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 1fa0_1_B DATA FIRST_RESID 2 DATA SEQUENCE SSQKVFGITG PVSTVGATAA ENKLNDSLIQ ELKKEGSFET EQETANRVQV DATA SEQUENCE LKILQELAQR FVYEVSKKKN MSDGMARDAG GKIFTYGSYR LGVHGPGSDI DATA SEQUENCE DTLVVVPKHV TREDFFTVFD SLLRERKELD EIAPVPDAFV PIIKIKFSGI DATA SEQUENCE SIDLICARLD QPQVPLSLTL SDKNLLRNLD EKDLRALNGT RVTDEILELV DATA SEQUENCE PKPNVFRIAL RAIKLWAQRR AVYANIFGFP GGVAWAMLVA RICQLYPNAC DATA SEQUENCE SAVILNRFFI ILSEWNWPQP VILKPIEDGP LQVRVWNPKI YAQDRSHRMP DATA SEQUENCE VITPAYPSMC ATHNITESTK KVILQEFVRG VQITNDIFSN KKSWANLFEK DATA SEQUENCE NDFFFRYKFY LEITAYTRGS DEQHLKWSGL VESKVRLLVM KLEVLAGIKI DATA SEQUENCE AHPFTKPFES SYCCPTEDDY EMIQDKYGSH KTETALNALK LVTXXXXXXX DATA SEQUENCE XXXXXPKAYL STMYIGLDFN IXXXXXXVDI HIPCTEFVNL CRSFNEDYGD DATA SEQUENCE HKVFNLALRF VKGYDLPDEV FDENEKRPS 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.541 174.600 -0.099 0.000 1.055 2 S CA 0.000 58.153 58.200 -0.078 0.000 1.107 2 S CB 0.000 63.164 63.200 -0.059 0.000 0.593 3 S N 0.310 115.913 115.700 -0.162 0.000 2.686 3 S HA 0.372 4.842 4.470 -0.000 0.000 0.273 3 S C -0.300 174.109 174.600 -0.318 0.000 1.060 3 S CA -0.531 57.565 58.200 -0.172 0.000 0.845 3 S CB 0.374 63.502 63.200 -0.120 0.000 1.086 3 S HN 0.048 nan 8.310 nan 0.000 0.461 4 Q N 0.437 120.071 119.800 -0.277 0.000 2.500 4 Q HA -0.007 4.332 4.340 -0.000 0.000 0.213 4 Q C 1.166 176.952 176.000 -0.356 0.000 0.974 4 Q CA 0.587 56.146 55.803 -0.407 0.000 0.918 4 Q CB -0.177 28.507 28.738 -0.091 0.000 0.980 4 Q HN 0.512 nan 8.270 nan 0.000 0.505 5 K N 0.434 120.693 120.400 -0.236 0.000 2.280 5 K HA -0.092 4.228 4.320 -0.000 0.000 0.202 5 K C 1.999 178.495 176.600 -0.174 0.000 1.047 5 K CA 1.207 57.408 56.287 -0.144 0.000 0.942 5 K CB -0.297 32.142 32.500 -0.101 0.000 0.739 5 K HN 0.242 nan 8.250 nan 0.000 0.457 6 V N -1.854 117.864 119.914 -0.327 0.000 3.305 6 V HA -0.061 4.059 4.120 -0.000 0.000 0.269 6 V C 1.210 177.240 176.094 -0.107 0.000 1.157 6 V CA 1.068 63.215 62.300 -0.254 0.000 1.157 6 V CB -0.903 30.746 31.823 -0.290 0.000 0.772 6 V HN -0.026 nan 8.190 nan 0.000 0.498 7 F N 2.175 122.122 119.950 -0.005 0.000 2.693 7 F HA 0.702 5.229 4.527 -0.000 0.000 0.303 7 F C 1.601 177.395 175.800 -0.009 0.000 1.097 7 F CA -0.553 57.441 58.000 -0.009 0.000 1.330 7 F CB -0.632 38.358 39.000 -0.015 0.000 1.067 7 F HN 0.447 nan 8.300 nan 0.000 0.565 8 G N 1.496 110.373 108.800 0.129 0.000 2.846 8 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.660 8 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.660 8 G C 0.791 175.740 174.900 0.080 0.000 1.464 8 G CA -0.344 44.810 45.100 0.090 0.000 0.891 8 G HN 0.559 nan 8.290 nan 0.000 0.552 9 I N -1.613 118.995 120.570 0.064 0.000 3.369 9 I HA 0.150 4.319 4.170 -0.000 0.000 0.288 9 I C 1.487 177.629 176.117 0.042 0.000 1.321 9 I CA 1.696 63.028 61.300 0.052 0.000 1.358 9 I CB -0.636 37.396 38.000 0.053 0.000 1.038 9 I HN 0.766 nan 8.210 nan 0.000 0.516 10 T N -2.655 111.924 114.554 0.042 0.000 3.087 10 T HA 0.540 4.889 4.350 -0.000 0.000 0.283 10 T C 0.848 175.554 174.700 0.011 0.000 0.956 10 T CA 0.148 62.256 62.100 0.013 0.000 0.894 10 T CB 0.198 69.057 68.868 -0.014 0.000 1.160 10 T HN 0.830 nan 8.240 nan 0.000 0.532 11 G N 3.005 111.838 108.800 0.054 0.000 2.846 11 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.660 11 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.660 11 G C -2.862 172.013 174.900 -0.042 0.000 1.464 11 G CA -0.592 44.543 45.100 0.059 0.000 0.891 11 G HN 0.453 nan 8.290 nan 0.000 0.552 12 P HA 0.297 nan 4.420 nan 0.000 0.272 12 P C 1.112 178.250 177.300 -0.270 0.000 1.230 12 P CA 0.097 63.035 63.100 -0.270 0.000 0.788 12 P CB 1.038 32.485 31.700 -0.423 0.000 0.949 13 V N -0.237 119.438 119.914 -0.397 0.000 2.599 13 V HA 0.030 4.150 4.120 -0.000 0.000 0.245 13 V C 1.354 177.311 176.094 -0.228 0.000 1.046 13 V CA 1.508 63.615 62.300 -0.322 0.000 1.065 13 V CB -0.324 31.235 31.823 -0.440 0.000 0.703 13 V HN 0.779 nan 8.190 nan 0.000 0.464 14 S N -0.652 114.886 115.700 -0.269 0.000 2.537 14 S HA 0.405 4.875 4.470 -0.000 0.000 0.270 14 S C 0.258 174.804 174.600 -0.089 0.000 1.142 14 S CA 0.209 58.354 58.200 -0.091 0.000 0.870 14 S CB 2.069 65.319 63.200 0.084 0.000 1.112 14 S HN 0.421 nan 8.310 nan 0.000 0.466 15 T N 0.284 114.793 114.554 -0.075 0.000 3.129 15 T HA 0.332 4.682 4.350 -0.000 0.000 0.267 15 T C 0.288 174.986 174.700 -0.003 0.000 1.018 15 T CA -0.111 61.939 62.100 -0.083 0.000 0.903 15 T CB -0.182 68.588 68.868 -0.163 0.000 1.067 15 T HN 0.413 nan 8.240 nan 0.000 0.549 16 V N 2.338 122.274 119.914 0.036 0.000 2.673 16 V HA 0.494 4.614 4.120 -0.000 0.000 0.303 16 V C 1.462 177.598 176.094 0.069 0.000 1.046 16 V CA -0.243 62.088 62.300 0.051 0.000 1.126 16 V CB 0.406 32.265 31.823 0.060 0.000 0.934 16 V HN 0.618 nan 8.190 nan 0.000 0.487 17 G N 2.718 111.551 108.800 0.056 0.000 2.599 17 G HA2 0.516 4.476 3.960 -0.000 0.000 0.264 17 G HA3 0.516 4.476 3.960 -0.000 0.000 0.264 17 G C 0.061 174.999 174.900 0.064 0.000 1.200 17 G CA -0.097 45.040 45.100 0.061 0.000 0.896 17 G HN 1.186 nan 8.290 nan 0.000 0.536 18 A N 0.475 123.334 122.820 0.064 0.000 2.409 18 A HA 0.566 4.886 4.320 -0.000 0.000 0.262 18 A C 1.087 178.699 177.584 0.046 0.000 1.113 18 A CA 0.272 52.346 52.037 0.062 0.000 0.790 18 A CB -0.167 18.870 19.000 0.063 0.000 1.046 18 A HN 1.294 nan 8.150 nan 0.000 0.496 19 T N -0.123 114.458 114.554 0.044 0.000 2.868 19 T HA 0.447 4.797 4.350 -0.000 0.000 0.292 19 T C 1.388 176.097 174.700 0.016 0.000 1.028 19 T CA -0.033 62.084 62.100 0.029 0.000 1.059 19 T CB 1.099 69.984 68.868 0.029 0.000 0.991 19 T HN 1.221 nan 8.240 nan 0.000 0.531 20 A N 1.777 124.602 122.820 0.009 0.000 1.948 20 A HA 0.093 4.412 4.320 -0.000 0.000 0.220 20 A C 2.636 180.212 177.584 -0.013 0.000 1.177 20 A CA 2.083 54.120 52.037 0.001 0.000 0.636 20 A CB -1.592 17.408 19.000 -0.000 0.000 0.815 20 A HN 1.283 nan 8.150 nan 0.000 0.449 21 A N -0.063 122.745 122.820 -0.020 0.000 1.841 21 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 21 A C 1.875 179.410 177.584 -0.082 0.000 1.199 21 A CA 1.878 53.886 52.037 -0.049 0.000 0.621 21 A CB -0.863 18.110 19.000 -0.046 0.000 0.835 21 A HN 0.613 nan 8.150 nan 0.000 0.445 22 E N -0.077 120.080 120.200 -0.071 0.000 2.086 22 E HA -0.232 4.118 4.350 -0.000 0.000 0.200 22 E C 1.898 178.474 176.600 -0.040 0.000 1.012 22 E CA 1.367 57.715 56.400 -0.087 0.000 0.812 22 E CB -0.285 29.431 29.700 0.028 0.000 0.743 22 E HN 0.567 nan 8.360 nan 0.000 0.453 23 N N 0.673 119.368 118.700 -0.008 0.000 2.205 23 N HA -0.187 4.553 4.740 -0.000 0.000 0.186 23 N C 1.642 177.153 175.510 0.001 0.000 1.015 23 N CA 0.931 53.985 53.050 0.007 0.000 0.862 23 N CB -0.116 38.377 38.487 0.010 0.000 0.986 23 N HN 0.171 nan 8.380 nan 0.000 0.429 24 K N 1.136 121.527 120.400 -0.015 0.000 2.001 24 K HA 0.008 4.328 4.320 -0.000 0.000 0.208 24 K C 2.134 178.745 176.600 0.018 0.000 1.048 24 K CA 0.616 56.899 56.287 -0.008 0.000 0.932 24 K CB -0.108 32.376 