 0.000 0.812 -123 E HN 0.334 nan 8.360 nan 0.000 0.492 -122 T N -1.473 113.088 114.554 0.012 0.000 2.893 -122 T HA 0.485 4.835 4.350 -0.001 0.000 0.293 -122 T C 0.240 175.010 174.700 0.117 0.000 1.027 -122 T CA -0.244 61.911 62.100 0.092 0.000 0.988 -122 T CB 1.660 70.621 68.868 0.156 0.000 1.043 -122 T HN -0.015 nan 8.240 nan 0.000 0.461 -121 A N 4.320 127.230 122.820 0.150 0.000 2.016 -121 A HA 0.417 4.736 4.320 -0.001 0.000 0.217 -121 A C 0.780 178.600 177.584 0.392 0.000 1.162 -121 A CA 0.774 52.923 52.037 0.187 0.000 0.662 -121 A CB -0.163 18.917 19.000 0.132 0.000 0.812 -121 A HN 0.733 nan 8.150 nan 0.000 0.450 -120 M N -1.805 118.021 119.600 0.377 0.000 2.531 -120 M HA 0.453 4.933 4.480 -0.001 0.000 0.286 -120 M C -0.658 175.736 176.300 0.157 0.000 1.232 -120 M CA -0.228 55.244 55.300 0.287 0.000 0.877 -120 M CB 2.543 35.213 32.600 0.117 0.000 1.726 -120 M HN 0.062 nan 8.290 nan 0.000 0.463 -119 T N 1.327 115.788 114.554 -0.155 0.000 2.865 -119 T HA 0.799 5.148 4.350 -0.001 0.000 0.294 -119 T C -1.787 172.822 174.700 -0.151 0.000 1.119 -119 T CA -0.562 61.448 62.100 -0.150 0.000 1.007 -119 T CB 1.431 70.109 68.868 -0.316 0.000 1.225 -119 T HN 0.577 nan 8.240 nan 0.000 0.515 -118 I N 3.593 124.138 120.570 -0.041 0.000 2.418 -118 I HA 0.543 4.713 4.170 -0.001 0.000 0.287 -118 I C -0.248 175.970 176.117 0.167 0.000 1.008 -118 I CA -0.708 60.577 61.300 -0.026 0.000 1.104 -118 I CB 1.580 39.462 38.000 -0.198 0.000 1.264 -118 I HN 0.492 nan 8.210 nan 0.000 0.438 -117 N N 3.008 121.756 118.700 0.081 0.000 3.116 -117 N HA 0.494 5.234 4.740 -0.001 0.000 0.244 -117 N C -0.896 174.478 175.510 -0.228 0.000 1.485 -117 N CA -0.356 52.758 53.050 0.108 0.000 0.884 -117 N CB 2.376 40.863 38.487 0.001 0.000 1.415 -117 N HN 0.631 nan 8.380 nan 0.000 0.524 -116 G N 0.137 108.465 108.800 -0.787 0.000 2.531 -116 G HA2 0.455 4.414 3.960 -0.001 0.000 0.313 -116 G HA3 0.455 4.414 3.960 -0.001 0.000 0.313 -116 G C -1.852 172.031 174.900 -1.696 0.000 1.238 -116 G CA -1.102 43.102 45.100 -1.495 0.000 0.994 -116 G HN 0.341 nan 8.290 nan 0.000 0.493 -115 P HA -0.135 nan 4.420 nan 0.000 0.216 -115 P C 1.465 177.940 177.300 -1.375 0.000 1.150 -115 P CA 1.811 63.669 63.100 -2.071 0.000 0.843 -115 P CB -0.044 30.864 31.700 -1.319 0.000 0.787 -114 W N 0.180 121.185 121.300 -0.492 0.000 2.341 -114 W HA -0.094 4.565 4.660 -0.002 0.000 0.283 -114 W C 1.897 178.329 176.519 -0.145 0.000 1.215 -114 W CA 1.052 58.251 57.345 -0.244 0.000 1.211 -114 W CB -2.035 27.346 29.460 -0.133 0.000 1.131 -114 W HN -0.126 nan 8.180 nan 0.000 0.552 -113 A N 0.124 122.665 122.820 -0.465 0.000 2.167 -113 A HA -0.011 4.309 4.320 -0.001 0.000 0.214 -113 A C 1.582 179.166 177.584 -0.000 0.000 1.151 -113 A CA 0.968 52.947 52.037 -0.096 0.000 0.735 -113 A CB -1.178 17.731 19.000 -0.152 0.000 0.802 -113 A HN 0.446 nan 8.150 nan 0.000 0.467 -112 W N 1.144 122.374 121.300 -0.117 0.000 2.363 -112 W HA -0.137 4.521 4.660 -0.002 0.000 0.296 -112 W C 2.590 179.070 176.519 -0.064 0.000 1.212 -112 W CA 1.159 58.432 57.345 -0.121 0.000 1.260 -112 W CB -1.517 27.954 29.460 0.018 0.000 1.131 -112 W HN 0.539 nan 8.180 nan 0.000 0.530 -111 S N 0.292 116.115 115.700 0.204 0.000 2.402 -111 S HA -0.154 4.316 4.470 -0.001 0.000 0.229 -111 S C 1.585 176.239 174.600 0.090 0.000 1.021 -111 S CA 1.188 59.475 58.200 0.145 0.000 0.974 -111 S CB -0.692 62.577 63.200 0.115 0.000 0.800 -111 S HN 0.136 nan 8.310 nan 0.000 0.484 -110 N N 2.214 120.961 118.700 0.078 0.000 2.188 -110 N HA 0.096 4.836 4.740 -0.001 0.000 0.184 -110 N C 1.649 177.179 175.510 0.033 0.000 1.018 -110 N CA 1.335 54.422 53.050 0.062 0.000 0.858 -110 N CB -0.539 37.998 38.487 0.084 0.000 0.989 -110 N HN 0.542 nan 8.380 nan 0.000 0.426 -109 I N 0.823 121.382 120.570 -0.019 0.000 2.315 -109 I HA -0.194 3.975 4.170 -0.001 0.000 0.248 -109 I C 1.479 177.574 176.117 -0.035 0.000 1.117 -109 I CA 0.945 62.178 61.300 -0.111 0.000 1.404 -109 I CB -0.277 37.441 38.000 -0.471 0.000 1.071 -109 I HN -0.065 nan 8.210 nan 0.000 0.419 -108 D N 0.950 121.378 120.400 0.047 0.000 2.104 -108 D HA -0.158 4.481 4.640 -0.001 0.000 0.194 -108 D C 2.257 178.607 176.300 0.084 0.000 0.994 -108 D CA 1.824 55.906 54.000 0.137 0.000 0.830 -108 D CB -0.468 40.424 40.800 0.153 0.000 0.959 -108 D HN 0.277 nan 8.370 nan 0.000 0.452 -107 T N 0.287 114.877 114.554 0.061 0.000 2.788 -107 T HA -0.146 4.203 4.350 -0.001 0.000 0.268 -107 T C 2.061 176.781 174.700 0.034 0.000 1.044 -107 T CA 1.701 63.828 62.100 0.045 0.000 1.139 -107 T CB -0.275 68.617 68.868 0.040 0.000 0.867 -107 T HN 0.232 nan 8.240 nan 0.000 0.454 -106 S N 0.977 116.694 115.700 0.028 0.000 2.474 -106 S HA -0.071 4.399 4.470 -0.001 0.000 0.235 -106 S C 1.071 175.676 174.600 0.008 0.000 0.997 -106 S CA 0.703 58.910 58.200 0.011 0.000 0.949 -106 S CB -0.344 62.855 63.200 -0.001 0.000 0.766 -106 S HN 0.437 nan 8.310 nan 0.000 0.517 -105 K N -0.319 120.100 120.400 0.032 0.000 3.407 -105 K HA -0.116 4.203 4.320 -0.001 0.000 0.312 -105 K C -0.256 176.359 176.600 0.025 0.000 1.302 -105 K CA 0.751 57.059 56.287 0.035 0.000 0.931 -105 K CB -2.720 29.790 32.500 0.016 0.000 1.257 -105 K HN 0.461 nan 8.250 nan 0.000 0.454 -104 V N 2.038 121.960 119.914 0.014 0.000 2.673 -104 V HA -0.031 4.088 4.120 -0.001 0.000 0.303 -104 V C 1.045 177.194 176.094 0.093 0.000 1.046 -104 V CA -0.152 62.136 62.300 -0.019 0.000 1.126 -104 V CB 0.954 32.686 31.823 -0.152 0.000 0.934 -104 V HN 0.212 nan 8.190 nan 0.000 0.487 -103 N N 4.614 123.326 118.700 0.021 0.000 2.448 -103 N HA 0.177 4.917 4.740 -0.001 0.000 0.250 -103 N C -0.841 174.661 175.510 -0.013 0.000 1.136 -103 N CA -0.234 52.813 53.050 -0.006 0.000 0.953 -103 N CB -0.164 38.294 38.487 -0.050 0.000 1.251 -103 N HN 0.586 nan 8.380 nan 0.000 0.502 -102 Y N 0.488 120.698 120.300 -0.150 0.000 2.549 -102 Y HA 0.893 5.442 4.550 -0.002 0.000 0.339 -102 Y C 0.255 175.925 175.900 -0.383 0.000 1.053 -102 Y CA -1.508 56.466 58.100 -0.209 0.000 1.105 -102 Y CB 0.886 39.357 38.460 0.018 0.000 1.258 -102 Y HN 0.244 nan 8.280 nan 0.000 0.478 -101 G N 0.584 108.979 108.800 -0.676 0.000 2.533 -101 G HA2 0.603 4.562 3.960 -0.001 0.000 0.304 -101 G HA3 0.603 4.562 3.960 -0.001 0.000 0.304 -101 G C -2.109 172.628 174.900 -0.271 0.000 1.263 -101 G CA -1.186 43.529 45.100 -0.642 0.000 0.964 -101 G HN 0.685 nan 8.290 nan 0.000 0.479 -100 V N 0.413 120.245 119.914 -0.138 0.000 2.444 -100 V HA 0.738 4.857 4.120 -0.001 0.000 0.294 -100 V C 0.194 176.321 176.094 0.056 0.000 1.022 -100 V CA -0.433 61.857 62.300 -0.016 0.000 0.850 -100 V CB 1.182 32.909 31.823 -0.161 0.000 0.992 -100 V HN 0.937 nan 8.190 nan 0.000 0.426 -99 T N 2.723 117.343 114.554 0.111 0.000 2.716 -99 T HA 0.545 4.894 4.350 -0.001 0.000 0.286 -99 T C -0.854 173.848 174.700 0.004 0.000 1.052 -99 T CA -0.307 61.826 62.100 0.055 0.000 1.024 -99 T CB 2.000 70.895 68.868 0.044 0.000 1.349 -99 T HN 0.548 nan 8.240 nan 0.000 0.525 -98 V N 2.978 122.874 119.914 -0.030 0.000 2.740 -98 V HA 0.420 4.539 4.120 -0.001 0.000 0.303 -98 V C 0.205 176.256 176.094 -0.072 0.000 1.054 -98 V CA -0.198 62.079 62.300 -0.039 0.000 1.106 -98 V CB -0.003 31.797 31.823 -0.038 0.000 0.957 -98 V HN 0.752 nan 8.190 nan 0.000 0.486 -97 L N 7.938 129.124 121.223 -0.061 0.000 2.483 -97 L HA 0.244 4.584 4.340 -0.001 0.000 0.275 -97 L C -1.887 174.904 176.870 -0.131 0.000 1.220 -97 L CA -1.195 53.584 54.840 -0.101 0.000 0.833 -97 L CB 0.048 42.092 42.059 -0.025 0.000 1.102 -97 L HN 0.573 nan 8.230 nan 0.000 0.490 -96 P HA 0.073 nan 4.420 nan 0.000 0.272 -96 P C -0.649 176.647 177.300 -0.006 0.000 1.230 -96 P CA -0.461 62.472 63.100 -0.279 0.000 0.788 -96 P CB 0.405 31.694 31.700 -0.685 0.000 0.949 -95 T N -1.275 113.306 114.554 0.046 0.000 2.904 -95 T HA 0.523 4.873 4.350 -0.001 0.000 0.290 -95 T C -0.748 174.131 174.700 0.298 0.000 1.018 -95 T CA -0.375 61.806 62.100 0.135 0.000 1.075 -95 T CB 0.190 69.076 68.868 0.030 0.000 0.986 -95 T HN 0.201 nan 8.240 nan 0.000 0.523 -94 F N 1.806 121.789 119.950 0.055 0.000 2.518 -94 F HA 0.489 5.016 4.527 -0.001 0.000 0.323 -94 F C 0.521 176.258 175.800 -0.105 0.000 1.129 -94 F CA -1.347 56.608 58.000 -0.075 0.000 0.920 -94 F CB 1.254 40.113 39.000 -0.236 0.000 1.160 -94 F HN 0.898 nan 8.300 nan 0.000 0.440 -93 K N 4.534 124.441 120.400 -0.822 0.000 3.035 -93 K HA -0.206 4.114 4.320 -0.001 0.000 0.262 -93 K C 0.928 177.358 176.600 -0.284 0.000 1.024 -93 K CA 0.890 56.811 56.287 -0.610 0.000 0.748 -93 K CB -1.631 30.405 32.500 -0.774 0.000 1.247 -93 K HN 1.401 