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 3euh_1_F DATA FIRST_RESID 18 DATA SEQUENCE VMPVKLAQAL ANPLFPALDS ALRSGRHIGL DELDNHAFLM DFQEYLEEFY DATA SEQUENCE ARYNVELIRA PEGFFYLRPR STTLIPRSVL SELDMMVGKI LCYLYXXPER DATA SEQUENCE LXXXXIFTQQ ELYDELLTLA DEAKLLKLVN XXXXXXXXXX QKLQEKVRSS DATA SEQUENCE LNRLRRLGMV WFMGHDSSKF RITESVFRFG ADVRAGDDPR EAQRRLIR 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 18 V HA 0.000 nan 4.120 nan 0.000 0.244 18 V C 0.000 176.098 176.094 0.007 0.000 1.182 18 V CA 0.000 62.302 62.300 0.004 0.000 1.235 18 V CB 0.000 31.826 31.823 0.005 0.000 1.184 19 M N 2.900 122.505 119.600 0.008 0.000 2.265 19 M HA 0.477 4.957 4.480 0.000 0.000 0.262 19 M C -3.001 173.307 176.300 0.014 0.000 1.026 19 M CA -1.212 54.096 55.300 0.013 0.000 0.987 19 M CB 2.292 34.894 32.600 0.003 0.000 1.937 19 M HN 0.586 nan 8.290 nan 0.000 0.481 20 P HA -0.079 nan 4.420 nan 0.000 0.257 20 P C 0.825 178.139 177.300 0.023 0.000 1.144 20 P CA -0.023 63.115 63.100 0.064 0.000 0.761 20 P CB 0.483 32.263 31.700 0.134 0.000 0.734 21 V N 4.571 124.491 119.914 0.011 0.000 2.282 21 V HA -0.304 3.816 4.120 0.000 0.000 0.249 21 V C 1.924 177.968 176.094 -0.083 0.000 1.057 21 V CA 1.962 64.244 62.300 -0.030 0.000 1.032 21 V CB -0.717 31.096 31.823 -0.016 0.000 0.645 21 V HN 0.622 nan 8.190 nan 0.000 0.447 22 K N -0.390 119.937 120.400 -0.120 0.000 2.515 22 K HA -0.071 4.249 4.320 0.000 0.000 0.196 22 K C 1.809 178.189 176.600 -0.366 0.000 1.038 22 K CA 0.666 56.770 56.287 -0.304 0.000 0.967 22 K CB -0.161 31.926 32.500 -0.688 0.000 0.780 22 K HN 0.333 nan 8.250 nan 0.000 0.483 23 L N 0.508 121.609 121.223 -0.203 0.000 2.127 23 L HA 0.076 4.416 4.340 0.000 0.000 0.203 23 L C 2.153 178.825 176.870 -0.331 0.000 1.080 23 L CA 1.348 56.065 54.840 -0.206 0.000 0.768 23 L CB -0.516 41.511 42.059 -0.054 0.000 0.924 23 L HN 0.060 nan 8.230 nan 0.000 0.444 24 A N -0.911 121.767 122.820 -0.237 0.000 1.933 24 A HA -0.232 4.088 4.320 0.000 0.000 0.218 24 A C 2.185 179.599 177.584 -0.283 0.000 1.175 24 A CA 1.717 53.609 52.037 -0.242 0.000 0.628 24 A CB -0.599 18.314 19.000 -0.145 0.000 0.814 24 A HN 0.656 nan 8.150 nan 0.000 0.444 25 Q N -0.820 118.828 119.800 -0.254 0.000 2.226 25 Q HA -0.113 4.227 4.340 0.000 0.000 0.204 25 Q C 2.316 178.039 176.000 -0.461 0.000 0.975 25 Q CA 1.212 56.879 55.803 -0.226 0.000 0.866 25 Q CB -0.300 28.398 28.738 -0.067 0.000 0.915 25 Q HN 0.724 nan 8.270 nan 0.000 0.440 26 A N 0.259 122.609 122.820 -0.783 0.000 1.878 26 A HA -0.099 4.221 4.320 0.000 0.000 0.213 26 A C 1.901 179.102 177.584 -0.639 0.000 1.192 26 A CA 0.640 52.023 52.037 -1.089 0.000 0.619 26 A CB -0.285 17.963 19.000 -1.254 0.000 0.837 26 A HN 0.201 nan 8.150 nan 0.000 0.446 27 L N -0.060 120.703 121.223 -0.767 0.000 2.042 27 L HA -0.132 4.208 4.340 0.000 0.000 0.210 27 L C 2.896 179.501 176.870 -0.442 0.000 1.076 27 L CA 1.996 56.312 54.840 -0.873 0.000 0.749 27 L CB -1.122 40.524 42.059 -0.687 0.000 0.893 27 L HN 0.410 nan 8.230 nan 0.000 0.432 28 A N -1.123 121.519 122.820 -0.295 0.000 2.014 28 A HA -0.118 4.202 4.320 0.000 0.000 0.218 28 A C 1.316 178.825 177.584 -0.124 0.000 1.163 28 A CA 0.325 52.265 52.037 -0.163 0.000 0.652 28 A CB -0.724 18.200 19.000 -0.128 0.000 0.808 28 A HN 0.511 nan 8.150 nan 0.000 0.449 29 N N 0.442 119.052 118.700 -0.150 0.000 2.294 29 N HA -0.018 4.723 4.740 0.000 0.000 0.248 29 N C -1.858 173.563 175.510 -0.149 0.000 1.242 29 N CA -0.735 52.235 53.050 -0.133 0.000 0.848 29 N CB 0.893 39.290 38.487 -0.151 0.000 1.084 29 N HN -0.037 nan 8.380 nan 0.000 0.457 30 P HA -0.071 nan 4.420 nan 0.000 0.217 30 P C 1.334 178.547 177.300 -0.144 0.000 1.150 30 P CA 0.900 63.939 63.100 -0.101 0.000 0.832 30 P CB 0.244 31.900 31.700 -0.072 0.000 0.787 31 L N -2.579 118.482 121.223 -0.269 0.000 2.191 31 L HA -0.118 4.222 4.340 0.000 0.000 0.212 31 L C 2.184 178.880 176.870 -0.289 0.000 1.103 31 L CA 1.355 56.003 54.840 -0.320 0.000 0.769 31 L CB -1.347 40.417 42.059 -0.492 0.000 0.908 31 L HN -0.099 nan 8.230 nan 0.000 0.438 32 F N 1.265 120.930 119.950 -0.475 0.000 2.008 32 F HA -0.223 4.304 4.527 0.000 0.000 0.297 32 F C -0.156 175.572 175.800 -0.120 0.000 1.156 32 F CA 1.817 59.659 58.000 -0.264 0.000 1.191 32 F CB -1.829 37.049 39.000 -0.203 0.000 0.955 32 F HN 0.072 nan 8.300 nan 0.000 0.497 33 P HA -0.364 nan 4.420 nan 0.000 0.224 33 P C 1.473 178.631 177.300 -0.237 0.000 1.153 33 P CA 3.259 66.234 63.100 -0.209 0.000 0.947 33 P CB -0.453 31.205 31.700 -0.069 0.000 0.790 34 A N -1.362 121.359 122.820 -0.166 0.000 1.841 34 A HA -0.171 4.149 4.320 0.000 0.000 0.214 34 A C 2.327 179.824 177.584 -0.144 0.000 1.195 34 A CA 1.483 53.442 52.037 -0.129 0.000 0.611 34 A CB -1.602 17.347 19.000 -0.084 0.000 0.835 34 A HN 0.111 nan 8.150 nan 0.000 0.443 35 L N -0.304 120.833 121.223 -0.143 0.000 1.997 35 L HA -0.298 4.042 4.340 0.000 0.000 0.216 35 L C 2.503 179.283 176.870 -0.151 0.000 1.074 35 L CA 2.426 57.214 54.840 -0.086 0.000 0.763 35 L CB -0.549 41.508 42.059 -0.002 0.000 0.890 35 L HN 0.563 nan 8.230 nan 0.000 0.434 36 D N -0.695 119.482 120.400 -0.372 0.000 2.133 36 D HA -0.206 4.434 4.640 0.000 0.000 0.192 36 D C 2.123 178.302 176.300 -0.201 0.000 1.001 36 D CA 1.955 55.713 54.000 -0.404 0.000 0.844 36 D CB 0.043 40.260 40.800 -0.972 0.000 0.944 36 D HN 0.212 nan 8.370 nan 0.000 0.447 37 S N -0.599 114.987 115.700 -0.190 0.000 2.402 37 S HA -0.049 4.421 4.470 0.000 0.000 0.229 37 S C 2.024 176.566 174.600 -0.095 0.000 1.021 37 S CA 0.977 59.106 58.200 -0.118 0.000 0.974 37 S CB -0.301 62.839 63.200 -0.101 0.000 0.800 37 S HN 0.490 nan 8.310 nan 0.000 0.484 38 A N 1.251 124.016 122.820 -0.091 0.000 1.929 38 A HA 0.134 4.454 4.320 0.000 0.000 0.216 38 A C 2.079 179.623 177.584 -0.066 0.000 1.176 38 A CA 0.795 52.793 52.037 -0.065 0.000 0.628 38 A CB -0.567 18.410 19.000 -0.039 0.000 0.816 38 A HN 0.422 nan 8.150 nan 0.000 0.444 39 L N -0.785 120.384 121.223 -0.089 0.000 2.027 39 L HA -0.155 4.185 4.340 0.000 0.000 0.206 39 L C 2.702 179.470 176.870 -0.171 0.000 1.074 39 L CA 1.308 56.064 54.840 -0.140 0.000 0.745 39 L CB -0.402 41.519 42.059 -0.230 0.000 0.898 39 L HN 0.323 nan 8.230 nan 0.000 0.433 40 R N -1.095 119.310 120.500 -0.159 0.000 2.285 40 R HA -0.091 4.250 4.340 0.000 0.000 0.213 40 R C 2.309 178.558 176.300 -0.085 0.000 1.068 40 R CA 0.966 56.987 56.100 -0.133 0.000 1.004 40 R CB -0.252 29.987 30.300 -0.102 0.000 0.873 40 R HN 0.192 nan 8.270 nan 0.000 0.467 41 S N -0.798 114.857 115.700 -0.074 0.000 2.496 41 S HA 0.064 4.534 4.470 0.000 0.000 0.224 41 S C 1.261 175.838 174.600 -0.038 0.000 0.996 41 S CA 0.890 59.059 58.200 -0.051 0.000 0.927 41 S CB 0.285 63.453 63.200 -0.053 0.000 0.774 41 S HN 0.619 nan 8.310 nan 0.000 0.524 42 G N 1.080 109.851 108.800 -0.049 0.000 2.168 42 G HA2 -0.207 3.753 3.960 0.000 0.000 0.197 42 G HA3 -0.207 3.753 3.960 0.000 0.000 0.197 42 G C 0.088 174.982 174.900 -0.010 0.000 0.997 42 G CA -0.043 45.039 45.100 -0.031 0.000 0.658 42 G HN 0.582 nan 8.290 nan 0.000 0.513 43 R N 0.983 121.476 120.500 -0.011 0.000 2.442 43 R HA 0.376 4.716 4.340 0.000 0.000 0.291 43 R C -0.186 176.152 176.300 0.064 0.000 1.069 43 R CA -0.419 55.710 56.100 0.048 0.000 1.022 43 R CB 0.146 30.453 30.300 0.011 0.000 0.976 43 R HN 0.410 nan 8.270 nan 0.000 0.443 44 H N 4.977 124.103 119.070 0.093 0.000 2.548 44 H HA 0.190 4.746 4.556 0.000 0.000 0.331 44 H C -0.068 175.406 175.328 0.244 0.000 1.093 44 H CA -0.507 55.665 56.048 0.206 0.000 1.367 44 H CB 1.319 31.125 29.762 0.073 0.000 1.455 44 H HN 0.323 nan 8.280 nan 0.000 0.519 45 I N 3.369 124.217 120.570 0.462 0.000 2.330 45 I HA 0.170 4.340 4.170 0.000 0.000 0.286 45 I C 1.132 177.574 176.117 0.540 0.000 1.025 45 I CA -0.131 61.446 61.300 0.462 0.000 1.197 45 I CB 0.573 38.853 38.000 0.466 0.000 1.358 45 I HN 0.645 nan 8.210 nan 0.000 0.467 46 G N 4.911 113.928 108.800 0.362 0.000 2.606 46 G HA2 0.473 4.433 3.960 0.000 0.000 0.262 46 G HA3 0.473 4.433 3.960 0.000 0.000 0.262 46 G C 0.733 175.565 174.900 -0.114 0.000 1.394 46 G CA -0.409 44.795 45.100 0.174 0.000 1.044 46 G HN 0.397 nan 8.290 nan 0.000 0.553 47 L N 0.375 121.433 121.223 -0.274 0.000 2.109 47 L HA 0.059 4.399 4.340 0.000 0.000 0.207 47 L C 2.444 179.245 176.870 -0.114 0.000 1.086 47 L CA 1.204 55.847 54.840 -0.328 0.000 0.760 47 L CB -0.695 41.242 42.059 -0.204 0.000 0.910 47 L HN 0.453 nan 8.230 nan 0.000 0.437 48 D N 0.737 121.065 120.400 -0.120 0.000 2.157 48 D HA -0.248 4.392 4.640 0.000 0.000 0.191 48 D C 0.807 177.091 176.300 -0.026 0.000 1.004 48 D CA 1.409 55.291 54.000 -0.196 0.000 0.854 48 D CB -0.281 40.217 40.800 -0.504 0.000 0.936 48 D HN 0.518 nan 8.370 nan 0.000 0.446 49 E N 0.704 120.984 120.200 0.134 0.000 2.346 49 E HA 0.071 4.421 4.350 0.000 0.000 0.317 49 E C 1.005 177.735 176.600 0.216 0.000 1.404 49 E CA -0.514 56.022 56.400 0.226 0.000 1.534 49 E CB 0.100 29.984 29.700 0.306 0.000 1.309 49 E HN 0.074 nan 8.360 nan 0.000 0.499 50 L N 1.027 122.341 121.223 0.153 0.000 2.026 50 L HA -0.346 3.994 4.340 0.000 0.000 0.231 50 L C 1.804 178.800 176.870 0.211 0.000 1.095 50 L CA 1.950 56.890 54.840 0.168 0.000 0.810 50 L CB -0.534 41.591 42.059 0.110 0.000 0.909 50 L HN 0.336 nan 8.230 nan 0.000 0.444 51 D N -1.132 119.371 120.400 0.173 0.000 2.123 51 D HA -0.145 4.495 4.640 0.000 0.000 0.196 51 D C 2.053 178.485 176.300 0.220 0.000 0.992 51 D CA 0.992 55.093 54.000 0.168 0.000 0.833 51 D CB -0.235 40.631 40.800 0.111 0.000 0.954 51 D HN 0.360 nan 8.370 nan 0.000 0.455 52 N N -0.289 118.551 118.700 0.233 0.000 2.109 52 N HA -0.159 4.581 4.740 0.000 0.000 0.188 52 N C 1.785 177.522 175.510 0.380 0.000 1.034 52 N CA 0.839 54.058 53.050 0.281 0.000 0.846 52 N CB -0.734 37.898 38.487 0.242 0.000 1.010 52 N HN 0.327 nan 8.380 nan 0.000 0.425 53 H N 0.855 120.103 119.070 0.296 0.000 2.460 53 H HA -0.015 4.541 4.556 0.000 0.000 0.297 53 H C 1.645 177.174 175.328 0.335 0.000 1.103 53 H CA 1.732 57.993 56.048 0.355 0.000 1.292 53 H CB -0.022 29.926 29.762 0.309 0.000 1.376 53 H HN 0.291 nan 8.280 nan 0.000 0.531 54 A N -0.925 122.081 122.820 0.310 0.000 2.072 54 A HA 0.004 4.324 4.320 0.000 0.000 0.216 54 A C 1.998 179.718 177.584 0.227 0.000 1.156 54 A CA 0.558 52.729 52.037 0.223 0.000 0.701 54 A CB -0.684 18.447 19.000 0.219 0.000 0.816 54 A HN 0.510 nan 8.150 nan 0.000 0.458 55 F N 0.526 120.559 119.950 0.137 0.000 2.163 55 F HA 0.063 4.590 4.527 0.000 0.000 0.297 55 F C 1.614 177.501 175.800 0.144 0.000 1.094 55 F CA 1.174 59.285 58.000 0.186 0.000 1.290 55 F CB -0.123 38.972 39.000 0.158 0.000 1.017 55 F HN 0.098 nan 8.300 nan 0.000 0.483 56 L N -0.374 120.842 121.223 -0.011 0.000 2.551 56 L HA -0.128 4.212 4.340 0.000 0.000 0.228 56 L C 1.859 178.476 176.870 -0.421 0.000 1.153 56 L CA 0.348 54.919 54.840 -0.449 0.000 0.851 56 L CB -0.389 41.155 42.059 -0.858 0.000 0.959 56 L HN 0.301 nan 8.230 nan 0.000 0.451 57 M N -0.357 119.198 119.600 -0.075 0.000 2.398 57 M HA -0.022 4.458 4.480 0.000 0.000 0.261 57 M C 1.540 177.814 176.300 -0.044 0.000 1.125 57 M CA 1.474 56.804 55.300 0.050 0.000 1.183 57 M CB -0.072 32.567 32.600 0.064 0.000 1.322 57 M HN -0.026 nan 8.290 nan 0.000 0.467 58 D N -0.144 120.189 120.400 -0.112 0.000 2.106 58 D HA -0.155 4.485 4.640 0.000 0.000 0.191 58 D C 1.120 177.133 176.300 -0.479 0.000 0.997 58 D CA 1.790 55.591 54.000 -0.331 0.000 0.834 58 D CB -0.221 40.310 40.800 -0.448 0.000 0.956 58 D HN 0.401 nan 8.370 nan 0.000 0.448 59 F N 0.295 120.104 119.950 -0.234 0.000 2.639 59 F HA 0.249 4.776 4.527 0.000 0.000 0.302 59 F C 1.968 177.753 175.800 -0.025 0.000 1.097 59 F CA -0.424 57.518 58.000 -0.096 0.000 1.294 59 F CB -0.164 38.605 39.000 -0.384 0.000 1.027 59 F HN -0.164 nan 8.300 nan 0.000 0.550 60 Q N 1.047 120.857 119.800 0.016 0.000 2.207 60 Q HA -0.282 4.058 4.340 0.000 0.000 0.215 60 Q C 1.703 177.712 176.000 0.016 0.000 1.006 60 Q CA 2.284 58.067 55.803 -0.033 0.000 0.903 60 Q CB 0.121 28.878 28.738 0.032 0.000 0.947 60 Q HN 0.376 nan 8.270 nan 0.000 0.414 61 E N -0.615 119.568 120.200 -0.028 0.000 2.072 61 E HA -0.151 4.199 4.350 0.000 0.000 0.190 61 E C 1.875 178.376 176.600 -0.166 0.000 0.982 61 E CA 1.143 57.441 56.400 -0.170 0.000 0.803 61 E CB -0.416 29.059 29.700 -0.375 0.000 0.755 61 E