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 3gwq_1_A DATA FIRST_RESID 9 DATA SEQUENCE ATIDPYSKGL GXVPGTSIQL TDAARLEWNL LNEDVSLPAA VLYADRVEHN DATA SEQUENCE LKWXQAFVAE YGVKLAPHGK TTXAPQLFRR QLETGAWGIT LATAHQVRAA DATA SEQUENCE YHGGVSRVLX ANQLVGRRNX XXVAELLSDP EFEFFCLVDS VEGVEQLGEF DATA SEQUENCE FKSVNKQLQV LLELGVPGGR TGVRDAAQRN AVLEAITRYP DTLKLAGVEL DATA SEQUENCE YEGVLKEEHE VREFLQSAVA VTRELVEQER FARAPAVLSG AGSAWYDVVA DATA SEQUENCE EEFVKASETG KVEVVLRPGc YLTHDVGIYR KAQTDIFXXX XXXXXXXEGL DATA SEQUENCE LPALQLWAYV QSIPEPDRAI IGLGKRDSAF DAGXPEPARH YRPGNEAPRD DATA SEQUENCE IAASEGWEIF GLXDQHAYLR IPAGADLKVG DXIAFDISHP cLTFDKWRQV DATA SEQUENCE LVVDPAYRVT EVIETFF 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.599 177.584 0.025 0.000 1.274 9 A CA 0.000 52.067 52.037 0.049 0.000 0.836 9 A CB 0.000 19.042 19.000 0.070 0.000 0.831 10 T N -0.151 114.416 114.554 0.021 0.000 2.916 10 T HA 0.773 5.123 4.350 -0.000 0.000 0.292 10 T C -0.044 174.663 174.700 0.011 0.000 1.055 10 T CA -0.745 61.360 62.100 0.008 0.000 1.009 10 T CB 0.999 69.871 68.868 0.006 0.000 1.118 10 T HN 0.670 nan 8.240 nan 0.000 0.497 11 I N 2.150 122.726 120.570 0.010 0.000 2.618 11 I HA 0.119 4.289 4.170 -0.000 0.000 0.284 11 I C 0.425 176.563 176.117 0.035 0.000 1.146 11 I CA -0.187 61.135 61.300 0.037 0.000 1.425 11 I CB 0.301 38.337 38.000 0.061 0.000 1.383 11 I HN 0.703 nan 8.210 nan 0.000 0.562 12 D N 9.623 130.050 120.400 0.045 0.000 2.338 12 D HA 0.107 4.747 4.640 -0.000 0.000 0.255 12 D C -1.447 174.867 176.300 0.023 0.000 1.237 12 D CA -2.270 51.756 54.000 0.044 0.000 0.883 12 D CB 1.113 41.949 40.800 0.061 0.000 1.087 12 D HN 0.250 nan 8.370 nan 0.000 0.485 13 P HA -0.101 nan 4.420 nan 0.000 0.234 13 P C 0.239 177.388 177.300 -0.252 0.000 1.167 13 P CA 0.698 63.686 63.100 -0.186 0.000 0.763 13 P CB 0.015 31.510 31.700 -0.341 0.000 0.835 14 Y N -1.100 119.212 120.300 0.020 0.000 2.467 14 Y HA 0.269 4.819 4.550 -0.000 0.000 0.250 14 Y C 1.460 177.360 175.900 0.001 0.000 1.155 14 Y CA -0.228 57.876 58.100 0.006 0.000 1.249 14 Y CB -0.009 38.451 38.460 0.000 0.000 1.146 14 Y HN -0.166 nan 8.280 nan 0.000 0.524 15 S N 1.133 116.910 115.700 0.127 0.000 2.603 15 S HA 0.222 4.692 4.470 -0.000 0.000 0.268 15 S C 0.255 174.893 174.600 0.064 0.000 1.317 15 S CA -0.869 57.383 58.200 0.088 0.000 1.012 15 S CB 0.492 63.744 63.200 0.087 0.000 0.926 15 S HN 0.340 nan 8.310 nan 0.000 0.539 16 K N 0.171 120.604 120.400 0.054 0.000 2.102 16 K HA 0.558 4.878 4.320 -0.000 0.000 0.244 16 K C 0.750 177.449 176.600 0.164 0.000 1.021 16 K CA -0.006 56.319 56.287 0.063 0.000 0.913 16 K CB -0.019 32.474 32.500 -0.011 0.000 1.062 16 K HN 0.750 nan 8.250 nan 0.000 0.485 17 G N 0.474 109.382 108.800 0.180 0.000 2.198 17 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.260 17 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.260 17 G C -0.392 174.491 174.900 -0.027 0.000 1.025 17 G CA 0.484 45.687 45.100 0.170 0.000 0.769 17 G HN 0.400 nan 8.290 nan 0.000 0.507 18 L N -1.004 120.137 121.223 -0.136 0.000 2.309 18 L HA 0.812 5.152 4.340 -0.000 0.000 0.261 18 L C 1.202 177.633 176.870 -0.731 0.000 1.021 18 L CA -0.828 53.780 54.840 -0.387 0.000 0.823 18 L CB 1.747 43.700 42.059 -0.178 0.000 1.366 18 L HN 0.202 nan 8.230 nan 0.000 0.423 22 P HA 0.331 nan 4.420 nan 0.000 0.255 22 P C 0.461 177.758 177.300 -0.003 0.000 1.248 22 P CA 0.600 63.715 63.100 0.024 0.000 0.807 22 P CB 1.017 32.735 31.700 0.031 0.000 1.150 23 G N -0.657 108.136 108.800 -0.012 0.000 2.649 23 G HA2 0.397 4.357 3.960 -0.000 0.000 0.290 23 G HA3 0.397 4.357 3.960 -0.000 0.000 0.290 23 G C 0.104 174.985 174.900 -0.032 0.000 1.426 23 G CA -0.100 44.986 45.100 -0.023 0.000 0.794 23 G HN -0.072 nan 8.290 nan 0.000 0.483 24 T N -2.673 111.864 114.554 -0.029 0.000 3.069 24 T HA 0.277 4.627 4.350 -0.000 0.000 0.252 24 T C 1.000 175.693 174.700 -0.011 0.000 1.053 24 T CA 0.688 62.772 62.100 -0.026 0.000 0.964 24 T CB 0.421 69.278 68.868 -0.018 0.000 1.005 24 T HN 0.284 nan 8.240 nan 0.000 0.532 25 S N 1.027 116.719 115.700 -0.013 0.000 2.711 25 S HA 0.453 4.923 4.470 -0.000 0.000 0.247 25 S C 0.069 174.658 174.600 -0.018 0.000 1.079 25 S CA -0.612 57.582 58.200 -0.010 0.000 1.050 25 S CB -0.160 63.035 63.200 -0.008 0.000 0.885 25 S HN 0.484 nan 8.310 nan 0.000 0.498 26 I N 2.785 123.341 120.570 -0.024 0.000 2.379 26 I HA 0.128 4.298 4.170 -0.000 0.000 0.290 26 I C 0.436 176.529 176.117 -0.040 0.000 1.063 26 I CA -0.404 60.871 61.300 -0.041 0.000 1.351 26 I CB 0.565 38.532 38.000 -0.056 0.000 1.410 26 I HN 0.065 nan 8.210 nan 0.000 0.505 27 Q N 5.703 125.478 119.800 -0.043 0.000 2.337 27 Q HA 0.106 4.446 4.340 -0.000 0.000 0.270 27 Q C 1.159 177.130 176.000 -0.047 0.000 1.002 27 Q CA 0.061 55.843 55.803 -0.034 0.000 0.888 27 Q CB 1.354 30.074 28.738 -0.031 0.000 1.222 27 Q HN 0.684 nan 8.270 nan 0.000 0.400 28 L N 1.521 122.727 121.223 -0.028 0.000 2.081 28 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 28 L C 2.234 179.074 176.870 -0.050 0.000 1.080 28 L CA 2.013 56.834 54.840 -0.030 0.000 0.754 28 L CB -0.727 41.331 42.059 -0.002 0.000 0.893 28 L HN 0.743 nan 8.230 nan 0.000 0.433 29 T N -5.271 109.257 114.554 -0.042 0.000 3.118 29 T HA -0.064 4.286 4.350 -0.000 0.000 0.260 29 T C 1.060 175.719 174.700 -0.069 0.000 1.139 29 T CA 0.597 62.669 62.100 -0.046 0.000 1.085 29 T CB -0.174 68.677 68.868 -0.028 0.000 0.934 29 T HN 0.166 nan 8.240 nan 0.000 0.518 30 D N 0.839 121.186 120.400 -0.089 0.000 2.368 30 D HA 0.454 5.094 4.640 -0.000 0.000 0.218 30 D C 1.969 178.159 176.300 -0.182 0.000 1.112 30 D CA 0.269 54.201 54.000 -0.113 0.000 0.834 30 D CB 0.136 40.879 40.800 -0.095 0.000 0.953 30 D HN 0.488 nan 8.370 nan 0.000 0.505 31 A N 1.106 123.797 122.820 -0.216 0.000 1.948 31 A HA -0.175 4.144 4.320 -0.000 0.000 0.220 31 A C 2.294 179.629 177.584 -0.416 0.000 1.177 31 A CA 1.912 53.723 52.037 -0.376 0.000 0.636 31 A CB -0.447 18.360 19.000 -0.322 0.000 0.815 31 A HN 0.259 nan 8.150 nan 0.000 0.449 32 A N -0.218 122.451 122.820 -0.252 0.000 2.024 32 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 32 A C 2.153 179.614 177.584 -0.205 0.000 1.164 32 A CA 1.455 53.371 52.037 -0.202 0.000 0.643 32 A CB -0.483 18.444 19.000 -0.121 0.000 0.806 32 A HN 0.597 nan 8.150 nan 0.000 0.451 33 R N -0.570 119.808 120.500 -0.205 0.000 2.189 33 R HA 0.041 4.381 4.340 -0.000 0.000 0.223 33 R C 1.452 177.630 176.300 -0.203 0.000 1.092 33 R CA 0.943 56.942 56.100 -0.167 0.000 0.989 33 R CB -0.385 29.833 30.300 -0.137 0.000 0.876 33 R HN 0.514 nan 8.270 nan 0.000 0.457 34 L N 0.720 121.730 121.223 -0.355 0.000 2.478 34 L HA 0.002 4.342 4.340 -0.000 0.000 0.223 34 L C 0.064 176.762 176.870 -0.287 0.000 1.140 34 L CA 0.410 55.002 54.840 -0.414 0.000 0.842 34 L CB -0.334 41.209 42.059 -0.859 0.000 0.953 34 L HN 0.214 nan 8.230 nan 0.000 0.452 35 E N -0.740 119.319 120.200 -0.236 0.000 2.271 35 E HA -0.216 4.133 4.350 -0.000 0.000 0.223 35 E C -0.964 175.697 176.600 0.102 0.000 1.223 35 E CA 0.026 56.389 56.400 -0.061 0.000 0.704 35 E CB -1.098 28.593 29.700 -0.015 0.000 1.194 35 E HN 0.313 nan 8.360 nan 0.000 0.375 36 W N 1.329 122.605 121.300 -0.041 0.000 2.322 36 W HA 0.373 5.033 4.660 -0.000 0.000 0.307 36 W C 0.896 177.377 176.519 -0.062 0.000 1.220 36 W CA -0.803 56.511 57.345 -0.051 0.000 1.210 36 W CB 0.393 29.816 29.460 -0.060 0.000 1.223 36 W HN 0.066 nan 8.180 nan 0.000 0.511 37 N N 3.404 122.196 118.700 0.152 0.000 2.399 37 N HA 0.098 4.838 4.740 -0.000 0.000 0.280 37 N C 0.560 176.038 175.510 -0.053 0.000 1.008 37 N CA -0.391 52.684 53.050 0.040 0.000 0.894 37 N CB 1.687 40.188 38.487 0.023 0.000 1.273 37 N HN 0.298 nan 8.380 nan 0.000 0.486 38 L N 4.687 125.825 121.223 -0.141 0.000 2.043 38 L HA -0.068 4.272 4.340 -0.000 0.000 0.212 38 L C 1.899 178.545 176.870 -0.374 0.000 1.075 38 L CA 1.766 56.411 54.840 -0.326 0.000 0.752 38 L CB -0.229 41.505 42.059 -0.541 0.000 0.891 38 L HN 0.675 nan 8.230 nan 0.000 0.432 39 L N -0.926 120.048 121.223 -0.415 0.000 2.291 39 L HA -0.090 4.250 4.340 -0.000 0.000 0.214 39 L C 1.409 178.217 176.870 -0.104 0.000 1.120 39 L CA 0.413 54.949 54.840 -0.508 0.000 0.799 39 L CB -0.625 40.975 42.059 -0.765 0.000 0.925 39 L HN 0.310 nan 8.230 nan 0.000 0.446 40 N N 0.560 119.225 118.700 -0.058 0.000 2.398 40 N HA -0.041 4.698 4.740 -0.000 0.000 0.188 40 N C -0.022 175.511 175.510 0.037 0.000 1.122 40 N CA 0.180 53.244 53.050 0.024 0.000 0.866 40 N CB 0.086 38.587 38.487 0.023 0.000 0.970 40 N HN 0.254 nan 8.380 nan 0.000 0.462 41 E N -0.339 119.876 120.200 0.025 0.000 2.513 41 E HA -0.203 4.147 4.350 -0.000 0.000 0.257 41 E C -0.526 176.067 176.600 -0.011 0.000 1.098 41 E CA 0.253 56.685 56.400 0.053 0.000 0.752 41 E CB -0.951 28.829 29.700 0.134 0.000 1.324 41 E HN 0.342 nan 8.360 nan 0.000 0.403 42 D N -0.236 120.126 120.400 -0.063 0.000 2.277 42 D HA -0.002 4.638 4.640 -0.000 0.000 0.208 42 D C 0.717 176.828 176.300 -0.315 0.000 0.962 42 D CA 0.711 54.635 54.000 -0.127 0.000 0.865 42 D CB 0.433 41.206 40.800 -0.044 0.000 0.939 42 D HN 0.053 nan 8.370 nan 0.000 0.510 43 V N 0.653 120.398 119.914 -0.282 0.000 2.513 43 V HA 0.174 4.294 4.120 -0.000 0.000 0.299 43 V C 0.304 176.284 176.094 -0.191 0.000 1.035 43 V CA -0.940 61.137 62.300 -0.372 0.000 0.889 43 V CB 1.940 33.559 31.823 -0.341 0.000 0.988 43 V HN -0.064 nan 8.190 nan 0.000 0.440 44 S N 5.415 121.009 115.700 -0.176 0.000 2.516 44 S HA 0.372 4.842 4.470 -0.000 0.000 0.282 44 S C -0.432 174.171 174.600 0.006 0.000 1.286 44 S CA -0.374 57.806 58.200 -0.034 0.000 1.066 44 S CB -0.281 62.898 63.200 -0.035 0.000 0.884 44 S HN 0.487 nan 8.310 nan 0.000 0.491 45 L N 6.945 128.213 121.223 0.076 0.000 2.325 45 L HA 0.528 4.868 4.340 -0.000 0.000 0.279 45 L C -1.722 175.232 176.870 0.139 0.000 1.054 45 L CA -2.144 52.723 54.840 0.044 0.000 0.804 45 L CB 1.153 43.067 42.059 -0.242 0.000 1.200 45 L HN 0.548 nan 8.230 nan 0.000 0.436 46 P HA 0.404 nan 4.420 nan 0.000 0.276 46 P C -1.263 176.231 177.300 0.322 0.000 1.244 46 P CA -0.381 62.858 63.100 0.233 0.000 0.801 46 P CB 1.673 33.552 31.700 0.297 0.000 1.006 47 A N 0.756 123.657 122.820 0.136 0.000 2.498 47 A HA 0.718 5.038 4.320 -0.000 0.000 0.298 47 A C -1.013 176.227 177.584 -0.573 0.000 1.075 47 A CA -0.727 51.185 52.037 -0.207 0.000 0.714 47 A CB 1.580 20.478 19.000 -0.170 0.000 1.299 47 A HN 0.567 nan 8.150 nan 0.000 0.407 48 A N 0.792 122.909 122.820 -1.172 0.000 2.276 48 A HA 0.652 4.971 4.320 -0.000 0.000 0.316 48 A C -0.796 176.457 177.584 -0.551 0.000 1.229 48 A CA -0.398 51.017 52.037 -1.036 0.000 0.851 48 A CB 0.514 18.461 19.000 -1.754 0.000 1.165 48 A HN 1.290 nan 8.150 nan 0.000 0.513 49 V N 4.583 124.303 119.914 -0.323 0.000 2.443 49 V HA 0.317 4.437 4.120 -0.000 0.000 0.293 49 V C -0.300 175.563 176.094 -0.385 0.000 1.021 49 V CA -0.233 61.880 62.300 -0.313 0.000 0.848 49 V CB 1.285 32.971 31.823 -0.229 0.000 0.998 49 V HN 0.819 nan 8.190 nan 0.000 0.424 50 L N 4.796 125.812 121.223 -0.345 0.000 2.307 50 L HA 0.525 4.865 4.340 -0.000 0.000 0.282 50 L C -0.970 175.667 176.870 -0.388 0.000 1.051 50 L CA -0.617 54.075 54.840 -0.247 0.000 0.804 50 L CB 1.234 43.264 42.059 -0.048 0.000 1.197 50 L HN 0.535 nan 8.230 nan 0.000 0.431 51 Y N 1.642 121.971 120.300 0.049 0.000 2.425 51 Y HA 0.238 4.788 4.550 0.000 0.000 0.347 51 Y C 1.090 177.001 175.900 0.017 0.000 0.976 51 Y CA -0.333 57.775 58.100 0.014 0.000 1.190 51 Y CB 1.359 39.824 38.460 0.009 0.000 1.136 51 Y HN 0.728 nan 8.280 nan 0.000 0.517 52 A N 2.179 125.054 122.820 0.092 0.000 1.903 52 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 52 A C 1.764 179.404 177.584 0.094 0.000 1.191 52 A CA 2.448 54.527 52.037 0.071 0.000 0.638 52 A CB -0.378 18.643 19.000 0.034 0.000 0.823 52 A HN 0.774 nan 8.150 nan 0.000 0.451 53 D N -1.038 119.417 120.400 0.092 0.000 2.178 53 D HA -0.066 4.574 4.640 -0.000 0.000 0.202 53 D C 2.214 178.581 176.300 0.112 0.000 0.974 53 D CA 0.936 54.984 54.000 0.081 0.000 0.841 53 D CB -0.261 40.562 40.800 0.039 0.000 0.953 53 D HN 0.478 nan 8.370 nan 0.000 0.478 54 R N 0.091 120.664 120.500 0.122 0.000 2.090 54 R HA 0.004 4.344 4.340 -0.000 0.000 0.228 54 R C 2.237 178.639 176.300 0.170 0.000 1.110 54 R CA 0.439 56.618 56.100 0.132 0.000 0.973 54 R CB -0.245 30.128 30.300 0.122 0.000 0.869 54 R HN 0.091 nan 8.270 nan 0.000 0.440 55 V N 1.176 121.185 119.914 0.158 0.000 2.343 55 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 55 V C 2.212 178.397 176.094 0.152 0.000 1.051 55 V CA 1.938 64.328 62.300 0.151 0.000 1.036 55 V CB -0.370 31.532 31.823 0.133 0.000 0.654 55 V HN 0.242 nan 8.190 nan 0.000 0.451 56 E N -0.155 120.132 120.200 0.144 0.000 2.072 56 E HA -0.215 4.135 4.350 -0.000 0.000 0.190 56 E C 2.074 178.764 176.600 0.150 0.000 0.982 56 E CA 1.605 58.084 56.400 0.131 0.000 0.803 56 E CB -0.411 29.354 29.700 0.108 0.000 0.755 56 E HN 0.791 nan 8.360 nan 0.000 0.453 57 H N 0.043 119.163 119.070 0.083 0.000 2.319 57 H HA -0.077 4.479 4.556 -0.000 0.000 0.299 57 H C 1.621 177.017 175.328 0.114 0.000 1.092 57 H CA 2.286 58.389 56.048 0.092 0.000 1.302 57 H CB -0.084 29.716 29.762 0.063 0.000 1.373 57 H HN 0.112 nan 8.280 nan 0.000 0.497 58 N N 0.218 118.998 118.700 0.133 0.000 2.120 58 N HA -0.125 4.615 4.740 -0.000 0.000 0.188 58 N C 2.109 177.647 175.510 0.047 0.000 1.024 58 N CA 1.354 54.425 53.050 0.036 