nan 8.250 nan 0.000 0.482 -92 G N -0.859 107.835 108.800 -0.177 0.000 2.179 -92 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.260 -92 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.260 -92 G C -0.187 174.674 174.900 -0.064 0.000 0.977 -92 G CA 0.507 45.548 45.100 -0.099 0.000 0.641 -92 G HN 0.277 nan 8.290 nan 0.000 0.533 -91 Q N 0.937 120.701 119.800 -0.060 0.000 2.256 -91 Q HA 0.479 4.818 4.340 -0.001 0.000 0.257 -91 Q C -2.401 173.610 176.000 0.018 0.000 0.936 -91 Q CA -2.317 53.471 55.803 -0.026 0.000 0.903 -91 Q CB 1.840 30.558 28.738 -0.034 0.000 1.263 -91 Q HN 0.271 nan 8.270 nan 0.000 0.440 -90 P HA -0.015 nan 4.420 nan 0.000 0.266 -90 P C -0.339 176.990 177.300 0.047 0.000 1.195 -90 P CA 0.175 63.291 63.100 0.027 0.000 0.768 -90 P CB 0.553 32.257 31.700 0.008 0.000 0.838 -89 S N 2.237 117.987 115.700 0.083 0.000 2.560 -89 S HA 0.075 4.544 4.470 -0.001 0.000 0.284 -89 S C 0.506 175.118 174.600 0.020 0.000 1.327 -89 S CA -0.034 58.215 58.200 0.083 0.000 1.055 -89 S CB -0.043 63.264 63.200 0.178 0.000 0.868 -89 S HN 0.292 nan 8.310 nan 0.000 0.506 -88 K N 3.340 123.720 120.400 -0.034 0.000 2.562 -88 K HA 0.267 4.586 4.320 -0.001 0.000 0.206 -88 K C -2.693 173.915 176.600 0.012 0.000 1.033 -88 K CA -1.811 54.458 56.287 -0.030 0.000 1.029 -88 K CB 1.131 33.582 32.500 -0.082 0.000 1.393 -88 K HN 0.377 nan 8.250 nan 0.000 0.539 -87 P HA 0.011 nan 4.420 nan 0.000 0.271 -87 P C -0.487 176.998 177.300 0.307 0.000 1.218 -87 P CA -0.278 62.910 63.100 0.146 0.000 0.780 -87 P CB 0.457 32.197 31.700 0.066 0.000 0.901 -86 F N 2.083 122.255 119.950 0.370 0.000 2.472 -86 F HA 0.101 4.628 4.527 -0.001 0.000 0.364 -86 F C 0.450 176.462 175.800 0.352 0.000 1.090 -86 F CA -0.562 57.665 58.000 0.379 0.000 1.188 -86 F CB 0.303 39.560 39.000 0.427 0.000 1.105 -86 F HN -0.029 nan 8.300 nan 0.000 0.536 -85 V N 4.522 124.779 119.914 0.572 0.000 2.407 -85 V HA 0.594 4.714 4.120 -0.001 0.000 0.278 -85 V C 0.527 176.891 176.094 0.449 0.000 1.037 -85 V CA -0.666 61.886 62.300 0.419 0.000 0.900 -85 V CB 1.091 33.095 31.823 0.302 0.000 0.983 -85 V HN 0.850 nan 8.190 nan 0.000 0.459 -84 G N 3.226 112.271 108.800 0.408 0.000 2.388 -84 G HA2 0.575 4.534 3.960 -0.001 0.000 0.330 -84 G HA3 0.575 4.534 3.960 -0.001 0.000 0.330 -84 G C -1.001 174.082 174.900 0.306 0.000 1.142 -84 G CA -0.479 44.854 45.100 0.389 0.000 0.908 -84 G HN 0.534 nan 8.290 nan 0.000 0.473 -83 V N 3.489 123.622 119.914 0.364 0.000 2.318 -83 V HA 0.176 4.295 4.120 -0.001 0.000 0.271 -83 V C 0.281 176.448 176.094 0.122 0.000 1.030 -83 V CA -0.749 61.617 62.300 0.110 0.000 0.844 -83 V CB 0.865 32.599 31.823 -0.148 0.000 1.015 -83 V HN 0.708 nan 8.190 nan 0.000 0.460 -82 L N 5.985 127.251 121.223 0.071 0.000 2.559 -82 L HA 0.283 4.622 4.340 -0.001 0.000 0.274 -82 L C 0.334 177.228 176.870 0.039 0.000 1.205 -82 L CA 1.386 56.262 54.840 0.060 0.000 0.907 -82 L CB 0.379 42.480 42.059 0.070 0.000 1.153 -82 L HN 0.707 nan 8.230 nan 0.000 0.490 -81 S N 3.194 118.902 115.700 0.013 0.000 2.627 -81 S HA 0.909 5.379 4.470 -0.001 0.000 0.283 -81 S C -0.905 173.491 174.600 -0.340 0.000 1.127 -81 S CA -0.321 57.753 58.200 -0.210 0.000 0.863 -81 S CB 1.857 64.787 63.200 -0.450 0.000 1.121 -81 S HN 0.939 nan 8.310 nan 0.000 0.479 -80 A N 1.058 123.586 122.820 -0.487 0.000 2.311 -80 A HA 0.788 5.108 4.320 -0.001 0.000 0.306 -80 A C 0.125 177.538 177.584 -0.286 0.000 1.189 -80 A CA -0.569 51.069 52.037 -0.665 0.000 0.791 -80 A CB 0.573 18.924 19.000 -1.083 0.000 1.172 -80 A HN 0.906 nan 8.150 nan 0.000 0.481 -79 G N 1.062 109.817 108.800 -0.074 0.000 2.434 -79 G HA2 0.591 4.551 3.960 -0.001 0.000 0.330 -79 G HA3 0.591 4.551 3.960 -0.001 0.000 0.330 -79 G C -0.561 174.369 174.900 0.049 0.000 1.155 -79 G CA -0.659 44.509 45.100 0.113 0.000 0.917 -79 G HN 0.685 nan 8.290 nan 0.000 0.493 -78 I N 1.489 122.105 120.570 0.077 0.000 2.336 -78 I HA 0.124 4.294 4.170 -0.001 0.000 0.292 -78 I C 0.044 176.199 176.117 0.063 0.000 0.991 -78 I CA -0.958 60.370 61.300 0.047 0.000 1.227 -78 I CB 1.540 39.585 38.000 0.074 0.000 1.366 -78 I HN 0.324 nan 8.210 nan 0.000 0.466 -77 N N 4.736 123.457 118.700 0.036 0.000 2.411 -77 N HA 0.010 4.749 4.740 -0.001 0.000 0.265 -77 N C 0.903 176.454 175.510 0.068 0.000 1.266 -77 N CA 0.353 53.472 53.050 0.115 0.000 0.889 -77 N CB 1.400 39.931 38.487 0.073 0.000 1.069 -77 N HN 0.782 nan 8.380 nan 0.000 0.476 -76 A N 4.000 126.863 122.820 0.073 0.000 2.076 -76 A HA -0.073 4.246 4.320 -0.001 0.000 0.220 -76 A C 1.848 179.433 177.584 0.002 0.000 1.160 -76 A CA 1.753 53.810 52.037 0.033 0.000 0.653 -76 A CB -0.535 18.481 19.000 0.026 0.000 0.801 -76 A HN 0.761 nan 8.150 nan 0.000 0.455 -75 A N -0.775 122.035 122.820 -0.017 0.000 2.208 -75 A HA 0.311 4.630 4.320 -0.001 0.000 0.209 -75 A C 1.371 178.937 177.584 -0.031 0.000 1.161 -75 A CA 0.714 52.728 52.037 -0.037 0.000 0.782 -75 A CB -0.448 18.510 19.000 -0.070 0.000 0.816 -75 A HN 0.430 nan 8.150 nan 0.000 0.477 -74 S N 1.093 116.780 115.700 -0.021 0.000 2.531 -74 S HA 0.315 4.785 4.470 -0.001 0.000 0.279 -74 S C -1.393 173.199 174.600 -0.014 0.000 1.305 -74 S CA -1.062 57.123 58.200 -0.024 0.000 1.058 -74 S CB 0.784 63.969 63.200 -0.024 0.000 0.899 -74 S HN 0.302 nan 8.310 nan 0.000 0.493 -73 P HA 0.168 nan 4.420 nan 0.000 0.253 -73 P C -0.373 176.925 177.300 -0.002 0.000 1.260 -73 P CA 0.120 63.215 63.100 -0.009 0.000 0.800 -73 P CB -0.023 31.671 31.700 -0.012 0.000 1.162 -72 N N 0.298 118.996 118.700 -0.004 0.000 2.401 -72 N HA 0.123 4.863 4.740 -0.001 0.000 0.264 -72 N C 0.982 176.499 175.510 0.012 0.000 1.238 -72 N CA -0.214 52.838 53.050 0.004 0.000 0.889 -72 N CB 0.565 39.048 38.487 -0.007 0.000 1.196 -72 N HN 0.184 nan 8.380 nan 0.000 0.511 -71 K N 0.659 121.070 120.400 0.017 0.000 2.097 -71 K HA -0.149 4.171 4.320 -0.001 0.000 0.206 -71 K C 1.638 178.262 176.600 0.040 0.000 1.049 -71 K CA 1.129 57.433 56.287 0.029 0.000 0.933 -71 K CB 0.292 32.810 32.500 0.031 0.000 0.717 -71 K HN 0.039 nan 8.250 nan 0.000 0.442 -70 E N 1.382 121.605 120.200 0.039 0.000 2.072 -70 E HA -0.104 4.245 4.350 -0.001 0.000 0.191 -70 E C 1.798 178.437 176.600 0.065 0.000 0.985 -70 E CA 1.040 57.469 56.400 0.049 0.000 0.801 -70 E CB -0.168 29.559 29.700 0.044 0.000 0.750 -70 E HN 0.172 nan 8.360 nan 0.000 0.452 -69 L N -0.115 121.153 121.223 0.075 0.000 2.046 -69 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 -69 L C 2.489 179.393 176.870 0.056 0.000 1.077 -69 L CA 1.172 56.085 54.840 0.122 0.000 0.747 -69 L CB -0.608 41.528 42.059 0.127 0.000 0.896 -69 L HN 0.218 nan 8.230 nan 0.000 0.432 -68 A N 0.147 122.975 122.820 0.013 0.000 1.877 -68 A HA -0.269 4.050 4.320 -0.001 0.000 0.216 -68 A C 2.402 179.980 177.584 -0.009 0.000 1.186 -68 A CA 2.047 54.077 52.037 -0.012 0.000 0.620 -68 A CB -0.500 18.499 19.000 -0.002 0.000 0.822 -68 A HN 0.346 nan 8.150 nan 0.000 0.443 -67 K N -0.143 120.260 120.400 0.006 0.000 2.032 -67 K HA -0.239 4.081 4.320 -0.001 0.000 0.209 -67 K C 1.913 178.444 176.600 -0.115 0.000 1.048 -67 K CA 1.949 58.212 56.287 -0.040 0.000 0.927 -67 K CB -0.241 32.285 32.500 0.044 0.000 0.712 -67 K HN 0.621 nan 8.250 nan 0.000 0.441 -66 E N -0.378 119.822 120.200 0.000 0.000 2.077 -66 E HA -0.200 4.150 4.350 -0.001 0.000 0.193 -66 E C 1.830 178.473 176.600 0.071 0.000 0.989 -66 E CA 1.456 57.902 56.400 0.076 0.000 0.800 -66 E CB -0.219 29.606 29.700 0.208 0.000 0.746 -66 E HN 0.367 nan 8.360 nan 0.000 0.452 -65 F N 1.198 120.983 119.950 -0.276 0.000 2.102 -65 F HA -0.175 4.352 4.527 0.000 0.000 0.298 -65 F C 1.827 177.482 175.800 -0.242 0.000 1.105 -65 F CA 1.255 58.923 58.000 -0.553 0.000 1.239 -65 F CB -0.009 38.398 39.000 -0.989 0.000 0.991 -65 F HN -0.086 nan 8.300 nan 0.000 0.474 -64 L N 0.079 121.120 121.223 -0.303 0.000 2.027 -64 L HA -0.173 4.166 4.340 -0.001 0.000 0.206 -64 L C 2.438 179.022 176.870 -0.476 0.000 1.074 -64 L CA 1.710 56.275 54.840 -0.460 0.000 0.745 -64 L CB -0.809 40.887 42.059 -0.606 0.000 0.898 -64 L HN 0.147 nan 8.230 nan 0.000 0.433 -63 E N 0.016 119.898 120.200 -0.530 0.000 2.072 -63 E HA -0.133 4.217 4.350 -0.001 0.000 0.191 -63 E C 1.545 178.081 176.600 -0.106 0.000 0.985 -63 E CA 1.071 57.174 56.400 -0.495 0.000 0.801 -63 E CB 0.022 29.264 29.700 -0.763 0.000 0.750 -63 E HN 0.536 nan 8.360 nan 0.000 0.452 -62 N N -1.082 117.581 118.700 -0.061 0.000 2.282 -62 N HA 0.018 4.757 4.740 -0.001 0.000 0.185 -62 N C 0.729 176.155 175.510 -0.140 0.000 1.099 -62 N CA 0.461 53.509 53.050 -0.003 0.000 0.878 -62 N CB 0.511 39.059 38.487 