HN 0.578 nan 8.360 nan 0.000 0.453 62 Y N 0.617 120.932 120.300 0.024 0.000 2.314 62 Y HA -0.008 4.542 4.550 0.000 0.000 0.293 62 Y C 2.369 178.276 175.900 0.011 0.000 1.129 62 Y CA 0.517 58.629 58.100 0.021 0.000 1.201 62 Y CB -0.506 37.975 38.460 0.035 0.000 0.999 62 Y HN -0.058 nan 8.280 nan 0.000 0.541 63 L N -0.195 121.132 121.223 0.173 0.000 2.341 63 L HA -0.083 4.257 4.340 0.000 0.000 0.214 63 L C 2.309 179.319 176.870 0.234 0.000 1.115 63 L CA 0.861 55.791 54.840 0.151 0.000 0.820 63 L CB -0.284 41.860 42.059 0.142 0.000 0.944 63 L HN 0.245 nan 8.230 nan 0.000 0.452 64 E N 0.531 120.821 120.200 0.149 0.000 2.153 64 E HA -0.223 4.127 4.350 0.000 0.000 0.194 64 E C 1.927 178.603 176.600 0.126 0.000 0.988 64 E CA 1.040 57.516 56.400 0.126 0.000 0.811 64 E CB 0.243 29.969 29.700 0.043 0.000 0.746 64 E HN 0.455 nan 8.360 nan 0.000 0.466 65 E N -0.423 119.843 120.200 0.109 0.000 2.076 65 E HA -0.131 4.219 4.350 0.000 0.000 0.190 65 E C 1.799 178.478 176.600 0.131 0.000 0.979 65 E CA 0.489 56.946 56.400 0.095 0.000 0.807 65 E CB -0.150 29.595 29.700 0.075 0.000 0.761 65 E HN 0.242 nan 8.360 nan 0.000 0.454 66 F N 1.198 121.133 119.950 -0.024 0.000 2.025 66 F HA -0.285 4.242 4.527 0.000 0.000 0.297 66 F C 1.892 177.690 175.800 -0.004 0.000 1.132 66 F CA 1.722 59.666 58.000 -0.093 0.000 1.191 66 F CB -0.750 38.067 39.000 -0.305 0.000 0.963 66 F HN 0.025 nan 8.300 nan 0.000 0.481 67 Y N -0.002 120.364 120.300 0.110 0.000 2.483 67 Y HA -0.079 4.471 4.550 0.000 0.000 0.291 67 Y C 2.469 178.402 175.900 0.056 0.000 1.143 67 Y CA 0.550 58.646 58.100 -0.006 0.000 1.289 67 Y CB -0.837 37.637 38.460 0.023 0.000 0.983 67 Y HN 0.212 nan 8.280 nan 0.000 0.556 68 A N 0.303 123.214 122.820 0.152 0.000 2.015 68 A HA -0.182 4.138 4.320 0.000 0.000 0.219 68 A C 2.117 179.724 177.584 0.038 0.000 1.163 68 A CA 1.206 53.296 52.037 0.088 0.000 0.646 68 A CB -0.464 18.570 19.000 0.056 0.000 0.806 68 A HN 0.380 nan 8.150 nan 0.000 0.448 69 R N -2.020 118.471 120.500 -0.015 0.000 2.241 69 R HA -0.093 4.247 4.340 0.000 0.000 0.224 69 R C 0.541 176.701 176.300 -0.233 0.000 1.101 69 R CA 1.135 57.144 56.100 -0.151 0.000 0.995 69 R CB -0.229 29.912 30.300 -0.266 0.000 0.870 69 R HN 0.684 nan 8.270 nan 0.000 0.463 70 Y N 0.099 120.325 120.300 -0.124 0.000 2.485 70 Y HA 0.203 4.753 4.550 0.000 0.000 0.260 70 Y C 0.127 176.009 175.900 -0.030 0.000 1.173 70 Y CA -0.589 57.466 58.100 -0.076 0.000 1.252 70 Y CB 0.246 38.672 38.460 -0.056 0.000 1.123 70 Y HN -0.018 nan 8.280 nan 0.000 0.524 71 N N 0.228 118.983 118.700 0.093 0.000 2.740 71 N HA -0.151 4.589 4.740 0.000 0.000 0.248 71 N C -1.185 174.368 175.510 0.073 0.000 1.062 71 N CA 0.631 53.717 53.050 0.060 0.000 0.704 71 N CB -1.519 36.988 38.487 0.034 0.000 0.968 71 N HN 0.088 nan 8.380 nan 0.000 0.547 72 V N 0.064 120.036 119.914 0.097 0.000 2.789 72 V HA 0.350 4.470 4.120 0.000 0.000 0.311 72 V C 0.085 176.211 176.094 0.052 0.000 1.073 72 V CA -0.821 61.515 62.300 0.060 0.000 0.921 72 V CB 2.693 34.550 31.823 0.056 0.000 1.009 72 V HN 0.088 nan 8.190 nan 0.000 0.426 73 E N 2.875 123.072 120.200 -0.005 0.000 2.179 73 E HA 0.424 4.774 4.350 0.000 0.000 0.275 73 E C -0.991 175.559 176.600 -0.082 0.000 0.945 73 E CA -0.942 55.446 56.400 -0.021 0.000 0.792 73 E CB 2.429 32.101 29.700 -0.046 0.000 1.125 73 E HN 0.425 nan 8.360 nan 0.000 0.397 74 L N 4.993 126.197 121.223 -0.032 0.000 2.422 74 L HA 0.289 4.629 4.340 0.000 0.000 0.256 74 L C -0.757 176.061 176.870 -0.086 0.000 1.202 74 L CA 0.132 54.933 54.840 -0.065 0.000 1.119 74 L CB -0.658 41.439 42.059 0.063 0.000 1.383 74 L HN 0.504 nan 8.230 nan 0.000 0.411 75 I N 2.464 122.863 120.570 -0.285 0.000 3.004 75 I HA 0.213 4.383 4.170 0.000 0.000 0.287 75 I C 0.579 176.565 176.117 -0.217 0.000 1.144 75 I CA -0.293 60.791 61.300 -0.360 0.000 1.353 75 I CB 0.484 38.029 38.000 -0.759 0.000 1.417 75 I HN 0.516 nan 8.210 nan 0.000 0.602 76 R N 3.128 123.516 120.500 -0.187 0.000 2.507 76 R HA 0.543 4.883 4.340 0.000 0.000 0.298 76 R C -0.874 175.233 176.300 -0.321 0.000 1.087 76 R CA -0.525 55.407 56.100 -0.281 0.000 0.917 76 R CB 1.366 31.448 30.300 -0.363 0.000 1.173 76 R HN 0.787 nan 8.270 nan 0.000 0.472 77 A N 5.386 127.942 122.820 -0.440 0.000 2.507 77 A HA 0.218 4.538 4.320 0.000 0.000 0.235 77 A C -1.450 175.890 177.584 -0.407 0.000 1.070 77 A CA -1.021 50.705 52.037 -0.518 0.000 0.768 77 A CB 0.059 18.208 19.000 -1.418 0.000 1.011 77 A HN 0.725 nan 8.150 nan 0.000 0.502 78 P HA -0.183 nan 4.420 nan 0.000 0.219 78 P C 0.558 177.777 177.300 -0.135 0.000 1.146 78 P CA 1.244 64.251 63.100 -0.156 0.000 0.808 78 P CB 0.106 31.741 31.700 -0.108 0.000 0.779 79 E N -0.782 119.340 120.200 -0.131 0.000 2.478 79 E HA 0.023 4.373 4.350 0.000 0.000 0.198 79 E C 1.753 178.391 176.600 0.063 0.000 1.046 79 E CA 1.044 57.463 56.400 0.031 0.000 0.870 79 E CB -0.820 29.069 29.700 0.314 0.000 0.818 79 E HN 0.404 nan 8.360 nan 0.000 0.527 80 G N 1.418 110.162 108.800 -0.094 0.000 2.232 80 G HA2 -0.262 3.698 3.960 0.000 0.000 0.226 80 G HA3 -0.262 3.698 3.960 0.000 0.000 0.226 80 G C 0.167 175.041 174.900 -0.043 0.000 0.996 80 G CA -0.020 45.041 45.100 -0.065 0.000 0.626 80 G HN 0.339 nan 8.290 nan 0.000 0.509 81 F N 0.873 120.833 119.950 0.017 0.000 2.427 81 F HA 0.796 5.323 4.527 0.000 0.000 0.352 81 F C 0.020 175.905 175.800 0.141 0.000 1.100 81 F CA -2.162 55.910 58.000 0.121 0.000 1.191 81 F CB 0.389 39.496 39.000 0.179 0.000 1.128 81 F HN -0.085 nan 8.300 nan 0.000 0.533 82 F N 3.954 124.203 119.950 0.497 0.000 2.375 82 F HA 0.544 5.071 4.527 0.000 0.000 0.333 82 F C -0.177 175.863 175.800 0.400 0.000 1.104 82 F CA -0.694 57.488 58.000 0.304 0.000 1.149 82 F CB 0.922 40.035 39.000 0.189 0.000 1.190 82 F HN 0.651 nan 8.300 nan 0.000 0.533 83 Y N 0.257 120.690 120.300 0.221 0.000 2.641 83 Y HA 0.642 5.192 4.550 0.000 0.000 0.333 83 Y C -2.283 173.552 175.900 -0.108 0.000 1.174 83 Y CA -1.749 56.300 58.100 -0.085 0.000 1.057 83 Y CB 0.633 38.837 38.460 -0.428 0.000 1.322 83 Y HN 0.318 nan 8.280 nan 0.000 0.457 84 L N 3.664 124.819 121.223 -0.113 0.000 2.257 84 L HA 0.528 4.868 4.340 0.000 