0.000 0.852 58 N CB -0.407 38.107 38.487 0.045 0.000 1.003 58 N HN 0.378 nan 8.380 nan 0.000 0.424 59 L N 0.623 121.912 121.223 0.111 0.000 2.017 59 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 59 L C 2.106 179.035 176.870 0.099 0.000 1.073 59 L CA 1.097 56.023 54.840 0.144 0.000 0.745 59 L CB -0.310 41.848 42.059 0.165 0.000 0.894 59 L HN 0.009 nan 8.230 nan 0.000 0.432 60 K N -0.676 119.764 120.400 0.068 0.000 2.097 60 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 60 K C 0.728 177.341 176.600 0.021 0.000 1.049 60 K CA 0.622 56.929 56.287 0.035 0.000 0.933 60 K CB -0.561 31.950 32.500 0.019 0.000 0.717 60 K HN 0.212 nan 8.250 nan 0.000 0.442 64 A N 0.649 123.415 122.820 -0.089 0.000 1.933 64 A HA -0.120 4.199 4.320 -0.000 0.000 0.218 64 A C 1.631 179.102 177.584 -0.187 0.000 1.175 64 A CA 1.484 53.419 52.037 -0.171 0.000 0.628 64 A CB -0.784 18.051 19.000 -0.274 0.000 0.814 64 A HN 0.538 nan 8.150 nan 0.000 0.444 65 F N 0.334 120.051 119.950 -0.388 0.000 2.134 65 F HA -0.134 4.394 4.527 0.000 0.000 0.299 65 F C 2.195 177.990 175.800 -0.008 0.000 1.097 65 F CA 1.894 59.735 58.000 -0.266 0.000 1.264 65 F CB -0.129 38.646 39.000 -0.374 0.000 1.001 65 F HN 0.029 nan 8.300 nan 0.000 0.479 66 V N 0.246 120.242 119.914 0.137 0.000 2.427 66 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 66 V C 2.646 178.732 176.094 -0.013 0.000 1.051 66 V CA 1.618 63.981 62.300 0.105 0.000 1.048 66 V CB -1.119 30.802 31.823 0.163 0.000 0.666 66 V HN 0.482 nan 8.190 nan 0.000 0.456 67 A N -0.139 122.651 122.820 -0.051 0.000 1.930 67 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 67 A C 2.162 179.641 177.584 -0.174 0.000 1.175 67 A CA 1.949 53.933 52.037 -0.088 0.000 0.627 67 A CB -0.405 18.547 19.000 -0.080 0.000 0.815 67 A HN 0.568 nan 8.150 nan 0.000 0.443 68 E N -0.841 119.193 120.200 -0.277 0.000 2.047 68 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 68 E C 1.271 177.506 176.600 -0.609 0.000 0.987 68 E CA 1.653 57.759 56.400 -0.490 0.000 0.799 68 E CB -0.390 28.908 29.700 -0.669 0.000 0.752 68 E HN 0.700 nan 8.360 nan 0.000 0.449 69 Y N -1.183 118.910 120.300 -0.345 0.000 2.449 69 Y HA 0.336 4.886 4.550 0.000 0.000 0.254 69 Y C 1.425 177.240 175.900 -0.141 0.000 1.140 69 Y CA 0.300 58.235 58.100 -0.274 0.000 1.272 69 Y CB 0.871 39.071 38.460 -0.433 0.000 1.114 69 Y HN 0.213 nan 8.280 nan 0.000 0.525 70 G N 1.197 109.989 108.800 -0.012 0.000 2.179 70 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.257 70 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.257 70 G C 0.119 175.054 174.900 0.059 0.000 1.010 70 G CA 0.301 45.411 45.100 0.017 0.000 0.736 70 G HN 0.401 nan 8.290 nan 0.000 0.513 71 V N -2.810 117.165 119.914 0.102 0.000 2.546 71 V HA 0.702 4.821 4.120 -0.000 0.000 0.284 71 V C 0.418 176.581 176.094 0.115 0.000 1.050 71 V CA -1.172 61.209 62.300 0.136 0.000 0.981 71 V CB 1.419 33.392 31.823 0.251 0.000 0.990 71 V HN 0.266 nan 8.190 nan 0.000 0.474 72 K N 5.363 125.790 120.400 0.044 0.000 2.234 72 K HA 0.660 4.980 4.320 -0.000 0.000 0.277 72 K C -1.024 175.570 176.600 -0.010 0.000 1.038 72 K CA -0.326 55.959 56.287 -0.003 0.000 0.888 72 K CB 1.390 33.760 32.500 -0.217 0.000 1.091 72 K HN 0.666 nan 8.250 nan 0.000 0.467 73 L N 1.842 123.135 121.223 0.116 0.000 2.346 73 L HA 0.572 4.912 4.340 -0.000 0.000 0.276 73 L C -0.257 176.718 176.870 0.174 0.000 1.006 73 L CA -0.975 53.946 54.840 0.135 0.000 0.817 73 L CB 1.979 44.170 42.059 0.220 0.000 1.272 73 L HN 0.652 nan 8.230 nan 0.000 0.421 74 A N 4.027 126.908 122.820 0.102 0.000 2.802 74 A HA 0.609 4.929 4.320 -0.000 0.000 0.344 74 A C -2.527 175.053 177.584 -0.008 0.000 1.215 74 A CA -1.439 50.664 52.037 0.109 0.000 0.821 74 A CB -0.094 18.996 19.000 0.150 0.000 1.099 74 A HN 0.318 nan 8.150 nan 0.000 0.479 75 P HA -0.005 nan 4.420 nan 0.000 0.268 75 P C -0.344 176.878 177.300 -0.130 0.000 1.205 75 P CA 0.427 63.471 63.100 -0.094 0.000 0.771 75 P CB 0.286 31.781 31.700 -0.340 0.000 0.858 76 H N 0.621 119.627 119.070 -0.108 0.000 2.803 76 H HA 0.269 4.825 4.556 -0.000 0.000 0.330 76 H C 1.630 176.881 175.328 -0.127 0.000 1.057 76 H CA 0.095 56.081 56.048 -0.104 0.000 1.458 76 H CB 0.376 30.109 29.762 -0.047 0.000 1.470 76 H HN 0.573 nan 8.280 nan 0.000 0.560 77 G N 3.482 112.324 108.800 0.069 0.000 3.126 77 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.224 77 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.224 77 G C 1.231 176.324 174.900 0.321 0.000 1.142 77 G CA -0.128 45.012 45.100 0.066 0.000 0.759 77 G HN 0.699 nan 8.290 nan 0.000 0.550 78 K N 0.732 121.332 120.400 0.332 0.000 2.283 78 K HA -0.081 4.239 4.320 -0.000 0.000 0.202 78 K C 2.035 178.801 176.600 0.278 0.000 1.048 78 K CA 1.773 58.203 56.287 0.240 0.000 0.948 78 K CB -0.455 32.078 32.500 0.055 0.000 0.742 78 K HN 0.237 nan 8.250 nan 0.000 0.458 79 T N -1.667 113.012 114.554 0.208 0.000 3.035 79 T HA -0.027 4.323 4.350 -0.000 0.000 0.259 79 T C 1.293 176.215 174.700 0.370 0.000 1.078 79 T CA 0.548 62.788 62.100 0.234 0.000 1.132 79 T CB -0.308 68.604 68.868 0.073 0.000 0.900 79 T HN 0.407 nan 8.240 nan 0.000 0.480 83 P HA -0.195 nan 4.420 nan 0.000 0.219 83 P C 1.519 178.707 177.300 -0.188 0.000 1.146 83 P CA 1.353 64.144 63.100 -0.515 0.000 0.808 83 P CB 0.266 31.852 31.700 -0.191 0.000 0.779 84 Q N -0.797 118.934 119.800 -0.115 0.000 2.096 84 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 84 Q C 2.071 178.064 176.000 -0.010 0.000 0.982 84 Q CA 1.251 57.036 55.803 -0.030 0.000 0.850 84 Q CB -0.636 28.103 28.738 0.001 0.000 0.901 84 Q HN 0.305 nan 8.270 nan 0.000 0.422 85 L N -0.760 120.431 121.223 -0.054 0.000 2.072 85 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 85 L C 2.100 179.051 176.870 0.135 0.000 1.079 85 L CA 0.554 55.409 54.840 0.025 0.000 0.752 85 L CB -0.453 41.609 42.059 0.006 0.000 0.906 85 L HN 0.198 nan 8.230 nan 0.000 0.436 86 F N 0.796 120.744 119.950 -0.003 0.000 2.091 86 F HA -0.203 4.324 4.527 -0.000 0.000 0.299 86 F C 2.757 178.554 175.800 -0.005 0.000 1.103 86 F CA 1.102 59.089 58.000 -0.021 0.000 1.228 86 F CB -1.130 37.858 39.000 -0.020 0.000 0.984 86 F HN 0.010 nan 8.300 nan 0.000 0.477 87 R N -0.188 120.421 120.500 0.182 0.000 2.081 87 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 87 R C 2.365 178.719 176.300 0.090 0.000 1.131 87 R CA 0.939 57.101 56.100 0.102 0.000 0.960 87 R CB -0.267 30.067 30.300 0.057 0.000 0.856 87 R HN 0.119 nan 8.270 nan 0.000 0.436 88 R N 1.103 121.659 120.500 0.094 0.000 2.091 88 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 88 R C 2.181 178.553 176.300 0.119 0.000 1.136 88 R CA 1.465 57.623 56.100 0.097 0.000 0.959 88 R CB -0.509 29.851 30.300 0.099 0.000 0.856 88 R HN 0.467 nan 8.270 nan 0.000 0.437 89 Q N 0.232 120.111 119.800 0.132 0.000 2.061 89 Q HA -0.098 4.242 4.340 -0.000 0.000 0.204 89 Q C 2.304 178.380 176.000 0.126 0.000 0.984 89 Q CA 1.346 57.234 55.803 0.141 0.000 0.846 89 Q CB -0.182 28.592 28.738 0.060 0.000 0.902 89 Q HN 0.275 nan 8.270 nan 0.000 0.421 90 L N 0.363 121.643 121.223 0.095 0.000 2.141 90 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 90 L C 2.020 178.930 176.870 0.067 0.000 1.094 90 L CA 1.063 55.946 54.840 0.071 0.000 0.763 90 L CB -0.243 41.842 42.059 0.044 0.000 0.908 90 L HN 0.196 nan 8.230 nan 0.000 0.437 91 E N -0.517 119.725 120.200 0.069 0.000 2.268 91 E HA -0.141 4.209 4.350 -0.000 0.000 0.195 91 E C 1.438 178.079 176.600 0.067 0.000 0.995 91 E CA 1.495 57.930 56.400 0.058 0.000 0.836 91 E CB 0.055 29.787 29.700 0.053 0.000 0.763 91 E HN 0.514 nan 8.360 nan 0.000 0.491 92 T N -3.480 111.129 114.554 0.092 0.000 3.214 92 T HA 0.432 4.782 4.350 -0.000 0.000 0.264 92 T C 1.085 175.853 174.700 0.114 0.000 1.012 92 T CA 0.102 62.261 62.100 0.098 0.000 0.901 92 T CB 0.909 69.846 68.868 0.115 0.000 1.070 92 T HN 0.193 nan 8.240 nan 0.000 0.561 93 G N 0.776 109.643 108.800 0.111 0.000 2.192 93 G HA2 0.069 4.029 3.960 -0.000 0.000 0.193 93 G HA3 0.069 4.029 3.960 -0.000 0.000 0.193 93 G C 0.343 175.338 174.900 0.158 0.000 0.999 93 G CA -0.327 44.845 45.100 0.120 0.000 0.659 93 G HN 1.075 nan 8.290 nan 0.000 0.503 94 A N -0.381 122.540 122.820 0.169 0.000 2.531 94 A HA 0.416 4.736 4.320 -0.000 0.000 0.236 94 A C 0.859 178.561 177.584 0.197 0.000 1.062 94 A CA 1.219 53.371 52.037 0.192 0.000 0.760 94 A CB 0.101 19.185 19.000 0.141 0.000 0.995 94 A HN 1.277 nan 8.150 nan 0.000 0.501 95 W N 2.639 123.956 121.300 0.028 0.000 2.436 95 W HA 0.330 4.990 4.660 -0.000 0.000 0.284 95 W C 0.739 177.252 176.519 -0.011 0.000 1.225 95 W CA 1.507 58.856 57.345 0.007 0.000 1.271 95 W CB 0.155 29.612 29.460 -0.005 0.000 1.114 95 W HN 0.984 nan 8.180 nan 0.000 0.559 96 G N -0.447 108.451 108.800 0.164 0.000 2.428 96 G HA2 0.351 4.311 3.960 -0.000 0.000 0.304 96 G HA3 0.351 4.311 3.960 -0.000 0.000 0.304 96 G C -1.996 172.911 174.900 0.011 0.000 1.303 96 G CA -0.835 44.243 45.100 -0.037 0.000 0.825 96 G HN -0.122 nan 8.290 nan 0.000 0.484 97 I N 1.047 121.563 120.570 -0.091 0.000 2.465 97 I HA 0.423 4.593 4.170 -0.000 0.000 0.291 97 I C 0.030 176.019 176.117 -0.213 0.000 1.014 97 I CA -0.488 60.669 61.300 -0.238 0.000 1.093 97 I CB 1.401 39.107 38.000 -0.490 0.000 1.267 97 I HN 0.348 nan 8.210 nan 0.000 0.431 98 T N 7.375 121.754 114.554 -0.292 0.000 2.780 98 T HA 0.706 5.056 4.350 -0.000 0.000 0.294 98 T C 0.178 174.530 174.700 -0.580 0.000 0.949 98 T CA -0.164 61.673 62.100 -0.439 0.000 1.074 98 T CB 0.919 69.435 68.868 -0.587 0.000 0.910 98 T HN 0.300 nan 8.240 nan 0.000 0.501 99 L N 1.076 122.100 121.223 -0.332 0.000 2.322 99 L HA 0.747 5.087 4.340 -0.000 0.000 0.252 99 L C 0.945 177.905 176.870 0.149 0.000 1.055 99 L CA -1.145 53.693 54.840 -0.004 0.000 0.849 99 L CB 1.541 43.636 42.059 0.060 0.000 1.446 99 L HN 0.663 nan 8.230 nan 0.000 0.416 100 A N -0.664 122.314 122.820 0.264 0.000 2.070 100 A HA 0.326 4.646 4.320 -0.000 0.000 0.202 100 A C 0.579 178.275 177.584 0.186 0.000 1.277 100 A CA 0.908 53.085 52.037 0.233 0.000 0.872 100 A CB 0.281 19.417 19.000 0.226 0.000 0.933 100 A HN 0.701 nan 8.150 nan 0.000 0.475 101 T N -4.998 109.674 114.554 0.198 0.000 2.906 101 T HA 0.633 4.983 4.350 -0.000 0.000 0.295 101 T C 0.965 175.781 174.700 0.193 0.000 1.061 101 T CA 0.107 62.322 62.100 0.192 0.000 1.000 101 T CB 1.573 70.567 68.868 0.209 0.000 1.103 101 T HN 0.686 nan 8.240 nan 0.000 0.486 102 A N 1.341 124.264 122.820 0.170 0.000 1.903 102 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 102 A C 2.176 179.833 177.584 0.122 0.000 1.191 102 A CA 2.343 54.456 52.037 0.127 0.000 0.638 102 A CB -1.662 17.384 19.000 0.077 0.000 0.823 102 A HN 1.106 nan 8.150 nan 0.000 0.451 103 H N -0.186 118.928 119.070 0.074 0.000 2.319 103 H HA -0.189 4.367 4.556 -0.000 0.000 0.297 103 H C 2.019 177.398 175.328 0.084 0.000 1.097 103 H CA 2.213 58.306 56.048 0.076 0.000 1.285 103 H CB -0.204 29.611 29.762 0.088 0.000 1.368 103 H HN 0.666 nan 8.280 nan 0.000 0.495 104 Q N 0.126 119.873 119.800 -0.088 0.000 2.084 104 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 104 Q C 2.783 178.766 176.000 -0.029 0.000 0.978 104 Q CA 1.539 57.281 55.803 -0.102 0.000 0.844 104 Q CB 0.111 28.912 28.738 0.104 0.000 0.898 104 Q HN 0.284 nan 8.270 nan 0.000 0.426 105 V N 1.071 121.025 119.914 0.066 0.000 2.287 105 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 105 V C 2.345 178.453 176.094 0.024 0.000 1.053 105 V CA 2.200 64.581 62.300 0.135 0.000 1.027 105 V CB -0.643 31.325 31.823 0.241 0.000 0.646 105 V HN 0.343 nan 8.190 nan 0.000 0.447 106 R N 0.216 120.684 120.500 -0.053 0.000 2.081 106 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 106 R C 2.330 178.587 176.300 -0.071 0.000 1.131 106 R CA 1.648 57.706 56.100 -0.069 0.000 0.960 106 R CB -0.473 29.814 30.300 -0.023 0.000 0.856 106 R HN 0.478 nan 8.270 nan 0.000 0.436 107 A N 0.875 123.547 122.820 -0.248 0.000 1.883 107 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 107 A C 2.392 179.742 177.584 -0.391 0.000 1.186 107 A CA 1.887 53.595 52.037 -0.548 0.000 0.624 107 A CB -0.915 17.614 19.000 -0.784 0.000 0.822 107 A HN 0.561 nan 8.150 nan 0.000 0.444 108 A N -1.577 121.170 122.820 -0.122 0.000 1.902 108 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 108 A C 2.153 179.721 177.584 -0.026 0.000 1.181 108 A CA 1.712 53.788 52.037 0.065 0.000 0.623 108 A CB -0.908 18.209 19.000 0.194 0.000 0.818 108 A HN 0.768 nan 8.150 nan 0.000 0.443 109 Y N 0.210 120.377 120.300 -0.223 0.000 2.097 109 Y HA -0.299 4.251 4.550 -0.000 0.000 0.282 109 Y C 2.516 178.162 175.900 -0.423 0.000 1.152 109 Y CA 2.443 60.268 58.100 -0.458 0.000 1.136 109 Y CB -0.363 37.587 38.460 -0.850 0.000 0.975 109 Y HN 0.488 nan 8.280 nan 0.000 0.498 110 H N -1.129 117.853 119.070 -0.146 0.000 2.524 110 H HA 0.039 4.595 4.556 -0.000 0.000 0.282 110 H C 2.036 177.225 175.328 -0.231 0.000 1.016 110 H CA 1.017 56.951 56.048 -0.190 0.000 1.270 110 H CB -0.450 29.270 29.762 -0.072 0.000 1.394 110 H HN 0.508 nan 8.280 nan 0.000 0.568 111 G N -0.564 108.139 108.800 -0.162 0.000 3.088 111 G HA2 0.223 4.183 3.960 -0.000 0.000 0.212 111 G HA3 0.223 4.183 3.960 -0.000 0.000 0.212 111 G C 1.135 175.970 174.900 -0.107 0.000 1.173 111 G CA 0.398 45.431 45.100 -0.112 0.000 0.779 111 G HN 0.545 nan 8.290 nan 0.000 0.540 112 G N -1.095 107.577 108.800 -0.214 0.000 2.131 112 