32.500 -0.027 0.000 0.715 24 K HN 0.036 nan 8.250 nan 0.000 0.437 25 L N 1.689 122.901 121.223 -0.018 0.000 2.187 25 L HA -0.240 4.100 4.340 -0.000 0.000 0.213 25 L C 2.501 179.526 176.870 0.259 0.000 1.100 25 L CA 1.104 55.985 54.840 0.069 0.000 0.765 25 L CB -0.594 41.333 42.059 -0.221 0.000 0.904 25 L HN 0.431 nan 8.230 nan 0.000 0.437 26 N N -0.139 118.625 118.700 0.106 0.000 2.171 26 N HA -0.195 4.545 4.740 -0.000 0.000 0.184 26 N C 1.388 176.905 175.510 0.011 0.000 1.021 26 N CA 1.365 54.446 53.050 0.050 0.000 0.854 26 N CB 0.016 38.522 38.487 0.031 0.000 0.994 26 N HN 0.298 nan 8.380 nan 0.000 0.426 27 D N 0.565 120.982 120.400 0.029 0.000 2.104 27 D HA -0.132 4.507 4.640 -0.000 0.000 0.194 27 D C 2.095 178.414 176.300 0.032 0.000 0.994 27 D CA 1.697 55.705 54.000 0.014 0.000 0.830 27 D CB -0.230 40.577 40.800 0.013 0.000 0.959 27 D HN 0.456 nan 8.370 nan 0.000 0.452 28 S N 0.898 116.658 115.700 0.100 0.000 2.383 28 S HA -0.184 4.286 4.470 -0.000 0.000 0.229 28 S C 2.104 176.764 174.600 0.100 0.000 1.030 28 S CA 0.715 59.012 58.200 0.162 0.000 1.002 28 S CB -0.671 62.698 63.200 0.280 0.000 0.829 28 S HN 0.192 nan 8.310 nan 0.000 0.467 29 L N 2.019 123.171 121.223 -0.117 0.000 2.012 29 L HA -0.057 4.282 4.340 -0.000 0.000 0.210 29 L C 2.245 178.981 176.870 -0.224 0.000 1.073 29 L CA 1.632 56.079 54.840 -0.654 0.000 0.748 29 L CB -0.804 40.668 42.059 -0.979 0.000 0.891 29 L HN 0.268 nan 8.230 nan 0.000 0.431 30 I N -0.613 119.900 120.570 -0.096 0.000 2.163 30 I HA -0.307 3.863 4.170 -0.000 0.000 0.243 30 I C 2.575 178.729 176.117 0.062 0.000 1.085 30 I CA 1.546 62.858 61.300 0.020 0.000 1.347 30 I CB -1.464 36.518 38.000 -0.029 0.000 1.044 30 I HN 0.422 nan 8.210 nan 0.000 0.408 31 Q N 1.098 120.913 119.800 0.026 0.000 2.181 31 Q HA -0.248 4.092 4.340 -0.000 0.000 0.205 31 Q C 2.050 178.105 176.000 0.092 0.000 0.980 31 Q CA 1.804 57.635 55.803 0.046 0.000 0.862 31 Q CB -0.178 28.586 28.738 0.043 0.000 0.905 31 Q HN 0.439 nan 8.270 nan 0.000 0.429 32 E N -0.749 119.518 120.200 0.111 0.000 2.152 32 E HA -0.056 4.293 4.350 -0.000 0.000 0.192 32 E C 1.570 178.271 176.600 0.167 0.000 0.983 32 E CA 0.773 57.275 56.400 0.170 0.000 0.818 32 E CB -0.121 29.728 29.700 0.248 0.000 0.758 32 E HN 0.456 nan 8.360 nan 0.000 0.467 33 L N 0.164 121.472 121.223 0.142 0.000 2.217 33 L HA -0.098 4.242 4.340 -0.000 0.000 0.211 33 L C 2.236 179.209 176.870 0.172 0.000 1.107 33 L CA 0.675 55.564 54.840 0.081 0.000 0.783 33 L CB -0.319 41.759 42.059 0.032 0.000 0.919 33 L HN 0.025 nan 8.230 nan 0.000 0.442 34 K N 0.700 121.252 120.400 0.253 0.000 1.985 34 K HA -0.212 4.108 4.320 -0.000 0.000 0.210 34 K C 2.022 178.695 176.600 0.120 0.000 1.047 34 K CA 1.328 57.746 56.287 0.218 0.000 0.932 34 K CB -0.373 32.180 32.500 0.089 0.000 0.716 34 K HN 0.172 nan 8.250 nan 0.000 0.439 35 K N 1.327 121.783 120.400 0.094 0.000 2.113 35 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 35 K C 1.711 178.346 176.600 0.058 0.000 1.047 35 K CA 1.661 57.991 56.287 0.071 0.000 0.928 35 K CB -0.007 32.542 32.500 0.081 0.000 0.716 35 K HN -0.057 nan 8.250 nan 0.000 0.446 36 E N -0.439 119.794 120.200 0.056 0.000 2.511 36 E HA 0.041 4.391 4.350 -0.000 0.000 0.196 36 E C 0.371 176.958 176.600 -0.022 0.000 1.066 36 E CA 0.730 57.137 56.400 0.012 0.000 0.871 36 E CB 0.063 29.752 29.700 -0.019 0.000 0.863 36 E HN 0.501 nan 8.360 nan 0.000 0.520 37 G N 0.272 109.077 108.800 0.009 0.000 2.221 37 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.265 37 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.265 37 G C 0.953 175.819 174.900 -0.056 0.000 1.041 37 G CA 0.709 45.808 45.100 -0.001 0.000 0.807 37 G HN 0.351 nan 8.290 nan 0.000 0.502 38 S N -0.895 114.741 115.700 -0.107 0.000 2.335 38 S HA 0.219 4.688 4.470 -0.000 0.000 0.216 38 S C 1.290 175.683 174.600 -0.345 0.000 1.032 38 S CA 1.092 59.094 58.200 -0.330 0.000 1.000 38 S CB -0.194 62.638 63.200 -0.614 0.000 0.928 38 S HN 0.484 nan 8.310 nan 0.000 0.434 39 F N 2.615 122.495 119.950 -0.118 0.000 2.490 39 F HA 0.332 4.859 4.527 -0.000 0.000 0.336 39 F C 0.865 176.599 175.800 -0.109 0.000 1.178 39 F CA -0.574 57.348 58.000 -0.130 0.000 1.301 39 F CB 0.256 39.197 39.000 -0.099 0.000 1.175 39 F HN 0.369 nan 8.300 nan 0.000 0.593 40 E N -0.777 119.464 120.200 0.067 0.000 2.243 40 E HA 0.519 4.869 4.350 -0.000 0.000 0.260 40 E C -0.733 175.905 176.600 0.063 0.000 0.985 40 E CA -1.048 55.376 56.400 0.040 0.000 0.858 40 E CB 1.401 31.110 29.700 0.015 0.000 1.210 40 E HN 0.598 nan 8.360 nan 0.000 0.411 41 T N -1.579 113.006 114.554 0.052 0.000 2.882 41 T HA 0.126 4.476 4.350 -0.000 0.000 0.287 41 T C 0.846 175.577 174.700 0.053 0.000 1.014 41 T CA -0.407 61.718 62.100 0.042 0.000 1.049 41 T CB 1.131 70.017 68.868 0.030 0.000 1.001 41 T HN 0.601 nan 8.240 nan 0.000 0.525 42 E N 0.299 120.523 120.200 0.040 0.000 2.118 42 E HA -0.244 4.105 4.350 -0.000 0.000 0.195 42 E C 2.052 178.684 176.600 0.054 0.000 0.992 42 E CA 1.276 57.705 56.400 0.047 0.000 0.804 42 E CB -0.095 29.622 29.700 0.029 0.000 0.741 42 E HN 0.741 nan 8.360 nan 0.000 0.458 43 Q N 1.218 121.044 119.800 0.042 0.000 2.123 43 Q HA -0.153 4.187 4.340 -0.000 0.000 0.199 43 Q C 1.639 177.669 176.000 0.050 0.000 0.966 43 Q CA 1.453 57.280 55.803 0.040 0.000 0.845 43 Q CB 0.121 28.875 28.738 0.027 0.000 0.907 43 Q HN 0.290 nan 8.270 nan 0.000 0.439 44 E N -0.758 119.477 120.200 0.058 0.000 2.077 44 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 44 E C 1.950 178.611 176.600 0.100 0.000 0.989 44 E CA 1.594 58.036 56.400 0.069 0.000 0.800 44 E CB -0.144 29.598 29.700 0.071 0.000 0.746 44 E HN 0.382 nan 8.360 nan 0.000 0.452 45 T N 1.354 115.987 114.554 0.132 0.000 2.622 45 T HA -0.214 4.136 4.350 -0.000 0.000 0.266 45 T C 2.091 176.874 174.700 0.139 0.000 1.047 45 T CA 1.564 63.778 62.100 0.190 0.000 1.159 45 T CB -0.402 68.580 68.868 0.191 0.000 0.863 45 T HN 0.292 nan 8.240 nan 0.000 0.422 46 A N 2.509 125.388 122.820 0.098 0.000 1.997 46 A HA -0.238 4.081 4.320 -0.000 0.000 0.221 46 A C 2.207 179.827 177.584 0.061 0.000 1.172 46 A CA 1.800 53.881 52.037 0.074 0.000 0.645 46 A CB -0.688 18.344 19.000 0.054 0.000 0.813 46 A HN 0.465 nan 8.150 nan 0.000 0.454 47 N N -0.315 118.418 118.700 0.055 0.000 2.142 47 N HA -0.121 4.619 4.740 -0.000 0.000 0.186 47 N C 1.853 177.381 175.510 0.029 0.000 1.023 47 N CA 1.359 54.433 53.050 0.041 0.000 0.852 47 N CB -0.438 38.070 38.487 0.035 0.000 0.998 47 N HN 0.565 nan 8.380 nan 0.000 0.424 48 R N 0.645 121.155 120.500 0.016 0.000 2.080 48 R HA -0.039 4.301 4.340 -0.000 0.000 0.236 48 R C 2.238 178.497 176.300 -0.068 0.000 1.137 48 R CA 1.009 57.060 56.100 -0.081 0.000 0.943 48 R CB -0.662 29.534 30.300 -0.174 0.000 0.846 48 R HN 0.010 nan 8.270 nan 0.000 0.431 49 V N 1.271 121.199 119.914 0.023 0.000 2.324 49 V HA -0.289 3.831 4.120 -0.000 0.000 0.250 49 V C 2.561 178.672 176.094 0.028 0.000 1.060 49 V CA 1.745 64.075 62.300 0.051 0.000 1.042 49 V CB -0.522 31.353 31.823 0.086 