0.000 0.290 84 L C -0.158 176.672 176.870 -0.067 0.000 1.044 84 L CA -0.336 54.388 54.840 -0.193 0.000 0.810 84 L CB 1.135 43.025 42.059 -0.281 0.000 1.193 84 L HN 0.753 nan 8.230 nan 0.000 0.425 85 R N 6.470 126.919 120.500 -0.086 0.000 2.265 85 R HA 0.501 4.841 4.340 0.000 0.000 0.328 85 R C -2.521 173.778 176.300 -0.001 0.000 0.969 85 R CA -1.629 54.481 56.100 0.018 0.000 0.832 85 R CB 1.327 31.652 30.300 0.042 0.000 1.139 85 R HN 0.341 nan 8.270 nan 0.000 0.457 86 P HA 0.183 nan 4.420 nan 0.000 0.278 86 P C -0.922 176.393 177.300 0.025 0.000 1.238 86 P CA -0.298 62.813 63.100 0.019 0.000 0.794 86 P CB 1.374 33.087 31.700 0.020 0.000 0.955 87 R N 0.584 121.099 120.500 0.025 0.000 2.549 87 R HA 0.229 4.569 4.340 0.000 0.000 0.259 87 R C 1.924 178.237 176.300 0.022 0.000 1.095 87 R CA -0.321 55.792 56.100 0.023 0.000 1.148 87 R CB 0.463 30.775 30.300 0.020 0.000 1.181 87 R HN 0.533 nan 8.270 nan 0.000 0.571 88 S N -0.556 115.155 115.700 0.019 0.000 2.400 88 S HA -0.154 4.316 4.470 0.000 0.000 0.232 88 S C 1.539 176.149 174.600 0.016 0.000 1.025 88 S CA 1.587 59.797 58.200 0.017 0.000 0.993 88 S CB -0.232 62.976 63.200 0.014 0.000 0.808 88 S HN 0.595 nan 8.310 nan 0.000 0.478 89 T N 2.073 116.636 114.554 0.015 0.000 3.219 89 T HA 0.165 4.515 4.350 0.000 0.000 0.249 89 T C 0.632 175.344 174.700 0.019 0.000 1.099 89 T CA 0.264 62.372 62.100 0.012 0.000 0.988 89 T CB -0.630 68.243 68.868 0.007 0.000 0.999 89 T HN 0.623 nan 8.240 nan 0.000 0.550 90 T N 0.988 115.558 114.554 0.028 0.000 2.939 90 T HA 0.031 4.381 4.350 0.000 0.000 0.319 90 T C 0.847 175.576 174.700 0.049 0.000 1.082 90 T CA -0.068 62.059 62.100 0.044 0.000 1.133 90 T CB 0.195 69.090 68.868 0.044 0.000 1.019 90 T HN 0.049 nan 8.240 nan 0.000 0.548 91 L N 4.309 125.582 121.223 0.083 0.000 2.693 91 L HA 0.528 4.868 4.340 0.000 0.000 0.235 91 L C 0.127 177.083 176.870 0.143 0.000 1.127 91 L CA 0.470 55.363 54.840 0.089 0.000 0.914 91 L CB 0.179 42.271 42.059 0.054 0.000 1.193 91 L HN 0.614 nan 8.230 nan 0.000 0.502 92 I N 0.669 121.316 120.570 0.127 0.000 2.378 92 I HA 0.305 4.475 4.170 0.000 0.000 0.291 92 I C -1.969 174.177 176.117 0.048 0.000 0.992 92 I CA -1.964 59.390 61.300 0.090 0.000 1.154 92 I CB 1.507 39.537 38.000 0.049 0.000 1.315 92 I HN -0.082 nan 8.210 nan 0.000 0.448 93 P HA -0.003 nan 4.420 nan 0.000 0.261 93 P C -0.775 176.534 177.300 0.016 0.000 1.173 93 P CA 0.132 63.246 63.100 0.024 0.000 0.760 93 P CB 0.362 32.073 31.700 0.019 0.000 0.783 94 R N 1.888 122.398 120.500 0.017 0.000 2.787 94 R HA 0.720 5.060 4.340 0.000 0.000 0.271 94 R C -1.051 175.257 176.300 0.014 0.000 0.993 94 R CA -0.593 55.516 56.100 0.015 0.000 0.993 94 R CB 1.199 31.511 30.300 0.019 0.000 1.155 94 R HN 0.372 nan 8.270 nan 0.000 0.486 95 S N 1.140 116.849 115.700 0.015 0.000 2.540 95 S HA 0.402 4.872 4.470 0.000 0.000 0.275 95 S C -1.375 173.238 174.600 0.022 0.000 1.123 95 S CA -0.711 57.498 58.200 0.015 0.000 0.907 95 S CB 2.144 65.350 63.200 0.010 0.000 1.081 95 S HN 0.389 nan 8.310 nan 0.000 0.476 96 V N 3.540 123.468 119.914 0.023 0.000 2.417 96 V HA 0.440 4.560 4.120 0.000 0.000 0.291 96 V C -0.016 176.097 176.094 0.031 0.000 1.024 96 V CA -0.862 61.456 62.300 0.030 0.000 0.861 96 V CB 1.001 32.842 31.823 0.030 0.000 0.985 96 V HN 0.771 nan 8.190 nan 0.000 0.436 97 L N 3.791 125.039 121.223 0.042 0.000 2.506 97 L HA 0.171 4.511 4.340 0.000 0.000 0.281 97 L C 1.213 178.105 176.870 0.037 0.000 1.228 97 L CA 0.405 55.270 54.840 0.042 0.000 0.850 97 L CB 0.485 42.585 42.059 0.069 0.000 1.110 97 L HN 0.938 nan 8.230 nan 0.000 0.496 98 S N 0.577 116.292 115.700 0.024 0.000 2.589 98 S HA 0.025 4.495 4.470 0.000 0.000 0.265 98 S C 0.828 175.442 174.600 0.024 0.000 1.342 98 S CA -0.503 57.709 58.200 0.020 0.000 1.005 98 S CB 0.894 64.100 63.200 0.011 0.000 0.909 98 S HN 0.717 nan 8.310 nan 0.000 0.555 99 E N -0.227 119.986 120.200 0.021 0.000 2.265 99 E HA -0.091 4.259 4.350 0.000 0.000 0.196 99 E C 1.668 178.274 176.600 0.010 0.000 0.996 99 E CA 0.649 57.062 56.400 0.022 0.000 0.832 99 E CB -0.158 29.553 29.700 0.019 0.000 0.756 99 E HN 0.706 nan 8.360 nan 0.000 0.491 100 L N 0.663 121.888 121.223 0.003 0.000 2.044 100 L HA -0.169 4.171 4.340 0.000 0.000 0.205 100 L C 1.557 178.410 176.870 -0.029 0.000 1.075 100 L CA 1.359 56.194 54.840 -0.009 0.000 0.747 100 L CB -0.078 41.979 42.059 -0.002 0.000 0.903 100 L HN 0.060 nan 8.230 nan 0.000 0.435 101 D N -0.114 120.271 120.400 -0.024 0.000 2.149 101 D HA -0.248 4.392 4.640 0.000 0.000 0.198 101 D C 2.080 178.335 176.300 -0.076 0.000 0.990 101 D CA 1.364 55.335 54.000 -0.047 0.000 0.839 101 D CB -0.051 40.743 40.800 -0.011 0.000 0.948 101 D HN 0.314 nan 8.370 nan 0.000 0.460 102 M N 0.231 119.825 119.600 -0.009 0.000 2.175 102 M HA -0.028 4.452 4.480 0.000 0.000 0.264 102 M C 2.056 178.312 176.300 -0.072 0.000 1.063 102 M CA 1.039 56.358 55.300 0.032 0.000 1.119 102 M CB -0.292 32.362 32.600 0.090 0.000 1.377 102 M HN -0.061 nan 8.290 nan 0.000 0.415 103 M N -1.232 118.329 119.600 -0.064 0.000 2.319 103 M HA -0.105 4.375 4.480 0.000 0.000 0.265 103 M C 1.209 177.430 176.300 -0.132 0.000 1.068 103 M CA 1.004 56.263 55.300 -0.069 0.000 1.118 103 M CB 0.087 32.668 32.600 -0.032 0.000 1.395 103 M HN 0.078 nan 8.290 nan 0.000 0.435 104 V N -0.360 119.444 119.914 -0.182 0.000 3.129 104 V HA -0.019 4.101 4.120 0.000 0.000 0.259 104 V C 2.278 178.125 176.094 -0.412 0.000 1.116 104 V CA 1.563 63.733 62.300 -0.217 0.000 1.127 104 V CB -0.706 31.014 31.823 -0.172 0.000 0.742 104 V HN 0.681 nan 8.190 nan 0.000 0.474 105 G N -0.287 108.077 108.800 -0.727 0.000 2.492 105 G HA2 -0.100 3.860 3.960 0.000 0.000 0.214 105 G HA3 -0.100 3.860 3.960 0.000 0.000 0.214 105 G C 1.596 175.849 174.900 -1.079 0.000 1.147 105 G CA 0.128 44.279 45.100 -1.581 0.000 0.809 105 G HN 0.431 nan 8.290 nan 0.000 0.533 106 K N -0.083 120.008 120.400 -0.515 0.000 2.148 106 K HA 0.145 4.465 4.320 0.000 0.000 0.204 106 K C 2.223 178.811 176.600 -0.020 0.000 1.050 106 K CA 0.573 56.803 56.287 -0.095 0.000 0.942 106 K CB -0.092 32.412 32.500 0.006 0.000 0.724 106 K HN 0.314 nan 8.250 nan 