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.223 112 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.223 112 G C 0.205 175.033 174.900 -0.119 0.000 0.990 112 G CA -0.036 44.939 45.100 -0.208 0.000 0.671 112 G HN 0.630 nan 8.290 nan 0.000 0.521 113 V N 1.752 121.630 119.914 -0.060 0.000 2.521 113 V HA 0.442 4.562 4.120 -0.000 0.000 0.286 113 V C 1.598 177.770 176.094 0.130 0.000 1.034 113 V CA 1.036 63.368 62.300 0.054 0.000 1.045 113 V CB 1.469 33.367 31.823 0.126 0.000 0.974 113 V HN 0.913 nan 8.190 nan 0.000 0.480 114 S N 4.434 120.199 115.700 0.109 0.000 2.540 114 S HA 0.247 4.717 4.470 -0.000 0.000 0.218 114 S C 0.588 175.211 174.600 0.039 0.000 0.977 114 S CA -0.331 57.977 58.200 0.179 0.000 0.918 114 S CB 0.153 63.381 63.200 0.046 0.000 0.806 114 S HN 0.717 nan 8.310 nan 0.000 0.496 115 R N 0.616 121.077 120.500 -0.064 0.000 2.510 115 R HA 0.596 4.936 4.340 -0.000 0.000 0.287 115 R C -2.289 173.920 176.300 -0.152 0.000 1.084 115 R CA -0.353 55.584 56.100 -0.272 0.000 0.934 115 R CB 1.953 31.976 30.300 -0.461 0.000 1.201 115 R HN 0.165 nan 8.270 nan 0.000 0.431 116 V N 6.028 125.861 119.914 -0.135 0.000 2.540 116 V HA 0.445 4.565 4.120 -0.000 0.000 0.302 116 V C 0.033 176.130 176.094 0.006 0.000 1.035 116 V CA -0.757 61.552 62.300 0.015 0.000 0.873 116 V CB 1.763 33.737 31.823 0.250 0.000 0.992 116 V HN 0.726 nan 8.190 nan 0.000 0.428 120 N N -0.522 118.209 118.700 0.052 0.000 3.127 120 N HA 0.418 5.158 4.740 -0.000 0.000 0.239 120 N C -1.120 174.438 175.510 0.081 0.000 1.407 120 N CA -0.281 52.815 53.050 0.077 0.000 0.891 120 N CB 1.104 39.652 38.487 0.101 0.000 1.447 120 N HN 0.227 nan 8.380 nan 0.000 0.507 121 Q N 0.462 120.312 119.800 0.082 0.000 2.352 121 Q HA 0.365 4.705 4.340 -0.000 0.000 0.260 121 Q C -0.640 175.420 176.000 0.101 0.000 0.976 121 Q CA -0.058 55.795 55.803 0.084 0.000 0.881 121 Q CB 0.599 29.380 28.738 0.072 0.000 1.235 121 Q HN 0.468 nan 8.270 nan 0.000 0.419 122 L N 3.402 124.694 121.223 0.115 0.000 2.276 122 L HA 0.574 4.914 4.340 -0.000 0.000 0.286 122 L C -1.511 175.409 176.870 0.083 0.000 1.024 122 L CA -0.337 54.579 54.840 0.127 0.000 0.826 122 L CB 1.081 43.256 42.059 0.194 0.000 1.211 122 L HN 0.426 nan 8.230 nan 0.000 0.422 123 V N 4.135 124.079 119.914 0.050 0.000 2.841 123 V HA 0.956 5.076 4.120 -0.000 0.000 0.310 123 V C 0.134 176.218 176.094 -0.018 0.000 1.090 123 V CA -0.209 62.103 62.300 0.020 0.000 0.930 123 V CB 1.475 33.317 31.823 0.032 0.000 1.014 123 V HN 1.046 nan 8.190 nan 0.000 0.425 124 G N 3.108 111.876 108.800 -0.053 0.000 3.067 124 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.686 124 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.686 124 G C 0.019 174.813 174.900 -0.177 0.000 1.119 124 G CA 0.165 45.218 45.100 -0.078 0.000 0.790 124 G HN 0.938 nan 8.290 nan 0.000 0.605 125 R N 1.184 121.576 120.500 -0.180 0.000 2.091 125 R HA -0.125 4.215 4.340 -0.000 0.000 0.238 125 R C 2.621 178.731 176.300 -0.316 0.000 1.136 125 R CA 2.178 58.098 56.100 -0.300 0.000 0.959 125 R CB -0.160 30.077 30.300 -0.105 0.000 0.856 125 R HN 0.516 nan 8.270 nan 0.000 0.437 126 R N 1.229 121.636 120.500 -0.155 0.000 2.075 126 R HA -0.005 4.335 4.340 -0.000 0.000 0.232 126 R C 0.357 176.586 176.300 -0.120 0.000 1.126 126 R CA 1.180 57.215 56.100 -0.108 0.000 0.963 126 R CB -0.591 29.681 30.300 -0.046 0.000 0.858 126 R HN 0.245 nan 8.270 nan 0.000 0.435 132 A N 0.628 123.515 122.820 0.110 0.000 1.903 132 A HA -0.305 4.015 4.320 -0.000 0.000 0.219 132 A C 1.793 179.387 177.584 0.015 0.000 1.191 132 A CA 2.708 54.848 52.037 0.171 0.000 0.638 132 A CB -0.528 18.539 19.000 0.111 0.000 0.823 132 A HN 0.721 nan 8.150 nan 0.000 0.451 133 E N -0.295 119.876 120.200 -0.049 0.000 2.130 133 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 133 E C 1.848 178.321 176.600 -0.212 0.000 0.998 133 E CA 1.368 57.709 56.400 -0.099 0.000 0.806 133 E CB -0.323 29.324 29.700 -0.088 0.000 0.738 133 E HN 0.704 nan 8.360 nan 0.000 0.459 134 L N 0.282 121.302 121.223 -0.338 0.000 2.240 134 L HA -0.071 4.269 4.340 -0.000 0.000 0.211 134 L C 2.089 178.770 176.870 -0.315 0.000 1.106 134 L CA 0.452 54.894 54.840 -0.662 0.000 0.793 134 L CB -0.256 41.263 42.059 -0.900 0.000 0.927 134 L HN 0.151 nan 8.230 nan 0.000 0.446 135 L N -0.751 120.421 121.223 -0.084 0.000 2.622 135 L HA -0.051 4.289 4.340 -0.000 0.000 0.233 135 L C 2.174 179.058 176.870 0.023 0.000 1.156 135 L CA 0.243 55.110 54.840 0.045 0.000 0.866 135 L CB -0.393 41.710 42.059 0.072 0.000 0.980 135 L HN 0.170 nan 8.230 nan 0.000 0.448 136 S N -1.278 114.405 115.700 -0.028 0.000 2.522 136 S HA -0.066 4.404 4.470 -0.000 0.000 0.227 136 S C 0.727 175.332 174.600 0.009 0.000 0.986 136 S CA 0.326 58.520 58.200 -0.011 0.000 0.929 136 S CB -0.244 62.939 63.200 -0.028 0.000 0.769 136 S HN 0.335 nan 8.310 nan 0.000 0.529 137 D N 2.131 122.541 120.400 0.016 0.000 2.380 137 D HA 0.159 4.799 4.640 -0.000 0.000 0.230 137 D C -1.671 174.703 176.300 0.124 0.000 1.154 137 D CA -2.137 51.919 54.000 0.093 0.000 0.859 137 D CB 1.450 42.361 40.800 0.184 0.000 1.045 137 D HN 0.070 nan 8.370 nan 0.000 0.495 138 P HA -0.047 nan 4.420 nan 0.000 0.230 138 P C 0.527 177.865 177.300 0.064 0.000 1.158 138 P CA 0.533 63.669 63.100 0.060 0.000 0.769 138 P CB 0.611 32.332 31.700 0.035 0.000 0.807 139 E N -1.087 119.171 120.200 0.097 0.000 2.489 139 E HA 0.058 4.408 4.350 -0.000 0.000 0.193 139 E C 0.134 176.823 176.600 0.148 0.000 1.057 139 E CA -0.174 56.277 56.400 0.085 0.000 0.866 139 E CB -0.337 29.403 29.700 0.067 0.000 0.916 139 E HN 0.282 nan 8.360 nan 0.000 0.500 140 F N 1.869 121.838 119.950 0.031 0.000 2.408 140 F HA 0.269 4.796 4.527 -0.000 0.000 0.344 140 F C 0.108 175.899 175.800 -0.015 0.000 1.112 140 F CA -1.232 56.798 58.000 0.050 0.000 1.096 140 F CB 0.909 39.998 39.000 0.147 0.000 1.129 140 F HN -0.278 nan 8.300 nan 0.000 0.486 141 E N 6.179 125.994 120.200 -0.642 0.000 2.171 141 E HA 0.381 4.731 4.350 -0.000 0.000 0.271 141 E C -1.987 174.064 176.600 -0.915 0.000 0.916 141 E CA -0.659 55.346 56.400 -0.658 0.000 0.774 141 E CB 1.265 30.684 29.700 -0.467 0.000 1.128 141 E HN 0.557 nan 8.360 nan 0.000 0.403 142 F N 4.488 123.895 119.950 -0.905 0.000 2.563 142 F HA 0.627 5.154 4.527 0.000 0.000 0.316 142 F C -1.841 173.544 175.800 -0.691 0.000 1.076 142 F CA -0.743 56.865 58.000 -0.652 0.000 0.921 142 F CB 1.095 39.861 39.000 -0.389 0.000 1.209 142 F HN 0.408 nan 8.300 nan 0.000 0.462 143 F N 3.867 123.164 119.950 -1.087 0.000 2.578 143 F HA 0.608 5.135 4.527 0.000 0.000 0.311 143 F C -0.199 174.943 175.800 -1.097 0.000 1.094 143 F CA -1.047 56.486 58.000 -0.778 0.000 0.923 143 F CB 1.318 40.093 39.000 -0.374 0.000 1.230 143 F HN 0.791 nan 8.300 nan 0.000 0.450 144 C N 0.944 120.025 119.300 -0.364 0.000 3.028 144 C HA 0.913 5.373 4.460 -0.000 0.000 0.338 144 C C -0.930 174.049 174.990 -0.018 0.000 1.366 144 C CA -1.300 57.629 59.018 -0.149 0.000 1.610 144 C CB 1.317 29.103 27.740 0.077 0.000 2.063 144 C HN 0.793 nan 8.230 nan 0.000 0.463 145 L N 1.939 123.174 121.223 0.019 0.000 2.325 145 L HA 0.788 5.128 4.340 -0.000 0.000 0.278 145 L C -0.138 176.764 176.870 0.054 0.000 1.023 145 L CA -0.560 54.301 54.840 0.035 0.000 0.811 145 L CB 1.647 43.729 42.059 0.038 0.000 1.249 145 L HN 0.801 nan 8.230 nan 0.000 0.431 146 V N -1.282 118.666 119.914 0.057 0.000 2.604 146 V HA 0.568 4.688 4.120 -0.000 0.000 0.305 146 V C -0.563 175.570 176.094 0.064 0.000 1.043 146 V CA -0.524 61.812 62.300 0.062 0.000 0.888 146 V CB 1.805 33.665 31.823 0.061 0.000 0.995 146 V HN 0.891 nan 8.190 nan 0.000 0.429 147 D N 1.612 122.050 120.400 0.064 0.000 2.562 147 D HA 0.232 4.872 4.640 -0.000 0.000 0.246 147 D C 0.145 176.480 176.300 0.058 0.000 1.347 147 D CA 0.643 54.682 54.000 0.064 0.000 0.800 147 D CB 0.471 41.313 40.800 0.069 0.000 1.111 147 D HN 1.008 nan 8.370 nan 0.000 0.508 148 S N -1.420 114.314 115.700 0.058 0.000 2.537 148 S HA 0.367 4.837 4.470 -0.000 0.000 0.271 148 S C 0.630 175.266 174.600 0.060 0.000 1.148 148 S CA -0.452 57.781 58.200 0.054 0.000 0.868 148 S CB 1.507 64.738 63.200 0.051 0.000 1.115 148 S HN -0.202 nan 8.310 nan 0.000 0.461 149 V N 1.499 121.449 119.914 0.060 0.000 2.343 149 V HA -0.100 4.020 4.120 -0.000 0.000 0.247 149 V C 2.773 178.913 176.094 0.076 0.000 1.051 149 V CA 2.515 64.859 62.300 0.073 0.000 1.036 149 V CB -1.076 30.787 31.823 0.068 0.000 0.654 149 V HN 1.027 nan 8.190 nan 0.000 0.451 150 E N 1.114 121.352 120.200 0.063 0.000 2.085 150 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 150 E C 2.202 178.836 176.600 0.056 0.000 0.994 150 E CA 1.777 58.213 56.400 0.060 0.000 0.801 150 E CB -0.848 28.882 29.700 0.050 0.000 0.743 150 E HN 0.489 nan 8.360 nan 0.000 0.453 151 G N -0.329 108.503 108.800 0.054 0.000 2.408 151 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 151 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 151 G C 1.729 176.656 174.900 0.045 0.000 1.150 151 G CA 0.888 46.019 45.100 0.051 0.000 0.776 151 G HN 0.258 nan 8.290 nan 0.000 0.542 152 V N 0.682 120.625 119.914 0.049 0.000 2.358 152 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 152 V C 2.681 178.752 176.094 -0.039 0.000 1.047 152 V CA 2.143 64.463 62.300 0.033 0.000 1.035 152 V CB -0.438 31.434 31.823 0.082 0.000 0.658 152 V HN 0.460 nan 8.190 nan 0.000 0.452 153 E N -0.310 119.908 120.200 0.030 0.000 2.077 153 E HA -0.267 4.083 4.350 -0.000 0.000 0.193 153 E C 2.335 178.902 176.600 -0.055 0.000 0.989 153 E CA 1.345 57.759 56.400 0.024 0.000 0.800 153 E CB -0.166 29.625 29.700 0.152 0.000 0.746 153 E HN 0.660 nan 8.360 nan 0.000 0.452 154 Q N 0.430 120.236 119.800 0.010 0.000 2.084 154 Q HA -0.156 4.183 4.340 -0.000 0.000 0.202 154 Q C 2.362 178.398 176.000 0.060 0.000 0.978 154 Q CA 1.034 56.859 55.803 0.037 0.000 0.844 154 Q CB -0.082 28.683 28.738 0.045 0.000 0.898 154 Q HN 0.306 nan 8.270 nan 0.000 0.426 155 L N -0.313 120.941 121.223 0.052 0.000 1.994 155 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 155 L C 2.458 179.399 176.870 0.118 0.000 1.071 155 L CA 1.233 56.183 54.840 0.182 0.000 0.745 155 L CB -0.980 41.152 42.059 0.121 0.000 0.892 155 L HN 0.352 nan 8.230 nan 0.000 0.431 156 G N -0.441 108.163 108.800 -0.327 0.000 2.491 156 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 156 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 156 G C 1.440 176.110 174.900 -0.383 0.000 1.180 156 G CA 0.657 45.252 45.100 -0.842 0.000 0.774 156 G HN 0.286 nan 8.290 nan 0.000 0.562 157 E N -0.011 120.044 120.200 -0.241 0.000 2.051 157 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 157 E C 2.111 178.729 176.600 0.030 0.000 0.991 157 E CA 0.658 57.077 56.400 0.032 0.000 0.799 157 E CB -0.484 29.265 29.700 0.081 0.000 0.748 157 E HN 0.491 nan 8.360 nan 0.000 0.449 158 F N 0.570 120.486 119.950 -0.057 0.000 2.060 158 F HA -0.185 4.342 4.527 -0.000 0.000 0.295 158 F C 2.153 177.828 175.800 -0.208 0.000 1.120 158 F CA 1.347 59.260 58.000 -0.145 0.000 1.205 158 F CB -0.445 38.423 39.000 -0.220 0.000 0.986 158 F HN -0.108 nan 8.300 nan 0.000 0.470 159 F N 0.862 120.837 119.950 0.041 0.000 2.216 159 F HA -0.130 4.397 4.527 0.000 0.000 0.300 159 F C 2.466 178.209 175.800 -0.094 0.000 1.085 159 F CA 1.722 59.705 58.000 -0.028 0.000 1.326 159 F CB -0.732 38.315 39.000 0.079 0.000 1.027 159 F HN -0.057 nan 8.300 nan 0.000 0.497 160 K N 0.552 120.998 120.400 0.076 0.000 2.057 160 K HA -0.193 4.127 4.320 -0.000 0.000 0.207 160 K C 2.302 178.866 176.600 -0.060 0.000 1.049 160 K CA 1.667 57.984 56.287 0.049 0.000 0.931 160 K CB -0.267 32.309 32.500 0.127 0.000 0.714 160 K HN 0.270 nan 8.250 nan 0.000 0.440 161 S N -0.004 115.596 115.700 -0.167 0.000 2.447 161 S HA -0.077 4.393 4.470 -0.000 0.000 0.233 161 S C 1.631 176.055 174.600 -0.293 0.000 1.006 161 S CA 0.885 58.952 58.200 -0.223 0.000 0.957 161 S CB -0.155 62.879 63.200 -0.277 0.000 0.773 161 S HN 0.250 nan 8.310 nan 0.000 0.507 162 V N -1.761 117.920 119.914 -0.388 0.000 3.444 162 V HA 0.382 4.502 4.120 -0.000 0.000 0.308 162 V C 0.186 176.197 176.094 -0.139 0.000 1.371 162 V CA -0.249 61.863 62.300 -0.312 0.000 1.141 162 V CB -1.441 30.101 31.823 -0.467 0.000 1.037 162 V HN 0.449 nan 8.190 nan 0.000 0.433 163 N N 1.128 119.778 118.700 -0.083 0.000 2.725 163 N HA -0.171 4.569 4.740 -0.000 0.000 0.249 163 N C -0.063 175.464 175.510 0.028 0.000 1.103 163 N CA 1.196 54.236 53.050 -0.016 0.000 0.707 163 N CB -0.782 37.691 38.487 -0.023 0.000 1.043 163 N HN 0.713 nan 8.380 nan 0.000 0.553 164 K N 0.684 121.134 120.400 0.082 0.000 2.306 164 K HA 0.467 4.787 4.320 -0.000 0.000 0.236 164 K C 0.159 176.861 176.600 0.171 0.000 1.013 164 K CA -0.572 55.804 56.287 0.148 0.000 0.857 164 K CB 1.658 34.299 32.500 0.235 0.000 1.214 164 K HN 0.049 nan 8.250 nan 0.000 0.449 165 Q N 0.835 120.694 119.800 0.099 0.000 2.306 165 Q HA 0.555 4.895 4.340 -0.000 0.000 0.265 165 Q C -1.303 174.649 176.000 -0.080 0.000 1.022 165 Q CA -1.053 54.767 55.803 0.029 0.000 0.853 165 Q CB 2.128 30.875 28.738 0.014 0.000 1.327 165 Q HN 0.277 nan 8.270 nan 0.000 0.449 166 L N 1.162 122.287 121.223 -0.163 0.000 2.436 166 L HA 0.308 4.648 4.340 -0.000 0.000 0.268 166 L C -1.303 175.479 176.870 -0.146 0.000 0.974 166 L CA -0.176 54.501 54.840 -0.272 0.000 0.826 166 L CB 2.173 43.843 42.059 -0.648 0.000 1.291 166 L HN 0.552 nan 8.230 nan 0.000 0.406 167 Q N 