0.101 0.000 0.993 -62 N HN 0.166 nan 8.380 nan 0.000 0.481 -61 Y N 0.263 120.426 120.300 -0.229 0.000 2.697 -61 Y HA 0.180 4.733 4.550 0.005 0.000 0.268 -61 Y C 1.933 177.614 175.900 -0.365 0.000 1.092 -61 Y CA -0.211 57.722 58.100 -0.279 0.000 1.304 -61 Y CB -0.372 37.887 38.460 -0.336 0.000 1.446 -61 Y HN -0.152 nan 8.280 nan 0.000 0.491 -60 L N 0.347 121.312 121.223 -0.430 0.000 2.007 -60 L HA 0.013 4.352 4.340 -0.001 0.000 0.205 -60 L C 0.918 177.715 176.870 -0.123 0.000 1.073 -60 L CA 1.847 56.507 54.840 -0.300 0.000 0.744 -60 L CB -0.795 41.076 42.059 -0.314 0.000 0.898 -60 L HN 0.137 nan 8.230 nan 0.000 0.435 -59 L N 1.245 122.425 121.223 -0.072 0.000 2.803 -59 L HA 0.134 4.474 4.340 -0.001 0.000 0.241 -59 L C 0.085 176.970 176.870 0.024 0.000 1.404 -59 L CA -0.036 54.828 54.840 0.039 0.000 1.211 -59 L CB -1.419 40.767 42.059 0.211 0.000 1.585 -59 L HN 0.438 nan 8.230 nan 0.000 0.430 -58 T N -6.715 107.807 114.554 -0.054 0.000 2.907 -58 T HA 0.305 4.654 4.350 -0.001 0.000 0.290 -58 T C 0.665 175.276 174.700 -0.148 0.000 1.066 -58 T CA -0.878 61.170 62.100 -0.085 0.000 1.012 -58 T CB 1.950 70.746 68.868 -0.120 0.000 1.184 -58 T HN -0.060 nan 8.240 nan 0.000 0.522 -57 D N 0.522 120.822 120.400 -0.167 0.000 2.104 -57 D HA -0.097 4.543 4.640 -0.001 0.000 0.194 -57 D C 1.870 177.921 176.300 -0.415 0.000 0.994 -57 D CA 1.597 55.408 54.000 -0.315 0.000 0.830 -57 D CB -0.053 40.640 40.800 -0.178 0.000 0.959 -57 D HN 0.776 nan 8.370 nan 0.000 0.452 -56 E N 0.035 120.092 120.200 -0.239 0.000 2.072 -56 E HA -0.074 4.276 4.350 -0.001 0.000 0.191 -56 E C 2.207 178.709 176.600 -0.164 0.000 0.985 -56 E CA 1.014 57.304 56.400 -0.183 0.000 0.801 -56 E CB -0.238 29.391 29.700 -0.119 0.000 0.750 -56 E HN 0.290 nan 8.360 nan 0.000 0.452 -55 G N 1.359 110.070 108.800 -0.149 0.000 2.433 -55 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.216 -55 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.216 -55 G C 1.587 176.428 174.900 -0.099 0.000 1.186 -55 G CA 0.480 45.520 45.100 -0.101 0.000 0.779 -55 G HN 0.072 nan 8.290 nan 0.000 0.543 -54 L N 0.196 121.331 121.223 -0.147 0.000 2.083 -54 L HA -0.047 4.292 4.340 -0.001 0.000 0.209 -54 L C 2.759 179.566 176.870 -0.104 0.000 1.083 -54 L CA 1.452 56.243 54.840 -0.082 0.000 0.752 -54 L CB -0.388 41.679 42.059 0.014 0.000 0.899 -54 L HN 0.375 nan 8.230 nan 0.000 0.433 -53 E N 0.555 120.530 120.200 -0.375 0.000 2.077 -53 E HA -0.245 4.105 4.350 -0.001 0.000 0.193 -53 E C 2.252 178.837 176.600 -0.025 0.000 0.989 -53 E CA 1.164 57.448 56.400 -0.193 0.000 0.800 -53 E CB 0.018 29.543 29.700 -0.291 0.000 0.746 -53 E HN 0.441 nan 8.360 nan 0.000 0.452 -52 A N 0.591 123.383 122.820 -0.046 0.000 1.892 -52 A HA -0.193 4.126 4.320 -0.001 0.000 0.218 -52 A C 2.403 179.995 177.584 0.014 0.000 1.188 -52 A CA 1.861 53.897 52.037 -0.002 0.000 0.631 -52 A CB -0.807 18.197 19.000 0.006 0.000 0.822 -52 A HN 0.238 nan 8.150 nan 0.000 0.447 -51 V N 0.337 120.260 119.914 0.016 0.000 2.307 -51 V HA -0.239 3.881 4.120 -0.001 0.000 0.245 -51 V C 2.373 178.495 176.094 0.046 0.000 1.045 -51 V CA 2.275 64.586 62.300 0.019 0.000 1.024 -51 V CB -1.183 30.650 31.823 0.017 0.000 0.651 -51 V HN 0.715 nan 8.190 nan 0.000 0.449 -50 N N 0.265 119.025 118.700 0.100 0.000 2.149 -50 N HA -0.192 4.548 4.740 -0.001 0.000 0.188 -50 N C 1.788 177.369 175.510 0.119 0.000 1.019 -50 N CA 1.418 54.554 53.050 0.142 0.000 0.857 -50 N CB -0.187 38.459 38.487 0.266 0.000 0.997 -50 N HN 0.418 nan 8.380 nan 0.000 0.426 -49 K N -0.292 120.168 120.400 0.101 0.000 2.147 -49 K HA -0.160 4.160 4.320 -0.001 0.000 0.205 -49 K C 1.284 177.915 176.600 0.052 0.000 1.049 -49 K CA 1.327 57.662 56.287 0.080 0.000 0.936 -49 K CB -0.130 32.406 32.500 0.060 0.000 0.722 -49 K HN 0.313 nan 8.250 nan 0.000 0.446 -48 D N 0.529 120.942 120.400 0.022 0.000 2.087 -48 D HA -0.053 4.587 4.640 -0.001 0.000 0.201 -48 D C -0.069 176.226 176.300 -0.008 0.000 0.980 -48 D CA 1.335 55.322 54.000 -0.022 0.000 0.849 -48 D CB 0.407 41.160 40.800 -0.077 0.000 1.001 -48 D HN -0.175 nan 8.370 nan 0.000 0.452 -47 K N 0.451 120.853 120.400 0.004 0.000 2.471 -47 K HA 0.403 4.722 4.320 -0.001 0.000 0.252 -47 K C -2.644 173.989 176.600 0.054 0.000 0.938 -47 K CA -2.214 54.096 56.287 0.039 0.000 0.796 -47 K CB 1.861 34.385 32.500 0.041 0.000 1.161 -47 K HN -0.018 nan 8.250 nan 0.000 0.425 -46 P HA 0.061 nan 4.420 nan 0.000 0.262 -46 P C 0.652 177.936 177.300 -0.027 0.000 1.182 -46 P CA 0.117 63.225 63.100 0.015 0.000 0.761 -46 P CB 0.531 32.209 31.700 -0.037 0.000 0.795 -45 L N 2.108 123.350 121.223 0.033 0.000 2.313 -45 L HA 0.124 4.463 4.340 -0.001 0.000 0.214 -45 L C 1.533 178.417 176.870 0.023 0.000 1.119 -45 L CA 1.211 56.086 54.840 0.059 0.000 0.809 -45 L CB -0.802 41.319 42.059 0.102 0.000 0.933 -45 L HN 0.748 nan 8.230 nan 0.000 0.449 -44 G N -0.312 108.456 108.800 -0.053 0.000 2.466 -44 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.218 -44 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.218 -44 G C -0.351 174.572 174.900 0.038 0.000 1.237 -44 G CA -0.393 44.686 45.100 -0.034 0.000 0.954 -44 G HN 0.374 nan 8.290 nan 0.000 0.580 -43 A N 0.336 123.193 122.820 0.061 0.000 2.310 -43 A HA 0.708 5.027 4.320 -0.001 0.000 0.300 -43 A C 0.884 178.517 177.584 0.081 0.000 1.269 -43 A CA 0.546 52.621 52.037 0.064 0.000 0.909 -43 A CB -0.093 18.951 19.000 0.073 0.000 1.144 -43 A HN 2.277 nan 8.150 nan 0.000 0.540 -42 V N 0.746 120.706 119.914 0.076 0.000 2.881 -42 V HA 0.549 4.669 4.120 -0.001 0.000 0.303 -42 V C 1.290 177.464 176.094 0.133 0.000 1.070 -42 V CA 0.145 62.506 62.300 0.102 0.000 1.074 -42 V CB 0.608 32.518 31.823 0.144 0.000 1.012 -42 V HN 1.107 nan 8.190 nan 0.000 0.482 -41 A N 3.058 125.904 122.820 0.044 0.000 1.969 -41 A HA 0.067 4.386 4.320 -0.001 0.000 0.218 -41 A C 1.231 178.753 177.584 -0.103 0.000 1.169 -41 A CA 0.896 52.911 52.037 -0.037 0.000 0.635 -41 A CB -0.552 18.306 19.000 -0.238 0.000 0.810 -41 A HN 0.985 nan 8.150 nan 0.000 0.445 -40 L N 0.845 122.030 121.223 -0.064 0.000 2.433 -40 L HA 0.146 4.486 4.340 -0.001 0.000 0.275 -40 L C 1.046 177.846 176.870 -0.117 0.000 1.128 -40 L CA 0.297 55.067 54.840 -0.116 0.000 0.875 -40 L CB 0.362 42.416 42.059 -0.008 0.000 1.171 -40 L HN 0.280 nan 8.230 nan 0.000 0.463 -39 K N 1.625 121.820 120.400 -0.341 0.000 2.057 -39 K HA -0.165 4.154 4.320 -0.001 0.000 0.207 -39 K C 2.027 178.595 176.600 -0.053 0.000 1.049 -39 K CA 1.646 57.730 56.287 -0.339 0.000 0.931 -39 K CB -0.210 32.004 32.500 -0.477 0.000 0.714 -39 K HN 0.881 nan 8.250 nan 0.000 0.440 -38 S N 0.563 116.240 115.700 -0.040 0.000 2.370 -38 S HA -0.239 4.230 4.470 -0.001 0.000 0.226 -38 S C 2.073 176.750 174.600 0.127 0.000 1.033 -38 S CA 1.167 59.386 58.200 0.031 0.000 1.011 -38 S CB -0.630 62.576 63.200 0.010 0.000 0.852 -38 S HN 0.357 nan 8.310 nan 0.000 0.457 -37 Y N 2.444 122.738 120.300 -0.009 0.000 2.286 -37 Y HA 0.161 4.712 4.550 0.002 0.000 0.293 -37 Y C 2.431 178.365 175.900 0.056 0.000 1.124 -37 Y CA 1.192 59.304 58.100 0.020 0.000 1.178 -37 Y CB -0.673 37.795 38.460 0.013 0.000 1.010 -37 Y HN 0.348 nan 8.280 nan 0.000 0.536 -36 E N 0.821 121.043 120.200 0.037 0.000 2.153 -36 E HA -0.203 4.146 4.350 -0.001 0.000 0.194 -36 E C 1.791 178.405 176.600 0.023 0.000 0.988 -36 E CA 1.790 58.201 56.400 0.018 0.000 0.811 -36 E CB -0.229 29.616 29.700 0.242 0.000 0.746 -36 E HN 0.612 nan 8.360 nan 0.000 0.466 -35 E N -0.228 120.010 120.200 0.063 0.000 2.153 -35 E HA -0.176 4.174 4.350 -0.001 0.000 0.194 -35 E C 1.809 178.421 176.600 0.020 0.000 0.988 -35 E CA 1.167 57.600 56.400 0.057 0.000 0.811 -35 E CB 0.027 29.767 29.700 0.068 0.000 0.746 -35 E HN 0.301 nan 8.360 nan 0.000 0.466 -34 E N 0.375 120.574 120.200 -0.002 0.000 2.112 -34 E HA -0.072 4.278 4.350 -0.001 0.000 0.190 -34 E C 2.243 178.796 176.600 -0.078 0.000 0.979 -34 E CA 0.521 56.913 56.400 -0.014 0.000 0.814 -34 E CB -0.055 29.675 29.700 0.051 0.000 0.762 -34 E HN 0.322 nan 8.360 nan 0.000 0.460 -33 L N 0.676 121.784 121.223 -0.192 0.000 2.156 -33 L HA -0.038 4.302 4.340 -0.001 0.000 0.208 -33 L C 2.496 179.332 176.870 -0.057 0.000 1.095 -33 L CA 0.809 55.547 54.840 -0.170 0.000 0.770 -33 L CB -0.587 41.297 42.059 -0.292 0.000 0.914 -33 L HN 0.032 nan 8.230 nan 0.000 0.439 -32 A N 0.543 123.342 122.820 -0.035 0.000 2.032 -32 A HA -0.243 4.076 4.320 -0.001 0.000 0.221 -32 A C 2.256 179.836 177.584 -0.008 0.000 1.165 -32 A CA 1.713 53.747 52.037 -0.006 0.000 0.645 -32 A CB -0.373 18.632 19.000 0.008 0.000 0.807 -32 