0.000 0.446 107 I N 0.647 121.177 120.570 -0.066 0.000 2.235 107 I HA -0.222 3.948 4.170 0.000 0.000 0.241 107 I C 1.984 178.073 176.117 -0.046 0.000 1.085 107 I CA 0.896 62.230 61.300 0.056 0.000 1.378 107 I CB -0.179 37.838 38.000 0.028 0.000 1.076 107 I HN 0.073 nan 8.210 nan 0.000 0.415 108 L N 0.328 121.447 121.223 -0.173 0.000 2.351 108 L HA -0.313 4.027 4.340 0.000 0.000 0.220 108 L C 2.698 179.446 176.870 -0.204 0.000 1.127 108 L CA 0.894 55.603 54.840 -0.220 0.000 0.786 108 L CB -0.463 41.428 42.059 -0.280 0.000 0.914 108 L HN 0.552 nan 8.230 nan 0.000 0.443 109 C N -0.534 118.691 119.300 -0.125 0.000 2.675 109 C HA -0.205 4.255 4.460 0.000 0.000 0.285 109 C C 2.885 177.905 174.990 0.051 0.000 1.282 109 C CA 0.759 59.724 59.018 -0.088 0.000 1.708 109 C CB -0.806 26.962 27.740 0.045 0.000 2.134 109 C HN 0.675 nan 8.230 nan 0.000 0.494 110 Y N 1.830 122.146 120.300 0.028 0.000 2.241 110 Y HA -0.081 4.469 4.550 0.000 0.000 0.286 110 Y C 1.864 177.822 175.900 0.097 0.000 1.166 110 Y CA 1.826 59.976 58.100 0.083 0.000 1.203 110 Y CB -0.863 37.638 38.460 0.068 0.000 0.977 110 Y HN 0.378 nan 8.280 nan 0.000 0.529 111 L N -0.642 120.380 121.223 -0.334 0.000 2.465 111 L HA -0.105 4.235 4.340 0.000 0.000 0.224 111 L C 0.866 177.736 176.870 0.000 0.000 1.145 111 L CA 0.451 55.120 54.840 -0.286 0.000 0.834 111 L CB -0.560 41.342 42.059 -0.262 0.000 0.944 111 L HN 0.340 nan 8.230 nan 0.000 0.451 116 E N 0.696 120.861 120.200 -0.058 0.000 2.473 116 E HA 0.080 4.430 4.350 0.000 0.000 0.204 116 E C 0.433 176.954 176.600 -0.132 0.000 0.994 116 E CA -0.012 56.343 56.400 -0.075 0.000 0.945 116 E CB 0.415 30.055 29.700 -0.101 0.000 0.990 116 E HN 0.251 nan 8.360 nan 0.000 0.493 117 R N 1.342 121.773 120.500 -0.116 0.000 4.739 117 R HA 0.166 4.506 4.340 0.000 0.000 0.203 117 R C 0.192 176.416 176.300 -0.126 0.000 2.125 117 R CA 0.122 56.157 56.100 -0.109 0.000 1.743 117 R CB -0.357 29.897 30.300 -0.077 0.000 1.271 117 R HN 0.118 nan 8.270 nan 0.000 0.746 124 F N 2.204 121.844 119.950 -0.516 0.000 2.782 124 F HA 0.813 5.340 4.527 0.000 0.000 0.366 124 F C 0.457 175.853 175.800 -0.673 0.000 1.171 124 F CA -0.956 56.694 58.000 -0.583 0.000 1.064 124 F CB 1.677 40.298 39.000 -0.632 0.000 1.449 124 F HN 0.324 nan 8.300 nan 0.000 0.520 125 T N -1.156 113.267 114.554 -0.217 0.000 2.900 125 T HA 0.196 4.546 4.350 0.000 0.000 0.303 125 T C 0.235 175.026 174.700 0.151 0.000 1.142 125 T CA -0.459 61.593 62.100 -0.080 0.000 1.007 125 T CB 1.783 70.624 68.868 -0.045 0.000 1.156 125 T HN 0.690 nan 8.240 nan 0.000 0.490 126 Q N 1.268 121.208 119.800 0.234 0.000 2.234 126 Q HA -0.177 4.163 4.340 0.000 0.000 0.206 126 Q C 1.656 177.764 176.000 0.179 0.000 0.980 126 Q CA 1.795 57.743 55.803 0.242 0.000 0.869 126 Q CB 0.014 28.821 28.738 0.116 0.000 0.912 126 Q HN 0.784 nan 8.270 nan 0.000 0.436 127 Q N 0.296 120.171 119.800 0.124 0.000 1.948 127 Q HA -0.219 4.121 4.340 0.000 0.000 0.205 127 Q C 1.981 178.083 176.000 0.170 0.000 0.992 127 Q CA 1.875 57.757 55.803 0.131 0.000 0.849 127 Q CB -0.194 28.586 28.738 0.070 0.000 0.918 127 Q HN 0.481 nan 8.270 nan 0.000 0.421 128 E N 0.718 120.993 120.200 0.125 0.000 2.048 128 E HA -0.255 4.095 4.350 0.000 0.000 0.202 128 E C 2.058 178.746 176.600 0.147 0.000 1.021 128 E CA 1.311 57.781 56.400 0.117 0.000 0.825 128 E CB -0.351 29.417 29.700 0.114 0.000 0.756 128 E HN 0.147 nan 8.360 nan 0.000 0.454 129 L N 0.398 121.740 121.223 0.199 0.000 2.129 129 L HA -0.229 4.111 4.340 0.000 0.000 0.212 129 L C 2.241 179.220 176.870 0.182 0.000 1.087 129 L CA 1.701 56.651 54.840 0.184 0.000 0.757 129 L CB -0.525 41.681 42.059 0.244 0.000 0.896 129 L HN 0.168 nan 8.230 nan 0.000 0.434 130 Y N -0.112 120.227 120.300 0.065 0.000 2.243 130 Y HA -0.153 4.397 4.550 0.000 0.000 0.293 130 Y C 2.320 178.244 175.900 0.040 0.000 1.124 130 Y CA 1.685 59.811 58.100 0.043 0.000 1.159 130 Y CB -0.215 38.268 38.460 0.037 0.000 1.008 130 Y HN 0.296 nan 8.280 nan 0.000 0.527 131 D N -0.019 120.423 120.400 0.070 0.000 2.075 131 D HA -0.164 4.476 4.640 0.000 0.000 0.196 131 D C 1.875 178.167 176.300 -0.013 0.000 0.985 131 D CA 1.472 55.464 54.000 -0.012 0.000 0.834 131 D CB -0.144 40.684 40.800 0.047 0.000 0.987 131 D HN 0.358 nan 8.370 nan 0.000 0.452 132 E N 0.860 121.088 120.200 0.045 0.000 2.233 132 E HA -0.179 4.171 4.350 0.000 0.000 0.199 132 E C 2.225 178.867 176.600 0.070 0.000 1.004 132 E CA 0.269 56.719 56.400 0.084 0.000 0.819 132 E CB -0.280 29.471 29.700 0.085 0.000 0.738 132 E HN 0.375 nan 8.360 nan 0.000 0.478 133 L N 0.072 121.300 121.223 0.008 0.000 2.022 133 L HA -0.079 4.261 4.340 0.000 0.000 0.204 133 L C 2.316 179.141 176.870 -0.075 0.000 1.076 133 L CA 0.659 55.483 54.840 -0.025 0.000 0.749 133 L CB -0.206 41.828 42.059 -0.042 0.000 0.903 133 L HN 0.085 nan 8.230 nan 0.000 0.439 134 L N -0.432 120.686 121.223 -0.175 0.000 2.450 134 L HA -0.200 4.140 4.340 0.000 0.000 0.225 134 L C 2.135 178.952 176.870 -0.089 0.000 1.145 134 L CA 0.829 55.563 54.840 -0.177 0.000 0.801 134 L CB -1.038 40.846 42.059 -0.291 0.000 0.924 134 L HN 0.404 nan 8.230 nan 0.000 0.447 135 T N 0.107 114.631 114.554 -0.050 0.000 2.697 135 T HA -0.033 4.317 4.350 0.000 0.000 0.244 135 T C 1.661 176.356 174.700 -0.008 0.000 1.090 135 T CA 0.741 62.833 62.100 -0.013 0.000 1.255 135 T CB -0.245 68.639 68.868 0.027 0.000 0.931 135 T HN 0.180 nan 8.240 nan 0.000 0.406 136 L N 1.059 122.287 121.223 0.009 0.000 2.622 136 L HA 0.265 4.605 4.340 0.000 0.000 0.233 136 L C 0.933 177.795 176.870 -0.014 0.000 1.156 136 L CA -0.407 54.429 54.840 -0.007 0.000 0.866 136 L CB -0.512 41.538 42.059 -0.016 0.000 0.980 136 L HN 0.158 nan 8.230 nan 0.000 0.448 137 A N -0.099 122.710 122.820 -0.017 0.000 2.274 137 A HA 0.247 4.567 4.320 0.000 0.000 0.309 137 A C -0.230 177.340 177.584 -0.023 0.000 1.226 137 A CA -0.715 51.309 52.037 -0.021 0.000 0.853 137 A CB 0.189 19.173 19.000 -0.028 0.000 1.146 137 A HN 0.103 nan 8.150 nan 0.000 0.518 138 D N 2.567 122.957 120.400 -0.017 0.000 2.658 138 D HA -0.060 4.580 4.640 0.000 0.000 0.230 138 D C 0.636 176.925 176.300 -0.017 0.000 1.118 138 D CA 0.814 