3.826 123.542 119.800 -0.140 0.000 2.267 167 Q HA 0.597 4.937 4.340 -0.000 0.000 0.255 167 Q C -0.736 175.242 176.000 -0.037 0.000 0.923 167 Q CA -0.566 55.168 55.803 -0.116 0.000 0.925 167 Q CB 2.002 30.549 28.738 -0.319 0.000 1.195 167 Q HN 0.602 nan 8.270 nan 0.000 0.417 168 V N 0.546 120.484 119.914 0.041 0.000 2.769 168 V HA 0.656 4.776 4.120 -0.000 0.000 0.312 168 V C -0.773 175.389 176.094 0.113 0.000 1.061 168 V CA -1.110 61.229 62.300 0.065 0.000 0.931 168 V CB 1.593 33.444 31.823 0.048 0.000 1.010 168 V HN 0.618 nan 8.190 nan 0.000 0.433 169 L N 3.825 125.099 121.223 0.085 0.000 2.322 169 L HA 0.525 4.864 4.340 -0.000 0.000 0.281 169 L C -0.363 176.545 176.870 0.063 0.000 1.014 169 L CA -0.840 54.038 54.840 0.064 0.000 0.815 169 L CB 1.703 43.754 42.059 -0.013 0.000 1.247 169 L HN 0.651 nan 8.230 nan 0.000 0.421 170 L N 3.595 124.869 121.223 0.085 0.000 2.477 170 L HA 0.100 4.439 4.340 -0.000 0.000 0.272 170 L C 0.347 177.253 176.870 0.059 0.000 1.157 170 L CA 0.616 55.502 54.840 0.076 0.000 0.889 170 L CB 0.368 42.478 42.059 0.085 0.000 1.158 170 L HN 0.614 nan 8.230 nan 0.000 0.473 171 E N 5.790 126.029 120.200 0.065 0.000 2.146 171 E HA 0.330 4.680 4.350 -0.000 0.000 0.282 171 E C -1.261 175.401 176.600 0.103 0.000 0.989 171 E CA -0.627 55.818 56.400 0.076 0.000 0.799 171 E CB 0.681 30.430 29.700 0.082 0.000 1.088 171 E HN 0.684 nan 8.360 nan 0.000 0.397 172 L N 4.013 125.310 121.223 0.124 0.000 2.312 172 L HA 0.558 4.898 4.340 -0.000 0.000 0.281 172 L C 0.720 177.810 176.870 0.367 0.000 1.070 172 L CA -0.556 54.411 54.840 0.211 0.000 0.805 172 L CB 1.372 43.555 42.059 0.207 0.000 1.174 172 L HN 0.641 nan 8.230 nan 0.000 0.434 173 G N 1.631 110.603 108.800 0.286 0.000 3.013 173 G HA2 0.754 4.714 3.960 -0.000 0.000 0.278 173 G HA3 0.754 4.714 3.960 -0.000 0.000 0.278 173 G C -1.028 173.790 174.900 -0.138 0.000 1.353 173 G CA -0.496 44.706 45.100 0.169 0.000 1.043 173 G HN 0.520 nan 8.290 nan 0.000 0.523 174 V N -3.203 116.545 119.914 -0.278 0.000 2.925 174 V HA 0.739 4.859 4.120 -0.000 0.000 0.311 174 V C -2.899 173.077 176.094 -0.197 0.000 1.104 174 V CA -2.625 59.439 62.300 -0.393 0.000 0.954 174 V CB 1.846 33.261 31.823 -0.679 0.000 1.022 174 V HN 0.533 nan 8.190 nan 0.000 0.427 175 P HA 0.273 nan 4.420 nan 0.000 0.264 175 P C 1.049 178.299 177.300 -0.084 0.000 1.183 175 P CA 1.955 64.999 63.100 -0.094 0.000 0.763 175 P CB 0.661 32.312 31.700 -0.082 0.000 0.807 176 G N 1.791 110.562 108.800 -0.049 0.000 2.166 176 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.260 176 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.260 176 G C 0.691 175.574 174.900 -0.028 0.000 0.986 176 G CA 0.176 45.256 45.100 -0.032 0.000 0.683 176 G HN 0.867 nan 8.290 nan 0.000 0.527 177 G N -1.053 107.724 108.800 -0.038 0.000 2.714 177 G HA2 0.627 4.587 3.960 -0.000 0.000 0.197 177 G HA3 0.627 4.587 3.960 -0.000 0.000 0.197 177 G C 0.676 175.596 174.900 0.033 0.000 1.449 177 G CA 0.528 45.619 45.100 -0.015 0.000 1.065 177 G HN 0.519 nan 8.290 nan 0.000 0.575 178 R N -1.471 119.072 120.500 0.073 0.000 1.634 178 R HA 0.335 4.675 4.340 -0.000 0.000 0.119 178 R C 1.288 177.636 176.300 0.080 0.000 1.930 178 R CA 0.676 56.831 56.100 0.090 0.000 1.862 178 R CB -0.323 30.058 30.300 0.135 0.000 1.272 178 R HN 0.605 nan 8.270 nan 0.000 0.535 179 T N -1.871 112.744 114.554 0.102 0.000 2.880 179 T HA 0.673 5.023 4.350 -0.000 0.000 0.279 179 T C 0.280 175.044 174.700 0.105 0.000 0.990 179 T CA -0.212 61.942 62.100 0.091 0.000 0.938 179 T CB 1.245 70.167 68.868 0.089 0.000 1.206 179 T HN 0.784 nan 8.240 nan 0.000 0.573 180 G N -0.510 108.348 108.800 0.096 0.000 2.697 180 G HA2 0.224 4.184 3.960 -0.000 0.000 0.686 180 G HA3 0.224 4.184 3.960 -0.000 0.000 0.686 180 G C -0.407 174.545 174.900 0.085 0.000 1.179 180 G CA -0.649 44.517 45.100 0.110 0.000 0.765 180 G HN 1.893 nan 8.290 nan 0.000 0.649 181 V N 0.435 120.400 119.914 0.085 0.000 2.673 181 V HA 0.502 4.622 4.120 -0.000 0.000 0.303 181 V C 1.477 177.604 176.094 0.056 0.000 1.046 181 V CA 0.201 62.540 62.300 0.064 0.000 1.126 181 V CB 1.278 33.138 31.823 0.061 0.000 0.934 181 V HN 0.847 nan 8.190 nan 0.000 0.487 182 R N 2.535 123.053 120.500 0.030 0.000 2.112 182 R HA 0.208 4.548 4.340 -0.000 0.000 0.216 182 R C 0.267 176.569 176.300 0.003 0.000 1.080 182 R CA 1.132 57.234 56.100 0.003 0.000 0.996 182 R CB -0.518 29.777 30.300 -0.007 0.000 0.902 182 R HN 1.089 nan 8.270 nan 0.000 0.449 183 D N -2.808 117.601 120.400 0.016 0.000 2.744 183 D HA 0.355 4.995 4.640 -0.000 0.000 0.304 183 D C 0.367 176.679 176.300 0.021 0.000 1.179 183 D CA -0.246 53.763 54.000 0.014 0.000 1.024 183 D CB 0.192 40.995 40.800 0.005 0.000 1.453 183 D HN -0.133 nan 8.370 nan 0.000 0.529 184 A N -0.065 122.764 122.820 0.016 0.000 1.933 184 A HA 0.180 4.499 4.320 -0.000 0.000 0.218 184 A C 2.104 179.696 177.584 0.013 0.000 1.175 184 A CA 2.456 54.502 52.037 0.015 0.000 0.628 184 A CB -1.331 17.675 19.000 0.010 0.000 0.814 184 A HN 0.706 nan 8.150 nan 0.000 0.444 185 A N -0.832 121.995 122.820 0.012 0.000 1.858 185 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 185 A C 2.212 179.806 177.584 0.017 0.000 1.190 185 A CA 1.830 53.875 52.037 0.012 0.000 0.617 185 A CB -0.719 18.287 19.000 0.011 0.000 0.827 185 A HN 0.613 nan 8.150 nan 0.000 0.443 186 Q N -0.875 118.937 119.800 0.020 0.000 2.096 186 Q HA -0.229 4.111 4.340 -0.000 0.000 0.204 186 Q C 2.419 178.438 176.000 0.031 0.000 0.982 186 Q CA 1.754 57.573 55.803 0.026 0.000 0.850 186 Q CB -0.159 28.596 28.738 0.028 0.000 0.901 186 Q HN 0.654 nan 8.270 nan 0.000 0.422 187 R N -0.011 120.507 120.500 0.030 0.000 2.083 187 R HA -0.154 4.186 4.340 -0.000 0.000 0.237 187 R C 1.755 178.069 176.300 0.023 0.000 1.137 187 R CA 1.740 57.859 56.100 0.031 0.000 0.951 187 R CB -0.083 30.235 30.300 0.030 0.000 0.851 187 R HN 0.353 nan 8.270 nan 0.000 0.434 188 N N 0.266 118.975 118.700 0.016 0.000 2.270 188 N HA -0.104 4.636 4.740 -0.000 0.000 0.181 188 N C 1.543 177.063 175.510 0.016 0.000 1.016 188 N CA 1.211 54.266 53.050 0.009 0.000 0.870 188 N CB -0.201 38.288 38.487 0.004 0.000 0.979 188 N HN 0.284 nan 8.380 nan 0.000 0.431 189 A N 0.858 123.692 122.820 0.022 0.000 1.898 189 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 189 A C 2.512 180.121 177.584 0.041 0.000 1.181 189 A CA 1.165 53.219 52.037 0.029 0.000 0.620 189 A CB -0.727 18.291 19.000 0.030 0.000 0.819 189 A HN 0.083 nan 8.150 nan 0.000 0.442 190 V N 0.155 120.095 119.914 0.043 0.000 2.295 190 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 190 V C 2.586 178.712 176.094 0.054 0.000 1.049 190 V CA 1.999 64.331 62.300 0.054 0.000 1.024 190 V CB -0.826 31.030 31.823 0.054 0.000 0.648 190 V HN 0.569 nan 8.190 nan 0.000 0.447 191 L N 0.114 121.358 121.223 0.036 0.000 2.042 191 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 191 L C 2.836 179.722 176.870 0.028 0.000 1.076 191 L CA 2.094 56.948 54.840 0.024 0.000 0.749 191 L CB -0.770 41.285 42.059 -0.006 0.000 0.893 191 L HN 0.417 nan 8.230 nan 0.000 0.432 192 E N 0.030 120.245 120.200 0.025 0.000 2.077 192 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 192 E C 2.238 178.864 176.600 0.043 0.000 0.989 192 E CA 1.131 57.544 56.400 0.022 0.000 0.800 192 E CB -0.243 29.467 29.700 0.016 0.000 0.746 192 E HN 0.569 nan 8.360 nan 0.000 0.452 193 A N 0.437 123.300 122.820 0.071 0.000 1.902 193 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 193 A C 2.364 180.065 177.584 0.196 0.000 1.181 193 A CA 1.663 53.776 52.037 0.127 0.000 0.623 193 A CB -0.707 18.376 19.000 0.138 0.000 0.818 193 A HN 0.547 nan 8.150 nan 0.000 0.443 194 I N 0.398 121.060 120.570 0.153 0.000 2.194 194 I HA -0.280 3.890 4.170 -0.000 0.000 0.246 194 I C 2.744 178.952 176.117 0.151 0.000 1.093 194 I CA 1.955 63.354 61.300 0.166 0.000 1.355 194 I CB -0.489 37.573 38.000 0.103 0.000 1.046 194 I HN 0.562 nan 8.210 nan 0.000 0.413 195 T N -1.646 112.954 114.554 0.077 0.000 3.113 195 T HA -0.058 4.292 4.350 -0.000 0.000 0.263 195 T C 1.752 176.445 174.700 -0.012 0.000 1.143 195 T CA 0.470 62.590 62.100 0.033 0.000 1.090 195 T CB -0.314 68.557 68.868 0.006 0.000 0.922 195 T HN 0.331 nan 8.240 nan 0.000 0.521 196 R N -0.268 120.204 120.500 -0.047 0.000 2.307 196 R HA 0.088 4.428 4.340 -0.000 0.000 0.199 196 R C -0.150 175.824 176.300 -0.544 0.000 1.000 196 R CA 0.563 56.498 56.100 -0.274 0.000 1.023 196 R CB -0.055 30.038 30.300 -0.345 0.000 0.908 196 R HN 0.531 nan 8.270 nan 0.000 0.473 197 Y N 0.395 120.717 120.300 0.035 0.000 2.553 197 Y HA 0.243 4.792 4.550 -0.000 0.000 0.369 197 Y C -1.606 174.315 175.900 0.035 0.000 0.964 197 Y CA -2.404 55.721 58.100 0.042 0.000 1.156 197 Y CB 0.852 39.348 38.460 0.060 0.000 1.218 197 Y HN -0.030 nan 8.280 nan 0.000 0.630 198 P HA -0.130 nan 4.420 nan 0.000 0.220 198 P C 0.253 177.594 177.300 0.068 0.000 1.148 198 P CA 1.538 64.674 63.100 0.060 0.000 0.803 198 P CB 0.567 32.279 31.700 0.020 0.000 0.782 199 D N -1.557 118.889 120.400 0.078 0.000 2.363 199 D HA 0.077 4.717 4.640 -0.000 0.000 0.214 199 D C 1.045 177.397 176.300 0.086 0.000 1.093 199 D CA 0.489 54.529 54.000 0.068 0.000 0.837 199 D CB 0.632 41.464 40.800 0.053 0.000 0.948 199 D HN 0.169 nan 8.370 nan 0.000 0.507 200 T N -0.206 114.422 114.554 0.124 0.000 3.221 200 T HA 0.219 4.569 4.350 -0.000 0.000 0.250 200 T C 0.918 175.670 174.700 0.087 0.000 0.988 200 T CA -0.050 62.127 62.100 0.128 0.000 1.163 200 T CB 0.962 69.945 68.868 0.192 0.000 1.098 200 T HN -0.062 nan 8.240 nan 0.000 0.422 201 L N 2.546 123.837 121.223 0.114 0.000 2.292 201 L HA 0.488 4.828 4.340 -0.000 0.000 0.284 201 L C -0.328 176.580 176.870 0.063 0.000 1.065 201 L CA -0.681 54.195 54.840 0.061 0.000 0.806 201 L CB 0.665 42.771 42.059 0.079 0.000 1.175 201 L HN -0.107 nan 8.230 nan 0.000 0.431 202 K N 4.230 124.651 120.400 0.035 0.000 2.507 202 K HA 0.336 4.656 4.320 -0.000 0.000 0.253 202 K C -0.816 175.833 176.600 0.082 0.000 0.969 202 K CA -0.896 55.422 56.287 0.051 0.000 0.908 202 K CB 2.057 34.569 32.500 0.020 0.000 1.127 202 K HN 0.333 nan 8.250 nan 0.000 0.437 203 L N 2.817 124.113 121.223 0.122 0.000 2.530 203 L HA 0.071 4.410 4.340 -0.000 0.000 0.273 203 L C 0.831 177.864 176.870 0.273 0.000 1.141 203 L CA 0.684 55.637 54.840 0.188 0.000 0.905 203 L CB 0.354 42.522 42.059 0.182 0.000 1.202 203 L HN 0.776 nan 8.230 nan 0.000 0.473 204 A N 3.497 126.447 122.820 0.217 0.000 2.343 204 A HA 0.717 5.037 4.320 -0.000 0.000 0.223 204 A C 0.862 178.412 177.584 -0.056 0.000 1.214 204 A CA 0.571 52.703 52.037 0.158 0.000 0.900 204 A CB -0.202 18.976 19.000 0.297 0.000 0.942 204 A HN 1.016 nan 8.150 nan 0.000 0.507 205 G N -1.903 106.893 108.800 -0.007 0.000 2.368 205 G HA2 0.394 4.354 3.960 -0.000 0.000 0.269 205 G HA3 0.394 4.354 3.960 -0.000 0.000 0.269 205 G C -1.711 173.218 174.900 0.049 0.000 1.291 205 G CA 0.089 45.048 45.100 -0.235 0.000 0.903 205 G HN 0.617 nan 8.290 nan 0.000 0.483 206 V N 0.821 120.696 119.914 -0.065 0.000 2.709 206 V HA 0.779 4.899 4.120 -0.000 0.000 0.308 206 V C -0.614 175.427 176.094 -0.089 0.000 1.062 206 V CA -0.644 61.647 62.300 -0.015 0.000 0.901 206 V CB 1.815 33.646 31.823 0.013 0.000 1.003 206 V HN 0.873 nan 8.190 nan 0.000 0.425 207 E N 3.901 124.073 120.200 -0.048 0.000 2.317 207 E HA 0.727 5.077 4.350 -0.000 0.000 0.270 207 E C -2.152 174.435 176.600 -0.021 0.000 0.885 207 E CA -0.576 55.794 56.400 -0.050 0.000 0.760 207 E CB 2.456 32.127 29.700 -0.049 0.000 1.227 207 E HN 0.532 nan 8.360 nan 0.000 0.434 208 L N 0.678 121.885 121.223 -0.027 0.000 2.469 208 L HA 0.526 4.866 4.340 -0.000 0.000 0.256 208 L C -1.318 175.601 176.870 0.082 0.000 1.006 208 L CA -1.157 53.663 54.840 -0.035 0.000 0.832 208 L CB 0.232 42.044 42.059 -0.411 0.000 1.421 208 L HN 0.490 nan 8.230 nan 0.000 0.410 209 Y N 2.268 122.594 120.300 0.044 0.000 2.478 209 Y HA 0.431 4.981 4.550 -0.000 0.000 0.329 209 Y C 1.204 177.196 175.900 0.154 0.000 0.967 209 Y CA -0.821 57.329 58.100 0.083 0.000 1.255 209 Y CB 0.992 39.519 38.460 0.112 0.000 1.103 209 Y HN 0.895 nan 8.280 nan 0.000 0.497 210 E N 2.382 122.412 120.200 -0.283 0.000 2.274 210 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 210 E C 1.286 177.619 176.600 -0.445 0.000 0.996 210 E CA 1.021 57.267 56.400 -0.256 0.000 0.840 210 E CB -0.275 29.217 29.700 -0.346 0.000 0.772 210 E HN 0.862 nan 8.360 nan 0.000 0.491 211 G N 2.030 110.359 108.800 -0.785 0.000 3.124 211 G HA2 0.061 4.021 3.960 -0.000 0.000 0.212 211 G HA3 0.061 4.021 3.960 -0.000 0.000 0.212 211 G C 1.547 176.240 174.900 -0.345 0.000 1.181 211 G CA 0.567 45.409 45.100 -0.430 0.000 0.803 211 G HN 0.258 nan 8.290 nan 0.000 0.529 212 V N -1.475 118.206 119.914 -0.389 0.000 2.626 212 V HA 0.179 4.299 4.120 -0.000 0.000 0.252 212 V C 1.302 177.349 176.094 -0.077 0.000 1.067 212 V CA 0.560 62.814 62.300 -0.077 0.000 1.081 212 V CB -0.680 31.139 31.823 -0.007 0.000 0.686 212 V HN 0.191 nan 8.190 nan 0.000 0.468 213 L N 0.086 121.217 121.223 -0.153 0.000 2.375 213 L HA 0.404 4.744 4.340 -0.000 0.000 0.271 213 L C 1.221 178.050 176.870 -0.069 0.000 1.107 213 L CA -0.335 54.408 54.840 -0.162 0.000 0.806 213 L CB 1.142 43.036 42.059 -0.275 0.000 1.146 213 L HN -0.008 nan 8.230 nan 0.000 0.447 214 K N 1.123 121.527 120.400 0.006 0.000 2.329 214 K HA 0.114 4.434 4.320 -0.000 0.000 0.198 214 K C 0.660 177.398 176.600 