A HN 0.353 nan 8.150 nan 0.000 0.453 -31 K N -0.071 120.321 120.400 -0.013 0.000 2.283 -31 K HA -0.087 4.233 4.320 -0.001 0.000 0.202 -31 K C 0.290 176.876 176.600 -0.024 0.000 1.048 -31 K CA 0.644 56.923 56.287 -0.014 0.000 0.948 -31 K CB -0.057 32.437 32.500 -0.010 0.000 0.742 -31 K HN 0.464 nan 8.250 nan 0.000 0.458 -30 D N 1.063 121.450 120.400 -0.023 0.000 2.371 -30 D HA 0.002 4.641 4.640 -0.001 0.000 0.256 -30 D C -1.608 174.655 176.300 -0.062 0.000 1.193 -30 D CA -2.250 51.725 54.000 -0.041 0.000 0.881 -30 D CB 1.248 42.042 40.800 -0.011 0.000 1.143 -30 D HN -0.083 nan 8.370 nan 0.000 0.473 -29 P HA -0.143 nan 4.420 nan 0.000 0.219 -29 P C 1.041 178.258 177.300 -0.138 0.000 1.146 -29 P CA 0.927 63.964 63.100 -0.106 0.000 0.808 -29 P CB 0.365 31.991 31.700 -0.125 0.000 0.779 -28 R N -0.777 119.578 120.500 -0.241 0.000 2.115 -28 R HA 0.011 4.350 4.340 -0.001 0.000 0.226 -28 R C 2.315 178.603 176.300 -0.019 0.000 1.100 -28 R CA 0.831 56.699 56.100 -0.386 0.000 0.980 -28 R CB -0.479 29.155 30.300 -1.111 0.000 0.875 -28 R HN 0.177 nan 8.270 nan 0.000 0.445 -27 I N 0.597 121.217 120.570 0.084 0.000 2.439 -27 I HA -0.110 4.060 4.170 -0.001 0.000 0.251 -27 I C 2.399 178.568 176.117 0.087 0.000 1.139 -27 I CA 0.930 62.338 61.300 0.180 0.000 1.438 -27 I CB -1.194 36.883 38.000 0.127 0.000 1.085 -27 I HN 0.118 nan 8.210 nan 0.000 0.427 -26 A N 1.192 124.029 122.820 0.028 0.000 1.877 -26 A HA -0.118 4.201 4.320 -0.001 0.000 0.216 -26 A C 2.600 180.194 177.584 0.016 0.000 1.186 -26 A CA 1.962 54.003 52.037 0.008 0.000 0.620 -26 A CB -0.755 18.236 19.000 -0.015 0.000 0.822 -26 A HN 0.384 nan 8.150 nan 0.000 0.443 -25 A N -0.955 121.875 122.820 0.017 0.000 1.902 -25 A HA -0.097 4.223 4.320 -0.001 0.000 0.217 -25 A C 2.302 179.924 177.584 0.063 0.000 1.181 -25 A CA 2.351 54.405 52.037 0.027 0.000 0.623 -25 A CB -1.354 17.656 19.000 0.016 0.000 0.818 -25 A HN 0.442 nan 8.150 nan 0.000 0.443 -24 T N 0.146 114.772 114.554 0.119 0.000 2.684 -24 T HA -0.204 4.146 4.350 -0.001 0.000 0.267 -24 T C 1.930 176.674 174.700 0.073 0.000 1.036 -24 T CA 1.997 64.175 62.100 0.129 0.000 1.148 -24 T CB -0.335 68.649 68.868 0.194 0.000 0.863 -24 T HN 0.462 nan 8.240 nan 0.000 0.436 -23 M N 0.672 120.304 119.600 0.053 0.000 2.159 -23 M HA -0.083 4.396 4.480 -0.001 0.000 0.263 -23 M C 2.440 178.739 176.300 -0.001 0.000 1.063 -23 M CA 1.447 56.755 55.300 0.014 0.000 1.110 -23 M CB -0.288 32.309 32.600 -0.006 0.000 1.374 -23 M HN 0.320 nan 8.290 nan 0.000 0.411 -22 E N 0.551 120.754 120.200 0.004 0.000 2.077 -22 E HA -0.217 4.133 4.350 -0.001 0.000 0.193 -22 E C 1.702 178.304 176.600 0.003 0.000 0.989 -22 E CA 1.262 57.659 56.400 -0.005 0.000 0.800 -22 E CB 0.050 29.746 29.700 -0.006 0.000 0.746 -22 E HN 0.454 nan 8.360 nan 0.000 0.452 -21 N N 0.483 119.193 118.700 0.018 0.000 2.120 -21 N HA -0.140 4.600 4.740 -0.001 0.000 0.188 -21 N C 1.747 177.278 175.510 0.036 0.000 1.024 -21 N CA 1.303 54.367 53.050 0.025 0.000 0.852 -21 N CB -0.366 38.139 38.487 0.031 0.000 1.003 -21 N HN 0.285 nan 8.380 nan 0.000 0.424 -20 A N 1.390 124.235 122.820 0.041 0.000 1.877 -20 A HA -0.186 4.134 4.320 -0.001 0.000 0.216 -20 A C 2.139 179.735 177.584 0.020 0.000 1.186 -20 A CA 1.363 53.431 52.037 0.051 0.000 0.620 -20 A CB -0.677 18.348 19.000 0.042 0.000 0.822 -20 A HN 0.357 nan 8.150 nan 0.000 0.443 -19 Q N -0.734 119.058 119.800 -0.013 0.000 2.170 -19 Q HA -0.159 4.181 4.340 -0.001 0.000 0.203 -19 Q C 1.802 177.795 176.000 -0.011 0.000 0.976 -19 Q CA 1.678 57.460 55.803 -0.034 0.000 0.858 -19 Q CB -0.139 28.571 28.738 -0.046 0.000 0.907 -19 Q HN 0.622 nan 8.270 nan 0.000 0.433 -18 K N -0.287 120.116 120.400 0.005 0.000 2.418 -18 K HA 0.036 4.355 4.320 -0.001 0.000 0.195 -18 K C 0.885 177.502 176.600 0.028 0.000 1.035 -18 K CA 0.416 56.709 56.287 0.010 0.000 1.003 -18 K CB 0.420 32.925 32.500 0.008 0.000 0.793 -18 K HN 0.172 nan 8.250 nan 0.000 0.494 -17 G N 0.094 108.926 108.800 0.052 0.000 2.695 -17 G HA2 0.303 4.262 3.960 -0.001 0.000 0.213 -17 G HA3 0.303 4.262 3.960 -0.001 0.000 0.213 -17 G C -0.973 174.000 174.900 0.121 0.000 1.406 -17 G CA -0.364 44.792 45.100 0.092 0.000 1.049 -17 G HN 0.035 nan 8.290 nan 0.000 0.573 -16 E N -1.111 119.221 120.200 0.221 0.000 2.331 -16 E HA 0.321 4.671 4.350 -0.001 0.000 0.275 -16 E C -0.769 176.086 176.600 0.424 0.000 0.895 -16 E CA -0.571 55.997 56.400 0.281 0.000 0.753 -16 E CB 2.714 32.609 29.700 0.324 0.000 1.216 -16 E HN 0.264 nan 8.360 nan 0.000 0.434 -15 I N 3.268 124.021 120.570 0.305 0.000 2.648 -15 I HA 0.044 4.214 4.170 -0.001 0.000 0.284 -15 I C 0.733 177.058 176.117 0.347 0.000 1.153 -15 I CA 0.301 61.790 61.300 0.316 0.000 1.426 -15 I CB 0.393 38.511 38.000 0.196 0.000 1.381 -15 I HN 0.444 nan 8.210 nan 0.000 0.571 -14 M N 7.501 127.263 119.600 0.270 0.000 2.248 -14 M HA 0.162 4.642 4.480 -0.001 0.000 0.337 -14 M C -2.129 174.156 176.300 -0.025 0.000 1.121 -14 M CA -1.188 53.967 55.300 -0.241 0.000 1.155 -14 M CB 0.014 32.330 32.600 -0.474 0.000 1.514 -14 M HN 0.240 nan 8.290 nan 0.000 0.452 -13 P HA 0.031 nan 4.420 nan 0.000 0.270 -13 P C -0.445 176.750 177.300 -0.175 0.000 1.223 -13 P CA -0.051 62.856 63.100 -0.320 0.000 0.785 -13 P CB 0.363 31.530 31.700 -0.889 0.000 0.923 -12 N N 1.175 119.872 118.700 -0.006 0.000 2.203 -12 N HA 0.035 4.775 4.740 -0.001 0.000 0.207 -12 N C 0.348 175.844 175.510 -0.024 0.000 1.130 -12 N CA -0.223 52.836 53.050 0.015 0.000 0.861 -12 N CB -0.807 37.800 38.487 0.199 0.000 1.005 -12 N HN 0.400 nan 8.380 nan 0.000 0.507 -11 I N -2.386 118.143 120.570 -0.067 0.000 2.813 -11 I HA 0.227 4.396 4.170 -0.001 0.000 0.287 -11 I C -1.507 174.546 176.117 -0.108 0.000 1.196 -11 I CA -1.466 59.813 61.300 -0.035 0.000 1.421 -11 I CB 0.341 38.253 38.000 -0.147 0.000 1.365 -11 I HN -0.291 nan 8.210 nan 0.000 0.591 -10 P HA -0.196 nan 4.420 nan 0.000 0.217 -10 P C 1.124 178.383 177.300 -0.068 0.000 1.148 -10 P CA 1.498 64.545 63.100 -0.087 0.000 0.834 -10 P CB 0.028 31.713 31.700 -0.025 0.000 0.783 -9 Q N -2.054 117.688 119.800 -0.097 0.000 2.437 -9 Q HA -0.045 4.294 4.340 -0.001 0.000 0.210 -9 Q C 1.909 177.966 176.000 0.094 0.000 0.972 -9 Q CA 0.982 56.763 55.803 -0.036 0.000 0.903 -9 Q CB -0.721 27.895 28.738 -0.204 0.000 0.967 -9 Q HN 0.224 nan 8.270 nan 0.000 0.486 -8 M N -0.304 119.308 119.600 0.020 0.000 2.159 -8 M HA -0.141 4.338 4.480 -0.001 0.000 0.263 -8 M C 2.112 178.556 176.300 0.239 0.000 1.063 -8 M CA 1.842 57.200 55.300 0.098 0.000 1.110 -8 M CB -1.170 31.419 32.600 -0.019 0.000 1.374 -8 M HN 0.350 nan 8.290 nan 0.000 0.411 -7 S N 0.378 116.184 115.700 0.177 0.000 2.387 -7 S HA -0.006 4.464 4.470 -0.001 0.000 0.226 -7 S C 2.150 176.895 174.600 0.241 0.000 1.026 -7 S CA 1.050 59.383 58.200 0.222 0.000 0.972 -7 S CB -0.639 62.610 63.200 0.082 0.000 0.814 -7 S HN 0.409 nan 8.310 nan 0.000 0.477 -6 A N 1.577 124.510 122.820 0.188 0.000 1.908 -6 A HA -0.001 4.319 4.320 -0.001 0.000 0.218 -6 A C 1.992 179.725 177.584 0.247 0.000 1.181 -6 A CA 1.652 53.807 52.037 0.198 0.000 0.627 -6 A CB -1.225 17.871 19.000 0.160 0.000 0.818 -6 A HN 0.674 nan 8.150 nan 0.000 0.445 -5 F N -1.007 119.005 119.950 0.103 0.000 2.095 -5 F HA -0.197 4.329 4.527 -0.001 0.000 0.298 -5 F C 2.040 177.826 175.800 -0.023 0.000 1.104 -5 F CA 1.800 59.767 58.000 -0.054 0.000 1.232 -5 F CB -0.552 38.300 39.000 -0.247 0.000 0.987 -5 F HN 0.394 nan 8.300 nan 0.000 0.475 -4 W N -1.177 120.053 121.300 -0.117 0.000 2.381 -4 W HA -0.190 4.470 4.660 -0.001 0.000 0.301 -4 W C 2.480 178.915 176.519 -0.140 0.000 1.205 -4 W CA 1.160 58.361 57.345 -0.239 0.000 1.285 -4 W CB -0.806 28.668 29.460 0.022 0.000 1.133 -4 W HN 0.197 nan 8.180 nan 0.000 0.521 -3 Y N 1.057 121.438 120.300 0.135 0.000 2.165 -3 Y HA -0.273 4.277 4.550 -0.001 0.000 0.286 -3 Y C 2.299 178.208 175.900 0.014 0.000 1.155 -3 Y CA 2.263 60.405 58.100 0.069 0.000 1.164 -3 Y CB -0.727 37.768 38.460 0.059 0.000 0.978 -3 Y HN -0.088 nan 8.280 nan 0.000 0.513 -2 A N -0.712 122.150 122.820 0.070 0.000 1.898 -2 A HA -0.135 4.185 4.320 -0.001 0.000 0.216 -2 A C 2.272 179.767 177.584 -0.149 0.000 1.181 -2 A CA 1.950 53.970 52.037 -0.030 0.000 0.620 -2 A CB -1.239 17.777 19.000 0.026 0.000 0.819 -2 A HN 0.335 nan 8.150 nan 0.000 0.442 -1 V N 0.009 119.777 119.914 -0.244 0.000 2.548 -1 V HA -0.197 3.923 4.120 -0.001 0.000 0.249 -1 V C 2.580 178.648 176.094 -0.043 0.000 1.055 -1 V CA 2.024 64.221 62.300 -0.172 0.000 1.065 -1 V CB -0.837 30.780 31.823 -0.343 0.000 0.681 -1 V HN 0.674 nan 8.190 nan 0.000 0.462 0 