54.805 54.000 -0.015 0.000 0.848 138 D CB 0.769 41.564 40.800 -0.010 0.000 1.160 138 D HN 0.664 nan 8.370 nan 0.000 0.497 139 E N 0.902 121.091 120.200 -0.017 0.000 2.520 139 E HA -0.024 4.326 4.350 0.000 0.000 0.201 139 E C 0.933 177.526 176.600 -0.012 0.000 1.122 139 E CA 0.017 56.406 56.400 -0.018 0.000 0.896 139 E CB 0.308 29.998 29.700 -0.017 0.000 0.891 139 E HN 0.465 nan 8.360 nan 0.000 0.533 140 A N 0.667 123.481 122.820 -0.009 0.000 1.989 140 A HA 0.077 4.397 4.320 0.000 0.000 0.201 140 A C 1.742 179.324 177.584 -0.003 0.000 1.720 140 A CA -0.069 51.965 52.037 -0.005 0.000 0.956 140 A CB 0.245 19.244 19.000 -0.003 0.000 1.094 140 A HN -0.050 nan 8.150 nan 0.000 0.561 141 K N -0.073 120.325 120.400 -0.004 0.000 2.148 141 K HA -0.026 4.294 4.320 0.000 0.000 0.204 141 K C 1.647 178.246 176.600 -0.002 0.000 1.050 141 K CA 1.302 57.588 56.287 -0.002 0.000 0.942 141 K CB -0.234 32.265 32.500 -0.001 0.000 0.724 141 K HN 0.333 nan 8.250 nan 0.000 0.446 142 L N 1.182 122.401 121.223 -0.007 0.000 2.456 142 L HA -0.059 4.281 4.340 0.000 0.000 0.224 142 L C 1.409 178.277 176.870 -0.003 0.000 1.148 142 L CA 1.379 56.213 54.840 -0.009 0.000 0.825 142 L CB -0.078 41.968 42.059 -0.022 0.000 0.937 142 L HN 0.113 nan 8.230 nan 0.000 0.450 143 L N -1.144 120.078 121.223 -0.001 0.000 2.567 143 L HA 0.034 4.374 4.340 0.000 0.000 0.225 143 L C 2.129 179.004 176.870 0.008 0.000 1.119 143 L CA 0.258 55.101 54.840 0.005 0.000 0.871 143 L CB -0.271 41.790 42.059 0.003 0.000 1.036 143 L HN 0.237 nan 8.230 nan 0.000 0.459 144 K N 0.692 121.096 120.400 0.006 0.000 2.356 144 K HA 0.072 4.392 4.320 0.000 0.000 0.195 144 K C 1.737 178.343 176.600 0.009 0.000 1.037 144 K CA 0.203 56.494 56.287 0.007 0.000 1.014 144 K CB 0.329 32.832 32.500 0.006 0.000 0.815 144 K HN 0.278 nan 8.250 nan 0.000 0.507 145 L N 1.010 122.238 121.223 0.009 0.000 2.622 145 L HA 0.007 4.347 4.340 0.000 0.000 0.233 145 L C 0.336 177.214 176.870 0.014 0.000 1.156 145 L CA 0.287 55.134 54.840 0.010 0.000 0.866 145 L CB 0.490 42.555 42.059 0.009 0.000 0.980 145 L HN -0.065 nan 8.230 nan 0.000 0.448 146 V N -1.592 118.331 119.914 0.015 0.000 3.098 146 V HA 0.108 4.228 4.120 0.000 0.000 0.416 146 V C 0.519 176.622 176.094 0.015 0.000 1.449 146 V CA -0.580 61.731 62.300 0.018 0.000 1.486 146 V CB -0.005 31.834 31.823 0.027 0.000 1.277 146 V HN 0.290 nan 8.190 nan 0.000 0.623 159 K N 0.244 120.672 120.400 0.046 0.000 2.217 159 K HA 0.023 4.343 4.320 0.000 0.000 0.202 159 K C 1.179 177.814 176.600 0.058 0.000 1.051 159 K CA 0.952 57.266 56.287 0.045 0.000 0.952 159 K CB 0.297 32.827 32.500 0.049 0.000 0.736 159 K HN -0.015 nan 8.250 nan 0.000 0.453 160 L N 1.025 122.314 121.223 0.110 0.000 2.731 160 L HA 0.166 4.506 4.340 0.000 0.000 0.240 160 L C 1.673 178.622 176.870 0.131 0.000 1.120 160 L CA 0.602 55.529 54.840 0.145 0.000 0.913 160 L CB 0.259 42.448 42.059 0.217 0.000 1.213 160 L HN 0.055 nan 8.230 nan 0.000 0.515 161 Q N -0.272 119.526 119.800 -0.002 0.000 2.541 161 Q HA -0.142 4.198 4.340 0.000 0.000 0.215 161 Q C 1.070 177.000 176.000 -0.118 0.000 0.977 161 Q CA 0.823 56.485 55.803 -0.235 0.000 0.934 161 Q CB 0.319 28.821 28.738 -0.394 0.000 0.988 161 Q HN 0.393 nan 8.270 nan 0.000 0.521 162 E N -0.258 119.916 120.200 -0.043 0.000 2.306 162 E HA 0.041 4.391 4.350 0.000 0.000 0.201 162 E C 1.039 177.633 176.600 -0.009 0.000 0.874 162 E CA 0.462 56.844 56.400 -0.030 0.000 0.972 162 E CB 0.299 29.985 29.700 -0.023 0.000 0.957 162 E HN 0.034 nan 8.360 nan 0.000 0.492 163 K N 0.431 120.835 120.400 0.007 0.000 2.442 163 K HA -0.010 4.310 4.320 0.000 0.000 0.198 163 K C 1.427 178.032 176.600 0.008 0.000 1.044 163 K CA 0.583 56.876 56.287 0.009 0.000 0.948 163 K CB 0.240 32.751 32.500 0.018 0.000 0.762 163 K HN -0.019 nan 8.250 nan 0.000 0.472 164 V N 0.253 120.177 119.914 0.017 0.000 2.685 164 V HA -0.060 4.060 4.120 0.000 0.000 0.244 164 V C 2.058 178.146 176.094 -0.010 0.000 1.054 164 V CA 0.967 63.277 62.300 0.017 0.000 1.076 164 V CB -0.153 31.717 31.823 0.078 0.000 0.725 164 V HN 0.201 nan 8.190 nan 0.000 0.467 165 R N -0.261 120.231 120.500 -0.013 0.000 2.276 165 R HA -0.045 4.295 4.340 0.000 0.000 0.203 165 R C 2.302 178.609 176.300 0.011 0.000 1.017 165 R CA 1.168 57.264 56.100 -0.007 0.000 1.010 165 R CB -0.050 30.237 30.300 -0.022 0.000 0.900 165 R HN 0.454 nan 8.270 nan 0.000 0.469 166 S N -1.031 114.667 115.700 -0.003 0.000 2.355 166 S HA -0.011 4.459 4.470 0.000 0.000 0.216 166 S C 1.702 176.288 174.600 -0.023 0.000 1.037 166 S CA 1.128 59.325 58.200 -0.005 0.000 0.955 166 S CB -0.116 63.080 63.200 -0.007 0.000 0.877 166 S HN 0.401 nan 8.310 nan 0.000 0.488 167 S N 2.078 117.757 115.700 -0.035 0.000 2.368 167 S HA -0.146 4.324 4.470 0.000 0.000 0.226 167 S C 1.821 176.365 174.600 -0.093 0.000 1.044 167 S CA 1.708 59.873 58.200 -0.059 0.000 1.062 167 S CB -0.890 62.270 63.200 -0.066 0.000 0.931 167 S HN 0.532 nan 8.310 nan 0.000 0.440 168 L N 2.124 123.284 121.223 -0.105 0.000 2.127 168 L HA -0.194 4.146 4.340 0.000 0.000 0.211 168 L C 2.444 179.237 176.870 -0.127 0.000 1.089 168 L CA 1.351 56.095 54.840 -0.160 0.000 0.757 168 L CB -0.434 41.515 42.059 -0.184 0.000 0.899 168 L HN 0.396 nan 8.230 nan 0.000 0.434 169 N N 0.457 119.135 118.700 -0.036 0.000 2.120 169 N HA -0.238 4.502 4.740 0.000 0.000 0.188 169 N C 1.904 177.303 175.510 -0.185 0.000 1.024 169 N CA 1.520 54.532 53.050 -0.064 0.000 0.852 169 N CB -0.028 38.470 38.487 0.019 0.000 1.003 169 N HN 0.396 nan 8.380 nan 0.000 0.424 170 R N 0.295 120.718 120.500 -0.129 0.000 2.057 170 R HA 0.051 4.391 4.340 0.000 0.000 0.229 170 R C 2.461 178.674 176.300 -0.146 0.000 1.136 170 R CA 0.899 56.928 56.100 -0.118 0.000 0.952 170 R CB -0.428 29.831 30.300 -0.068 0.000 0.848 170 R HN 0.251 nan 8.270 nan 0.000 0.430 171 L N 0.797 121.930 121.223 -0.150 0.000 2.263 171 L HA -0.189 4.151 4.340 0.000 0.000 0.216 171 L C 2.762 179.504 176.870 -0.213 0.000 1.111 171 L CA 1.038 55.788 54.840 -0.149 0.000 0.773 171 L CB -0.530 41.423 42.059 -0.176 0.000 0.906 171 L HN 0.218 nan 8.230 nan 0.000 0.439 172 R N 1.200 121.503 120.500 -0.329 0.000 