0.000 0.650 49 V HN 0.364 nan 8.190 nan 0.000 0.450 50 Q N -0.403 119.418 119.800 0.035 0.000 2.079 50 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 50 Q C 2.323 178.357 176.000 0.056 0.000 0.974 50 Q CA 1.656 57.485 55.803 0.043 0.000 0.840 50 Q CB -0.322 28.444 28.738 0.047 0.000 0.898 50 Q HN 0.584 nan 8.270 nan 0.000 0.430 51 V N 1.271 121.222 119.914 0.061 0.000 2.287 51 V HA -0.280 3.839 4.120 -0.000 0.000 0.248 51 V C 2.523 178.602 176.094 -0.025 0.000 1.053 51 V CA 1.468 63.822 62.300 0.090 0.000 1.027 51 V CB -0.683 31.192 31.823 0.088 0.000 0.646 51 V HN 0.298 nan 8.190 nan 0.000 0.447 52 L N -0.546 120.647 121.223 -0.050 0.000 2.083 52 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 52 L C 2.739 179.592 176.870 -0.029 0.000 1.083 52 L CA 1.353 56.157 54.840 -0.059 0.000 0.752 52 L CB -0.674 41.352 42.059 -0.054 0.000 0.899 52 L HN 0.270 nan 8.230 nan 0.000 0.433 53 K N 0.362 120.759 120.400 -0.005 0.000 2.063 53 K HA -0.113 4.206 4.320 -0.000 0.000 0.208 53 K C 2.003 178.608 176.600 0.009 0.000 1.048 53 K CA 1.453 57.743 56.287 0.005 0.000 0.928 53 K CB -0.326 32.184 32.500 0.018 0.000 0.713 53 K HN 0.368 nan 8.250 nan 0.000 0.442 54 I N 0.760 121.339 120.570 0.016 0.000 2.353 54 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 54 I C 2.302 178.402 176.117 -0.028 0.000 1.119 54 I CA 0.627 61.940 61.300 0.022 0.000 1.417 54 I CB -0.206 37.851 38.000 0.096 0.000 1.078 54 I HN 0.025 nan 8.210 nan 0.000 0.421 55 L N 0.245 121.418 121.223 -0.083 0.000 1.994 55 L HA -0.263 4.077 4.340 -0.000 0.000 0.208 55 L C 2.738 179.638 176.870 0.049 0.000 1.071 55 L CA 1.449 56.252 54.840 -0.061 0.000 0.745 55 L CB -0.616 41.389 42.059 -0.090 0.000 0.892 55 L HN 0.263 nan 8.230 nan 0.000 0.431 56 Q N 0.771 120.584 119.800 0.021 0.000 2.077 56 Q HA -0.273 4.066 4.340 -0.000 0.000 0.206 56 Q C 1.892 177.927 176.000 0.059 0.000 0.989 56 Q CA 2.140 57.960 55.803 0.029 0.000 0.853 56 Q CB -0.198 28.535 28.738 -0.009 0.000 0.907 56 Q HN 0.475 nan 8.270 nan 0.000 0.418 57 E N -0.193 120.035 120.200 0.047 0.000 2.058 57 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 57 E C 2.141 178.800 176.600 0.099 0.000 0.997 57 E CA 1.475 57.907 56.400 0.053 0.000 0.801 57 E CB -0.302 29.419 29.700 0.035 0.000 0.746 57 E HN 0.389 nan 8.360 nan 0.000 0.450 58 L N 0.615 121.910 121.223 0.120 0.000 2.046 58 L HA -0.186 4.153 4.340 -0.000 0.000 0.208 58 L C 2.648 179.752 176.870 0.391 0.000 1.077 58 L CA 0.947 55.902 54.840 0.193 0.000 0.747 58 L CB -0.560 41.557 42.059 0.097 0.000 0.896 58 L HN 0.157 nan 8.230 nan 0.000 0.432 59 A N -0.351 122.694 122.820 0.376 0.000 1.883 59 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 59 A C 2.235 179.988 177.584 0.281 0.000 1.186 59 A CA 1.729 53.966 52.037 0.333 0.000 0.624 59 A CB -0.507 18.578 19.000 0.142 0.000 0.822 59 A HN 0.470 nan 8.150 nan 0.000 0.444 60 Q N -1.236 118.673 119.800 0.182 0.000 2.020 60 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 60 Q C 2.703 178.824 176.000 0.202 0.000 0.982 60 Q CA 2.200 58.088 55.803 0.141 0.000 0.838 60 Q CB -0.373 28.417 28.738 0.085 0.000 0.899 60 Q HN 0.703 nan 8.270 nan 0.000 0.423 61 R N 0.812 121.433 120.500 0.202 0.000 2.117 61 R HA -0.206 4.133 4.340 -0.000 0.000 0.243 61 R C 1.832 178.349 176.300 0.362 0.000 1.143 61 R CA 1.822 58.055 56.100 0.223 0.000 0.968 61 R CB -1.912 28.482 30.300 0.158 0.000 0.863 61 R HN 0.359 nan 8.270 nan 0.000 0.444 62 F N 1.387 121.460 119.950 0.206 0.000 2.025 62 F HA -0.184 4.343 4.527 -0.000 0.000 0.297 62 F C 2.271 178.167 175.800 0.160 0.000 1.132 62 F CA 1.817 59.947 58.000 0.218 0.000 1.191 62 F CB -0.851 38.312 39.000 0.271 0.000 0.963 62 F HN -0.015 nan 8.300 nan 0.000 0.481 63 V N 0.049 119.894 119.914 -0.114 0.000 2.332 63 V HA -0.345 3.775 4.120 -0.000 0.000 0.248 63 V C 2.243 178.325 176.094 -0.020 0.000 1.055 63 V CA 2.225 64.362 62.300 -0.272 0.000 1.038 63 V CB -1.368 30.342 31.823 -0.188 0.000 0.651 63 V HN 0.586 nan 8.190 nan 0.000 0.450 64 Y N 1.131 121.436 120.300 0.009 0.000 2.081 64 Y HA -0.302 4.248 4.550 -0.000 0.000 0.280 64 Y C 2.631 178.564 175.900 0.055 0.000 1.163 64 Y CA 2.376 60.501 58.100 0.042 0.000 1.135 64 Y CB -0.246 38.248 38.460 0.057 0.000 0.970 64 Y HN 0.322 nan 8.280 nan 0.000 0.498 65 E N -0.758 119.573 120.200 0.219 0.000 2.058 65 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 65 E C 2.204 178.827 176.600 0.039 0.000 0.997 65 E CA 1.792 58.277 56.400 0.142 0.000 0.801 65 E CB -0.260 29.586 29.700 0.244 0.000 0.746 65 E HN 0.385 nan 8.360 nan 0.000 0.450 66 V N 0.964 120.906 119.914 0.047 0.000 2.343 66 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 66 V C 2.298 178.396 176.094 0.007 0.000 1.051 66 V CA 1.814 64.131 62.300 0.028 0.000 1.036 66 V CB -0.542 31.259 31.823 -0.036 0.000 0.654 66 V HN 0.184 nan 8.190 nan 0.000 0.451 67 S N -0.287 115.401 115.700 -0.020 0.000 2.374 67 S HA -0.227 4.243 4.470 -0.000 0.000 0.227 67 S C 2.014 176.520 174.600 -0.157 0.000 1.037 67 S CA 1.492 59.653 58.200 -0.065 0.000 1.024 67 S CB -0.303 62.840 63.200 -0.096 0.000 0.861 67 S HN 0.565 nan 8.310 nan 0.000 0.456 68 K N 1.361 121.631 120.400 -0.217 0.000 2.057 68 K HA -0.079 4.240 4.320 -0.000 0.000 0.207 68 K C 2.667 179.214 176.600 -0.089 0.000 1.049 68 K CA 1.538 57.712 56.287 -0.188 0.000 0.931 68 K CB -0.622 31.749 32.500 -0.215 0.000 0.714 68 K HN 0.457 nan 8.250 nan 0.000 0.440 69 K N 1.975 122.347 120.400 -0.048 0.000 2.152 69 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 69 K C 1.846 178.433 176.600 -0.021 0.000 1.048 69 K CA 1.448 57.728 56.287 -0.011 0.000 0.933 69 K CB -0.386 32.128 32.500 0.023 0.000 0.721 69 K HN -0.001 nan 8.250 nan 0.000 0.447 70 K N 0.406 120.782 120.400 -0.041 0.000 2.487 70 K HA 0.000 4.320 4.320 -0.000 0.000 0.192 70 K C 0.166 176.718 176.600 -0.080 0.000 1.027 70 K CA 0.091 56.344 56.287 -0.056 0.000 1.054 70 K CB -0.052 32.399 32.500 -0.082 0.000 0.824 70 K HN 0.566 nan 8.250 nan 0.000 0.510 71 N N 0.677 119.332 118.700 -0.076 0.000 2.816 71 N HA -0.159 4.581 4.740 -0.000 0.000 0.247 71 N C -0.824 174.631 175.510 -0.091 0.000 1.100 71 N CA 0.489 53.496 53.050 -0.071 0.000 0.687 71 N CB -1.009 37.447 38.487 -0.051 0.000 1.003 71 N HN 0.235 nan 8.380 nan 0.000 0.554 72 M N 0.371 119.897 119.600 -0.123 0.000 2.444 72 M HA 0.274 4.754 4.480 -0.000 0.000 0.319 72 M C 1.257 177.493 176.300 -0.107 0.000 1.183 72 M CA -0.562 54.661 55.300 -0.128 0.000 1.032 72 M CB 1.402 33.896 32.600 -0.176 0.000 1.569 72 M HN 0.256 nan 8.290 nan 0.000 0.468 73 S N -0.298 115.356 115.700 -0.077 0.000 2.596 73 S HA 0.055 4.525 4.470 -0.000 0.000 0.260 73 S C 0.463 175.033 174.600 -0.050 0.000 1.336 73 S CA -0.505 57.667 58.200 -0.047 0.000 0.993 73 S CB 0.527 63.713 63.200 -0.024 0.000 0.923 73 S HN 0.709 nan 8.310 nan 0.000 0.567 74 D N 1.687 122.088 120.400 0.002 0.000 2.178 74 D HA -0.040 4.600 4.640 -0.000 0.000 0.201 74 D C 2.002 178.370 176.300 0.113 0.000 0.980 74 D CA 1.543 55.588 