R N 0.300 120.766 120.500 -0.056 0.000 2.070 0 R HA -0.181 4.158 4.340 -0.001 0.000 0.233 0 R C 2.380 178.605 176.300 -0.125 0.000 1.137 0 R CA 2.302 58.372 56.100 -0.050 0.000 0.945 0 R CB -0.632 29.615 30.300 -0.089 0.000 0.845 0 R HN 0.506 nan 8.270 nan 0.000 0.430 1 T N 0.898 115.292 114.554 -0.267 0.000 2.665 1 T HA -0.184 4.166 4.350 -0.001 0.000 0.268 1 T C 1.881 176.516 174.700 -0.108 0.000 1.035 1 T CA 1.575 63.534 62.100 -0.234 0.000 1.151 1 T CB -0.467 68.204 68.868 -0.329 0.000 0.862 1 T HN 0.506 nan 8.240 nan 0.000 0.438 2 A N 0.884 123.656 122.820 -0.080 0.000 1.883 2 A HA -0.087 4.232 4.320 -0.001 0.000 0.217 2 A C 2.629 180.203 177.584 -0.017 0.000 1.186 2 A CA 1.706 53.723 52.037 -0.034 0.000 0.624 2 A CB -1.080 17.909 19.000 -0.018 0.000 0.822 2 A HN 0.365 nan 8.150 nan 0.000 0.444 3 V N 0.013 119.927 119.914 0.000 0.000 2.323 3 V HA -0.227 3.892 4.120 -0.001 0.000 0.244 3 V C 2.427 178.519 176.094 -0.002 0.000 1.041 3 V CA 1.857 64.168 62.300 0.018 0.000 1.025 3 V CB -0.652 31.213 31.823 0.069 0.000 0.656 3 V HN 0.563 nan 8.190 nan 0.000 0.451 4 I N 0.659 121.221 120.570 -0.013 0.000 2.163 4 I HA -0.263 3.906 4.170 -0.001 0.000 0.243 4 I C 2.345 178.446 176.117 -0.027 0.000 1.085 4 I CA 1.662 62.947 61.300 -0.025 0.000 1.347 4 I CB -0.477 37.502 38.000 -0.035 0.000 1.044 4 I HN 0.372 nan 8.210 nan 0.000 0.408 5 N N 0.982 119.664 118.700 -0.030 0.000 2.142 5 N HA -0.101 4.639 4.740 -0.001 0.000 0.186 5 N C 1.853 177.351 175.510 -0.020 0.000 1.023 5 N CA 1.603 54.638 53.050 -0.024 0.000 0.852 5 N CB -0.445 38.028 38.487 -0.024 0.000 0.998 5 N HN 0.346 nan 8.380 nan 0.000 0.424 6 A N 0.667 123.476 122.820 -0.018 0.000 1.898 6 A HA 0.120 4.439 4.320 -0.001 0.000 0.216 6 A C 2.283 179.852 177.584 -0.024 0.000 1.181 6 A CA 1.721 53.747 52.037 -0.018 0.000 0.620 6 A CB -0.858 18.132 19.000 -0.016 0.000 0.819 6 A HN 0.294 nan 8.150 nan 0.000 0.442 7 A N 0.323 123.127 122.820 -0.026 0.000 1.933 7 A HA -0.074 4.245 4.320 -0.001 0.000 0.218 7 A C 2.344 179.907 177.584 -0.035 0.000 1.175 7 A CA 2.172 54.188 52.037 -0.035 0.000 0.628 7 A CB -0.782 18.194 19.000 -0.039 0.000 0.814 7 A HN 1.008 nan 8.150 nan 0.000 0.444 8 S N -2.111 113.571 115.700 -0.030 0.000 2.593 8 S HA 0.383 4.852 4.470 -0.001 0.000 0.217 8 S C 1.414 176.000 174.600 -0.023 0.000 0.966 8 S CA 1.010 59.193 58.200 -0.027 0.000 0.914 8 S CB -0.227 62.959 63.200 -0.024 0.000 0.776 8 S HN 1.894 nan 8.310 nan 0.000 0.523 9 G N 1.737 110.523 108.800 -0.022 0.000 2.184 9 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.264 9 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.264 9 G C 0.883 175.775 174.900 -0.014 0.000 0.975 9 G CA 0.489 45.578 45.100 -0.018 0.000 0.642 9 G HN 0.522 nan 8.290 nan 0.000 0.536 10 R N -0.279 120.212 120.500 -0.013 0.000 2.105 10 R HA 0.018 4.358 4.340 -0.001 0.000 0.239 10 R C 1.376 177.672 176.300 -0.007 0.000 1.135 10 R CA 1.922 58.016 56.100 -0.010 0.000 0.967 10 R CB -0.023 30.271 30.300 -0.010 0.000 0.861 10 R HN 0.627 nan 8.270 nan 0.000 0.442 11 Q N -1.022 118.774 119.800 -0.008 0.000 2.423 11 Q HA 0.212 4.551 4.340 -0.001 0.000 0.278 11 Q C -0.817 175.180 176.000 -0.006 0.000 1.097 11 Q CA -0.686 55.114 55.803 -0.005 0.000 0.809 11 Q CB 2.311 31.047 28.738 -0.003 0.000 1.391 11 Q HN 0.148 nan 8.270 nan 0.000 0.428 12 T N -2.440 112.112 114.554 -0.002 0.000 2.802 12 T HA 0.104 4.453 4.350 -0.001 0.000 0.305 12 T C 1.374 176.072 174.700 -0.002 0.000 1.053 12 T CA -0.613 61.485 62.100 -0.002 0.000 1.058 12 T CB 0.519 69.388 68.868 0.002 0.000 0.988 12 T HN 0.333 nan 8.240 nan 0.000 0.539 13 V N 1.348 121.261 119.914 -0.003 0.000 2.324 13 V HA -0.185 3.935 4.120 -0.001 0.000 0.250 13 V C 2.551 178.646 176.094 0.002 0.000 1.060 13 V CA 2.259 64.558 62.300 -0.003 0.000 1.042 13 V CB -0.903 30.918 31.823 -0.003 0.000 0.650 13 V HN 0.879 nan 8.190 nan 0.000 0.450 14 D N -0.155 120.248 120.400 0.006 0.000 2.084 14 D HA -0.156 4.483 4.640 -0.001 0.000 0.194 14 D C 2.268 178.574 176.300 0.010 0.000 0.990 14 D CA 1.502 55.508 54.000 0.010 0.000 0.826 14 D CB -0.255 40.553 40.800 0.013 0.000 0.971 14 D HN 0.575 nan 8.370 nan 0.000 0.453 15 E N 0.586 120.791 120.200 0.009 0.000 2.058 15 E HA -0.174 4.176 4.350 -0.001 0.000 0.194 15 E C 2.076 178.681 176.600 0.009 0.000 0.997 15 E CA 1.222 57.628 56.400 0.010 0.000 0.801 15 E CB -0.110 29.595 29.700 0.008 0.000 0.746 15 E HN 0.214 nan 8.360 nan 0.000 0.450 16 A N 0.980 123.802 122.820 0.004 0.000 1.902 16 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 16 A C 2.183 179.768 177.584 0.002 0.000 1.181 16 A CA 1.087 53.123 52.037 -0.000 0.000 0.623 16 A CB -0.512 18.484 19.000 -0.006 0.000 0.818 16 A HN 0.130 nan 8.150 nan 0.000 0.443 17 L N -0.996 120.229 121.223 0.004 0.000 2.179 17 L HA -0.085 4.254 4.340 -0.001 0.000 0.208 17 L C 2.533 179.408 176.870 0.009 0.000 1.096 17 L CA 1.428 56.271 54.840 0.005 0.000 0.779 17 L CB -0.359 41.701 42.059 0.002 0.000 0.922 17 L HN 0.450 nan 8.230 nan 0.000 0.443 18 K N 0.537 120.945 120.400 0.013 0.000 2.032 18 K HA -0.223 4.096 4.320 -0.001 0.000 0.209 18 K C 1.619 178.234 176.600 0.026 0.000 1.048 18 K CA 2.000 58.299 56.287 0.020 0.000 0.927 18 K CB 0.029 32.543 32.500 0.022 0.000 0.712 18 K HN 0.169 nan 8.250 nan 0.000 0.441 19 D N 0.180 120.594 120.400 0.024 0.000 2.144 19 D HA -0.129 4.510 4.640 -0.001 0.000 0.199 19 D C 1.739 178.060 176.300 0.035 0.000 0.984 19 D CA 1.369 55.388 54.000 0.031 0.000 0.834 19 D CB -0.227 40.590 40.800 0.028 0.000 0.955 19 D HN 0.385 nan 8.370 nan 0.000 0.465 20 A N 0.481 123.313 122.820 0.021 0.000 1.930 20 A HA -0.219 4.100 4.320 -0.001 0.000 0.217 20 A C 2.147 179.747 177.584 0.027 0.000 1.175 20 A CA 1.769 53.814 52.037 0.014 0.000 0.627 20 A CB -0.628 18.364 19.000 -0.013 0.000 0.815 20 A HN 0.169 nan 8.150 nan 0.000 0.443 21 Q N -0.241 119.574 119.800 0.024 0.000 2.061 21 Q HA -0.150 4.190 4.340 -0.001 0.000 0.204 21 Q C 2.004 178.035 176.000 0.052 0.000 0.984 21 Q CA 2.710 58.529 55.803 0.026 0.000 0.846 21 Q CB -0.829 27.919 28.738 0.016 0.000 0.902 21 Q HN 0.557 nan 8.270 nan 0.000 0.421 22 T N 0.957 115.544 114.554 0.055 0.000 2.759 22 T HA -0.118 4.232 4.350 -0.001 0.000 0.269 22 T C 1.323 176.072 174.700 0.082 0.000 1.042 22 T CA 1.476 63.616 62.100 0.067 0.000 1.140 22 T CB -0.266 68.637 68.868 0.059 0.000 0.864 22 T HN 0.358 nan 8.240 nan 0.000 0.455 23 N N 1.168 119.919 118.700 0.086 0.000 2.305 23 N HA 0.161 4.900 4.740 -0.001 0.000 0.179 23 N C 2.114 177.703 175.510 0.132 0.000 1.019 23 N CA 0.998 54.113 53.050 0.108 0.000 0.869 23 N CB -0.611 37.955 38.487 0.130 0.000 1.000 23 N HN 0.385 nan 8.380 nan 0.000 0.431 24 A N 0.631 123.528 122.820 0.127 0.000 2.070 24 A HA 0.094 4.414 4.320 -0.001 0.000 0.220 24 A C 1.984 179.710 177.584 0.236 0.000 1.159 24 A CA 1.746 53.889 52.037 0.178 0.000 0.656 24 A CB -0.353 18.726 19.000 0.132 0.000 0.800 24 A HN 0.309 nan 8.150 nan 0.000 0.453 25 A N -1.640 121.289 122.820 0.181 0.000 2.303 25 A HA 0.697 5.016 4.320 -0.001 0.000 0.217 25 A C 1.194 178.881 177.584 0.170 0.000 1.205 25 A CA 0.758 52.918 52.037 0.205 0.000 0.875 25 A CB -0.339 18.758 19.000 0.163 0.000 0.910 25 A HN 0.812 nan 8.150 nan 0.000 0.501 32 M N 6.155 125.593 119.600 -0.269 0.000 2.246 32 M HA 0.435 4.914 4.480 -0.001 0.000 0.350 32 M C 0.246 176.447 176.300 -0.165 0.000 1.406 32 M CA 1.110 56.280 55.300 -0.216 0.000 1.089 32 M CB 0.995 33.429 32.600 -0.276 0.000 1.782 32 M HN 0.955 nan 8.290 nan 0.000 0.457 33 T N 2.917 117.420 114.554 -0.084 0.000 2.874 33 T HA 0.199 4.548 4.350 -0.001 0.000 0.281 33 T C 0.976 175.660 174.700 -0.026 0.000 0.994 33 T CA -0.421 61.648 62.100 -0.052 0.000 1.015 33 T CB 1.029 69.877 68.868 -0.032 0.000 1.028 33 T HN 0.950 nan 8.240 nan 0.000 0.523 34 K N 1.101 121.493 120.400 -0.013 0.000 2.063 34 K HA -0.176 4.144 4.320 -0.001 0.000 0.208 34 K C 1.798 178.416 176.600 0.031 0.000 1.048 34 K CA 2.033 58.324 56.287 0.008 0.000 0.928 34 K CB -0.163 32.340 32.500 0.005 0.000 0.713 34 K HN 0.604 nan 8.250 nan 0.000 0.442 35 E N 0.884 121.100 120.200 0.027 0.000 2.085 35 E HA -0.216 4.134 4.350 -0.001 0.000 0.194 35 E C 1.845 178.497 176.600 0.087 0.000 0.994 35 E CA 1.697 58.126 56.400 0.048 0.000 0.801 35 E CB -0.068 29.648 29.700 0.025 0.000 0.743 35 E HN 0.454 nan 8.360 nan 0.000 0.453 36 E N 0.038 120.272 120.200 0.057 0.000 2.038 36 E HA -0.310 4.039 4.350 -0.001 0.000 0.195 36 E C 2.079 178.761 176.600 0.138 0.000 1.000 36 E CA 1.524 57.969 56.400 0.076 0.000 0.803 36 