2.115 172 R HA -0.093 4.247 4.340 0.000 0.000 0.226 172 R C 2.186 178.245 176.300 -0.401 0.000 1.100 172 R CA 1.120 56.940 56.100 -0.467 0.000 0.980 172 R CB -0.011 29.758 30.300 -0.886 0.000 0.875 172 R HN 0.352 nan 8.270 nan 0.000 0.445 173 R N -0.013 120.305 120.500 -0.304 0.000 2.236 173 R HA 0.086 4.426 4.340 0.000 0.000 0.208 173 R C 2.007 178.221 176.300 -0.143 0.000 1.036 173 R CA 0.501 56.464 56.100 -0.228 0.000 1.001 173 R CB 0.013 30.210 30.300 -0.171 0.000 0.896 173 R HN 0.196 nan 8.270 nan 0.000 0.464 174 L N -0.259 120.902 121.223 -0.104 0.000 2.599 174 L HA 0.174 4.514 4.340 0.000 0.000 0.230 174 L C 0.976 177.867 176.870 0.034 0.000 1.141 174 L CA 0.408 55.254 54.840 0.009 0.000 0.877 174 L CB 0.127 42.209 42.059 0.038 0.000 1.009 174 L HN 0.457 nan 8.230 nan 0.000 0.447 175 G N 0.076 108.833 108.800 -0.072 0.000 2.136 175 G HA2 -0.307 3.653 3.960 0.000 0.000 0.242 175 G HA3 -0.307 3.653 3.960 0.000 0.000 0.242 175 G C 0.515 175.427 174.900 0.021 0.000 0.989 175 G CA 0.226 45.321 45.100 -0.008 0.000 0.682 175 G HN 0.349 nan 8.290 nan 0.000 0.522 176 M N -0.141 119.412 119.600 -0.079 0.000 2.576 176 M HA 0.511 4.991 4.480 0.000 0.000 0.322 176 M C -0.131 176.139 176.300 -0.050 0.000 1.184 176 M CA 0.103 55.335 55.300 -0.113 0.000 0.967 176 M CB 1.233 33.728 32.600 -0.175 0.000 1.372 176 M HN 0.053 nan 8.290 nan 0.000 0.509 177 V N -0.077 119.868 119.914 0.051 0.000 2.863 177 V HA 0.117 4.237 4.120 0.000 0.000 0.259 177 V C -2.231 173.954 176.094 0.151 0.000 1.683 177 V CA -0.709 61.668 62.300 0.129 0.000 0.892 177 V CB 1.545 33.305 31.823 -0.104 0.000 1.222 177 V HN 0.349 nan 8.190 nan 0.000 0.469 178 W N 4.876 126.235 121.300 0.098 0.000 2.329 178 W HA 0.597 5.257 4.660 0.000 0.000 0.312 178 W C 0.144 176.853 176.519 0.316 0.000 1.054 178 W CA -1.008 56.403 57.345 0.109 0.000 1.245 178 W CB 1.038 30.554 29.460 0.094 0.000 1.255 178 W HN 0.436 nan 8.180 nan 0.000 0.436 179 F N 5.206 125.277 119.950 0.201 0.000 2.519 179 F HA 0.020 4.547 4.527 0.000 0.000 0.375 179 F C 0.832 176.740 175.800 0.181 0.000 1.084 179 F CA -0.483 57.628 58.000 0.185 0.000 1.147 179 F CB 0.611 39.664 39.000 0.089 0.000 1.088 179 F HN -0.008 nan 8.300 nan 0.000 0.555 180 M N 5.174 124.976 119.600 0.336 0.000 2.365 180 M HA 0.367 4.847 4.480 0.000 0.000 0.350 180 M C 0.178 176.543 176.300 0.108 0.000 1.274 180 M CA -0.197 55.222 55.300 0.198 0.000 1.252 180 M CB -0.218 32.477 32.600 0.159 0.000 1.297 180 M HN 0.699 nan 8.290 nan 0.000 0.438 181 G N 2.075 110.926 108.800 0.085 0.000 2.725 181 G HA2 -0.050 3.910 3.960 0.000 0.000 0.100 181 G HA3 -0.050 3.910 3.960 0.000 0.000 0.100 181 G C 0.317 175.227 174.900 0.016 0.000 2.315 181 G CA 0.046 45.173 45.100 0.045 0.000 1.153 181 G HN 0.526 nan 8.290 nan 0.000 0.325 182 H N -0.852 118.246 119.070 0.046 0.000 4.940 182 H HA 0.261 4.817 4.556 0.000 0.000 0.098 182 H C 0.051 175.428 175.328 0.083 0.000 1.282 182 H CA 0.898 56.979 56.048 0.056 0.000 0.817 182 H CB 0.596 30.372 29.762 0.023 0.000 1.352 182 H HN 0.293 nan 8.280 nan 0.000 0.128 183 D N 0.330 120.843 120.400 0.189 0.000 2.525 183 D HA 0.079 4.719 4.640 0.000 0.000 0.231 183 D C 0.696 176.900 176.300 -0.159 0.000 1.216 183 D CA 0.079 54.133 54.000 0.090 0.000 0.813 183 D CB 1.586 42.438 40.800 0.088 0.000 1.108 183 D HN 0.032 nan 8.370 nan 0.000 0.524 184 S N 0.085 115.694 115.700 -0.152 0.000 2.580 184 S HA 0.082 4.552 4.470 0.000 0.000 0.261 184 S C 0.587 174.931 174.600 -0.426 0.000 1.366 184 S CA 0.177 58.258 58.200 -0.198 0.000 0.996 184 S CB 0.701 63.847 63.200 -0.091 0.000 0.902 184 S HN -0.085 nan 8.310 nan 0.000 0.566 185 S N 2.439 117.990 115.700 -0.249 0.000 2.891 185 S HA 0.366 4.836 4.470 0.000 0.000 0.186 185 S C -0.679 173.946 174.600 0.041 0.000 1.401 185 S CA -0.567 57.535 58.200 -0.163 0.000 1.035 185 S CB -0.161 63.011 63.200 -0.046 0.000 1.293 185 S HN 0.564 nan 8.310 nan 0.000 0.493 186 K N 2.345 122.754 120.400 0.014 0.000 3.157 186 K HA 0.207 4.527 4.320 0.000 0.000 0.173 186 K C -0.526 176.107 176.600 0.056 0.000 1.127 186 K CA -0.308 55.967 56.287 -0.021 0.000 0.849 186 K CB 0.493 32.967 32.500 -0.042 0.000 1.038 186 K HN 0.452 nan 8.250 nan 0.000 0.603 187 F N -0.104 119.898 119.950 0.087 0.000 2.139 187 F HA 0.534 5.061 4.527 0.000 0.000 0.273 187 F C 0.211 176.156 175.800 0.242 0.000 1.058 187 F CA -1.127 57.014 58.000 0.234 0.000 1.149 187 F CB 0.361 39.569 39.000 0.347 0.000 1.739 187 F HN -0.001 nan 8.300 nan 0.000 0.536 188 R N 0.862 121.654 120.500 0.486 0.000 2.518 188 R HA 0.414 4.754 4.340 0.000 0.000 0.287 188 R C -1.749 174.767 176.300 0.361 0.000 1.135 188 R CA -0.522 55.773 56.100 0.324 0.000 0.967 188 R CB 1.147 31.587 30.300 0.233 0.000 1.212 188 R HN 0.847 nan 8.270 nan 0.000 0.422 189 I N 3.380 124.104 120.570 0.257 0.000 2.634 189 I HA 0.096 4.266 4.170 0.000 0.000 0.284 189 I C 0.482 176.698 176.117 0.165 0.000 1.124 189 I CA 0.355 61.758 61.300 0.170 0.000 1.417 189 I CB 1.419 39.435 38.000 0.026 0.000 1.396 189 I HN 0.563 nan 8.210 nan 0.000 0.571 190 T N 4.136 118.691 114.554 0.001 0.000 2.943 190 T HA 0.120 4.470 4.350 0.000 0.000 0.284 190 T C 1.136 175.548 174.700 -0.481 0.000 1.015 190 T CA -0.653 61.386 62.100 -0.102 0.000 1.042 190 T CB 1.566 70.419 68.868 -0.024 0.000 1.055 190 T HN 0.661 nan 8.240 nan 0.000 0.500 191 E N 1.100 121.032 120.200 -0.447 0.000 2.268 191 E HA -0.094 4.256 4.350 0.000 0.000 0.195 191 E C 1.669 177.877 176.600 -0.654 0.000 0.995 191 E CA 0.976 56.991 56.400 -0.640 0.000 0.836 191 E CB -0.804 28.877 29.700 -0.031 0.000 0.763 191 E HN 0.454 nan 8.360 nan 0.000 0.491 192 S N 0.951 116.182 115.700 -0.781 0.000 2.441 192 S HA -0.122 4.348 4.470 0.000 0.000 0.242 192 S C 2.032 175.938 174.600 -1.157 0.000 1.018 192 S CA 1.210 58.493 58.200 -1.529 0.000 0.988 192 S CB -0.474 62.176 63.200 -0.918 0.000 0.778 192 S HN 0.214 nan 8.310 nan 0.000 0.498 193 V N 0.848 120.336 119.914 -0.710 0.000 2.568 193 V HA -0.162 3.958 4.120 0.000 0.000 0.253 193 V C 1.746 177.710 176.094 -0.216 0.000 1.072 193 V CA 1.322 63.401 62.300 -0.368 0.000 1.084 193 V CB -1.054 30.520 31.823 -0.415 