54.000 0.075 0.000 0.842 74 D CB -0.789 40.102 40.800 0.152 0.000 0.948 74 D HN 0.797 nan 8.370 nan 0.000 0.472 75 G N 0.609 109.447 108.800 0.062 0.000 2.403 75 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.216 75 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.216 75 G C 1.596 176.520 174.900 0.040 0.000 1.154 75 G CA 0.161 45.296 45.100 0.059 0.000 0.784 75 G HN 0.160 nan 8.290 nan 0.000 0.538 76 M N 0.519 120.120 119.600 0.002 0.000 2.236 76 M HA 0.186 4.666 4.480 -0.000 0.000 0.266 76 M C 2.809 179.096 176.300 -0.022 0.000 1.070 76 M CA 1.149 56.438 55.300 -0.018 0.000 1.137 76 M CB 0.082 32.650 32.600 -0.054 0.000 1.378 76 M HN 0.287 nan 8.290 nan 0.000 0.426 77 A N -0.118 122.662 122.820 -0.066 0.000 2.019 77 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 77 A C 2.106 179.724 177.584 0.056 0.000 1.164 77 A CA 1.534 53.484 52.037 -0.145 0.000 0.644 77 A CB -0.601 18.106 19.000 -0.489 0.000 0.805 77 A HN 0.515 nan 8.150 nan 0.000 0.449 78 R N -0.807 119.806 120.500 0.189 0.000 2.140 78 R HA -0.051 4.289 4.340 -0.000 0.000 0.213 78 R C 0.846 177.228 176.300 0.137 0.000 1.059 78 R CA 1.022 57.286 56.100 0.273 0.000 1.000 78 R CB -0.036 30.403 30.300 0.232 0.000 0.910 78 R HN 0.358 nan 8.270 nan 0.000 0.455 79 D N 0.450 120.902 120.400 0.087 0.000 2.269 79 D HA -0.039 4.600 4.640 -0.000 0.000 0.208 79 D C 1.509 177.843 176.300 0.057 0.000 0.963 79 D CA 0.906 54.940 54.000 0.058 0.000 0.864 79 D CB 0.049 40.871 40.800 0.038 0.000 0.936 79 D HN 0.272 nan 8.370 nan 0.000 0.505 80 A N 0.497 123.359 122.820 0.071 0.000 2.024 80 A HA 0.163 4.482 4.320 -0.000 0.000 0.220 80 A C 1.717 179.325 177.584 0.041 0.000 1.164 80 A CA 1.838 53.927 52.037 0.087 0.000 0.643 80 A CB -0.656 18.436 19.000 0.154 0.000 0.806 80 A HN 0.345 nan 8.150 nan 0.000 0.451 81 G N -1.530 107.302 108.800 0.053 0.000 2.531 81 G HA2 0.309 4.269 3.960 -0.000 0.000 0.274 81 G HA3 0.309 4.269 3.960 -0.000 0.000 0.274 81 G C 1.007 175.916 174.900 0.016 0.000 1.159 81 G CA 0.474 45.596 45.100 0.038 0.000 0.969 81 G HN 2.594 nan 8.290 nan 0.000 0.554 82 G N -1.068 107.733 108.800 0.002 0.000 3.088 82 G HA2 0.553 4.513 3.960 -0.000 0.000 0.620 82 G HA3 0.553 4.513 3.960 -0.000 0.000 0.620 82 G C -0.901 174.009 174.900 0.017 0.000 1.375 82 G CA 0.674 45.769 45.100 -0.008 0.000 1.016 82 G HN 1.374 nan 8.290 nan 0.000 0.590 83 K N 1.366 121.787 120.400 0.035 0.000 2.469 83 K HA 0.803 5.122 4.320 -0.000 0.000 0.254 83 K C -1.041 175.585 176.600 0.044 0.000 0.939 83 K CA -1.118 55.175 56.287 0.010 0.000 0.812 83 K CB 1.951 34.451 32.500 -0.001 0.000 1.301 83 K HN 0.357 nan 8.250 nan 0.000 0.433 84 I N 3.034 123.550 120.570 -0.090 0.000 2.498 84 I HA 0.487 4.657 4.170 -0.000 0.000 0.301 84 I C -1.098 174.886 176.117 -0.222 0.000 0.984 84 I CA -0.247 61.039 61.300 -0.022 0.000 1.204 84 I CB 1.103 39.093 38.000 -0.017 0.000 1.362 84 I HN 0.546 nan 8.210 nan 0.000 0.471 85 F N 1.808 121.785 119.950 0.044 0.000 2.650 85 F HA 0.716 5.243 4.527 -0.000 0.000 0.320 85 F C -0.095 175.785 175.800 0.133 0.000 1.091 85 F CA -0.633 57.413 58.000 0.076 0.000 0.962 85 F CB 2.171 41.207 39.000 0.060 0.000 1.363 85 F HN 0.390 nan 8.300 nan 0.000 0.482 86 T N -1.302 113.472 114.554 0.367 0.000 2.909 86 T HA 0.766 5.116 4.350 -0.000 0.000 0.299 86 T C -1.265 173.653 174.700 0.364 0.000 1.073 86 T CA -0.707 61.574 62.100 0.303 0.000 0.999 86 T CB 1.887 70.909 68.868 0.257 0.000 1.098 86 T HN 0.675 nan 8.240 nan 0.000 0.477 87 Y N -0.334 120.046 120.300 0.133 0.000 2.876 87 Y HA 0.851 5.401 4.550 -0.000 0.000 0.317 87 Y C 0.683 176.651 175.900 0.115 0.000 1.369 87 Y CA -0.672 57.490 58.100 0.105 0.000 1.101 87 Y CB 0.326 38.828 38.460 0.070 0.000 1.346 87 Y HN 1.319 nan 8.280 nan 0.000 0.505 88 G N 0.486 109.385 108.800 0.164 0.000 2.693 88 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.226 88 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.226 88 G C 0.751 175.707 174.900 0.094 0.000 1.354 88 G CA 0.524 45.665 45.100 0.068 0.000 0.873 88 G HN 1.670 nan 8.290 nan 0.000 0.562 89 S N -1.206 114.551 115.700 0.096 0.000 2.365 89 S HA -0.288 4.182 4.470 -0.000 0.000 0.225 89 S C 2.033 176.715 174.600 0.135 0.000 1.039 89 S CA 2.574 60.850 58.200 0.126 0.000 1.033 89 S CB -0.656 62.627 63.200 0.137 0.000 0.887 89 S HN 1.539 nan 8.310 nan 0.000 0.447 90 Y N 3.165 123.431 120.300 -0.056 0.000 2.081 90 Y HA -0.203 4.347 4.550 -0.000 0.000 0.280 90 Y C 2.807 178.659 175.900 -0.079 0.000 1.163 90 Y CA 2.228 60.186 58.100 -0.237 0.000 1.135 90 Y CB -0.764 37.498 38.460 -0.330 0.000 0.970 90 Y HN 0.243 nan 8.280 nan 0.000 0.498 91 R N 0.525 121.003 120.500 -0.037 0.000 2.103 91 R HA -0.177 4.162 4.340 -0.000 0.000 0.242 91 R C 2.087 178.364 176.300 -0.039 0.000 1.142 91 R CA 2.191 58.262 56.100 -0.048 0.000 0.960 91 R CB -0.958 29.405 30.300 0.105 0.000 0.858 91 R HN 0.555 nan 8.270 nan 0.000 0.439 92 L N -0.949 120.302 121.223 0.047 0.000 2.376 92 L HA 0.149 4.489 4.340 -0.000 0.000 0.219 92 L C 1.175 178.103 176.870 0.097 0.000 1.133 92 L CA 0.694 55.609 54.840 0.125 0.000 0.816 92 L CB -0.299 41.881 42.059 0.202 0.000 0.933 92 L HN 0.655 nan 8.230 nan 0.000 0.449 93 G N 0.505 109.325 108.800 0.034 0.000 2.182 93 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.248 93 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.248 93 G C 0.477 175.439 174.900 0.103 0.000 1.042 93 G CA 0.287 45.436 45.100 0.081 0.000 0.775 93 G HN 0.367 nan 8.290 nan 0.000 0.501 94 V N -2.146 117.833 119.914 0.109 0.000 3.078 94 V HA 0.445 4.565 4.120 -0.000 0.000 0.344 94 V C 0.961 177.035 176.094 -0.032 0.000 1.409 94 V CA 0.003 62.277 62.300 -0.042 0.000 1.146 94 V CB -0.716 31.046 31.823 -0.101 0.000 1.126 94 V HN 0.792 nan 8.190 nan 0.000 0.513 95 H N 0.325 119.373 119.070 -0.036 0.000 2.581 95 H HA 0.795 5.350 4.556 -0.000 0.000 0.369 95 H C 0.171 175.474 175.328 -0.043 0.000 1.351 95 H CA -0.014 56.032 56.048 -0.004 0.000 1.434 95 H CB 1.495 31.320 29.762 0.104 0.000 1.558 95 H HN 0.374 nan 8.280 nan 0.000 0.608 96 G N -0.971 107.788 108.800 -0.068 0.000 2.816 96 G HA2 0.343 4.303 3.960 -0.000 0.000 0.288 96 G HA3 0.343 4.303 3.960 -0.000 0.000 0.288 96 G C -2.104 172.786 174.900 -0.017 0.000 1.334 96 G CA -1.499 43.518 45.100 -0.138 0.000 0.978 96 G HN 0.452 nan 8.290 nan 0.000 0.493 97 P HA -0.020 nan 4.420 nan 0.000 0.223 97 P C 1.570 178.887 177.300 0.028 0.000 1.151 97 P CA 1.440 64.557 63.100 0.028 0.000 0.787 97 P CB 0.238 31.945 31.700 0.013 0.000 0.788 98 G N 0.546 109.349 108.800 0.005 0.000 2.426 98 G HA2 -0.082 3.877 3.960 -0.000 0.000 0.214 98 G HA3 -0.082 3.877 3.960 -0.000 0.000 0.214 98 G C 0.708 175.615 174.900 0.011 0.000 1.156 98 G CA 0.387 45.487 45.100 0.000 0.000 0.802 98 G HN 0.446 nan 8.290 nan 0.000 0.534 99 S N 1.698 117.413 115.700 0.024 0.000 2.563 99 S HA 0.234 4.704 4.470 -0.000 0.000 0.284 99 S C 0.136 174.763 174.600 0.044 0.000 1.331 99 S CA 0.020 58.244 58.200 0.041 0.000 1.047 99 S CB 1.053 64.302 63.200 0.081 