0.231 0.000 1.085 214 K CA 0.507 56.901 56.287 0.178 0.000 0.961 214 K CB 0.341 32.919 32.500 0.130 0.000 0.971 214 K HN 0.668 nan 8.250 nan 0.000 0.502 215 E N 1.158 121.399 120.200 0.069 0.000 2.349 215 E HA 0.073 4.423 4.350 -0.000 0.000 0.265 215 E C 0.691 177.260 176.600 -0.051 0.000 1.064 215 E CA 0.059 56.522 56.400 0.105 0.000 0.886 215 E CB 0.665 30.444 29.700 0.132 0.000 1.036 215 E HN 0.379 nan 8.360 nan 0.000 0.413 216 E N 0.025 120.286 120.200 0.102 0.000 2.107 216 E HA -0.237 4.113 4.350 -0.000 0.000 0.191 216 E C 1.796 178.346 176.600 -0.083 0.000 0.982 216 E CA 1.287 57.682 56.400 -0.008 0.000 0.809 216 E CB -0.184 29.675 29.700 0.264 0.000 0.756 216 E HN 0.868 nan 8.360 nan 0.000 0.459 217 H N 0.390 119.429 119.070 -0.051 0.000 2.423 217 H HA -0.043 4.513 4.556 -0.000 0.000 0.297 217 H C 1.500 176.781 175.328 -0.079 0.000 1.075 217 H CA 1.549 57.567 56.048 -0.050 0.000 1.342 217 H CB -0.178 29.570 29.762 -0.022 0.000 1.395 217 H HN 0.295 nan 8.280 nan 0.000 0.530 218 E N 0.737 120.402 120.200 -0.891 0.000 2.031 218 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 218 E C 2.669 179.057 176.600 -0.354 0.000 0.994 218 E CA 1.357 57.379 56.400 -0.631 0.000 0.800 218 E CB 0.127 29.512 29.700 -0.525 0.000 0.752 218 E HN 0.209 nan 8.360 nan 0.000 0.447 219 V N 1.291 120.949 119.914 -0.426 0.000 2.252 219 V HA -0.328 3.791 4.120 -0.000 0.000 0.249 219 V C 2.282 178.223 176.094 -0.254 0.000 1.056 219 V CA 2.022 64.057 62.300 -0.442 0.000 1.022 219 V CB -0.506 30.734 31.823 -0.971 0.000 0.641 219 V HN 0.235 nan 8.190 nan 0.000 0.445 220 R N -0.546 119.821 120.500 -0.221 0.000 2.105 220 R HA -0.224 4.116 4.340 -0.000 0.000 0.239 220 R C 2.368 178.635 176.300 -0.056 0.000 1.135 220 R CA 1.827 57.856 56.100 -0.118 0.000 0.967 220 R CB -0.297 29.965 30.300 -0.062 0.000 0.861 220 R HN 0.641 nan 8.270 nan 0.000 0.442 221 E N -0.055 120.112 120.200 -0.056 0.000 2.047 221 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 221 E C 1.657 178.303 176.600 0.077 0.000 0.987 221 E CA 0.863 57.260 56.400 -0.006 0.000 0.799 221 E CB -0.057 29.612 29.700 -0.052 0.000 0.752 221 E HN 0.131 nan 8.360 nan 0.000 0.449 222 F N 1.414 121.282 119.950 -0.136 0.000 2.075 222 F HA -0.161 4.366 4.527 -0.000 0.000 0.297 222 F C 1.881 177.650 175.800 -0.051 0.000 1.113 222 F CA 1.292 59.227 58.000 -0.108 0.000 1.218 222 F CB -0.706 38.192 39.000 -0.170 0.000 0.984 222 F HN 0.022 nan 8.300 nan 0.000 0.472 223 L N -0.235 120.941 121.223 -0.078 0.000 2.042 223 L HA -0.292 4.048 4.340 -0.000 0.000 0.210 223 L C 2.529 179.449 176.870 0.083 0.000 1.076 223 L CA 1.685 56.489 54.840 -0.060 0.000 0.749 223 L CB -0.854 41.109 42.059 -0.159 0.000 0.893 223 L HN 0.197 nan 8.230 nan 0.000 0.432 224 Q N -0.941 118.890 119.800 0.052 0.000 2.096 224 Q HA -0.230 4.109 4.340 -0.000 0.000 0.204 224 Q C 2.499 178.528 176.000 0.049 0.000 0.982 224 Q CA 1.937 57.773 55.803 0.056 0.000 0.850 224 Q CB -0.211 28.549 28.738 0.037 0.000 0.901 224 Q HN 0.374 nan 8.270 nan 0.000 0.422 225 S N -0.055 115.683 115.700 0.064 0.000 2.359 225 S HA -0.235 4.235 4.470 -0.000 0.000 0.224 225 S C 1.962 176.582 174.600 0.034 0.000 1.035 225 S CA 1.207 59.448 58.200 0.069 0.000 1.018 225 S CB -0.320 62.964 63.200 0.141 0.000 0.876 225 S HN 0.486 nan 8.310 nan 0.000 0.448 226 A N 0.863 123.684 122.820 0.000 0.000 1.873 226 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 226 A C 2.351 179.884 177.584 -0.084 0.000 1.193 226 A CA 2.095 54.100 52.037 -0.054 0.000 0.629 226 A CB -1.230 17.722 19.000 -0.080 0.000 0.826 226 A HN 0.477 nan 8.150 nan 0.000 0.447 227 V N -0.176 119.694 119.914 -0.073 0.000 2.332 227 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 227 V C 3.028 179.091 176.094 -0.052 0.000 1.055 227 V CA 2.022 64.256 62.300 -0.110 0.000 1.038 227 V CB -1.382 30.412 31.823 -0.049 0.000 0.651 227 V HN 0.644 nan 8.190 nan 0.000 0.450 228 A N -0.169 122.640 122.820 -0.017 0.000 1.877 228 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 228 A C 2.403 179.983 177.584 -0.007 0.000 1.186 228 A CA 2.041 54.074 52.037 -0.006 0.000 0.620 228 A CB -0.716 18.288 19.000 0.007 0.000 0.822 228 A HN 0.327 nan 8.150 nan 0.000 0.443 229 V N -0.079 119.833 119.914 -0.002 0.000 2.343 229 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 229 V C 2.759 178.859 176.094 0.010 0.000 1.051 229 V CA 2.488 64.788 62.300 0.000 0.000 1.036 229 V CB -1.275 30.556 31.823 0.014 0.000 0.654 229 V HN 0.627 nan 8.190 nan 0.000 0.451 230 T N -0.393 114.177 114.554 0.028 0.000 2.674 230 T HA -0.228 4.122 4.350 -0.000 0.000 0.265 230 T C 2.146 176.909 174.700 0.104 0.000 1.039 230 T CA 1.912 64.084 62.100 0.119 0.000 1.150 230 T CB -0.339 68.533 68.868 0.008 0.000 0.864 230 T HN 0.402 nan 8.240 nan 0.000 0.427 231 R N 1.086 121.601 120.500 0.025 0.000 2.083 231 R HA -0.102 4.238 4.340 -0.000 0.000 0.237 231 R C 2.288 178.588 176.300 0.000 0.000 1.137 231 R CA 2.328 58.437 56.100 0.015 0.000 0.951 231 R CB -1.028 29.269 30.300 -0.006 0.000 0.851 231 R HN 0.743 nan 8.270 nan 0.000 0.434 232 E N -0.285 119.902 120.200 -0.021 0.000 2.085 232 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 232 E C 2.169 178.709 176.600 -0.099 0.000 0.994 232 E CA 1.918 58.289 56.400 -0.048 0.000 0.801 232 E CB -0.211 29.462 29.700 -0.045 0.000 0.743 232 E HN 0.511 nan 8.360 nan 0.000 0.453 233 L N -0.401 120.723 121.223 -0.165 0.000 2.131 233 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 233 L C 2.389 179.049 176.870 -0.351 0.000 1.087 233 L CA 0.255 54.848 54.840 -0.411 0.000 0.767 233 L CB -0.161 41.387 42.059 -0.851 0.000 0.917 233 L HN 0.067 nan 8.230 nan 0.000 0.441 234 V N 0.217 120.098 119.914 -0.054 0.000 2.332 234 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 234 V C 2.372 178.473 176.094 0.013 0.000 1.055 234 V CA 2.011 64.368 62.300 0.094 0.000 1.038 234 V CB -0.396 31.514 31.823 0.144 0.000 0.651 234 V HN 0.468 nan 8.190 nan 0.000 0.450 235 E N -0.555 119.635 120.200 -0.017 0.000 2.072 235 E HA -0.217 4.133 4.350 -0.000 0.000 0.190 235 E C 2.242 178.820 176.600 -0.035 0.000 0.982 235 E CA 1.027 57.415 56.400 -0.019 0.000 0.803 235 E CB -0.123 29.565 29.700 -0.020 0.000 0.755 235 E HN 0.656 nan 8.360 nan 0.000 0.453 236 Q N 0.334 120.094 119.800 -0.067 0.000 2.472 236 Q HA -0.057 4.283 4.340 -0.000 0.000 0.208 236 Q C -0.481 175.475 176.000 -0.074 0.000 0.958 236 Q CA 0.299 56.058 55.803 -0.073 0.000 0.932 236 Q CB 0.178 28.858 28.738 -0.097 0.000 1.007 236 Q HN 0.209 nan 8.270 nan 0.000 0.508 237 E N -0.188 119.968 120.200 -0.074 0.000 2.320 237 E HA -0.244 4.106 4.350 -0.000 0.000 0.234 237 E C 0.238 176.793 176.600 -0.075 0.000 1.183 237 E CA -0.074 56.302 56.400 -0.041 0.000 0.713 237 E CB -0.552 29.143 29.700 -0.008 0.000 1.226 237 E HN 0.227 nan 8.360 nan 0.000 0.382 238 R N -0.324 120.056 120.500 -0.199 0.000 2.312 238 R HA 0.117 4.457 4.340 -0.000 0.000 0.205 238 R C 0.228 176.420 176.300 -0.180 0.000 0.904 238 R CA 0.256 56.230 56.100 -0.210 0.000 1.052 238 R CB 0.268 30.405 30.300 -0.271 0.000 1.014 238 R HN 0.047 nan 8.270 nan 0.000 0.503 239 F N 0.137 120.091 119.950 0.006 0.000 2.429 239 F HA 0.206 4.733 4.527 -0.000 0.000 0.348 239 F C 1.331 177.141 175.800 0.016 0.000 1.109 239 F CA -0.692 57.314 58.000 0.011 0.000 1.232 239 F CB 0.991 39.995 39.000 0.007 0.000 1.157 239 F HN -0.092 nan 8.300 nan 0.000 0.564 240 A N 3.392 126.358 122.820 0.244 0.000 2.465 240 A HA 0.273 4.593 4.320 -0.000 0.000 0.255 240 A C 0.669 178.315 177.584 0.103 0.000 1.274 240 A CA -0.177 51.939 52.037 0.132 0.000 0.920 240 A CB -0.080 18.977 19.000 0.097 0.000 1.033 240 A HN 0.659 nan 8.150 nan 0.000 0.516 241 R N -0.098 120.472 120.500 0.116 0.000 2.628 241 R HA 0.657 4.997 4.340 -0.000 0.000 0.288 241 R C -1.527 174.798 176.300 0.041 0.000 0.980 241 R CA -0.266 55.872 56.100 0.064 0.000 0.891 241 R CB 1.742 32.085 30.300 0.072 0.000 1.188 241 R HN 0.182 nan 8.270 nan 0.000 0.450 242 A N 5.422 128.264 122.820 0.037 0.000 2.311 242 A HA 0.531 4.851 4.320 -0.000 0.000 0.306 242 A C -2.329 175.271 177.584 0.026 0.000 1.189 242 A CA -1.399 50.653 52.037 0.024 0.000 0.791 242 A CB 0.871 19.892 19.000 0.034 0.000 1.172 242 A HN 0.581 nan 8.150 nan 0.000 0.481 243 P HA 0.514 nan 4.420 nan 0.000 0.274 243 P C 0.061 177.302 177.300 -0.099 0.000 1.237 243 P CA -0.263 62.816 63.100 -0.036 0.000 0.793 243 P CB 0.846 32.524 31.700 -0.036 0.000 0.977 244 A N 1.221 123.886 122.820 -0.258 0.000 2.351 244 A HA 0.399 4.718 4.320 -0.000 0.000 0.257 244 A C -0.112 177.213 177.584 -0.431 0.000 1.087 244 A CA -0.489 51.216 52.037 -0.554 0.000 0.798 244 A CB 0.136 18.304 19.000 -1.386 0.000 1.033 244 A HN 0.369 nan 8.150 nan 0.000 0.488 245 V N 2.398 122.059 119.914 -0.422 0.000 2.407 245 V HA 0.352 4.472 4.120 -0.000 0.000 0.278 245 V C -0.381 175.465 176.094 -0.415 0.000 1.037 245 V CA -0.331 61.726 62.300 -0.405 0.000 0.900 245 V CB 1.062 32.599 31.823 -0.476 0.000 0.983 245 V HN 0.726 nan 8.190 nan 0.000 0.459 246 L N 5.133 126.116 121.223 -0.400 0.000 2.316 246 L HA 0.673 5.013 4.340 -0.000 0.000 0.280 246 L C -0.134 176.550 176.870 -0.310 0.000 1.006 246 L CA 0.488 55.096 54.840 -0.386 0.000 0.836 246 L CB 1.644 43.384 42.059 -0.530 0.000 1.221 246 L HN 0.624 nan 8.230 nan 0.000 0.418 247 S N 3.306 118.881 115.700 -0.209 0.000 2.552 247 S HA 0.909 5.379 4.470 -0.000 0.000 0.314 247 S C -0.207 174.419 174.600 0.044 0.000 1.099 247 S CA -0.086 58.045 58.200 -0.115 0.000 1.070 247 S CB 0.860 63.925 63.200 -0.226 0.000 0.998 247 S HN 0.977 nan 8.310 nan 0.000 0.474 248 G N 1.933 110.824 108.800 0.152 0.000 2.600 248 G HA2 0.644 4.604 3.960 -0.000 0.000 0.303 248 G HA3 0.644 4.604 3.960 -0.000 0.000 0.303 248 G C 0.806 175.753 174.900 0.078 0.000 1.253 248 G CA -0.214 44.939 45.100 0.088 0.000 0.974 248 G HN 0.903 nan 8.290 nan 0.000 0.483 249 A N -0.221 122.680 122.820 0.134 0.000 1.858 249 A HA 0.328 4.648 4.320 -0.000 0.000 0.216 249 A C 2.264 179.942 177.584 0.157 0.000 1.190 249 A CA 2.241 54.398 52.037 0.200 0.000 0.617 249 A CB -1.187 18.040 19.000 0.377 0.000 0.827 249 A HN 2.555 nan 8.150 nan 0.000 0.443 250 G N -0.994 107.885 108.800 0.131 0.000 2.305 250 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.287 250 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.287 250 G C 0.728 175.789 174.900 0.267 0.000 1.036 250 G CA 1.540 46.741 45.100 0.168 0.000 0.887 250 G HN 1.499 nan 8.290 nan 0.000 0.505 251 S N -1.104 114.727 115.700 0.219 0.000 3.037 251 S HA 0.630 5.100 4.470 -0.000 0.000 0.173 251 S C 2.514 177.181 174.600 0.111 0.000 0.681 251 S CA 1.072 59.366 58.200 0.157 0.000 0.807 251 S CB -0.455 62.833 63.200 0.146 0.000 0.789 251 S HN 1.463 nan 8.310 nan 0.000 0.637 252 A N 0.346 123.207 122.820 0.068 0.000 1.978 252 A HA 0.020 4.340 4.320 -0.000 0.000 0.220 252 A C 1.226 178.620 177.584 -0.318 0.000 1.170 252 A CA 1.115 53.078 52.037 -0.124 0.000 0.636 252 A CB -0.950 17.974 19.000 -0.127 0.000 0.810 252 A HN 0.770 nan 8.150 nan 0.000 0.448 253 W N -2.095 119.225 121.300 0.035 0.000 2.570 253 W HA 0.363 5.023 4.660 -0.000 0.000 0.410 253 W C 1.026 177.536 176.519 -0.016 0.000 0.889 253 W CA -0.763 56.575 57.345 -0.012 0.000 2.386 253 W CB -0.350 29.067 29.460 -0.072 0.000 1.228 253 W HN 0.445 nan 8.180 nan 0.000 0.692 254 Y N 2.681 123.018 120.300 0.063 0.000 2.114 254 Y HA -0.407 4.143 4.550 -0.001 0.000 0.282 254 Y C 2.184 178.094 175.900 0.016 0.000 1.165 254 Y CA 2.687 60.805 58.100 0.030 0.000 1.148 254 Y CB -0.308 38.164 38.460 0.020 0.000 0.972 254 Y HN 0.080 nan 8.280 nan 0.000 0.504 255 D N -0.674 119.648 120.400 -0.129 0.000 2.117 255 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 255 D C 2.152 178.348 176.300 -0.173 0.000 0.982 255 D CA 1.728 55.594 54.000 -0.222 0.000 0.828 255 D CB -1.156 39.628 40.800 -0.027 0.000 0.967 255 D HN 0.361 nan 8.370 nan 0.000 0.464 256 V N 0.838 120.728 119.914 -0.038 0.000 2.307 256 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 256 V C 2.910 178.903 176.094 -0.167 0.000 1.045 256 V CA 1.255 63.538 62.300 -0.027 0.000 1.024 256 V CB -0.478 31.419 31.823 0.124 0.000 0.651 256 V HN 0.106 nan 8.190 nan 0.000 0.449 257 V N 0.508 120.278 119.914 -0.239 0.000 2.287 257 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 257 V C 2.771 178.603 176.094 -0.437 0.000 1.053 257 V CA 2.158 64.164 62.300 -0.489 0.000 1.027 257 V CB -1.265 30.276 31.823 -0.470 0.000 0.646 257 V HN 0.560 nan 8.190 nan 0.000 0.447 258 A N -0.367 122.213 122.820 -0.401 0.000 1.892 258 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 258 A C 2.164 179.652 177.584 -0.160 0.000 1.188 258 A CA 2.229 54.070 52.037 -0.326 0.000 0.631 258 A CB -0.528 18.134 19.000 -0.563 0.000 0.822 258 A HN 0.660 nan 8.150 nan 0.000 0.447 259 E N -0.571 119.538 120.200 -0.152 0.000 2.017 259 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 259 E C 2.093 178.677 176.600 -0.027 0.000 0.997 259 E CA 1.198 57.556 56.400 -0.070 0.000 0.804 259 E CB -0.183 29.482 29.700 -0.058 0.000 0.757 259 E HN 0.527 nan 8.360 nan 0.000 0.448 260 E N 0.222 120.391 120.200 -0.052 0.000 2.110 260 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 260 E C 1.618 178.344 176.600 0.211 0.000 0.988 260 E CA 0.819 57.236 56.400 0.028 0.000 0.804 260 E CB -0.112 29.565 29.700 -0.039 0.000 0.745 260 E HN 0.239 nan 8.360 nan 