0.000 0.676 193 V HN 0.411 nan 8.190 nan 0.000 0.469 194 F N 0.554 120.367 119.950 -0.228 0.000 2.411 194 F HA -0.153 4.374 4.527 0.000 0.000 0.299 194 F C 2.308 178.131 175.800 0.038 0.000 1.077 194 F CA 1.365 59.357 58.000 -0.013 0.000 1.439 194 F CB -0.664 38.392 39.000 0.092 0.000 1.085 194 F HN 0.076 nan 8.300 nan 0.000 0.564 195 R N -0.984 119.549 120.500 0.056 0.000 2.339 195 R HA -0.083 4.257 4.340 0.000 0.000 0.199 195 R C 0.956 177.065 176.300 -0.319 0.000 1.018 195 R CA 0.736 56.763 56.100 -0.121 0.000 1.036 195 R CB -0.263 29.793 30.300 -0.406 0.000 0.899 195 R HN 0.200 nan 8.270 nan 0.000 0.473 196 F N -1.018 118.932 119.950 -0.001 0.000 2.704 196 F HA 0.336 4.863 4.527 0.000 0.000 0.304 196 F C 1.392 177.227 175.800 0.058 0.000 1.094 196 F CA -0.111 57.887 58.000 -0.004 0.000 1.275 196 F CB 0.275 39.238 39.000 -0.062 0.000 1.073 196 F HN -0.049 nan 8.300 nan 0.000 0.586 197 G N 0.577 109.540 108.800 0.272 0.000 2.544 197 G HA2 0.420 4.380 3.960 0.000 0.000 0.242 197 G HA3 0.420 4.380 3.960 0.000 0.000 0.242 197 G C 0.257 175.258 174.900 0.169 0.000 1.247 197 G CA 0.042 45.301 45.100 0.264 0.000 0.840 197 G HN 0.345 nan 8.290 nan 0.000 0.578 198 A N 0.783 123.686 122.820 0.138 0.000 2.296 198 A HA 0.454 4.774 4.320 0.000 0.000 0.276 198 A C 0.275 177.901 177.584 0.071 0.000 1.356 198 A CA -0.328 51.763 52.037 0.090 0.000 0.825 198 A CB 0.378 19.419 19.000 0.069 0.000 1.308 198 A HN 0.541 nan 8.150 nan 0.000 0.515 199 D N 0.718 121.146 120.400 0.048 0.000 2.467 199 D HA 0.354 4.994 4.640 0.000 0.000 0.220 199 D C -0.832 175.483 176.300 0.025 0.000 1.103 199 D CA 0.007 54.026 54.000 0.033 0.000 0.886 199 D CB 1.047 41.863 40.800 0.026 0.000 1.025 199 D HN 0.085 nan 8.370 nan 0.000 0.514 200 V N 5.124 125.050 119.914 0.021 0.000 2.302 200 V HA 0.049 4.169 4.120 0.000 0.000 0.244 200 V C 1.691 177.788 176.094 0.005 0.000 1.160 200 V CA 0.112 62.421 62.300 0.015 0.000 1.127 200 V CB 0.531 32.360 31.823 0.011 0.000 1.253 200 V HN 0.359 nan 8.190 nan 0.000 0.496 201 R N 4.040 124.544 120.500 0.007 0.000 2.142 201 R HA 0.180 4.520 4.340 0.000 0.000 0.204 201 R C 2.020 178.322 176.300 0.003 0.000 1.059 201 R CA 1.301 57.403 56.100 0.004 0.000 1.055 201 R CB -0.072 30.231 30.300 0.005 0.000 0.976 201 R HN 0.541 nan 8.270 nan 0.000 0.483 202 A N 0.243 123.066 122.820 0.006 0.000 1.972 202 A HA 0.056 4.376 4.320 0.000 0.000 0.219 202 A C 1.408 178.994 177.584 0.005 0.000 1.169 202 A CA 1.791 53.831 52.037 0.005 0.000 0.635 202 A CB -0.606 18.398 19.000 0.006 0.000 0.810 202 A HN 0.656 nan 8.150 nan 0.000 0.446 203 G N -1.270 107.534 108.800 0.005 0.000 2.135 203 G HA2 -0.136 3.825 3.960 0.000 0.000 0.183 203 G HA3 -0.136 3.825 3.960 0.000 0.000 0.183 203 G C -0.173 174.733 174.900 0.009 0.000 1.004 203 G CA 0.268 45.371 45.100 0.005 0.000 0.677 203 G HN 0.459 nan 8.290 nan 0.000 0.512 204 D N 0.697 121.104 120.400 0.012 0.000 2.342 204 D HA 0.336 4.976 4.640 0.000 0.000 0.284 204 D C 0.498 176.811 176.300 0.022 0.000 1.198 204 D CA 0.486 54.495 54.000 0.015 0.000 1.061 204 D CB 0.185 40.993 40.800 0.014 0.000 1.130 204 D HN 0.422 nan 8.370 nan 0.000 0.541 205 D N -0.648 119.767 120.400 0.026 0.000 2.225 205 D HA 0.212 4.852 4.640 0.000 0.000 0.249 205 D C -2.124 174.207 176.300 0.052 0.000 1.052 205 D CA -1.427 52.596 54.000 0.038 0.000 0.909 205 D CB 0.774 41.595 40.800 0.036 0.000 1.186 205 D HN -0.111 nan 8.370 nan 0.000 0.431 206 P HA -0.038 nan 4.420 nan 0.000 0.205 206 P C 1.343 178.716 177.300 0.123 0.000 1.203 206 P CA 0.835 64.004 63.100 0.115 0.000 0.926 206 P CB 0.177 31.969 31.700 0.153 0.000 0.767 207 R N -0.283 120.306 120.500 0.148 0.000 2.140 207 R HA -0.230 4.110 4.340 0.000 0.000 0.250 207 R C 2.367 178.659 176.300 -0.014 0.000 1.150 207 R CA 1.907 58.095 56.100 0.147 0.000 0.966 207 R CB -0.586 29.842 30.300 0.213 0.000 0.869 207 R HN 0.380 nan 8.270 nan 0.000 0.445 208 E N -0.375 119.820 120.200 -0.009 0.000 2.230 208 E HA -0.040 4.310 4.350 0.000 0.000 0.192 208 E C 1.821 178.395 176.600 -0.043 0.000 0.987 208 E CA 0.595 56.961 56.400 -0.057 0.000 0.841 208 E CB 0.100 29.784 29.700 -0.027 0.000 0.783 208 E HN 0.390 nan 8.360 nan 0.000 0.481 209 A N 0.929 123.749 122.820 -0.001 0.000 1.902 209 A HA -0.253 4.067 4.320 0.000 0.000 0.217 209 A C 2.137 179.727 177.584 0.009 0.000 1.181 209 A CA 1.780 53.824 52.037 0.013 0.000 0.623 209 A CB -0.542 18.480 19.000 0.038 0.000 0.818 209 A HN 0.273 nan 8.150 nan 0.000 0.443 210 Q N -0.173 119.638 119.800 0.019 0.000 2.083 210 Q HA -0.096 4.244 4.340 0.000 0.000 0.198 210 Q C 2.177 178.124 176.000 -0.089 0.000 0.969 210 Q CA 1.846 57.663 55.803 0.023 0.000 0.838 210 Q CB -0.344 28.461 28.738 0.112 0.000 0.900 210 Q HN 0.627 nan 8.270 nan 0.000 0.436 211 R N -0.074 120.292 120.500 -0.223 0.000 2.083 211 R HA -0.188 4.152 4.340 0.000 0.000 0.237 211 R C 2.391 178.595 176.300 -0.159 0.000 1.137 211 R CA 1.728 57.626 56.100 -0.337 0.000 0.951 211 R CB -0.263 29.812 30.300 -0.375 0.000 0.851 211 R HN 0.273 nan 8.270 nan 0.000 0.434 212 R N 0.685 121.128 120.500 -0.095 0.000 2.082 212 R HA -0.176 4.164 4.340 0.000 0.000 0.234 212 R C 2.505 178.785 176.300 -0.032 0.000 1.136 212 R CA 1.924 57.993 56.100 -0.051 0.000 0.935 212 R CB -0.607 29.676 30.300 -0.029 0.000 0.842 212 R HN 0.388 nan 8.270 nan 0.000 0.430 213 L N 0.960 122.173 121.223 -0.017 0.000 2.051 213 L HA -0.239 4.101 4.340 0.000 0.000 0.214 213 L C 2.132 179.002 176.870 0.000 0.000 1.076 213 L CA 1.390 56.233 54.840 0.006 0.000 0.758 213 L CB -0.316 41.762 42.059 0.031 0.000 0.890 213 L HN 0.305 nan 8.230 nan 0.000 0.433 214 I N -0.130 120.429 120.570 -0.019 0.000 2.145 214 I HA -0.286 3.884 4.170 0.000 0.000 0.244 214 I C 2.029 178.135 176.117 -0.017 0.000 1.075 214 I CA 1.239 62.529 61.300 -0.018 0.000 1.332 214 I CB -1.528 36.444 38.000 -0.046 0.000 1.033 214 I HN 0.437 nan 8.210 nan 0.000 0.410 215 R N 0.000 120.484 120.500 -0.027 0.000 2.786 215 R HA 0.000 4.340 4.340 0.000 0.000 0.208 215 R CA 0.000 56.088 56.100 -0.020 0.000 0.921 215 R CB 0.000 30.284 30.300 -0.026 0.000 0.687 215 R HN 0.000 nan 8.270 nan 0.000 0.535