0.000 0.859 99 S HN 0.478 nan 8.310 nan 0.000 0.514 100 D N 1.218 121.624 120.400 0.011 0.000 2.478 100 D HA 0.397 5.037 4.640 -0.000 0.000 0.274 100 D C -0.239 176.015 176.300 -0.078 0.000 1.234 100 D CA -0.913 53.070 54.000 -0.028 0.000 1.069 100 D CB 0.143 40.926 40.800 -0.028 0.000 1.113 100 D HN 0.587 nan 8.370 nan 0.000 0.571 101 I N 0.230 120.716 120.570 -0.139 0.000 2.420 101 I HA 0.159 4.329 4.170 -0.000 0.000 0.282 101 I C -0.681 175.316 176.117 -0.199 0.000 1.019 101 I CA -0.837 60.326 61.300 -0.228 0.000 1.130 101 I CB 1.277 39.057 38.000 -0.365 0.000 1.262 101 I HN 0.095 nan 8.210 nan 0.000 0.454 102 D N 5.849 126.079 120.400 -0.285 0.000 2.317 102 D HA 0.233 4.873 4.640 -0.000 0.000 0.252 102 D C -0.213 175.830 176.300 -0.429 0.000 1.174 102 D CA 0.229 53.945 54.000 -0.473 0.000 0.866 102 D CB 1.660 41.883 40.800 -0.961 0.000 1.127 102 D HN 0.365 nan 8.370 nan 0.000 0.467 103 T N 2.219 116.722 114.554 -0.085 0.000 2.824 103 T HA 0.321 4.670 4.350 -0.000 0.000 0.282 103 T C -0.316 174.557 174.700 0.289 0.000 0.993 103 T CA -0.700 61.472 62.100 0.120 0.000 0.967 103 T CB 1.571 70.471 68.868 0.055 0.000 0.960 103 T HN 0.121 nan 8.240 nan 0.000 0.441 104 L N 4.715 126.138 121.223 0.333 0.000 2.272 104 L HA 0.681 5.020 4.340 -0.000 0.000 0.289 104 L C -0.926 176.017 176.870 0.122 0.000 1.032 104 L CA -0.513 54.441 54.840 0.191 0.000 0.810 104 L CB 0.963 43.100 42.059 0.130 0.000 1.205 104 L HN 0.456 nan 8.230 nan 0.000 0.422 105 V N 6.155 126.046 119.914 -0.039 0.000 2.394 105 V HA 0.488 4.607 4.120 -0.000 0.000 0.282 105 V C -0.278 175.738 176.094 -0.131 0.000 1.031 105 V CA -0.638 61.602 62.300 -0.099 0.000 0.881 105 V CB 1.640 33.280 31.823 -0.306 0.000 0.982 105 V HN 0.540 nan 8.190 nan 0.000 0.451 106 V N 6.203 126.099 119.914 -0.029 0.000 2.384 106 V HA 0.631 4.751 4.120 -0.000 0.000 0.287 106 V C -0.111 175.922 176.094 -0.102 0.000 1.020 106 V CA -0.525 61.732 62.300 -0.072 0.000 0.850 106 V CB 1.703 33.526 31.823 -0.000 0.000 0.987 106 V HN 0.751 nan 8.190 nan 0.000 0.436 107 V N 3.640 123.448 119.914 -0.178 0.000 2.914 107 V HA 0.802 4.922 4.120 -0.000 0.000 0.314 107 V C -2.645 173.298 176.094 -0.251 0.000 1.084 107 V CA -2.597 59.557 62.300 -0.242 0.000 0.963 107 V CB 2.343 33.952 31.823 -0.358 0.000 1.025 107 V HN 0.643 nan 8.190 nan 0.000 0.432 108 P HA 0.144 nan 4.420 nan 0.000 0.272 108 P C 0.482 177.552 177.300 -0.383 0.000 1.230 108 P CA -0.187 62.716 63.100 -0.328 0.000 0.788 108 P CB 0.826 32.302 31.700 -0.373 0.000 0.949 109 K N 1.898 122.181 120.400 -0.196 0.000 2.117 109 K HA -0.231 4.089 4.320 -0.000 0.000 0.215 109 K C 1.843 178.386 176.600 -0.094 0.000 1.053 109 K CA 2.553 58.782 56.287 -0.097 0.000 0.935 109 K CB -1.406 31.099 32.500 0.009 0.000 0.719 109 K HN 0.732 nan 8.250 nan 0.000 0.460 110 H N -1.845 117.185 119.070 -0.067 0.000 2.563 110 H HA 0.168 4.724 4.556 -0.000 0.000 0.272 110 H C 0.138 175.422 175.328 -0.075 0.000 1.005 110 H CA -0.214 55.797 56.048 -0.062 0.000 1.171 110 H CB -0.109 29.615 29.762 -0.063 0.000 1.351 110 H HN -0.176 nan 8.280 nan 0.000 0.602 111 V N 2.522 122.240 119.914 -0.326 0.000 2.350 111 V HA 0.234 4.354 4.120 -0.000 0.000 0.276 111 V C 0.719 176.745 176.094 -0.113 0.000 1.028 111 V CA -0.389 61.756 62.300 -0.258 0.000 0.860 111 V CB 0.896 32.444 31.823 -0.459 0.000 0.990 111 V HN 0.625 nan 8.190 nan 0.000 0.453 112 T N 1.951 116.507 114.554 0.003 0.000 2.884 112 T HA 0.418 4.768 4.350 -0.000 0.000 0.277 112 T C 1.023 175.813 174.700 0.150 0.000 0.976 112 T CA -0.473 61.662 62.100 0.060 0.000 0.956 112 T CB 1.539 70.457 68.868 0.082 0.000 1.113 112 T HN 0.426 nan 8.240 nan 0.000 0.554 113 R N 0.373 120.975 120.500 0.171 0.000 2.081 113 R HA -0.051 4.289 4.340 -0.000 0.000 0.235 113 R C 2.154 178.717 176.300 0.438 0.000 1.131 113 R CA 1.784 58.063 56.100 0.299 0.000 0.960 113 R CB -0.761 29.701 30.300 0.271 0.000 0.856 113 R HN 0.830 nan 8.270 nan 0.000 0.436 114 E N 0.253 120.639 120.200 0.310 0.000 2.153 114 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 114 E C 1.412 178.190 176.600 0.297 0.000 0.988 114 E CA 1.416 57.990 56.400 0.289 0.000 0.811 114 E CB -0.118 29.689 29.700 0.179 0.000 0.746 114 E HN 0.375 nan 8.360 nan 0.000 0.466 115 D N -0.321 120.265 120.400 0.309 0.000 2.183 115 D HA -0.109 4.530 4.640 -0.000 0.000 0.203 115 D C 1.494 178.091 176.300 0.495 0.000 0.969 115 D CA 0.542 54.769 54.000 0.379 0.000 0.842 115 D CB -0.205 40.803 40.800 0.348 0.000 0.957 115 D HN 0.131 nan 8.370 nan 0.000 0.484 116 F N 0.501 120.620 119.950 0.281 0.000 2.146 116 F HA -0.095 4.432 4.527 -0.000 0.000 0.298 116 F C 1.522 177.176 175.800 -0.244 0.000 1.096 116 F CA 1.053 59.030 58.000 -0.038 0.000 1.275 116 F CB -0.451 38.442 39.000 -0.178 0.000 1.008 116 F HN -0.167 nan 8.300 nan 0.000 0.480 117 F N -0.436 119.498 119.950 -0.025 0.000 2.731 117 F HA 0.097 4.623 4.527 -0.000 0.000 0.304 117 F C 1.670 177.417 175.800 -0.089 0.000 1.133 117 F CA 0.594 58.492 58.000 -0.170 0.000 1.380 117 F CB -0.278 38.691 39.000 -0.052 0.000 1.079 117 F HN -0.095 nan 8.300 nan 0.000 0.550 118 T N -2.092 112.508 114.554 0.077 0.000 3.272 118 T HA 0.059 4.409 4.350 -0.000 0.000 0.247 118 T C 1.907 176.626 174.700 0.032 0.000 0.990 118 T CA 0.383 62.528 62.100 0.075 0.000 1.213 118 T CB -0.324 68.623 68.868 0.130 0.000 1.124 118 T HN -0.137 nan 8.240 nan 0.000 0.401 119 V N 1.540 121.508 119.914 0.090 0.000 2.346 119 V HA 0.029 4.148 4.120 -0.000 0.000 0.244 119 V C 2.069 178.117 176.094 -0.076 0.000 1.037 119 V CA 1.411 63.775 62.300 0.107 0.000 1.029 119 V CB -0.660 31.378 31.823 0.358 0.000 0.663 119 V HN 0.366 nan 8.190 nan 0.000 0.454 120 F N 1.806 121.377 119.950 -0.631 0.000 2.171 120 F HA -0.172 4.354 4.527 -0.000 0.000 0.300 120 F C 2.148 177.663 175.800 -0.476 0.000 1.090 120 F CA 1.867 59.367 58.000 -0.834 0.000 1.293 120 F CB -0.476 37.740 39.000 -1.306 0.000 1.013 120 F HN 0.351 nan 8.300 nan 0.000 0.486 121 D N -0.992 119.165 120.400 -0.406 0.000 2.092 121 D HA -0.244 4.396 4.640 -0.000 0.000 0.193 121 D C 2.436 178.579 176.300 -0.261 0.000 0.994 121 D CA 1.852 55.645 54.000 -0.345 0.000 0.828 121 D CB -0.403 40.282 40.800 -0.192 0.000 0.963 121 D HN 0.235 nan 8.370 nan 0.000 0.450 122 S N -0.995 114.604 115.700 -0.168 0.000 2.359 122 S HA -0.127 4.343 4.470 -0.000 0.000 0.224 122 S C 2.155 176.679 174.600 -0.127 0.000 1.035 122 S CA 1.041 59.178 58.200 -0.105 0.000 1.018 122 S CB -0.554 62.621 63.200 -0.041 0.000 0.876 122 S HN 0.382 nan 8.310 nan 0.000 0.448 123 L N 0.791 121.914 121.223 -0.167 0.000 2.079 123 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 123 L C 2.449 179.197 176.870 -0.203 0.000 1.081 123 L CA 1.160 55.908 54.840 -0.153 0.000 0.752 123 L CB -0.453 41.520 42.059 -0.144 0.000 0.896 123 L HN 0.379 nan 8.230 nan 0.000 0.433 124 L N -1.175 119.843 121.223 -0.341 0.000 2.072 124 L HA -0.124 4.216 4.340 -0.000 0.000 0.205 124 L C 2.851 179.662 176.870 -0.098 0.000 1.079 124 L CA 0.692 55.369 54.840 -0.272 0.000 0.752 124 L CB -0.449 41.351 42.059 -0.431 0.000 0.906 124 L HN 0.212 nan 8.230 nan 0.000 0.436 125 R N 0.755 121.186 120.500 -0.114 0.000 2.096 125 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 125 R C 1.459 177.737 176.300 -0.036 0.000 1.127 125 R CA 1.048 57.111 56.100 -0.061 0.000 0.968 125 R CB -0.522 29.741 30.300 -0.063 0.000 0.861 125 R HN 0.526 nan 8.270 nan 0.000 0.440 126 E N 0.862 121.039 120.200 -0.039 0.000 2.438 126 E HA -0.000 4.349 4.350 -0.000 0.000 0.192 126 E C 0.024 176.620 176.600 -0.006 0.000 1.110 126 E CA 0.162 56.550 56.400 -0.020 0.000 0.893 126 E CB 0.056 29.745 29.700 -0.017 0.000 0.990 126 E HN 0.153 nan 8.360 nan 0.000 0.490 127 R N 0.310 120.814 120.500 0.006 0.000 2.711 127 R HA 0.274 4.614 4.340 -0.000 0.000 0.284 127 R C 0.744 177.014 176.300 -0.049 0.000 0.968 127 R CA -0.517 55.593 56.100 0.017 0.000 0.924 127 R CB 1.359 31.740 30.300 0.136 0.000 1.162 127 R HN -0.053 nan 8.270 nan 0.000 0.465 128 K N 1.443 121.792 120.400 -0.085 0.000 2.025 128 K HA -0.140 4.179 4.320 -0.000 0.000 0.207 128 K C 1.032 177.493 176.600 -0.231 0.000 1.049 128 K CA 1.475 57.688 56.287 -0.122 0.000 0.933 128 K CB 0.104 32.542 32.500 -0.102 0.000 0.714 128 K HN 0.478 nan 8.250 nan 0.000 0.438 129 E N 1.214 121.177 120.200 -0.394 0.000 2.455 129 E HA -0.095 4.254 4.350 -0.000 0.000 0.202 129 E C 0.246 176.302 176.600 -0.907 0.000 1.045 129 E CA 0.387 56.323 56.400 -0.774 0.000 0.872 129 E CB -0.028 28.903 29.700 -1.282 0.000 0.792 129 E HN 0.138 nan 8.360 nan 0.000 0.542 130 L N 1.643 122.585 121.223 -0.469 0.000 2.315 130 L HA 0.015 4.355 4.340 -0.000 0.000 0.283 130 L C -0.078 176.729 176.870 -0.106 0.000 1.089 130 L CA 0.325 55.081 54.840 -0.140 0.000 0.833 130 L CB 0.722 42.806 42.059 0.042 0.000 1.170 130 L HN 0.032 nan 8.230 nan 0.000 0.442 131 D N 3.112 123.470 120.400 -0.070 0.000 2.320 131 D HA 0.048 4.687 4.640 -0.000 0.000 0.228 131 D C 0.021 176.311 176.300 -0.016 0.000 0.978 131 D CA 0.851 54.821 54.000 -0.050 0.000 0.905 131 D CB 0.547 41.320 40.800 -0.046 0.000 1.051 131 D HN 0.676 nan 8.370 nan 0.000 0.471 132 E N -0.009 120.195 120.200 0.007 0.000 2.356 132 E HA 0.637 4.987 4.350 -0.000 0.000 0.275 132 E C -0.949 175.664 176.600 0.021 0.000 0.904 132 E CA -0.769 55.638 56.400 0.011 0.000 0.757 132 E CB 2.840 32.547 29.700 0.011 0.000 1.232 132 E HN 0.008 nan 8.360 nan 0.000 0.442 133 I N 0.900 121.477 120.570 0.011 0.000 2.569 133 I HA 0.677 4.847 4.170 -0.000 0.000 0.290 133 I C -1.755 174.369 176.117 0.012 0.000 1.088 133 I CA -0.780 60.523 61.300 0.006 0.000 1.047 133 I CB 1.724 39.713 38.000 -0.019 0.000 1.237 133 I HN 0.806 nan 8.210 nan 0.000 0.421 134 A N 8.114 130.949 122.820 0.025 0.000 2.702 134 A HA 0.706 5.026 4.320 -0.000 0.000 0.305 134 A C -2.854 174.770 177.584 0.065 0.000 1.213 134 A CA -1.368 50.692 52.037 0.038 0.000 0.745 134 A CB 0.485 19.509 19.000 0.041 0.000 1.161 134 A HN 0.437 nan 8.150 nan 0.000 0.445 135 P HA 0.290 nan 4.420 nan 0.000 0.269 135 P C -0.163 177.207 177.300 0.117 0.000 1.215 135 P CA 0.084 63.275 63.100 0.151 0.000 0.780 135 P CB 1.108 32.892 31.700 0.141 0.000 0.898 136 V N 3.856 123.874 119.914 0.173 0.000 2.703 136 V HA 0.111 4.231 4.120 -0.000 0.000 0.290 136 V C -1.791 174.275 176.094 -0.047 0.000 1.035 136 V CA -0.999 61.343 62.300 0.069 0.000 1.185 136 V CB 0.729 32.627 31.823 0.124 0.000 1.178 136 V HN 0.456 nan 8.190 nan 0.000 0.562 137 P HA -0.177 nan 4.420 nan 0.000 0.214 137 P C 0.244 177.402 177.300 -0.237 0.000 1.164 137 P CA 1.510 64.163 63.100 -0.745 0.000 0.942 137 P CB 0.127 31.422 31.700 -0.674 0.000 0.791 138 D N -0.198 120.124 120.400 -0.130 0.000 2.402 138 D HA 0.441 5.081 4.640 -0.000 0.000 0.235 138 D C 0.034 176.355 176.300 0.035 0.000 1.226 138 D CA 0.362 54.346 54.000 -0.027 0.000 0.918 138 D CB -0.191 40.597 40.800 -0.019 0.000 1.043 138 D HN 0.099 nan 8.370 nan 0.000 0.506 139 A N 1.504 124.373 122.820 0.081 0.000 2.593 139 A HA 0.362 4.682 4.320 -0.000 0.000 0.290 139 A C 0.546 178.248 177.584 0.196 0.000 1.126 139 A CA -0.926 51.191 52.037 0.134 0.000 0.695 139 A CB 0.288 19.376 19.000 0.146 0.000 1.290 139 A HN 0.407 nan 8.150 nan 0.000 0.414 140 F N 0.230 120.203 119.950 0.039 0.000 2.106 140 F HA -0.113 4.414 4.527 -0.000 0.000 0.299 140 F C 0.743 176.562 175.800 0.033 0.000 1.082 140 F CA 2.440 60.458 58.000 0.029 0.000 1.244 140 F CB 0.252 39.266 39.000 0.022 0.000 0.997 140 F HN 0.418 nan 8.300 nan 0.000 0.486 141 V N 1.064 121.018 119.914 0.067 0.000 2.567 141 V HA 0.365 4.484 4.120 -0.000 0.000 0.298 141 V C -2.453 173.711 176.094 0.118 0.000 1.047 141 V CA -2.118 60.163 62.300 -0.032 0.000 0.880 141 V CB 1.437 33.175 31.823 -0.142 0.000 1.009 141 V HN -0.112 nan 8.190 nan 0.000 0.429 142 P HA 0.171 nan 4.420 nan 0.000 0.267 142 P C -0.654 176.921 177.300 0.459 0.000 1.175 142 P CA 0.758 64.086 63.100 0.381 0.000 0.763 142 P CB 0.336 32.361 31.700 0.542 0.000 0.795 143 I N 1.653 122.570 120.570 0.578 0.000 2.882 143 I HA 0.407 4.577 4.170 -0.000 0.000 0.298 143 I C -1.590 174.778 176.117 0.418 0.000 1.462 143 I CA -0.885 60.678 61.300 0.440 0.000 1.000 143 I CB 1.648 39.814 38.000 0.276 0.000 1.340 143 I HN 0.109 nan 8.210 nan 0.000 0.462 144 I N 5.843 126.570 120.570 0.261 0.000 2.466 144 I HA 0.327 4.497 4.170 -0.000 0.000 0.279 144 I C -0.754 175.424 176.117 0.103 0.000 1.033 144 I CA -0.666 60.713 61.300 0.131 0.000 1.123 144 I CB 1.498 39.443 38.000 -0.093 0.000 1.237 144 I HN 0.372 nan 8.210 nan 0.000 0.460 145 K N 7.680 128.137 120.400 0.095 0.000 2.276 145 K HA 0.686 5.005 4.320 -0.000 0.000 0.283 145 K C -0.516 176.110 176.600 0.044 0.000 1.044 145 K CA -0.266 56.063 56.287 0.070 0.000 0.944 145 K CB 1.557 34.098 32.500 0.069 0.000 1.012 145 K HN 0.591 nan 8.250 nan 0.000 0.472 146 I N -1.777 118.815 120.570 0.038 0.000 3.006 146 I HA 0.428 4.598 4.170 -0.000 0.000 0.306 146 I C -1.521 174.632 176.117 0.060 0.000 1.250 146 I CA -1.137 60.188 61.300 0.041 0.000 0.996 146 I CB 2.279 40.297 38.000 0.031 0.000 1.261 146 I HN 0.366 nan 8.210 nan 0.000 0.442 147 K N 3.383 123.828 120.400 0.075 0.000 2.367 147 K HA 0.484 4.803 4.320 -0.000 0.000 0.263 147 K C -2.171 174.513 176.600 0.140 0.000 1.000 147 K CA -0.492 55.842 56.287 0.078 0.000 0.891 147 K CB 1.235 33.756 32.500 0.035 0.000 1.117 147 K HN 0.612 nan 8.250 nan 0.000 0.443 148 F N 2.922 122.847 119.950 -0.042 0.000 2.426 148 F HA 0.187 4.713 4.527 -0.000 0.000 0.348 148 F C 0.090 175.866 175.800 -0.040 0.000 1.124 148 F CA -0.190 57.783 58.000 -0.046 0.000 1.008 148 F CB 1.494 40.462 39.000 -0.053 0.000 1.139 148 F HN 0.709 nan 8.300 nan 0.000 0.452 149 S N 3.844 119.372 115.700 -0.287 0.000 3.559 149 S HA -0.158 4.312 4.470 -0.000 0.000 0.369 149 S C 1.152 175.715 174.600 -0.061 0.000 0.987 149 S CA 1.133 59.218 58.200 -0.192 0.000 1.187 149 S CB -1.633 61.461 63.200 -0.178 0.000 0.914 149 S HN 1.744 nan 8.310 nan 0.000 0.480 150 G N -0.477 108.298 108.800 -0.041 0.000 2.579 150 