0.000 0.458 261 F N 0.256 120.158 119.950 -0.079 0.000 2.797 261 F HA 0.121 4.648 4.527 -0.000 0.000 0.302 261 F C 2.317 178.078 175.800 -0.064 0.000 1.130 261 F CA -0.479 57.474 58.000 -0.078 0.000 1.387 261 F CB -1.534 37.410 39.000 -0.093 0.000 1.107 261 F HN -0.152 nan 8.300 nan 0.000 0.577 262 V N 0.868 120.850 119.914 0.114 0.000 2.242 262 V HA -0.460 3.660 4.120 -0.000 0.000 0.257 262 V C 2.371 178.482 176.094 0.029 0.000 1.073 262 V CA 4.171 66.500 62.300 0.049 0.000 1.058 262 V CB -1.443 30.396 31.823 0.027 0.000 0.664 262 V HN 0.273 nan 8.190 nan 0.000 0.451 263 K N -0.547 119.865 120.400 0.020 0.000 2.155 263 K HA 0.333 4.653 4.320 -0.000 0.000 0.203 263 K C 2.417 178.999 176.600 -0.030 0.000 1.052 263 K CA 2.213 58.497 56.287 -0.005 0.000 0.948 263 K CB -1.059 31.438 32.500 -0.005 0.000 0.728 263 K HN 1.424 nan 8.250 nan 0.000 0.448 264 A N 0.928 123.712 122.820 -0.060 0.000 1.897 264 A HA 0.189 4.509 4.320 -0.000 0.000 0.215 264 A C 2.896 180.425 177.584 -0.091 0.000 1.181 264 A CA 2.156 54.122 52.037 -0.120 0.000 0.620 264 A CB -0.982 17.859 19.000 -0.265 0.000 0.821 264 A HN 0.753 nan 8.150 nan 0.000 0.443 265 S N -0.443 115.227 115.700 -0.049 0.000 2.383 265 S HA -0.041 4.429 4.470 -0.000 0.000 0.229 265 S C 1.963 176.549 174.600 -0.023 0.000 1.030 265 S CA 2.391 60.575 58.200 -0.027 0.000 1.002 265 S CB -0.686 62.524 63.200 0.017 0.000 0.829 265 S HN 0.834 nan 8.310 nan 0.000 0.467 266 E N 0.255 120.445 120.200 -0.017 0.000 2.152 266 E HA 0.080 4.430 4.350 -0.000 0.000 0.192 266 E C 1.476 178.065 176.600 -0.019 0.000 0.983 266 E CA 1.093 57.485 56.400 -0.013 0.000 0.818 266 E CB -1.186 28.509 29.700 -0.008 0.000 0.758 266 E HN 0.580 nan 8.360 nan 0.000 0.467 267 T N -1.773 112.764 114.554 -0.028 0.000 2.828 267 T HA 0.444 4.794 4.350 -0.000 0.000 0.290 267 T C 1.283 175.966 174.700 -0.029 0.000 1.019 267 T CA 0.271 62.355 62.100 -0.026 0.000 1.031 267 T CB 1.226 70.076 68.868 -0.030 0.000 1.001 267 T HN 0.192 nan 8.240 nan 0.000 0.531 268 G N 1.355 110.144 108.800 -0.020 0.000 3.020 268 G HA2 0.087 4.047 3.960 -0.000 0.000 0.217 268 G HA3 0.087 4.047 3.960 -0.000 0.000 0.217 268 G C 1.367 176.255 174.900 -0.019 0.000 1.144 268 G CA -0.183 44.907 45.100 -0.017 0.000 0.760 268 G HN 0.609 nan 8.290 nan 0.000 0.548 269 K N 0.106 120.494 120.400 -0.020 0.000 2.296 269 K HA 0.140 4.460 4.320 -0.000 0.000 0.200 269 K C 0.093 176.657 176.600 -0.059 0.000 1.048 269 K CA 0.399 56.678 56.287 -0.014 0.000 0.966 269 K CB 0.602 33.110 32.500 0.013 0.000 0.754 269 K HN 0.214 nan 8.250 nan 0.000 0.466 270 V N 2.109 121.969 119.914 -0.090 0.000 2.789 270 V HA 0.170 4.290 4.120 -0.000 0.000 0.311 270 V C -0.636 175.368 176.094 -0.150 0.000 1.073 270 V CA -1.128 61.075 62.300 -0.162 0.000 0.921 270 V CB 2.112 33.826 31.823 -0.182 0.000 1.009 270 V HN 0.200 nan 8.190 nan 0.000 0.426 271 E N 3.163 123.251 120.200 -0.188 0.000 2.187 271 E HA 0.711 5.061 4.350 -0.000 0.000 0.268 271 E C -1.485 174.945 176.600 -0.283 0.000 0.896 271 E CA -0.783 55.504 56.400 -0.189 0.000 0.766 271 E CB 2.286 31.905 29.700 -0.136 0.000 1.142 271 E HN 0.312 nan 8.360 nan 0.000 0.408 272 V N 3.470 123.243 119.914 -0.234 0.000 2.432 272 V HA 0.232 4.352 4.120 -0.000 0.000 0.275 272 V C -0.328 175.598 176.094 -0.280 0.000 1.043 272 V CA -0.584 61.587 62.300 -0.214 0.000 0.925 272 V CB 1.318 33.110 31.823 -0.052 0.000 0.985 272 V HN 0.586 nan 8.190 nan 0.000 0.466 273 V N 6.824 126.527 119.914 -0.351 0.000 2.483 273 V HA 0.467 4.587 4.120 -0.000 0.000 0.297 273 V C -0.126 175.835 176.094 -0.222 0.000 1.027 273 V CA -0.449 61.566 62.300 -0.476 0.000 0.855 273 V CB 1.647 32.885 31.823 -0.975 0.000 0.995 273 V HN 0.638 nan 8.190 nan 0.000 0.424 274 L N 4.699 125.867 121.223 -0.092 0.000 2.387 274 L HA 0.683 5.023 4.340 -0.000 0.000 0.266 274 L C 0.346 177.226 176.870 0.016 0.000 1.059 274 L CA -0.838 54.014 54.840 0.019 0.000 0.801 274 L CB 1.136 43.268 42.059 0.122 0.000 1.223 274 L HN 0.528 nan 8.230 nan 0.000 0.456 275 R N 1.405 121.941 120.500 0.060 0.000 2.629 275 R HA 0.295 4.634 4.340 -0.000 0.000 0.277 275 R C -2.583 173.786 176.300 0.115 0.000 1.637 275 R CA -1.530 54.604 56.100 0.057 0.000 1.663 275 R CB 0.759 31.077 30.300 0.029 0.000 1.228 275 R HN 0.345 nan 8.270 nan 0.000 0.632 276 P HA 0.077 nan 4.420 nan 0.000 0.274 276 P C 0.134 177.528 177.300 0.156 0.000 1.246 276 P CA 0.041 63.238 63.100 0.163 0.000 0.795 276 P CB 1.219 33.055 31.700 0.227 0.000 1.006 277 G N -0.243 108.644 108.800 0.145 0.000 3.372 277 G HA2 0.075 4.035 3.960 -0.000 0.000 0.178 277 G HA3 0.075 4.035 3.960 -0.000 0.000 0.178 277 G C -0.413 174.565 174.900 0.131 0.000 1.817 277 G CA -0.171 44.993 45.100 0.107 0.000 0.996 277 G HN 0.668 nan 8.290 nan 0.000 0.559 278 c N 0.474 119.137 118.600 0.106 0.000 2.629 278 c HA 0.406 4.975 4.570 -0.000 0.000 0.410 278 c C 0.695 174.935 174.090 0.250 0.000 1.339 278 c CA -0.601 55.792 56.329 0.107 0.000 1.810 278 c CB -1.369 41.171 42.510 0.050 0.000 2.549 278 c HN 0.467 nan 8.230 nan 0.000 0.589 279 Y N 4.457 124.743 120.300 -0.024 0.000 2.461 279 Y HA 0.247 4.797 4.550 0.001 0.000 0.277 279 Y C 1.493 177.374 175.900 -0.031 0.000 1.182 279 Y CA 0.413 58.496 58.100 -0.028 0.000 1.276 279 Y CB -0.301 38.169 38.460 0.017 0.000 1.087 279 Y HN 0.639 nan 8.280 nan 0.000 0.519 280 L N -0.979 120.314 121.223 0.116 0.000 2.628 280 L HA 0.209 4.549 4.340 -0.000 0.000 0.229 280 L C 0.626 177.512 176.870 0.025 0.000 1.137 280 L CA 0.331 55.223 54.840 0.088 0.000 0.909 280 L CB 0.291 42.419 42.059 0.115 0.000 1.137 280 L HN -0.007 nan 8.230 nan 0.000 0.470 281 T N -2.385 112.132 114.554 -0.062 0.000 2.802 281 T HA 0.160 4.510 4.350 -0.000 0.000 0.311 281 T C 0.777 175.292 174.700 -0.309 0.000 1.405 281 T CA -0.552 61.436 62.100 -0.187 0.000 1.016 281 T CB 0.959 69.673 68.868 -0.257 0.000 1.352 281 T HN 0.310 nan 8.240 nan 0.000 0.498 282 H N 0.665 119.600 119.070 -0.226 0.000 2.495 282 H HA 0.067 4.623 4.556 0.000 0.000 0.287 282 H C 0.491 175.786 175.328 -0.056 0.000 1.033 282 H CA 0.684 56.534 56.048 -0.330 0.000 1.307 282 H CB -0.101 29.570 29.762 -0.151 0.000 1.401 282 H HN 0.414 nan 8.280 nan 0.000 0.555 283 D N 2.071 122.184 120.400 -0.478 0.000 2.671 283 D HA 0.170 4.810 4.640 -0.000 0.000 0.228 283 D C -0.823 175.446 176.300 -0.052 0.000 1.102 283 D CA -0.080 53.827 54.000 -0.154 0.000 1.044 283 D CB -0.475 40.227 40.800 -0.165 0.000 1.113 283 D HN 0.161 nan 8.370 nan 0.000 0.480 284 V N 1.519 121.426 119.914 -0.011 0.000 2.709 284 V HA 0.601 4.721 4.120 -0.000 0.000 0.308 284 V C 1.446 177.553 176.094 0.022 0.000 1.062 284 V CA -0.268 62.036 62.300 0.007 0.000 0.901 284 V CB 1.825 33.649 31.823 0.002 0.000 1.003 284 V HN 0.355 nan 8.190 nan 0.000 0.425 285 G N 4.468 113.276 108.800 0.013 0.000 2.491 285 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 285 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 285 G C 1.267 176.151 174.900 -0.028 0.000 1.180 285 G CA 1.382 46.481 45.100 -0.002 0.000 0.774 285 G HN 0.817 nan 8.290 nan 0.000 0.562 286 I N -1.009 119.520 120.570 -0.069 0.000 2.335 286 I HA -0.197 3.973 4.170 -0.000 0.000 0.251 286 I C 2.381 178.290 176.117 -0.346 0.000 1.129 286 I CA 1.435 62.567 61.300 -0.281 0.000 1.402 286 I CB -0.008 37.789 38.000 -0.339 0.000 1.069 286 I HN 0.337 nan 8.210 nan 0.000 0.424 287 Y N 1.398 121.505 120.300 -0.322 0.000 2.231 287 Y HA -0.084 4.466 4.550 0.000 0.000 0.294 287 Y C 2.562 178.370 175.900 -0.153 0.000 1.120 287 Y CA 1.207 59.127 58.100 -0.299 0.000 1.141 287 Y CB -0.222 38.027 38.460 -0.351 0.000 1.022 287 Y HN -0.029 nan 8.280 nan 0.000 0.523 288 R N 0.142 120.591 120.500 -0.084 0.000 2.091 288 R HA -0.134 4.206 4.340 -0.000 0.000 0.238 288 R C 1.933 178.157 176.300 -0.127 0.000 1.136 288 R CA 1.489 57.521 56.100 -0.113 0.000 0.959 288 R CB -0.209 30.075 30.300 -0.025 0.000 0.856 288 R HN 0.186 nan 8.270 nan 0.000 0.437 289 K N 0.148 120.504 120.400 -0.073 0.000 2.365 289 K HA 0.098 4.417 4.320 -0.000 0.000 0.197 289 K C 1.743 178.387 176.600 0.074 0.000 1.042 289 K CA 0.697 56.992 56.287 0.013 0.000 0.987 289 K CB 0.337 32.899 32.500 0.102 0.000 0.779 289 K HN 0.133 nan 8.250 nan 0.000 0.484 290 A N 1.112 123.927 122.820 -0.010 0.000 2.119 290 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 290 A C 1.910 179.552 177.584 0.096 0.000 1.152 290 A CA 0.652 52.739 52.037 0.083 0.000 0.708 290 A CB -0.057 18.994 19.000 0.085 0.000 0.805 290 A HN 0.132 nan 8.150 nan 0.000 0.460 291 Q N 0.017 119.810 119.800 -0.011 0.000 2.077 291 Q HA -0.163 4.177 4.340 -0.000 0.000 0.206 291 Q C 2.099 178.185 176.000 0.142 0.000 0.989 291 Q CA 2.202 58.029 55.803 0.040 0.000 0.853 291 Q CB -1.348 27.327 28.738 -0.106 0.000 0.907 291 Q HN 0.647 nan 8.270 nan 0.000 0.418 292 T N 2.114 116.718 114.554 0.082 0.000 2.635 292 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 292 T C 1.385 176.190 174.700 0.174 0.000 1.040 292 T CA 1.652 63.815 62.100 0.105 0.000 1.156 292 T CB -0.302 68.606 68.868 0.066 0.000 0.863 292 T HN 0.273 nan 8.240 nan 0.000 0.430 293 D N 0.954 121.460 120.400 0.178 0.000 2.117 293 D HA -0.044 4.596 4.640 -0.000 0.000 0.197 293 D C 2.176 178.637 176.300 0.268 0.000 0.987 293 D CA 0.839 54.969 54.000 0.217 0.000 0.829 293 D CB -0.230 40.693 40.800 0.205 0.000 0.961 293 D HN 0.338 nan 8.370 nan 0.000 0.460 294 I N -0.015 120.736 120.570 0.302 0.000 2.361 294 I HA -0.173 3.997 4.170 -0.000 0.000 0.251 294 I C 1.030 177.240 176.117 0.154 0.000 1.133 294 I CA 0.743 62.210 61.300 0.278 0.000 1.413 294 I CB -0.368 37.845 38.000 0.355 0.000 1.073 294 I HN -0.151 nan 8.210 nan 0.000 0.424 307 G N 2.708 111.613 108.800 0.176 0.000 2.574 307 G HA2 0.447 4.407 3.960 -0.000 0.000 0.248 307 G HA3 0.447 4.407 3.960 -0.000 0.000 0.248 307 G C -0.037 174.606 174.900 -0.428 0.000 1.422 307 G CA -0.773 44.139 45.100 -0.314 0.000 1.051 307 G HN 0.440 nan 8.290 nan 0.000 0.560 308 L N 0.241 120.825 121.223 -1.066 0.000 2.490 308 L HA 0.232 4.572 4.340 -0.000 0.000 0.274 308 L C -0.119 176.571 176.870 -0.300 0.000 1.201 308 L CA 0.192 54.590 54.840 -0.738 0.000 0.869 308 L CB 0.278 41.638 42.059 -1.165 0.000 1.123 308 L HN 0.171 nan 8.230 nan 0.000 0.484 309 L N 4.879 126.045 121.223 -0.094 0.000 2.333 309 L HA 0.531 4.871 4.340 -0.000 0.000 0.269 309 L C -2.217 174.671 176.870 0.030 0.000 1.010 309 L CA -2.074 52.753 54.840 -0.022 0.000 0.818 309 L CB 2.215 44.232 42.059 -0.070 0.000 1.306 309 L HN 0.386 nan 8.230 nan 0.000 0.430 310 P HA 0.083 nan 4.420 nan 0.000 0.276 310 P C -0.359 177.010 177.300 0.114 0.000 1.243 310 P CA -0.137 63.012 63.100 0.081 0.000 0.768 310 P CB 1.497 33.256 31.700 0.099 0.000 0.856 311 A N 3.919 126.828 122.820 0.149 0.000 2.288 311 A HA 0.217 4.537 4.320 -0.000 0.000 0.216 311 A C 0.470 178.224 177.584 0.284 0.000 1.199 311 A CA 0.300 52.472 52.037 0.225 0.000 0.891 311 A CB -0.110 18.996 19.000 0.177 0.000 0.923 311 A HN 0.505 nan 8.150 nan 0.000 0.500 312 L N -0.042 121.319 121.223 0.230 0.000 2.365 312 L HA 0.576 4.916 4.340 -0.000 0.000 0.273 312 L C -0.863 176.122 176.870 0.192 0.000 1.000 312 L CA -0.176 54.763 54.840 0.165 0.000 0.819 312 L CB 1.971 44.118 42.059 0.148 0.000 1.284 312 L HN 0.315 nan 8.230 nan 0.000 0.418 313 Q N 4.139 124.051 119.800 0.187 0.000 2.423 313 Q HA 0.620 4.960 4.340 -0.000 0.000 0.278 313 Q C -1.610 174.456 176.000 0.110 0.000 1.097 313 Q CA -0.883 55.018 55.803 0.163 0.000 0.809 313 Q CB 2.851 31.717 28.738 0.215 0.000 1.391 313 Q HN 0.563 nan 8.270 nan 0.000 0.428 314 L N 1.118 122.397 121.223 0.093 0.000 2.295 314 L HA 0.499 4.839 4.340 -0.000 0.000 0.285 314 L C -1.183 175.805 176.870 0.197 0.000 1.035 314 L CA -0.590 54.323 54.840 0.122 0.000 0.806 314 L CB 0.719 42.854 42.059 0.127 0.000 1.214 314 L HN 0.478 nan 8.230 nan 0.000 0.426 315 W N 2.557 123.885 121.300 0.047 0.000 2.520 315 W HA 0.731 5.390 4.660 -0.000 0.000 0.323 315 W C -0.063 176.484 176.519 0.047 0.000 1.062 315 W CA -0.242 57.133 57.345 0.051 0.000 1.215 315 W CB 1.872 31.290 29.460 -0.070 0.000 1.340 315 W HN 0.479 nan 8.180 nan 0.000 0.516 316 A N 2.278 125.272 122.820 0.290 0.000 2.587 316 A HA 0.763 5.083 4.320 -0.000 0.000 0.293 316 A C -2.119 175.529 177.584 0.106 0.000 1.087 316 A CA -0.767 51.380 52.037 0.183 0.000 0.692 316 A CB 0.876 20.031 19.000 0.259 0.000 1.291 316 A HN 0.443 nan 8.150 nan 0.000 0.407 317 Y N 0.144 120.559 120.300 0.191 0.000 2.301 317 Y HA 0.413 4.963 4.550 0.000 0.000 0.325 317 Y C 0.673 176.643 175.900 0.115 0.000 1.203 317 Y CA -0.411 57.776 58.100 0.145 0.000 1.255 317 Y CB 1.333 39.849 38.460 0.093 0.000 1.232 317 Y HN 0.367 nan 8.280 nan 0.000 0.501 318 V N 4.148 124.241 119.914 0.297 0.000 2.439 318 V HA 0.010 4.130 4.120 -0.000 0.000 0.271 318 V C 0.488 176.647 176.094 0.110 0.000 1.040 318 V CA 0.212 62.603 62.300 0.152 0.000 1.002 318 V CB 0.712 32.590 31.823 0.091 0.000 1.000 318 V HN 0.886 nan 8.190 nan 0.000 0.477 319 Q N 2.527 122.368 119.800 0.068 0.000 2.373 319 Q HA 0.210 4.549 4.340 -0.000 0.000 0.210 319 Q C 0.662 176.663 176.000 0.003 0.000 0.913 319 Q CA 0.417 56.240 55.803 0.033 0.000 0.911 319 Q CB 0.961 29.729 28.738 0.050 0.000 1.040 319 Q HN 0.698 nan 8.270 nan 0.000 0.521 320 S N -0.338 115.357 115.700 -0.007 0.000 2.556 320 S HA 0.418 4.888 4.470 -0.000 0.000 0.280 320 S C -1.750 172.831 174.600 -0.032 0.000 1.141 