E CB -0.054 29.659 29.700 0.022 0.000 0.750 36 E HN 0.069 nan 8.360 nan 0.000 0.448 37 Q N 0.625 120.486 119.800 0.101 0.000 2.135 37 Q HA -0.153 4.186 4.340 -0.001 0.000 0.204 37 Q C 1.927 178.012 176.000 0.142 0.000 0.981 37 Q CA 1.734 57.609 55.803 0.119 0.000 0.856 37 Q CB -0.271 28.511 28.738 0.074 0.000 0.902 37 Q HN 0.478 nan 8.270 nan 0.000 0.425 38 I N -0.710 119.938 120.570 0.129 0.000 2.315 38 I HA -0.192 3.977 4.170 -0.001 0.000 0.248 38 I C 1.793 177.995 176.117 0.141 0.000 1.117 38 I CA 0.738 62.109 61.300 0.119 0.000 1.404 38 I CB -0.230 37.820 38.000 0.084 0.000 1.071 38 I HN 0.205 nan 8.210 nan 0.000 0.419 39 F N 1.143 121.127 119.950 0.058 0.000 2.134 39 F HA -0.207 4.320 4.527 -0.001 0.000 0.299 39 F C 2.252 178.092 175.800 0.066 0.000 1.097 39 F CA 1.578 59.623 58.000 0.076 0.000 1.264 39 F CB -0.073 38.957 39.000 0.049 0.000 1.001 39 F HN -0.107 nan 8.300 nan 0.000 0.479 40 L N -0.532 120.840 121.223 0.248 0.000 2.083 40 L HA -0.257 4.082 4.340 -0.001 0.000 0.209 40 L C 2.423 179.264 176.870 -0.048 0.000 1.083 40 L CA 1.142 56.059 54.840 0.129 0.000 0.752 40 L CB -0.733 41.444 42.059 0.197 0.000 0.899 40 L HN 0.223 nan 8.230 nan 0.000 0.433 41 L N -0.993 120.265 121.223 0.059 0.000 2.046 41 L HA -0.276 4.064 4.340 -0.001 0.000 0.208 41 L C 2.713 179.554 176.870 -0.047 0.000 1.077 41 L CA 1.226 56.122 54.840 0.094 0.000 0.747 41 L CB -0.645 41.563 42.059 0.248 0.000 0.896 41 L HN 0.386 nan 8.230 nan 0.000 0.432 42 H N -0.021 118.923 119.070 -0.210 0.000 2.421 42 H HA -0.188 4.367 4.556 -0.001 0.000 0.298 42 H C 2.432 177.488 175.328 -0.455 0.000 1.087 42 H CA 1.420 57.251 56.048 -0.362 0.000 1.330 42 H CB 0.285 29.759 29.762 -0.480 0.000 1.388 42 H HN 0.231 nan 8.280 nan 0.000 0.526 43 R N 0.298 120.472 120.500 -0.543 0.000 2.066 43 R HA -0.070 4.270 4.340 -0.001 0.000 0.232 43 R C 2.498 178.494 176.300 -0.508 0.000 1.131 43 R CA 1.104 56.902 56.100 -0.503 0.000 0.955 43 R CB -0.264 29.880 30.300 -0.260 0.000 0.851 43 R HN 0.327 nan 8.270 nan 0.000 0.432 44 A N 0.753 123.227 122.820 -0.577 0.000 1.933 44 A HA -0.229 4.091 4.320 -0.001 0.000 0.218 44 A C 2.066 179.195 177.584 -0.759 0.000 1.175 44 A CA 1.442 53.103 52.037 -0.627 0.000 0.628 44 A CB -0.544 17.849 19.000 -1.012 0.000 0.814 44 A HN 0.530 nan 8.150 nan 0.000 0.444 45 Q N -0.559 118.569 119.800 -1.120 0.000 2.050 45 Q HA -0.135 4.205 4.340 -0.001 0.000 0.202 45 Q C 2.254 177.721 176.000 -0.889 0.000 0.980 45 Q CA 1.562 56.384 55.803 -1.636 0.000 0.840 45 Q CB -0.336 27.559 28.738 -1.404 0.000 0.898 45 Q HN 0.605 nan 8.270 nan 0.000 0.424 46 A N 0.717 123.130 122.820 -0.679 0.000 1.902 46 A HA -0.277 4.043 4.320 -0.001 0.000 0.217 46 A C 1.971 179.349 177.584 -0.344 0.000 1.181 46 A CA 1.762 53.515 52.037 -0.474 0.000 0.623 46 A CB -0.790 17.909 19.000 -0.502 0.000 0.818 46 A HN 0.596 nan 8.150 nan 0.000 0.443 47 Q N -1.058 118.538 119.800 -0.340 0.000 2.135 47 Q HA -0.219 4.120 4.340 -0.001 0.000 0.204 47 Q C 2.191 178.090 176.000 -0.169 0.000 0.981 47 Q CA 1.797 57.469 55.803 -0.219 0.000 0.856 47 Q CB -0.404 28.214 28.738 -0.200 0.000 0.902 47 Q HN 0.731 nan 8.270 nan 0.000 0.425 48 c N 0.574 119.037 118.600 -0.229 0.000 2.446 48 c HA -0.067 4.502 4.570 -0.001 0.000 0.277 48 c C 2.235 176.275 174.090 -0.083 0.000 1.275 48 c CA 1.000 57.268 56.329 -0.102 0.000 1.727 48 c CB -0.674 41.809 42.510 -0.045 0.000 2.010 48 c HN 0.575 nan 8.230 nan 0.000 0.486 49 E N 0.250 120.350 120.200 -0.168 0.000 2.072 49 E HA -0.174 4.176 4.350 -0.001 0.000 0.191 49 E C 2.227 178.785 176.600 -0.070 0.000 0.985 49 E CA 1.055 57.390 56.400 -0.108 0.000 0.801 49 E CB -0.099 29.511 29.700 -0.150 0.000 0.750 49 E HN 0.639 nan 8.360 nan 0.000 0.452 50 K N 0.522 120.868 120.400 -0.090 0.000 2.152 50 K HA -0.164 4.155 4.320 -0.001 0.000 0.206 50 K C 2.209 178.791 176.600 -0.030 0.000 1.048 50 K CA 0.811 57.062 56.287 -0.060 0.000 0.933 50 K CB -0.116 32.340 32.500 -0.074 0.000 0.721 50 K HN -0.008 nan 8.250 nan 0.000 0.447 51 R N 1.159 121.646 120.500 -0.023 0.000 2.073 51 R HA -0.024 4.315 4.340 -0.001 0.000 0.229 51 R C 2.254 178.571 176.300 0.029 0.000 1.120 51 R CA 0.851 56.957 56.100 0.010 0.000 0.967 51 R CB -0.094 30.221 30.300 0.026 0.000 0.862 51 R HN 0.108 nan 8.270 nan 0.000 0.436 52 L N 0.508 121.751 121.223 0.034 0.000 2.141 52 L HA -0.131 4.209 4.340 -0.001 0.000 0.209 52 L C 2.322 179.213 176.870 0.034 0.000 1.094 52 L CA 1.171 56.042 54.840 0.051 0.000 0.763 52 L CB -0.485 41.612 42.059 0.064 0.000 0.908 52 L HN 0.141 nan 8.230 nan 0.000 0.437 53 K N 0.741 121.150 120.400 0.014 0.000 2.020 53 K HA -0.246 4.073 4.320 -0.001 0.000 0.212 53 K C 2.086 178.695 176.600 0.014 0.000 1.050 53 K CA 2.279 58.571 56.287 0.009 0.000 0.929 53 K CB -0.204 32.294 32.500 -0.004 0.000 0.714 53 K HN 0.546 nan 8.250 nan 0.000 0.443 54 E N 0.641 120.849 120.200 0.014 0.000 2.112 54 E HA -0.104 4.246 4.350 -0.001 0.000 0.190 54 E C 1.993 178.606 176.600 0.023 0.000 0.979 54 E CA 1.076 57.485 56.400 0.015 0.000 0.814 54 E CB -0.188 29.519 29.700 0.012 0.000 0.762 54 E HN 0.029 nan 8.360 nan 0.000 0.460 55 V N 1.741 121.674 119.914 0.032 0.000 2.358 55 V HA -0.091 4.029 4.120 -0.001 0.000 0.246 55 V C 1.710 177.827 176.094 0.038 0.000 1.047 55 V CA 1.219 63.543 62.300 0.040 0.000 1.035 55 V CB -0.569 31.290 31.823 0.059 0.000 0.658 55 V HN 0.169 nan 8.190 nan 0.000 0.452 103 Y N 4.957 125.245 120.300 -0.020 0.000 2.770 103 Y HA 0.039 4.589 4.550 -0.001 0.000 0.342 103 Y C 0.001 175.885 175.900 -0.026 0.000 1.221 103 Y CA 1.671 59.757 58.100 -0.023 0.000 1.560 103 Y CB 0.075 38.522 38.460 -0.021 0.000 1.213 103 Y HN 0.346 nan 8.280 nan 0.000 0.525 104 R N 2.671 122.832 120.500 -0.565 0.000 3.531 104 R HA -0.180 4.159 4.340 -0.001 0.000 0.280 104 R C 0.799 176.974 176.300 -0.209 0.000 1.130 104 R CA 0.748 56.581 56.100 -0.445 0.000 0.757 104 R CB -1.941 28.044 30.300 -0.525 0.000 1.218 104 R HN 0.922 nan 8.270 nan 0.000 0.454 105 G N 0.177 108.893 108.800 -0.139 0.000 3.393 105 G HA2 0.111 4.071 3.960 -0.001 0.000 0.255 105 G HA3 0.111 4.071 3.960 -0.001 0.000 0.255 105 G C 0.174 175.026 174.900 -0.079 0.000 1.097 105 G CA -0.312 44.739 45.100 -0.082 0.000 0.780 105 G HN 0.105 nan 8.290 nan 0.000 0.540 106 R N 1.326 121.762 120.500 -0.106 0.000 2.435 106 R HA 0.433 4.773 4.340 -0.001 0.000 0.308 106 R C -2.672 173.546 176.300 -0.136 0.000 0.975 106 R CA -1.666 54.374 56.100 -0.100 0.000 0.867 106 R CB 2.428 32.675 30.300 -0.088 0.000 1.171 106 R HN -0.015 nan 8.270 nan 0.000 0.470 107 P HA 0.162 nan 4.420 nan 0.000 0.276 107 P C -0.483 176.668 177.300 -0.249 0.000 1.252 107 P CA -0.487 62.508 63.100 -0.174 0.000 0.802 107 P CB 0.815 32.449 31.700 -0.110 0.000 1.035 108 c N 1.193 119.530 118.600 -0.438 0.000 2.605 108 c HA 0.295 4.864 4.570 -0.001 0.000 0.404 108 c C 1.075 174.956 174.090 -0.348 0.000 1.284 108 c CA -0.346 55.560 56.329 -0.705 0.000 2.199 108 c CB -1.006 40.430 42.510 -1.790 0.000 2.647 108 c HN 0.403 nan 8.230 nan 0.000 0.604 109 L N 5.512 126.671 121.223 -0.107 0.000 2.375 109 L HA 0.336 4.675 4.340 -0.001 0.000 0.271 109 L C -1.766 175.361 176.870 0.428 0.000 1.107 109 L CA -1.378 53.552 54.840 0.150 0.000 0.806 109 L CB 0.484 42.625 42.059 0.136 0.000 1.146 109 L HN 0.434 nan 8.230 nan 0.000 0.447 110 P HA 0.059 nan 4.420 nan 0.000 0.268 110 P C -1.261 176.255 177.300 0.360 0.000 1.205 110 P CA -0.001 63.338 63.100 0.398 0.000 0.771 110 P CB 0.572 32.429 31.700 0.262 0.000 0.858 111 E N 1.501 121.918 120.200 0.362 0.000 2.430 111 E HA 0.347 4.696 4.350 -0.001 0.000 0.279 111 E C -1.332 175.471 176.600 0.339 0.000 1.003 111 E CA -1.005 55.567 56.400 0.288 0.000 0.801 111 E CB 1.451 31.274 29.700 0.205 0.000 1.313 111 E HN 0.461 nan 8.360 nan 0.000 0.459 112 W N 3.514 124.855 121.300 0.070 0.000 2.361 112 W HA 0.187 4.847 4.660 -0.001 0.000 0.309 112 W C -0.733 175.762 176.519 -0.040 0.000 1.122 112 W CA -0.289 57.069 57.345 0.022 0.000 1.208 112 W CB 1.382 30.815 29.460 -0.044 0.000 1.246 112 W HN 0.819 nan 8.180 nan 0.000 0.490 113 D N 3.533 123.571 120.400 -0.604 0.000 2.462 113 D HA 0.006 4.645 4.640 -0.001 0.000 0.221 113 D C 0.717 176.623 176.300 -0.657 0.000 1.173 113 D CA -0.027 53.689 54.000 -0.473 0.000 0.831 113 D CB -0.472 40.301 40.800 -0.044 0.000 1.001 113 D HN 0.615 nan 8.370 nan 0.000 0.499 114 H N -1.074 117.328 119.070 -1.114 0.000 3.844 114 H HA -0.153 4.403 4.556 -0.001 0.000 0.156 114 H C 0.763 175.762 175.328 -0.548 0.000 0.843 114 H CA 1.365 57.065 56.048 -0.581 0.000 