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.222 150 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.222 150 G C 0.083 174.990 174.900 0.011 0.000 1.201 150 G CA -0.013 45.079 45.100 -0.013 0.000 0.710 150 G HN 0.799 nan 8.290 nan 0.000 0.516 151 I N 2.837 123.424 120.570 0.027 0.000 2.588 151 I HA 0.417 4.587 4.170 -0.000 0.000 0.283 151 I C 0.753 176.891 176.117 0.035 0.000 1.119 151 I CA 0.098 61.414 61.300 0.025 0.000 1.419 151 I CB 1.449 39.456 38.000 0.013 0.000 1.394 151 I HN 0.156 nan 8.210 nan 0.000 0.562 152 S N 6.689 122.396 115.700 0.012 0.000 2.499 152 S HA 0.516 4.986 4.470 -0.000 0.000 0.275 152 S C -0.154 174.438 174.600 -0.012 0.000 1.257 152 S CA -0.415 57.792 58.200 0.011 0.000 1.050 152 S CB 0.457 63.661 63.200 0.006 0.000 0.937 152 S HN 0.274 nan 8.310 nan 0.000 0.490 153 I N 3.071 123.641 120.570 -0.001 0.000 2.447 153 I HA 0.317 4.487 4.170 -0.000 0.000 0.287 153 I C -0.502 175.617 176.117 0.003 0.000 1.023 153 I CA -0.663 60.621 61.300 -0.026 0.000 1.083 153 I CB 1.745 39.717 38.000 -0.046 0.000 1.245 153 I HN 0.453 nan 8.210 nan 0.000 0.434 154 D N 6.716 127.114 120.400 -0.002 0.000 2.280 154 D HA 0.484 5.124 4.640 -0.000 0.000 0.243 154 D C -0.555 175.802 176.300 0.095 0.000 1.129 154 D CA -0.161 53.868 54.000 0.049 0.000 0.848 154 D CB 1.954 42.774 40.800 0.032 0.000 1.107 154 D HN 0.186 nan 8.370 nan 0.000 0.471 155 L N 4.204 125.525 121.223 0.163 0.000 2.342 155 L HA 0.458 4.798 4.340 -0.000 0.000 0.276 155 L C 0.173 177.225 176.870 0.304 0.000 0.997 155 L CA -0.614 54.369 54.840 0.238 0.000 0.838 155 L CB 1.239 43.492 42.059 0.323 0.000 1.224 155 L HN 0.270 nan 8.230 nan 0.000 0.416 156 I N -0.953 119.727 120.570 0.184 0.000 2.750 156 I HA 0.752 4.922 4.170 -0.000 0.000 0.308 156 I C -0.658 175.280 176.117 -0.298 0.000 1.016 156 I CA -0.670 60.652 61.300 0.037 0.000 1.098 156 I CB 2.101 40.131 38.000 0.050 0.000 1.279 156 I HN 0.609 nan 8.210 nan 0.000 0.454 157 C N 4.466 123.416 119.300 -0.584 0.000 2.369 157 C HA 0.877 5.337 4.460 -0.000 0.000 0.322 157 C C 0.208 174.948 174.990 -0.417 0.000 1.258 157 C CA -0.002 58.551 59.018 -0.775 0.000 1.487 157 C CB 0.225 26.990 27.740 -1.626 0.000 2.165 157 C HN 0.969 nan 8.230 nan 0.000 0.483 158 A N 5.975 128.604 122.820 -0.318 0.000 2.303 158 A HA 0.780 5.100 4.320 -0.000 0.000 0.320 158 A C -0.405 177.054 177.584 -0.209 0.000 1.192 158 A CA -0.540 51.357 52.037 -0.234 0.000 0.821 158 A CB 0.596 19.463 19.000 -0.222 0.000 1.188 158 A HN 0.936 nan 8.150 nan 0.000 0.492 159 R N 3.869 124.265 120.500 -0.173 0.000 2.246 159 R HA 0.566 4.906 4.340 -0.000 0.000 0.332 159 R C -1.255 174.969 176.300 -0.127 0.000 0.974 159 R CA -0.406 55.602 56.100 -0.153 0.000 0.837 159 R CB 0.328 30.552 30.300 -0.126 0.000 1.145 159 R HN 0.750 nan 8.270 nan 0.000 0.467 160 L N 2.661 123.809 121.223 -0.125 0.000 2.421 160 L HA 0.228 4.568 4.340 -0.000 0.000 0.263 160 L C 0.483 177.307 176.870 -0.076 0.000 1.122 160 L CA -0.463 54.318 54.840 -0.098 0.000 0.804 160 L CB 1.149 43.152 42.059 -0.094 0.000 1.150 160 L HN 0.632 nan 8.230 nan 0.000 0.457 161 D N 1.541 121.907 120.400 -0.057 0.000 3.085 161 D HA 0.084 4.724 4.640 -0.000 0.000 0.243 161 D C -0.426 175.857 176.300 -0.028 0.000 1.232 161 D CA -0.094 53.882 54.000 -0.039 0.000 0.913 161 D CB 0.156 40.937 40.800 -0.032 0.000 1.108 161 D HN 0.471 nan 8.370 nan 0.000 0.468 162 Q N -0.693 119.090 119.800 -0.028 0.000 2.418 162 Q HA 0.376 4.715 4.340 -0.000 0.000 0.282 162 Q C -2.583 173.419 176.000 0.003 0.000 1.044 162 Q CA -1.615 54.180 55.803 -0.012 0.000 0.813 162 Q CB 2.025 30.753 28.738 -0.017 0.000 1.428 162 Q HN -0.166 nan 8.270 nan 0.000 0.402 163 P HA -0.101 nan 4.420 nan 0.000 0.229 163 P C -0.455 176.901 177.300 0.094 0.000 1.160 163 P CA 0.999 64.151 63.100 0.086 0.000 0.777 163 P CB 0.691 32.424 31.700 0.054 0.000 0.814 164 Q N -1.129 118.693 119.800 0.036 0.000 2.456 164 Q HA 0.565 4.905 4.340 -0.000 0.000 0.283 164 Q C -1.401 174.600 176.000 0.001 0.000 1.084 164 Q CA -0.952 54.867 55.803 0.028 0.000 0.801 164 Q CB 3.189 31.946 28.738 0.032 0.000 1.434 164 Q HN -0.316 nan 8.270 nan 0.000 0.419 165 V N 2.371 122.285 119.914 0.001 0.000 2.454 165 V HA 0.293 4.413 4.120 -0.000 0.000 0.267 165 V C -2.297 173.813 176.094 0.027 0.000 0.993 165 V CA -1.235 61.071 62.300 0.010 0.000 0.836 165 V CB 0.984 32.803 31.823 -0.007 0.000 1.055 165 V HN 0.620 nan 8.190 nan 0.000 0.452 166 P HA 0.268 nan 4.420 nan 0.000 0.274 166 P C 1.038 178.356 177.300 0.030 0.000 1.246 166 P CA -0.318 62.799 63.100 0.028 0.000 0.795 166 P CB 1.782 33.498 31.700 0.025 0.000 1.006 167 L N 0.867 122.097 121.223 0.012 0.000 2.265 167 L HA -0.163 4.177 4.340 -0.000 0.000 0.215 167 L C 2.407 179.272 176.870 -0.009 0.000 1.117 167 L CA 1.922 56.754 54.840 -0.013 0.000 0.782 167 L CB -0.779 41.268 42.059 -0.021 0.000 0.914 167 L HN 0.482 nan 8.230 nan 0.000 0.441 168 S N -0.524 115.185 115.700 0.014 0.000 2.527 168 S HA -0.012 4.458 4.470 -0.000 0.000 0.222 168 S C 0.766 175.402 174.600 0.059 0.000 0.985 168 S CA -0.394 57.821 58.200 0.024 0.000 0.921 168 S CB -0.394 62.818 63.200 0.020 0.000 0.772 168 S HN 0.193 nan 8.310 nan 0.000 0.529 169 L N 4.035 125.312 121.223 0.090 0.000 2.525 169 L HA 0.335 4.675 4.340 -0.000 0.000 0.278 169 L C 0.240 177.264 176.870 0.257 0.000 1.218 169 L CA 0.828 55.754 54.840 0.143 0.000 0.878 169 L CB 0.293 42.445 42.059 0.155 0.000 1.127 169 L HN 0.464 nan 8.230 nan 0.000 0.492 170 T N 2.374 117.032 114.554 0.172 0.000 2.930 170 T HA 0.519 4.868 4.350 -0.000 0.000 0.290 170 T C 0.562 175.275 174.700 0.021 0.000 1.052 170 T CA -0.852 61.362 62.100 0.189 0.000 1.017 170 T CB 0.990 69.927 68.868 0.117 0.000 1.137 170 T HN 0.542 nan 8.240 nan 0.000 0.511 171 L N 1.199 122.370 121.223 -0.086 0.000 2.700 171 L HA 0.223 4.563 4.340 -0.000 0.000 0.234 171 L C 2.255 179.067 176.870 -0.097 0.000 1.156 171 L CA -0.297 54.433 54.840 -0.184 0.000 0.946 171 L CB -0.210 41.622 42.059 -0.378 0.000 1.216 171 L HN 0.700 nan 8.230 nan 0.000 0.493 172 S N -0.234 115.440 115.700 -0.043 0.000 2.343 172 S HA -0.165 4.304 4.470 -0.000 0.000 0.219 172 S C 0.790 175.375 174.600 -0.025 0.000 1.033 172 S CA 1.004 59.188 58.200 -0.025 0.000 1.014 172 S CB -0.215 62.980 63.200 -0.009 0.000 0.915 172 S HN 0.486 nan 8.310 nan 0.000 0.435 173 D N 2.015 122.399 120.400 -0.027 0.000 2.520 173 D HA -0.043 4.596 4.640 -0.000 0.000 0.243 173 D C 1.057 177.340 176.300 -0.029 0.000 1.160 173 D CA 0.176 54.158 54.000 -0.029 0.000 0.877 173 D CB 0.546 41.329 40.800 -0.028 0.000 1.150 173 D HN 0.390 nan 8.370 nan 0.000 0.494 174 K N 2.629 123.012 120.400 -0.028 0.000 2.574 174 K HA -0.091 4.228 4.320 -0.000 0.000 0.193 174 K C 0.530 177.123 176.600 -0.011 0.000 1.035 174 K CA 0.433 56.718 56.287 -0.002 0.000 0.982 174 K CB 0.061 32.537 32.500 -0.040 0.000 0.795 174 K HN 0.228 nan 8.250 nan 0.000 0.491 175 N N 1.122 119.804 118.700 -0.031 0.000 2.463 175 N HA 0.017 4.757 4.740 -0.000 0.000 0.181 175 N C 1.424 176.919 