320 S CA -0.667 57.520 58.200 -0.022 0.000 0.883 320 S CB 0.870 64.051 63.200 -0.031 0.000 1.103 320 S HN 0.203 nan 8.310 nan 0.000 0.453 321 I N 5.814 126.367 120.570 -0.028 0.000 2.750 321 I HA 0.318 4.488 4.170 -0.000 0.000 0.279 321 I C -1.604 174.504 176.117 -0.016 0.000 1.206 321 I CA -1.726 59.556 61.300 -0.031 0.000 1.101 321 I CB 1.630 39.606 38.000 -0.041 0.000 1.431 321 I HN 0.504 nan 8.210 nan 0.000 0.551 322 P HA 0.042 nan 4.420 nan 0.000 0.229 322 P C 0.091 177.396 177.300 0.009 0.000 1.160 322 P CA 1.015 64.115 63.100 -0.001 0.000 0.777 322 P CB 0.667 32.367 31.700 0.000 0.000 0.814 323 E N -0.985 119.225 120.200 0.016 0.000 2.367 323 E HA 0.254 4.604 4.350 -0.000 0.000 0.273 323 E C -2.346 174.261 176.600 0.010 0.000 0.903 323 E CA -2.220 54.191 56.400 0.018 0.000 0.764 323 E CB 1.747 31.468 29.700 0.034 0.000 1.252 323 E HN -0.240 nan 8.360 nan 0.000 0.446 324 P HA -0.156 nan 4.420 nan 0.000 0.221 324 P C 0.313 177.611 177.300 -0.004 0.000 1.145 324 P CA 1.242 64.341 63.100 -0.001 0.000 0.795 324 P CB 0.119 31.820 31.700 0.001 0.000 0.775 325 D N -2.096 118.307 120.400 0.005 0.000 2.402 325 D HA 0.046 4.686 4.640 -0.000 0.000 0.216 325 D C 0.417 176.743 176.300 0.043 0.000 1.128 325 D CA -0.166 53.837 54.000 0.006 0.000 0.833 325 D CB -0.006 40.788 40.800 -0.009 0.000 0.971 325 D HN 0.078 nan 8.370 nan 0.000 0.503 326 R N 0.473 121.009 120.500 0.059 0.000 2.518 326 R HA 0.633 4.973 4.340 -0.000 0.000 0.296 326 R C -1.762 174.573 176.300 0.059 0.000 1.080 326 R CA -0.540 55.649 56.100 0.148 0.000 0.922 326 R CB 1.486 31.919 30.300 0.222 0.000 1.184 326 R HN 0.018 nan 8.270 nan 0.000 0.445 327 A N 5.606 128.438 122.820 0.019 0.000 2.340 327 A HA 0.632 4.952 4.320 -0.000 0.000 0.331 327 A C -0.642 176.897 177.584 -0.075 0.000 1.140 327 A CA -0.813 51.192 52.037 -0.054 0.000 0.801 327 A CB 1.001 19.920 19.000 -0.134 0.000 1.234 327 A HN 0.566 nan 8.150 nan 0.000 0.469 328 I N 3.224 123.734 120.570 -0.100 0.000 2.354 328 I HA 0.350 4.520 4.170 -0.000 0.000 0.292 328 I C -0.590 175.493 176.117 -0.057 0.000 0.989 328 I CA -0.531 60.671 61.300 -0.163 0.000 1.188 328 I CB 1.042 38.919 38.000 -0.205 0.000 1.342 328 I HN 0.331 nan 8.210 nan 0.000 0.457 329 I N 4.499 125.038 120.570 -0.051 0.000 2.441 329 I HA 0.320 4.490 4.170 -0.000 0.000 0.295 329 I C 1.115 177.239 176.117 0.013 0.000 0.994 329 I CA -0.649 60.668 61.300 0.029 0.000 1.144 329 I CB 1.571 39.606 38.000 0.058 0.000 1.314 329 I HN 0.637 nan 8.210 nan 0.000 0.445 330 G N 6.284 115.118 108.800 0.056 0.000 3.197 330 G HA2 0.385 4.345 3.960 -0.000 0.000 0.257 330 G HA3 0.385 4.345 3.960 -0.000 0.000 0.257 330 G C -0.514 174.380 174.900 -0.010 0.000 0.835 330 G CA 0.122 45.224 45.100 0.004 0.000 2.001 330 G HN 0.384 nan 8.290 nan 0.000 0.625 331 L N 1.105 122.286 121.223 -0.070 0.000 2.505 331 L HA 0.799 5.139 4.340 -0.000 0.000 0.266 331 L C 0.043 176.844 176.870 -0.115 0.000 0.954 331 L CA -0.301 54.486 54.840 -0.088 0.000 0.852 331 L CB 1.894 43.846 42.059 -0.177 0.000 1.282 331 L HN 0.272 nan 8.230 nan 0.000 0.403 332 G N 2.463 111.205 108.800 -0.098 0.000 3.105 332 G HA2 0.354 4.314 3.960 -0.000 0.000 0.277 332 G HA3 0.354 4.314 3.960 -0.000 0.000 0.277 332 G C -0.196 174.667 174.900 -0.061 0.000 1.375 332 G CA -0.548 44.504 45.100 -0.080 0.000 0.962 332 G HN 0.561 nan 8.290 nan 0.000 0.541 333 K N -0.383 119.995 120.400 -0.038 0.000 2.280 333 K HA -0.029 4.291 4.320 -0.000 0.000 0.202 333 K C 2.386 178.946 176.600 -0.067 0.000 1.047 333 K CA 0.560 56.833 56.287 -0.022 0.000 0.942 333 K CB 0.043 32.542 32.500 -0.002 0.000 0.739 333 K HN 0.181 nan 8.250 nan 0.000 0.457 334 R N 0.875 121.309 120.500 -0.110 0.000 2.237 334 R HA -0.085 4.255 4.340 -0.000 0.000 0.219 334 R C 0.592 176.719 176.300 -0.288 0.000 1.080 334 R CA 1.058 57.049 56.100 -0.181 0.000 0.995 334 R CB -0.011 30.176 30.300 -0.188 0.000 0.875 334 R HN 0.365 nan 8.270 nan 0.000 0.462 335 D N -1.367 118.905 120.400 -0.213 0.000 2.454 335 D HA 0.039 4.679 4.640 -0.000 0.000 0.219 335 D C -0.065 176.288 176.300 0.088 0.000 1.081 335 D CA 0.305 54.181 54.000 -0.206 0.000 0.867 335 D CB 0.716 41.508 40.800 -0.014 0.000 1.054 335 D HN -0.121 nan 8.370 nan 0.000 0.500 336 S N 0.473 116.197 115.700 0.041 0.000 2.776 336 S HA 0.564 5.034 4.470 -0.000 0.000 0.284 336 S C -0.822 173.814 174.600 0.060 0.000 1.160 336 S CA -0.547 57.706 58.200 0.088 0.000 1.051 336 S CB 0.959 64.178 63.200 0.032 0.000 1.037 336 S HN 0.169 nan 8.310 nan 0.000 0.485 337 A N 3.687 126.555 122.820 0.081 0.000 2.462 337 A HA 0.433 4.753 4.320 -0.000 0.000 0.243 337 A C 0.732 178.387 177.584 0.118 0.000 1.076 337 A CA -0.304 51.787 52.037 0.090 0.000 0.773 337 A CB -0.218 18.832 19.000 0.084 0.000 1.010 337 A HN 1.093 nan 8.150 nan 0.000 0.493 338 F N 1.496 121.459 119.950 0.021 0.000 2.134 338 F HA -0.177 4.350 4.527 0.000 0.000 0.299 338 F C 1.358 177.193 175.800 0.058 0.000 1.097 338 F CA 2.400 60.418 58.000 0.030 0.000 1.264 338 F CB 0.036 39.048 39.000 0.020 0.000 1.001 338 F HN 0.633 nan 8.300 nan 0.000 0.479 339 D N 0.554 120.998 120.400 0.074 0.000 2.309 339 D HA -0.080 4.560 4.640 -0.000 0.000 0.212 339 D C 2.163 178.503 176.300 0.066 0.000 0.968 339 D CA 1.067 55.078 54.000 0.019 0.000 0.882 339 D CB -0.408 40.459 40.800 0.112 0.000 0.918 339 D HN 0.423 nan 8.370 nan 0.000 0.503 340 A N -0.001 122.847 122.820 0.048 0.000 2.167 340 A HA 0.429 4.749 4.320 -0.000 0.000 0.214 340 A C 1.324 178.874 177.584 -0.057 0.000 1.151 340 A CA 1.103 53.191 52.037 0.084 0.000 0.735 340 A CB -0.242 18.809 19.000 0.086 0.000 0.802 340 A HN 0.320 nan 8.150 nan 0.000 0.467 344 E N 2.665 123.036 120.200 0.286 0.000 2.165 344 E HA 0.495 4.845 4.350 -0.000 0.000 0.266 344 E C -2.512 174.232 176.600 0.239 0.000 0.889 344 E CA -2.373 54.176 56.400 0.249 0.000 0.756 344 E CB 1.484 31.250 29.700 0.111 0.000 1.131 344 E HN 0.068 nan 8.360 nan 0.000 0.411 345 P HA 0.056 nan 4.420 nan 0.000 0.267 345 P C -0.722 176.478 177.300 -0.167 0.000 1.209 345 P CA 0.314 63.300 63.100 -0.191 0.000 0.763 345 P CB 1.496 33.227 31.700 0.051 0.000 0.816 346 A N 4.451 127.106 122.820 -0.276 0.000 2.048 346 A HA 0.240 4.560 4.320 -0.000 0.000 0.197 346 A C 0.621 178.068 177.584 -0.229 0.000 1.486 346 A CA 0.427 52.340 52.037 -0.208 0.000 1.029 346 A CB 0.415 19.316 19.000 -0.164 0.000 1.101 346 A HN 0.444 nan 8.150 nan 0.000 0.470 347 R N -0.486 119.828 120.500 -0.310 0.000 2.771 347 R HA 0.519 4.859 4.340 -0.000 0.000 0.274 347 R C -1.379 174.830 176.300 -0.152 0.000 0.987 347 R CA -0.629 55.333 56.100 -0.230 0.000 0.908 347 R CB 1.752 31.886 30.300 -0.276 0.000 1.213 347 R HN 0.498 nan 8.270 nan 0.000 0.468 348 H N 1.635 120.645 119.070 -0.101 0.000 2.679 348 H HA 0.330 4.886 4.556 -0.000 0.000 0.360 348 H C -1.835 173.587 175.328 0.158 0.000 1.105 348 H CA -0.594 55.479 56.048 0.041 0.000 1.196 348 H CB 1.983 31.794 29.762 0.081 0.000 1.636 348 H HN 0.653 nan 8.280 nan 0.000 0.531 349 Y N 4.837 124.929 120.300 -0.347 0.000 2.386 349 Y HA 0.316 4.866 4.550 -0.000 0.000 0.334 349 Y C -1.263 174.454 175.900 -0.306 0.000 1.002 349 Y CA -0.935 57.005 58.100 -0.267 0.000 1.068 349 Y CB 1.193 39.650 38.460 -0.005 0.000 1.203 349 Y HN 0.685 nan 8.280 nan 0.000 0.443 350 R N 7.520 127.401 120.500 -1.031 0.000 2.255 350 R HA 0.524 4.864 4.340 -0.000 0.000 0.326 350 R C -2.801 172.911 176.300 -0.979 0.000 0.986 350 R CA -2.026 53.645 56.100 -0.714 0.000 0.847 350 R CB 1.010 31.078 30.300 -0.386 0.000 1.111 350 R HN 0.429 nan 8.270 nan 0.000 0.452 351 P HA -0.007 nan 4.420 nan 0.000 0.265 351 P C 0.311 177.511 177.300 -0.168 0.000 1.187 351 P CA 1.241 64.204 63.100 -0.227 0.000 0.766 351 P CB 0.828 32.532 31.700 0.007 0.000 0.820 352 G N 1.556 110.342 108.800 -0.022 0.000 2.284 352 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.230 352 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.230 352 G C 0.478 175.388 174.900 0.016 0.000 1.021 352 G CA -0.338 44.764 45.100 0.004 0.000 0.619 352 G HN 0.527 nan 8.290 nan 0.000 0.510 353 N N 0.746 119.409 118.700 -0.062 0.000 2.399 353 N HA 0.439 5.179 4.740 -0.000 0.000 0.250 353 N C 1.320 176.959 175.510 0.215 0.000 1.272 353 N CA 0.409 53.468 53.050 0.016 0.000 0.928 353 N CB 0.714 39.129 38.487 -0.120 0.000 1.158 353 N HN 0.175 nan 8.380 nan 0.000 0.463 354 E N -0.455 119.839 120.200 0.157 0.000 2.107 354 E HA 0.197 4.547 4.350 -0.000 0.000 0.191 354 E C 0.179 176.880 176.600 0.168 0.000 0.982 354 E CA 0.994 57.479 56.400 0.142 0.000 0.809 354 E CB 0.035 29.789 29.700 0.089 0.000 0.756 354 E HN 0.691 nan 8.360 nan 0.000 0.459 355 A N -0.367 122.587 122.820 0.224 0.000 2.612 355 A HA 0.635 4.955 4.320 -0.000 0.000 0.293 355 A C -2.957 174.786 177.584 0.264 0.000 1.075 355 A CA -1.607 50.529 52.037 0.165 0.000 0.680 355 A CB 1.078 20.159 19.000 0.135 0.000 1.279 355 A HN 0.039 nan 8.150 nan 0.000 0.411 356 P HA 0.443 nan 4.420 nan 0.000 0.272 356 P C -0.702 176.675 177.300 0.127 0.000 1.240 356 P CA -0.318 62.909 63.100 0.212 0.000 0.791 356 P CB 0.424 32.209 31.700 0.140 0.000 0.978 357 R N 0.049 120.602 120.500 0.089 0.000 2.668 357 R HA 0.478 4.818 4.340 -0.000 0.000 0.279 357 R C -0.946 175.353 176.300 -0.000 0.000 0.976 357 R CA -0.851 55.276 56.100 0.045 0.000 0.978 357 R CB 0.695 31.021 30.300 0.043 0.000 1.133 357 R HN 0.251 nan 8.270 nan 0.000 0.484 358 D N 2.228 122.607 120.400 -0.034 0.000 2.389 358 D HA 0.158 4.798 4.640 -0.000 0.000 0.247 358 D C 0.051 176.263 176.300 -0.147 0.000 1.128 358 D CA 0.102 54.053 54.000 -0.082 0.000 0.884 358 D CB 0.915 41.671 40.800 -0.074 0.000 1.194 358 D HN 0.324 nan 8.370 nan 0.000 0.441 359 I N 1.840 122.290 120.570 -0.200 0.000 2.339 359 I HA 0.313 4.483 4.170 -0.000 0.000 0.290 359 I C 0.586 176.560 176.117 -0.237 0.000 0.994 359 I CA -0.777 60.333 61.300 -0.316 0.000 1.191 359 I CB 0.679 38.418 38.000 -0.435 0.000 1.343 359 I HN 0.251 nan 8.210 nan 0.000 0.458 360 A N 4.789 127.469 122.820 -0.232 0.000 2.264 360 A HA 0.690 5.010 4.320 -0.000 0.000 0.304 360 A C 1.235 178.723 177.584 -0.160 0.000 1.100 360 A CA 0.155 52.095 52.037 -0.162 0.000 0.839 360 A CB 0.797 19.719 19.000 -0.130 0.000 1.121 360 A HN 0.846 nan 8.150 nan 0.000 0.496 361 A N 0.664 123.425 122.820 -0.097 0.000 1.948 361 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 361 A C 2.172 179.716 177.584 -0.065 0.000 1.177 361 A CA 2.492 54.492 52.037 -0.061 0.000 0.636 361 A CB -1.202 17.778 19.000 -0.033 0.000 0.815 361 A HN 1.618 nan 8.150 nan 0.000 0.449 362 S N -0.432 115.221 115.700 -0.078 0.000 2.537 362 S HA -0.115 4.355 4.470 -0.000 0.000 0.240 362 S C 1.416 175.958 174.600 -0.096 0.000 0.981 362 S CA 1.255 59.414 58.200 -0.068 0.000 0.948 362 S CB -0.183 62.979 63.200 -0.063 0.000 0.759 362 S HN 0.632 nan 8.310 nan 0.000 0.531 363 E N 1.841 121.929 120.200 -0.186 0.000 2.268 363 E HA 0.130 4.480 4.350 -0.000 0.000 0.195 363 E C 1.441 178.001 176.600 -0.067 0.000 0.995 363 E CA 0.762 56.989 56.400 -0.288 0.000 0.836 363 E CB -0.787 28.462 29.700 -0.751 0.000 0.763 363 E HN 0.660 nan 8.360 nan 0.000 0.491 364 G N -0.268 108.547 108.800 0.025 0.000 2.147 364 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.244 364 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.244 364 G C -0.614 174.500 174.900 0.356 0.000 1.005 364 G CA 0.220 45.416 45.100 0.160 0.000 0.713 364 G HN 0.084 nan 8.290 nan 0.000 0.515 365 W N 0.528 121.834 121.300 0.009 0.000 2.338 365 W HA 0.748 5.408 4.660 0.000 0.000 0.307 365 W C 0.510 177.072 176.519 0.071 0.000 1.167 365 W CA -1.315 56.051 57.345 0.034 0.000 1.208 365 W CB 0.838 30.294 29.460 -0.005 0.000 1.228 365 W HN 0.281 nan 8.180 nan 0.000 0.499 366 E N 2.454 122.843 120.200 0.316 0.000 2.335 366 E HA 0.277 4.627 4.350 -0.000 0.000 0.280 366 E C -1.117 175.665 176.600 0.303 0.000 0.918 366 E CA -0.665 55.898 56.400 0.271 0.000 0.765 366 E CB 1.889 31.715 29.700 0.210 0.000 1.218 366 E HN 0.133 nan 8.360 nan 0.000 0.425 367 I N 5.739 126.464 120.570 0.259 0.000 2.471 367 I HA 0.066 4.236 4.170 -0.000 0.000 0.286 367 I C 0.565 176.811 176.117 0.216 0.000 1.079 367 I CA 0.394 61.803 61.300 0.182 0.000 1.398 367 I CB -0.130 37.928 38.000 0.095 0.000 1.403 367 I HN 0.586 nan 8.210 nan 0.000 0.530 368 F N 3.210 123.225 119.950 0.109 0.000 2.729 368 F HA 0.686 5.213 4.527 -0.000 0.000 0.315 368 F C 0.492 176.322 175.800 0.050 0.000 1.102 368 F CA -0.608 57.432 58.000 0.067 0.000 1.204 368 F CB 0.241 39.263 39.000 0.038 0.000 1.052 368 F HN 0.337 nan 8.300 nan 0.000 0.551 369 G N 1.263 109.972 108.800 -0.152 0.000 2.717 369 G HA2 0.511 4.471 3.960 -0.000 0.000 0.300 369 G HA3 0.511 4.471 3.960 -0.000 0.000 0.300 369 G C -2.611 172.312 174.900 0.039 0.000 1.424 369 G CA -0.636 44.419 45.100 -0.074 0.000 1.033 369 G HN 0.206 nan 8.290 nan 0.000 0.577 373 Q N -0.111 119.647 119.800 -0.071 0.000 2.140 373 Q HA 0.244 4.584 4.340 -0.000 0.000 0.227 373 Q C -0.515 175.254 176.000 -0.385 0.000 0.798 373 Q CA 0.319 55.981 55.803 -0.234 0.000 0.987 373 Q CB 1.786 30.337 28.738 -0.313 0.000 1.161 373 Q HN 0.392 nan 8.270 nan 0.000 0.480 374 H N -0.288 118.725 119.070 -0.095 0.000 2.928 374 H HA 0.732 5.288 4.556 -0.000 0.000 0.371 374 H C -1.067 174.157 175.328 -0.174 0.000 1.186 374 H CA -0.623 55.334 56.048 -0.152 0.000 1.134 374 H CB 1.999 31.628 29.762 -0.221 0.000 1.824 374 H HN 0.110 nan 8.280 