1.249 114 H CB -1.544 28.130 29.762 -0.147 0.000 0.886 114 H HN 0.357 nan 8.280 nan 0.000 0.444 115 I N -0.483 119.624 120.570 -0.771 0.000 4.193 115 I HA 0.185 4.355 4.170 -0.001 0.000 0.287 115 I C 0.485 176.399 176.117 -0.337 0.000 1.175 115 I CA 0.313 61.407 61.300 -0.343 0.000 1.320 115 I CB 1.224 39.131 38.000 -0.155 0.000 1.523 115 I HN -0.139 nan 8.210 nan 0.000 0.450 116 L N 0.404 121.296 121.223 -0.553 0.000 2.388 116 L HA 0.444 4.783 4.340 -0.001 0.000 0.264 116 L C -1.258 175.427 176.870 -0.309 0.000 0.998 116 L CA -0.731 53.930 54.840 -0.298 0.000 0.817 116 L CB 2.953 44.712 42.059 -0.500 0.000 1.338 116 L HN 0.145 nan 8.230 nan 0.000 0.414 117 c N 2.582 121.220 118.600 0.063 0.000 2.303 117 c HA 0.414 4.984 4.570 -0.001 0.000 0.341 117 c C -0.441 173.600 174.090 -0.081 0.000 1.244 117 c CA -0.754 55.688 56.329 0.189 0.000 1.765 117 c CB -0.708 41.983 42.510 0.301 0.000 2.379 117 c HN 0.637 nan 8.230 nan 0.000 0.530 118 W N 8.118 129.453 121.300 0.059 0.000 2.316 118 W HA 0.390 5.050 4.660 -0.001 0.000 0.311 118 W C -1.673 174.941 176.519 0.158 0.000 1.217 118 W CA -1.900 55.454 57.345 0.014 0.000 1.199 118 W CB 0.439 29.750 29.460 -0.248 0.000 1.202 118 W HN 0.580 nan 8.180 nan 0.000 0.528 119 P HA 0.175 nan 4.420 nan 0.000 0.293 119 P C -0.374 177.182 177.300 0.427 0.000 1.304 119 P CA -0.560 62.737 63.100 0.328 0.000 0.767 119 P CB 0.982 32.822 31.700 0.233 0.000 1.247 120 L N -0.276 121.110 121.223 0.272 0.000 2.559 120 L HA 0.135 4.475 4.340 -0.001 0.000 0.282 120 L C 1.212 178.190 176.870 0.180 0.000 1.232 120 L CA 0.464 55.418 54.840 0.190 0.000 0.885 120 L CB -0.492 41.627 42.059 0.100 0.000 1.131 120 L HN 0.507 nan 8.230 nan 0.000 0.498 121 G N 2.627 111.428 108.800 0.002 0.000 2.416 121 G HA2 0.576 4.536 3.960 -0.001 0.000 0.324 121 G HA3 0.576 4.536 3.960 -0.001 0.000 0.324 121 G C -0.359 174.450 174.900 -0.152 0.000 1.194 121 G CA -0.444 44.600 45.100 -0.092 0.000 0.922 121 G HN 0.838 nan 8.290 nan 0.000 0.467 122 A N 4.739 127.520 122.820 -0.066 0.000 2.488 122 A HA 0.585 4.904 4.320 -0.001 0.000 0.249 122 A C -1.803 175.700 177.584 -0.135 0.000 1.083 122 A CA -1.050 50.936 52.037 -0.085 0.000 0.768 122 A CB 0.053 19.029 19.000 -0.039 0.000 1.017 122 A HN 0.516 nan 8.150 nan 0.000 0.496 123 P HA 0.177 nan 4.420 nan 0.000 0.268 123 P C 0.916 178.115 177.300 -0.168 0.000 1.204 123 P CA 1.539 64.520 63.100 -0.198 0.000 0.768 123 P CB 0.782 32.347 31.700 -0.225 0.000 0.842 124 G N 1.822 110.533 108.800 -0.148 0.000 2.176 124 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.253 124 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.253 124 G C -0.117 174.740 174.900 -0.073 0.000 0.979 124 G CA -0.133 44.901 45.100 -0.111 0.000 0.641 124 G HN 0.599 nan 8.290 nan 0.000 0.530 125 E N -0.477 119.689 120.200 -0.057 0.000 2.244 125 E HA 0.575 4.925 4.350 -0.001 0.000 0.266 125 E C -0.115 176.509 176.600 0.039 0.000 0.914 125 E CA -1.040 55.353 56.400 -0.011 0.000 0.794 125 E CB 2.629 32.331 29.700 0.003 0.000 1.210 125 E HN 0.062 nan 8.360 nan 0.000 0.414 126 V N 2.036 121.987 119.914 0.061 0.000 2.614 126 V HA 0.086 4.205 4.120 -0.001 0.000 0.291 126 V C -0.061 176.170 176.094 0.228 0.000 1.049 126 V CA -0.274 62.109 62.300 0.138 0.000 1.038 126 V CB 1.188 33.069 31.823 0.097 0.000 0.980 126 V HN 0.369 nan 8.190 nan 0.000 0.481 127 V N 4.399 124.523 119.914 0.349 0.000 2.384 127 V HA 0.722 4.841 4.120 -0.001 0.000 0.287 127 V C 0.323 176.693 176.094 0.460 0.000 1.020 127 V CA -0.481 62.062 62.300 0.405 0.000 0.850 127 V CB 1.529 33.688 31.823 0.560 0.000 0.987 127 V HN 0.993 nan 8.190 nan 0.000 0.436 128 A N 5.102 128.114 122.820 0.321 0.000 2.304 128 A HA 0.866 5.185 4.320 -0.001 0.000 0.323 128 A C -0.796 176.843 177.584 0.092 0.000 1.195 128 A CA -0.499 51.630 52.037 0.153 0.000 0.826 128 A CB 1.377 20.414 19.000 0.062 0.000 1.184 128 A HN 0.655 nan 8.150 nan 0.000 0.496 129 V N 4.246 124.111 119.914 -0.082 0.000 2.540 129 V HA 0.386 4.506 4.120 -0.001 0.000 0.302 129 V C -2.452 173.496 176.094 -0.243 0.000 1.035 129 V CA -1.887 60.295 62.300 -0.195 0.000 0.873 129 V CB 1.927 33.417 31.823 -0.556 0.000 0.992 129 V HN 0.782 nan 8.190 nan 0.000 0.428 130 P HA 0.031 nan 4.420 nan 0.000 0.264 130 P C -0.298 176.796 177.300 -0.345 0.000 1.183 130 P CA -0.203 62.621 63.100 -0.461 0.000 0.763 130 P CB 0.134 31.665 31.700 -0.281 0.000 0.807 131 c N 6.918 125.315 118.600 -0.338 0.000 2.648 131 c HA 0.090 4.659 4.570 -0.001 0.000 0.406 131 c C -1.499 172.611 174.090 0.033 0.000 1.406 131 c CA -0.748 55.478 56.329 -0.172 0.000 1.610 131 c CB -1.160 41.199 42.510 -0.251 0.000 2.451 131 c HN 0.506 nan 8.230 nan 0.000 0.608 132 P HA 0.047 nan 4.420 nan 0.000 0.265 132 P C 0.301 177.458 177.300 -0.240 0.000 1.193 132 P CA 0.436 63.373 63.100 -0.271 0.000 0.765 132 P CB 0.697 31.928 31.700 -0.782 0.000 0.823 133 D N 2.089 122.304 120.400 -0.308 0.000 2.182 133 D HA -0.178 4.461 4.640 -0.001 0.000 0.201 133 D C 1.614 177.757 176.300 -0.262 0.000 0.986 133 D CA 1.696 55.407 54.000 -0.482 0.000 0.847 133 D CB -0.622 40.018 40.800 -0.267 0.000 0.942 133 D HN 0.622 nan 8.370 nan 0.000 0.467 134 Y N -0.746 119.547 120.300 -0.010 0.000 2.578 134 Y HA 0.177 4.726 4.550 -0.001 0.000 0.297 134 Y C 0.548 176.488 175.900 0.067 0.000 1.176 134 Y CA -0.282 57.841 58.100 0.038 0.000 1.315 134 Y CB -0.127 38.363 38.460 0.050 0.000 1.031 134 Y HN -0.207 nan 8.280 nan 0.000 0.524 135 I N 1.932 122.419 120.570 -0.139 0.000 2.287 135 I HA 0.000 4.170 4.170 -0.001 0.000 0.290 135 I C 0.924 177.088 176.117 0.078 0.000 1.069 135 I CA -1.085 60.119 61.300 -0.161 0.000 1.237 135 I CB -0.363 37.162 38.000 -0.792 0.000 1.418 135 I HN 0.285 nan 8.210 nan 0.000 0.481 136 Y N 6.062 126.384 120.300 0.036 0.000 2.151 136 Y HA -0.274 4.275 4.550 -0.001 0.000 0.284 136 Y C 1.785 177.742 175.900 0.096 0.000 1.166 136 Y CA 1.988 60.157 58.100 0.115 0.000 1.163 136 Y CB 0.277 38.781 38.460 0.074 0.000 0.974 136 Y HN 0.529 nan 8.280 nan 0.000 0.511 137 D N -0.447 120.060 120.400 0.179 0.000 2.363 137 D HA -0.062 4.577 4.640 -0.001 0.000 0.220 137 D C 0.083 176.468 176.300 0.142 0.000 0.994 137 D CA 0.355 54.449 54.000 0.156 0.000 0.890 137 D CB -0.210 40.697 40.800 0.179 0.000 0.906 137 D HN 0.092 nan 8.370 nan 0.000 0.530 138 F N 1.547 121.389 119.950 -0.180 0.000 2.450 138 F HA 0.084 4.610 4.527 -0.001 0.000 0.339 138 F C 1.281 176.771 175.800 -0.518 0.000 1.146 138 F CA -1.441 56.378 58.000 -0.301 0.000 1.267 138 F CB -0.055 38.788 39.000 -0.261 0.000 1.178 138 F HN -0.192 nan 8.300 nan 0.000 0.585 139 N N 1.261 119.891 118.700 -0.117 0.000 2.399 139 N HA 0.013 4.752 4.740 -0.001 0.000 0.259 139 N C 0.245 175.650 175.510 -0.175 0.000 1.160 139 N CA 0.235 53.246 53.050 -0.065 0.000 0.946 139 N CB -0.063 38.425 38.487 0.003 0.000 1.156 139 N HN 0.483 nan 8.380 nan 0.000 0.489 140 H N 1.891 120.986 119.070 0.041 0.000 2.551 140 H HA 0.125 4.680 4.556 -0.001 0.000 0.266 140 H C 0.731 176.010 175.328 -0.082 0.000 0.977 140 H CA 0.539 56.566 56.048 -0.036 0.000 1.163 140 H CB 0.615 30.353 29.762 -0.040 0.000 1.381 140 H HN 0.556 nan 8.280 nan 0.000 0.581 141 K N 0.469 120.890 120.400 0.035 0.000 2.404 141 K HA 0.100 4.420 4.320 -0.001 0.000 0.194 141 K C 1.089 177.650 176.600 -0.066 0.000 1.023 141 K CA 0.066 56.352 56.287 -0.002 0.000 1.094 141 K CB 0.883 33.416 32.500 0.056 0.000 0.841 141 K HN 0.173 nan 8.250 nan 0.000 0.523 142 G N 0.033 108.759 108.800 -0.124 0.000 2.522 142 G HA2 0.294 4.253 3.960 -0.001 0.000 0.304 142 G HA3 0.294 4.253 3.960 -0.001 0.000 0.304 142 G C -1.092 173.576 174.900 -0.387 0.000 1.210 142 G CA -0.435 44.577 45.100 -0.147 0.000 0.960 142 G HN 0.149 nan 8.290 nan 0.000 0.497 143 H N -1.420 117.498 119.070 -0.254 0.000 2.747 143 H HA 0.653 5.209 4.556 -0.001 0.000 0.371 143 H C 0.189 175.078 175.328 -0.733 0.000 1.161 143 H CA 0.069 55.819 56.048 -0.496 0.000 1.167 143 H CB 1.990 31.383 29.762 -0.615 0.000 1.732 143 H HN 0.734 nan 8.280 nan 0.000 0.544 144 A N 1.802 124.220 122.820 -0.671 0.000 2.306 144 A HA 0.674 4.993 4.320 -0.001 0.000 0.330 144 A C -1.439 175.818 177.584 -0.545 0.000 1.146 144 A CA -0.471 51.141 52.037 -0.708 0.000 0.827 144 A CB 0.413 18.796 19.000 -1.028 0.000 1.178 144 A HN 0.630 nan 8.150 nan 0.000 0.490 145 Y N -0.026 120.347 120.300 0.122 0.000 2.477 145 Y HA 0.668 5.217 4.550 -0.001 0.000 0.347 145 Y C 0.472 176.445 175.900 0.121 0.000 0.981 145 Y CA -0.600 57.664 58.100 0.272 0.000 1.033 145 Y CB 2.018 40.645 38.460 0.278 0.000 