nan 0.000 0.554 375 A N 1.223 123.987 122.820 -0.094 0.000 2.435 375 A HA 0.596 4.916 4.320 -0.000 0.000 0.304 375 A C -1.767 175.638 177.584 -0.298 0.000 1.064 375 A CA -0.679 51.267 52.037 -0.150 0.000 0.727 375 A CB 0.794 19.689 19.000 -0.175 0.000 1.284 375 A HN 0.593 nan 8.150 nan 0.000 0.415 376 Y N 0.811 120.889 120.300 -0.370 0.000 2.341 376 Y HA 0.509 5.059 4.550 -0.000 0.000 0.340 376 Y C -0.086 175.475 175.900 -0.564 0.000 0.997 376 Y CA -0.304 57.406 58.100 -0.650 0.000 1.149 376 Y CB 1.547 39.158 38.460 -1.415 0.000 1.171 376 Y HN 0.550 nan 8.280 nan 0.000 0.494 377 L N 5.250 126.426 121.223 -0.078 0.000 2.298 377 L HA 0.489 4.829 4.340 -0.000 0.000 0.284 377 L C -0.180 176.880 176.870 0.316 0.000 1.013 377 L CA -0.687 54.221 54.840 0.114 0.000 0.824 377 L CB 0.788 42.861 42.059 0.023 0.000 1.221 377 L HN 0.604 nan 8.230 nan 0.000 0.418 378 R N 6.271 127.083 120.500 0.519 0.000 2.389 378 R HA 0.593 4.933 4.340 -0.000 0.000 0.295 378 R C -0.825 175.535 176.300 0.100 0.000 1.075 378 R CA -0.207 56.070 56.100 0.295 0.000 1.005 378 R CB 0.396 30.785 30.300 0.148 0.000 0.987 378 R HN 0.805 nan 8.270 nan 0.000 0.452 379 I N 1.166 121.741 120.570 0.008 0.000 2.865 379 I HA 0.618 4.788 4.170 -0.000 0.000 0.302 379 I C -2.672 173.466 176.117 0.036 0.000 1.140 379 I CA -3.330 57.937 61.300 -0.055 0.000 1.021 379 I CB 2.626 40.432 38.000 -0.323 0.000 1.233 379 I HN 0.496 nan 8.210 nan 0.000 0.427 380 P HA 0.168 nan 4.420 nan 0.000 0.275 380 P C -0.206 177.124 177.300 0.049 0.000 1.227 380 P CA -0.036 63.111 63.100 0.078 0.000 0.781 380 P CB 0.949 32.714 31.700 0.109 0.000 0.906 381 A N 2.558 125.395 122.820 0.028 0.000 2.584 381 A HA 0.357 4.677 4.320 -0.000 0.000 0.239 381 A C 1.513 179.116 177.584 0.031 0.000 1.043 381 A CA 0.872 52.921 52.037 0.020 0.000 0.756 381 A CB -1.536 17.471 19.000 0.012 0.000 0.963 381 A HN 0.952 nan 8.150 nan 0.000 0.511 382 G N 0.752 109.567 108.800 0.026 0.000 2.143 382 G HA2 0.165 4.125 3.960 -0.000 0.000 0.249 382 G HA3 0.165 4.125 3.960 -0.000 0.000 0.249 382 G C 0.613 175.548 174.900 0.059 0.000 0.981 382 G CA 0.468 45.589 45.100 0.035 0.000 0.665 382 G HN 2.317 nan 8.290 nan 0.000 0.528 383 A N 0.024 122.888 122.820 0.073 0.000 2.555 383 A HA 0.402 4.722 4.320 -0.000 0.000 0.233 383 A C 0.715 178.373 177.584 0.124 0.000 1.060 383 A CA 0.908 53.033 52.037 0.146 0.000 0.759 383 A CB 0.252 19.318 19.000 0.109 0.000 0.995 383 A HN 0.652 nan 8.150 nan 0.000 0.506 384 D N 1.059 121.572 120.400 0.188 0.000 2.498 384 D HA 0.391 5.031 4.640 -0.000 0.000 0.229 384 D C -0.972 175.413 176.300 0.140 0.000 1.188 384 D CA 0.384 54.475 54.000 0.152 0.000 1.028 384 D CB -0.583 40.300 40.800 0.138 0.000 1.087 384 D HN 0.296 nan 8.370 nan 0.000 0.510 385 L N 2.455 123.717 121.223 0.066 0.000 2.545 385 L HA 0.508 4.848 4.340 -0.000 0.000 0.258 385 L C -1.449 175.434 176.870 0.023 0.000 0.942 385 L CA -0.477 54.357 54.840 -0.010 0.000 0.855 385 L CB 1.858 43.753 42.059 -0.274 0.000 1.374 385 L HN 0.084 nan 8.230 nan 0.000 0.411 386 K N 2.458 122.898 120.400 0.066 0.000 2.532 386 K HA 0.612 4.932 4.320 -0.000 0.000 0.265 386 K C -1.372 175.255 176.600 0.045 0.000 0.948 386 K CA -1.020 55.293 56.287 0.043 0.000 0.842 386 K CB 2.558 35.090 32.500 0.052 0.000 1.392 386 K HN 0.321 nan 8.250 nan 0.000 0.436 387 V N 1.916 121.840 119.914 0.018 0.000 2.681 387 V HA 0.000 4.120 4.120 -0.000 0.000 0.306 387 V C 1.389 177.493 176.094 0.017 0.000 1.077 387 V CA 2.187 64.494 62.300 0.012 0.000 1.224 387 V CB 0.208 32.025 31.823 -0.011 0.000 0.879 387 V HN 1.151 nan 8.190 nan 0.000 0.494 388 G N 3.453 112.270 108.800 0.028 0.000 2.195 388 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.246 388 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.246 388 G C 0.033 175.048 174.900 0.192 0.000 0.984 388 G CA 0.130 45.232 45.100 0.004 0.000 0.633 388 G HN 0.688 nan 8.290 nan 0.000 0.525 392 A N 5.704 127.931 122.820 -0.989 0.000 2.290 392 A HA 0.881 5.201 4.320 -0.000 0.000 0.310 392 A C -1.279 175.828 177.584 -0.795 0.000 1.202 392 A CA -0.086 51.194 52.037 -1.262 0.000 0.837 392 A CB 0.289 18.187 19.000 -1.837 0.000 1.139 392 A HN 0.449 nan 8.150 nan 0.000 0.509 393 F N 1.290 121.055 119.950 -0.308 0.000 2.469 393 F HA 0.342 4.869 4.527 -0.000 0.000 0.332 393 F C 0.161 175.909 175.800 -0.087 0.000 1.103 393 F CA -0.512 57.410 58.000 -0.131 0.000 0.979 393 F CB 1.787 40.751 39.000 -0.060 0.000 1.137 393 F HN 0.486 nan 8.300 nan 0.000 0.463 394 D N 3.442 123.907 120.400 0.107 0.000 2.313 394 D HA 0.472 5.112 4.640 -0.000 0.000 0.247 394 D C -0.127 176.226 176.300 0.088 0.000 1.094 394 D CA 0.123 54.172 54.000 0.081 0.000 0.925 394 D CB 1.414 42.239 40.800 0.042 0.000 1.188 394 D HN 0.454 nan 8.370 nan 0.000 0.430 395 I N -2.287 118.314 120.570 0.052 0.000 2.730 395 I HA 0.307 4.477 4.170 -0.000 0.000 0.298 395 I C 1.130 177.206 176.117 -0.068 0.000 1.089 395 I CA -0.841 60.459 61.300 0.001 0.000 1.041 395 I CB 2.179 40.193 38.000 0.023 0.000 1.235 395 I HN 0.195 nan 8.210 nan 0.000 0.423 396 S N 2.265 117.848 115.700 -0.195 0.000 2.382 396 S HA -0.113 4.357 4.470 -0.000 0.000 0.228 396 S C 0.599 174.942 174.600 -0.428 0.000 1.027 396 S CA 0.919 58.892 58.200 -0.379 0.000 0.991 396 S CB -0.757 62.078 63.200 -0.608 0.000 0.823 396 S HN 0.855 nan 8.310 nan 0.000 0.469 397 H N 1.816 120.879 119.070 -0.013 0.000 2.418 397 H HA 0.356 4.912 4.556 -0.000 0.000 0.238 397 H C -2.074 173.281 175.328 0.045 0.000 1.403 397 H CA -2.140 53.905 56.048 -0.005 0.000 1.419 397 H CB 1.131 30.887 29.762 -0.009 0.000 1.463 397 H HN 0.254 nan 8.280 nan 0.000 0.515 398 P HA -0.209 nan 4.420 nan 0.000 0.215 398 P C 1.098 178.572 177.300 0.289 0.000 1.153 398 P CA 1.063 64.277 63.100 0.189 0.000 0.853 398 P CB 0.238 32.038 31.700 0.166 0.000 0.788 399 c N -0.468 118.244 118.600 0.186 0.000 2.413 399 c HA -0.085 4.485 4.570 -0.000 0.000 0.277 399 c C 2.784 176.997 174.090 0.205 0.000 1.265 399 c CA 0.636 57.020 56.329 0.092 0.000 1.752 399 c CB -1.897 40.597 42.510 -0.027 0.000 1.998 399 c HN 0.198 nan 8.230 nan 0.000 0.489 400 L N -0.116 121.219 121.223 0.187 0.000 2.622 400 L HA -0.048 4.292 4.340 -0.000 0.000 0.233 400 L C 2.287 179.260 176.870 0.173 0.000 1.156 400 L CA 0.985 55.917 54.840 0.154 0.000 0.866 400 L CB -0.701 41.431 42.059 0.121 0.000 0.980 400 L HN 0.356 nan 8.230 nan 0.000 0.448 401 T N -1.555 113.156 114.554 0.262 0.000 3.054 401 T HA 0.092 4.442 4.350 -0.000 0.000 0.255 401 T C 1.405 176.306 174.700 0.334 0.000 1.035 401 T CA -0.138 62.111 62.100 0.249 0.000 0.941 401 T CB 0.008 69.020 68.868 0.240 0.000 1.026 401 T HN 0.078 nan 8.240 nan 0.000 0.533 402 F N 2.711 122.755 119.950 0.156 0.000 2.202 402 F HA -0.037 4.490 4.527 -0.000 0.000 0.301 402 F C 2.144 177.962 175.800 0.030 0.000 1.082 402 F CA 1.343 59.483 58.000 0.234 0.000 1.313 402 F CB -0.109 39.090 39.000 0.331 0.000 1.024 402 F HN 0.338 nan 8.300 nan 0.000 0.495 403 D N -0.650 119.545 120.400 -0.342 0.000 2.363 403 D HA -0.112 4.528 4.640 -0.000 0.000 0.226 403 D C 1.322 177.404 176.300 -0.363 0.000 1.020 403 D CA 0.607 54.015 54.000 -0.987 0.000 0.892 403 D CB -0.348 39.562 40.800 -1.484 0.000 0.900 403 D HN 0.114 nan 8.370 nan 0.000 0.531 404 K N -0.425 119.858 120.400 -0.195 0.000 2.426 404 K HA 0.064 4.384 4.320 -0.000 0.000 0.193 404 K C -0.313 175.866 176.600 -0.702 0.000 1.028 404 K CA 0.078 56.133 56.287 -0.387 0.000 1.047 404 K CB 0.087 32.352 32.500 -0.391 0.000 0.821 404 K HN 0.261 nan 8.250 nan 0.000 0.513 405 W N 0.709 121.971 121.300 -0.064 0.000 2.619 405 W HA 0.380 5.040 4.660 0.000 0.000 0.327 405 W C 1.029 177.563 176.519 0.025 0.000 1.027 405 W CA -0.818 56.495 57.345 -0.054 0.000 1.233 405 W CB 1.095 30.465 29.460 -0.151 0.000 1.370 405 W HN -0.209 nan 8.180 nan 0.000 0.453 406 R N 0.918 121.529 120.500 0.185 0.000 2.161 406 R HA 0.056 4.396 4.340 -0.000 0.000 0.213 406 R C 0.129 176.502 176.300 0.121 0.000 1.055 406 R CA 0.721 56.901 56.100 0.133 0.000 0.996 406 R CB 0.284 30.621 30.300 0.061 0.000 0.901 406 R HN 0.372 nan 8.270 nan 0.000 0.456 407 Q N 0.669 120.575 119.800 0.176 0.000 2.285 407 Q HA 0.371 4.711 4.340 -0.000 0.000 0.269 407 Q C -1.309 174.743 176.000 0.086 0.000 1.030 407 Q CA -0.497 55.378 55.803 0.120 0.000 0.788 407 Q CB 3.039 31.846 28.738 0.116 0.000 1.266 407 Q HN -0.119 nan 8.270 nan 0.000 0.438 408 V N 3.416 123.312 119.914 -0.030 0.000 2.495 408 V HA 0.473 4.593 4.120 -0.000 0.000 0.298 408 V C 0.100 176.119 176.094 -0.124 0.000 1.031 408 V CA -0.762 61.415 62.300 -0.205 0.000 0.871 408 V CB 1.795 33.405 31.823 -0.354 0.000 0.988 408 V HN 0.610 nan 8.190 nan 0.000 0.432 409 L N 4.290 125.411 121.223 -0.169 0.000 2.399 409 L HA 0.600 4.940 4.340 -0.000 0.000 0.266 409 L C -0.454 176.341 176.870 -0.125 0.000 1.114 409 L CA -0.626 54.157 54.840 -0.096 0.000 0.804 409 L CB 1.438 43.438 42.059 -0.099 0.000 1.146 409 L HN 0.343 nan 8.230 nan 0.000 0.451 410 V N 2.796 122.664 119.914 -0.078 0.000 2.448 410 V HA 0.477 4.597 4.120 -0.000 0.000 0.295 410 V C -0.088 175.954 176.094 -0.088 0.000 1.025 410 V CA -0.670 61.578 62.300 -0.087 0.000 0.859 410 V CB 1.925 33.726 31.823 -0.036 0.000 0.988 410 V HN 0.544 nan 8.190 nan 0.000 0.431 411 V N 1.157 120.996 119.914 -0.126 0.000 2.864 411 V HA 0.828 4.948 4.120 -0.000 0.000 0.314 411 V C -0.418 175.646 176.094 -0.049 0.000 1.073 411 V CA -0.787 61.458 62.300 -0.092 0.000 0.956 411 V CB 2.000 33.753 31.823 -0.118 0.000 1.023 411 V HN 0.859 nan 8.190 nan 0.000 0.435 412 D N 2.751 123.119 120.400 -0.054 0.000 2.411 412 D HA 0.438 5.078 4.640 -0.000 0.000 0.251 412 D C -2.075 174.151 176.300 -0.124 0.000 1.201 412 D CA -2.208 51.759 54.000 -0.054 0.000 0.996 412 D CB 0.421 41.195 40.800 -0.044 0.000 1.101 412 D HN 0.335 nan 8.370 nan 0.000 0.504 413 P HA 0.034 nan 4.420 nan 0.000 0.225 413 P C 0.561 177.682 177.300 -0.298 0.000 1.148 413 P CA 1.545 64.510 63.100 -0.226 0.000 0.779 413 P CB 0.033 31.658 31.700 -0.125 0.000 0.780 414 A N -2.160 120.561 122.820 -0.165 0.000 2.337 414 A HA 0.120 4.440 4.320 -0.000 0.000 0.227 414 A C -0.062 177.551 177.584 0.048 0.000 1.259 414 A CA -0.295 51.714 52.037 -0.046 0.000 0.870 414 A CB -1.123 17.876 19.000 -0.001 0.000 0.927 414 A HN 0.110 nan 8.150 nan 0.000 0.497 415 Y N -1.517 118.760 120.300 -0.039 0.000 4.490 415 Y HA -0.242 4.308 4.550 0.000 0.000 0.233 415 Y C 0.655 176.489 175.900 -0.109 0.000 1.101 415 Y CA 0.742 58.779 58.100 -0.105 0.000 2.010 415 Y CB -2.203 36.125 38.460 -0.220 0.000 1.622 415 Y HN 0.460 nan 8.280 nan 0.000 0.675 416 R N 0.417 120.925 120.500 0.014 0.000 2.340 416 R HA 0.478 4.818 4.340 -0.000 0.000 0.300 416 R C -0.025 176.271 176.300 -0.006 0.000 1.069 416 R CA -0.694 55.412 56.100 0.010 0.000 0.984 416 R CB 1.142 31.440 30.300 -0.003 0.000 1.003 416 R HN -0.034 nan 8.270 nan 0.000 0.459 417 V N 3.327 123.256 119.914 0.025 0.000 2.479 417 V HA -0.027 4.093 4.120 -0.000 0.000 0.281 417 V C 1.477 177.540 176.094 -0.052 0.000 1.031 417 V CA 0.546 62.855 62.300 0.016 0.000 1.038 417 V CB 1.008 32.925 31.823 0.156 0.000 0.981 417 V HN 0.995 nan 8.190 nan 0.000 0.478 418 T N 0.856 115.377 114.554 -0.055 0.000 2.990 418 T HA 0.293 4.643 4.350 -0.000 0.000 0.250 418 T C 0.330 174.985 174.700 -0.076 0.000 1.041 418 T CA 0.064 62.124 62.100 -0.067 0.000 1.010 418 T CB 0.495 69.336 68.868 -0.044 0.000 1.003 418 T HN 0.658 nan 8.240 nan 0.000 0.499 419 E N -0.112 120.049 120.200 -0.066 0.000 2.388 419 E HA 0.498 4.848 4.350 -0.000 0.000 0.281 419 E C -2.151 174.430 176.600 -0.031 0.000 1.046 419 E CA -0.761 55.605 56.400 -0.057 0.000 0.825 419 E CB 2.355 32.037 29.700 -0.030 0.000 1.243 419 E HN 0.023 nan 8.360 nan 0.000 0.438 420 V N 3.803 123.705 119.914 -0.021 0.000 2.513 420 V HA 0.492 4.612 4.120 -0.000 0.000 0.299 420 V C -0.028 176.077 176.094 0.018 0.000 1.035 420 V CA -0.582 61.730 62.300 0.021 0.000 0.889 420 V CB 1.480 33.340 31.823 0.060 0.000 0.988 420 V HN 0.558 nan 8.190 nan 0.000 0.440 421 I N 4.513 125.099 120.570 0.025 0.000 2.339 421 I HA 0.369 4.539 4.170 -0.000 0.000 0.290 421 I C 0.420 176.566 176.117 0.047 0.000 0.994 421 I CA -0.349 60.977 61.300 0.043 0.000 1.191 421 I CB 1.490 39.535 38.000 0.074 0.000 1.343 421 I HN 0.801 nan 8.210 nan 0.000 0.458 422 E N 4.796 125.015 120.200 0.032 0.000 2.283 422 E HA 0.504 4.854 4.350 -0.000 0.000 0.271 422 E C -0.693 175.898 176.600 -0.015 0.000 1.031 422 E CA -0.704 55.681 56.400 -0.024 0.000 0.868 422 E CB 1.569 31.202 29.700 -0.113 0.000 1.094 422 E HN 0.534 nan 8.360 nan 0.000 0.401 423 T N -0.754 113.760 114.554 -0.067 0.000 2.912 423 T HA 0.531 4.881 4.350 -0.000 0.000 0.288 423 T C -0.749 173.769 174.700 -0.304 0.000 1.030 423 T CA -0.876 61.219 62.100 -0.008 0.000 1.020 423 T CB 0.576 69.644 68.868 0.335 0.000 1.056 423 T HN 0.406 nan 8.240 nan 0.000 0.480 424 F N 2.064 121.897 119.950 -0.195 0.000 2.449 424 F HA 0.548 5.075 4.527 -0.000 0.000 0.344 424 F C -0.667 175.023 175.800 -0.183 0.000 1.180 424 F CA -1.084 56.849 58.000 -0.112 0.000 1.209 424 F CB 0.196 39.117 39.000 -0.132 0.000 1.440 424 F HN 0.490 nan 8.300 nan 0.000 0.526 425 F N 0.000 120.133 119.950 0.306 0.000 2.286 425 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 425 F CA 0.000 58.160 58.000 0.266 0.000 1.383 425 F CB 0.000 39.102 39.000 0.169 0.000 1.145 425 F HN 0.000 nan 8.300 nan 0.000 0.574