1.245 145 Y HN 0.734 nan 8.280 nan 0.000 0.455 146 R N 1.087 121.700 120.500 0.188 0.000 2.919 146 R HA 0.694 5.034 4.340 -0.001 0.000 0.260 146 R C -1.036 175.489 176.300 0.375 0.000 1.067 146 R CA -1.369 54.752 56.100 0.035 0.000 1.003 146 R CB 2.255 32.046 30.300 -0.847 0.000 1.192 146 R HN 0.679 nan 8.270 nan 0.000 0.488 147 R N 0.176 120.896 120.500 0.365 0.000 2.437 147 R HA 0.333 4.672 4.340 -0.001 0.000 0.310 147 R C -1.071 175.385 176.300 0.261 0.000 0.955 147 R CA -0.477 55.738 56.100 0.191 0.000 0.851 147 R CB 1.813 32.053 30.300 -0.099 0.000 1.161 147 R HN 0.440 nan 8.270 nan 0.000 0.446 148 c N 4.438 123.110 118.600 0.121 0.000 2.265 148 c HA 0.247 4.817 4.570 -0.001 0.000 0.332 148 c C 0.186 174.198 174.090 -0.130 0.000 1.248 148 c CA -0.730 55.521 56.329 -0.131 0.000 1.727 148 c CB -0.719 41.564 42.510 -0.379 0.000 2.348 148 c HN 0.887 nan 8.230 nan 0.000 0.519 149 D N 4.660 124.983 120.400 -0.128 0.000 2.371 149 D HA 0.108 4.747 4.640 -0.001 0.000 0.242 149 D C 1.090 177.303 176.300 -0.146 0.000 1.218 149 D CA -0.364 53.569 54.000 -0.112 0.000 0.945 149 D CB 0.638 41.393 40.800 -0.075 0.000 1.137 149 D HN 0.564 nan 8.370 nan 0.000 0.464 150 R N 0.530 120.953 120.500 -0.129 0.000 2.193 150 R HA -0.102 4.238 4.340 -0.001 0.000 0.229 150 R C 0.756 176.939 176.300 -0.195 0.000 1.110 150 R CA 1.040 57.030 56.100 -0.184 0.000 0.988 150 R CB -0.781 29.435 30.300 -0.140 0.000 0.871 150 R HN 0.615 nan 8.270 nan 0.000 0.458 151 N N -0.587 118.031 118.700 -0.136 0.000 2.280 151 N HA 0.076 4.815 4.740 -0.001 0.000 0.192 151 N C 0.529 175.957 175.510 -0.136 0.000 1.109 151 N CA 0.419 53.400 53.050 -0.114 0.000 0.855 151 N CB 0.988 39.435 38.487 -0.066 0.000 0.974 151 N HN 0.259 nan 8.380 nan 0.000 0.482 152 G N 0.293 108.981 108.800 -0.186 0.000 2.160 152 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.244 152 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.244 152 G C -0.263 174.476 174.900 -0.269 0.000 1.022 152 G CA -0.096 44.859 45.100 -0.242 0.000 0.741 152 G HN 0.277 nan 8.290 nan 0.000 0.508 153 S N -0.733 114.836 115.700 -0.218 0.000 2.501 153 S HA 0.609 5.078 4.470 -0.001 0.000 0.301 153 S C 0.050 174.551 174.600 -0.165 0.000 1.096 153 S CA -0.661 57.437 58.200 -0.170 0.000 1.063 153 S CB 0.876 64.046 63.200 -0.050 0.000 1.042 153 S HN 0.369 nan 8.310 nan 0.000 0.494 154 W N 2.280 123.565 121.300 -0.024 0.000 2.223 154 W HA 0.116 4.775 4.660 -0.001 0.000 0.334 154 W C 0.923 177.431 176.519 -0.019 0.000 1.334 154 W CA -0.249 57.074 57.345 -0.038 0.000 1.246 154 W CB 0.205 29.625 29.460 -0.067 0.000 1.184 154 W HN 0.522 nan 8.180 nan 0.000 0.563 155 E N 3.090 123.439 120.200 0.248 0.000 2.384 155 E HA 0.068 4.418 4.350 -0.001 0.000 0.266 155 E C -0.238 176.476 176.600 0.189 0.000 1.012 155 E CA -0.088 56.398 56.400 0.142 0.000 0.901 155 E CB 0.553 30.280 29.700 0.045 0.000 0.967 155 E HN 0.275 nan 8.360 nan 0.000 0.435 156 L N 2.567 123.874 121.223 0.139 0.000 2.343 156 L HA 0.270 4.610 4.340 -0.001 0.000 0.275 156 L C 0.068 177.040 176.870 0.171 0.000 1.056 156 L CA -1.045 53.887 54.840 0.152 0.000 0.804 156 L CB 1.309 43.434 42.059 0.111 0.000 1.203 156 L HN 0.246 nan 8.230 nan 0.000 0.440 157 V N 3.134 123.178 119.914 0.216 0.000 2.557 157 V HA 0.010 4.129 4.120 -0.001 0.000 0.301 157 V C -1.901 174.264 176.094 0.118 0.000 1.026 157 V CA -0.879 61.555 62.300 0.224 0.000 1.137 157 V CB 0.173 32.152 31.823 0.259 0.000 0.917 157 V HN 0.621 nan 8.190 nan 0.000 0.484 158 P HA 0.229 nan 4.420 nan 0.000 0.264 158 P C 0.901 178.117 177.300 -0.139 0.000 1.193 158 P CA 1.216 64.305 63.100 -0.019 0.000 0.763 158 P CB 0.581 32.270 31.700 -0.018 0.000 0.810 159 G N 0.949 109.650 108.800 -0.165 0.000 2.179 159 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.260 159 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.260 159 G C 0.136 174.750 174.900 -0.476 0.000 0.977 159 G CA -0.182 44.725 45.100 -0.321 0.000 0.641 159 G HN 0.690 nan 8.290 nan 0.000 0.533 160 H N -1.556 117.539 119.070 0.041 0.000 2.977 160 H HA 0.387 4.942 4.556 -0.001 0.000 0.350 160 H C 0.578 175.932 175.328 0.044 0.000 1.238 160 H CA -0.796 55.275 56.048 0.039 0.000 1.124 160 H CB 0.604 30.390 29.762 0.040 0.000 1.866 160 H HN 0.099 nan 8.280 nan 0.000 0.550 161 N N -0.271 118.540 118.700 0.184 0.000 2.336 161 N HA 0.073 4.813 4.740 -0.001 0.000 0.189 161 N C 0.004 175.576 175.510 0.104 0.000 1.113 161 N CA -0.007 53.112 53.050 0.116 0.000 0.858 161 N CB 0.719 39.258 38.487 0.087 0.000 0.970 161 N HN 0.122 nan 8.380 nan 0.000 0.471 162 R N 0.267 120.836 120.500 0.116 0.000 2.531 162 R HA 0.219 4.558 4.340 -0.001 0.000 0.273 162 R C -0.165 176.188 176.300 0.089 0.000 1.070 162 R CA -0.074 56.072 56.100 0.077 0.000 1.112 162 R CB 0.879 31.204 30.300 0.043 0.000 1.049 162 R HN -0.019 nan 8.270 nan 0.000 0.508 163 T N 1.721 116.302 114.554 0.046 0.000 2.851 163 T HA -0.023 4.327 4.350 -0.001 0.000 0.298 163 T C -0.438 174.294 174.700 0.053 0.000 0.977 163 T CA -0.257 61.868 62.100 0.042 0.000 1.126 163 T CB 0.305 69.121 68.868 -0.086 0.000 0.916 163 T HN 0.427 nan 8.240 nan 0.000 0.529 164 W N 3.474 124.751 121.300 -0.038 0.000 2.397 164 W HA 0.420 5.079 4.660 -0.001 0.000 0.327 164 W C -0.183 176.273 176.519 -0.106 0.000 1.421 164 W CA -0.115 57.210 57.345 -0.033 0.000 1.288 164 W CB -0.038 29.418 29.460 -0.007 0.000 1.312 164 W HN 0.711 nan 8.180 nan 0.000 0.559 165 A N 6.066 128.461 122.820 -0.708 0.000 2.488 165 A HA 0.348 4.668 4.320 -0.001 0.000 0.298 165 A C -1.469 175.643 177.584 -0.787 0.000 1.044 165 A CA -0.875 50.767 52.037 -0.659 0.000 0.693 165 A CB 1.489 20.376 19.000 -0.188 0.000 1.272 165 A HN 0.562 nan 8.150 nan 0.000 0.402 166 N N 1.648 119.920 118.700 -0.712 0.000 2.518 166 N HA 0.362 5.102 4.740 -0.001 0.000 0.254 166 N C -1.223 174.195 175.510 -0.153 0.000 0.979 166 N CA -0.072 52.736 53.050 -0.404 0.000 0.930 166 N CB 0.719 39.027 38.487 -0.299 0.000 1.152 166 N HN 0.606 nan 8.380 nan 0.000 0.505 167 Y N 0.904 121.113 120.300 -0.152 0.000 2.555 167 Y HA 0.051 4.600 4.550 -0.001 0.000 0.259 167 Y C 2.188 177.969 175.900 -0.198 0.000 1.179 167 Y CA -0.062 57.934 58.100 -0.175 0.000 1.230 167 Y CB 0.322 38.682 38.460 -0.167 0.000 1.146 167 Y HN 0.584 nan 8.280 nan 0.000 0.526 168 S N -0.660 115.035 115.700 -0.009 0.000 2.399 168 S HA -0.223 4.246 4.470 -0.001 0.000 0.231 168 S C 1.621 176.160 174.600 -0.102 0.000 1.022 168 S CA 1.503 59.677 58.200 -0.042 0.000 0.983 168 S CB -0.177 63.014 63.200 -0.016 0.000 0.803 168 S HN 0.557 nan 8.310 nan 0.000 0.480 169 E N 0.247 120.393 120.200 -0.089 0.000 2.150 169 E HA -0.074 4.275 4.350 -0.001 0.000 0.193 169 E C 2.139 178.576 176.600 -0.273 0.000 0.985 169 E CA 1.235 57.551 56.400 -0.139 0.000 0.814 169 E CB -0.386 29.291 29.700 -0.038 0.000 0.752 169 E HN 0.657 nan 8.360 nan 0.000 0.466 170 c N 0.204 118.568 118.600 -0.392 0.000 2.446 170 c HA -0.068 4.501 4.570 -0.001 0.000 0.277 170 c C 2.408 176.168 174.090 -0.551 0.000 1.275 170 c CA 0.577 56.478 56.329 -0.714 0.000 1.727 170 c CB -0.693 40.979 42.510 -1.396 0.000 2.010 170 c HN 0.346 nan 8.230 nan 0.000 0.486 171 V N -0.468 119.243 119.914 -0.338 0.000 3.499 171 V HA 0.147 4.266 4.120 -0.001 0.000 0.308 171 V C 1.785 177.804 176.094 -0.125 0.000 1.319 171 V CA 0.578 62.817 62.300 -0.102 0.000 1.194 171 V CB -1.128 30.689 31.823 -0.010 0.000 1.072 171 V HN 0.505 nan 8.190 nan 0.000 0.426 172 K N 1.132 121.365 120.400 -0.278 0.000 2.074 172 K HA -0.113 4.206 4.320 -0.001 0.000 0.209 172 K C 1.051 177.380 176.600 -0.451 0.000 1.048 172 K CA 2.124 58.131 56.287 -0.468 0.000 0.926 172 K CB -0.220 31.787 32.500 -0.822 0.000 0.713 172 K HN 0.625 nan 8.250 nan 0.000 0.444 173 F N 0.536 120.489 119.950 0.005 0.000 2.798 173 F HA 0.197 4.724 4.527 -0.001 0.000 0.291 173 F C 0.138 175.964 175.800 0.043 0.000 1.174 173 F CA -0.327 57.688 58.000 0.025 0.000 1.392 173 F CB 0.467 39.480 39.000 0.022 0.000 0.966 173 F HN -0.106 nan 8.300 nan 0.000 0.509 174 L N 0.349 121.653 121.223 0.135 0.000 3.141 174 L HA 0.280 4.619 4.340 -0.001 0.000 0.263 174 L C 0.161 177.078 176.870 0.079 0.000 1.312 174 L CA -0.225 54.684 54.840 0.116 0.000 1.012 174 L CB -0.639 41.485 42.059 0.108 0.000 1.408 174 L HN 0.211 nan 8.230 nan 0.000 0.559 175 T N 0.000 114.604 114.554 0.083 0.000 3.816 175 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 175 T CA 0.000 62.136 62.100 0.060 0.000 1.349 175 T CB 0.000 68.903 68.868 0.058 0.000 0.612 175 T HN 0.000 nan 8.240 nan 0.000 0.658