175.510 -0.025 0.000 1.078 175 N CA 0.463 53.496 53.050 -0.027 0.000 0.902 175 N CB 0.034 38.501 38.487 -0.033 0.000 0.970 175 N HN 0.266 nan 8.380 nan 0.000 0.451 176 L N 0.468 121.671 121.223 -0.032 0.000 2.456 176 L HA 0.014 4.353 4.340 -0.000 0.000 0.224 176 L C 1.796 178.639 176.870 -0.046 0.000 1.148 176 L CA 0.434 55.245 54.840 -0.047 0.000 0.825 176 L CB -0.136 41.881 42.059 -0.069 0.000 0.937 176 L HN 0.119 nan 8.230 nan 0.000 0.450 177 L N -0.179 121.030 121.223 -0.023 0.000 2.395 177 L HA -0.033 4.306 4.340 -0.000 0.000 0.218 177 L C 1.492 178.355 176.870 -0.012 0.000 1.130 177 L CA -0.036 54.796 54.840 -0.014 0.000 0.826 177 L CB -0.518 41.562 42.059 0.035 0.000 0.941 177 L HN 0.352 nan 8.230 nan 0.000 0.451 178 R N 0.864 121.358 120.500 -0.010 0.000 2.638 178 R HA -0.144 4.196 4.340 -0.000 0.000 0.268 178 R C 0.219 176.507 176.300 -0.019 0.000 1.006 178 R CA 0.518 56.612 56.100 -0.009 0.000 1.088 178 R CB -0.080 30.213 30.300 -0.012 0.000 0.950 178 R HN 0.118 nan 8.270 nan 0.000 0.419 179 N N 0.312 119.003 118.700 -0.015 0.000 2.732 179 N HA -0.195 4.544 4.740 -0.000 0.000 0.250 179 N C -0.888 174.604 175.510 -0.030 0.000 1.097 179 N CA 1.432 54.470 53.050 -0.020 0.000 0.812 179 N CB -0.736 37.739 38.487 -0.019 0.000 1.148 179 N HN 0.532 nan 8.380 nan 0.000 0.572 180 L N 1.500 122.701 121.223 -0.037 0.000 2.319 180 L HA 0.166 4.506 4.340 -0.000 0.000 0.280 180 L C 0.795 177.635 176.870 -0.050 0.000 1.099 180 L CA -0.455 54.354 54.840 -0.052 0.000 0.828 180 L CB 0.416 42.435 42.059 -0.067 0.000 1.150 180 L HN 0.205 nan 8.230 nan 0.000 0.442 181 D N 2.901 123.270 120.400 -0.051 0.000 2.339 181 D HA -0.003 4.636 4.640 -0.000 0.000 0.245 181 D C 0.634 176.895 176.300 -0.066 0.000 1.115 181 D CA -0.570 53.401 54.000 -0.048 0.000 0.917 181 D CB 1.468 42.246 40.800 -0.037 0.000 1.192 181 D HN 0.415 nan 8.370 nan 0.000 0.428 182 E N 1.537 121.699 120.200 -0.063 0.000 2.170 182 E HA -0.294 4.056 4.350 -0.000 0.000 0.229 182 E C 1.741 178.265 176.600 -0.127 0.000 1.074 182 E CA 1.777 58.126 56.400 -0.086 0.000 0.930 182 E CB -0.266 29.395 29.700 -0.066 0.000 0.806 182 E HN 0.576 nan 8.360 nan 0.000 0.478 183 K N 0.174 120.505 120.400 -0.115 0.000 2.113 183 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 183 K C 1.768 178.275 176.600 -0.155 0.000 1.047 183 K CA 1.408 57.609 56.287 -0.143 0.000 0.928 183 K CB -0.110 32.341 32.500 -0.082 0.000 0.716 183 K HN 0.159 nan 8.250 nan 0.000 0.446 184 D N 0.733 121.056 120.400 -0.128 0.000 2.224 184 D HA -0.068 4.572 4.640 -0.000 0.000 0.205 184 D C 1.941 178.146 176.300 -0.159 0.000 0.965 184 D CA 0.729 54.644 54.000 -0.142 0.000 0.852 184 D CB 0.039 40.768 40.800 -0.118 0.000 0.947 184 D HN 0.165 nan 8.370 nan 0.000 0.494 185 L N 0.463 121.598 121.223 -0.148 0.000 2.093 185 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 185 L C 2.605 179.363 176.870 -0.187 0.000 1.085 185 L CA 0.921 55.672 54.840 -0.149 0.000 0.755 185 L CB -0.180 41.804 42.059 -0.125 0.000 0.904 185 L HN -0.076 nan 8.230 nan 0.000 0.435 186 R N 0.034 120.397 120.500 -0.228 0.000 2.066 186 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 186 R C 2.476 178.607 176.300 -0.282 0.000 1.131 186 R CA 1.246 57.175 56.100 -0.286 0.000 0.955 186 R CB -0.527 29.500 30.300 -0.456 0.000 0.851 186 R HN 0.310 nan 8.270 nan 0.000 0.432 187 A N 1.258 123.919 122.820 -0.265 0.000 1.917 187 A HA -0.193 4.126 4.320 -0.000 0.000 0.219 187 A C 2.060 179.455 177.584 -0.316 0.000 1.182 187 A CA 1.378 53.254 52.037 -0.270 0.000 0.633 187 A CB -0.456 18.409 19.000 -0.225 0.000 0.819 187 A HN 0.168 nan 8.150 nan 0.000 0.448 188 L N 0.206 121.268 121.223 -0.269 0.000 2.240 188 L HA -0.048 4.292 4.340 -0.000 0.000 0.211 188 L C 2.080 178.796 176.870 -0.256 0.000 1.106 188 L CA 1.585 56.264 54.840 -0.269 0.000 0.793 188 L CB -0.782 41.145 42.059 -0.220 0.000 0.927 188 L HN 0.572 nan 8.230 nan 0.000 0.446 189 N N -0.844 117.717 118.700 -0.230 0.000 2.149 189 N HA -0.189 4.551 4.740 -0.000 0.000 0.188 189 N C 1.819 177.216 175.510 -0.189 0.000 1.019 189 N CA 1.003 53.943 53.050 -0.183 0.000 0.857 189 N CB -0.031 38.363 38.487 -0.155 0.000 0.997 189 N HN 0.448 nan 8.380 nan 0.000 0.426 190 G N 0.214 108.835 108.800 -0.298 0.000 2.545 190 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 190 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 190 G C 1.454 176.264 174.900 -0.150 0.000 1.218 190 G CA 1.635 46.545 45.100 -0.316 0.000 0.787 190 G HN 0.317 nan 8.290 nan 0.000 0.571 191 T N 0.618 115.049 114.554 -0.205 0.000 2.708 191 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 191 T C 2.472 177.150 174.700 -0.037 0.000 1.037 191 T CA 1.314 63.398 62.100 -0.026 0.000 1.146 191 T CB -0.193 68.638 68.868 -0.063 0.000 0.865 191 T HN 0.252 nan 8.240 nan 0.000 0.435 192 R N 0.371 120.809 120.500 -0.103 0.000 2.103 192 R HA -0.073 4.267 4.340 -0.000 0.000 0.242 192 R C 2.478 178.759 176.300 -0.032 0.000 1.142 192 R CA 1.146 57.203 56.100 -0.073 0.000 0.960 192 R CB -0.708 29.538 30.300 -0.090 0.000 0.858 192 R HN 0.254 nan 8.270 nan 0.000 0.439 193 V N 0.570 120.465 119.914 -0.031 0.000 2.453 193 V HA -0.200 3.919 4.120 -0.000 0.000 0.247 193 V C 2.443 178.549 176.094 0.020 0.000 1.048 193 V CA 2.185 64.480 62.300 -0.008 0.000 1.049 193 V CB -0.581 31.234 31.823 -0.013 0.000 0.672 193 V HN 0.563 nan 8.190 nan 0.000 0.457 194 T N -2.448 112.137 114.554 0.052 0.000 2.857 194 T HA -0.178 4.172 4.350 -0.000 0.000 0.266 194 T C 1.566 176.298 174.700 0.052 0.000 1.048 194 T CA 1.365 63.514 62.100 0.081 0.000 1.139 194 T CB -0.376 68.577 68.868 0.143 0.000 0.874 194 T HN 0.344 nan 8.240 nan 0.000 0.455 195 D N 1.485 121.912 120.400 0.046 0.000 2.144 195 D HA -0.050 4.590 4.640 -0.000 0.000 0.199 195 D C 2.281 178.581 176.300 0.000 0.000 0.984 195 D CA 0.980 55.000 54.000 0.033 0.000 0.834 195 D CB -0.183 40.641 40.800 0.040 0.000 0.955 195 D HN 0.573 nan 8.370 nan 0.000 0.465 196 E N -0.029 120.166 120.200 -0.008 0.000 2.152 196 E HA -0.050 4.300 4.350 -0.000 0.000 0.192 196 E C 2.334 178.903 176.600 -0.052 0.000 0.983 196 E CA 0.173 56.559 56.400 -0.024 0.000 0.818 196 E CB 0.119 29.810 29.700 -0.015 0.000 0.758 196 E HN 0.324 nan 8.360 nan 0.000 0.467 197 I N 1.065 121.601 120.570 -0.057 0.000 2.226 197 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 197 I C 2.348 178.331 176.117 -0.222 0.000 1.100 197 I CA 0.915 62.144 61.300 -0.118 0.000 1.374 197 I CB -0.110 37.847 38.000 -0.073 0.000 1.057 197 I HN 0.109 nan 8.210 nan 0.000 0.413 198 L N 0.196 121.321 121.223 -0.163 0.000 2.131 198 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 198 L C 2.328 179.112 176.870 -0.143 0.000 1.092 198 L CA 1.130 55.865 54.840 -0.176 0.000 0.759 198 L CB -0.432 41.588 42.059 -0.064 0.000 0.903 198 L HN 0.272 nan 8.230 nan 0.000 0.435 199 E N -0.234 119.904 120.200 -0.102 0.000 2.435 199 E HA -0.012 4.337 4.350 -0.000 0.000 0.195 199 E C 1.823 178.362 176.600 -0.101 0.000 1.029 199 E CA 0.598 56.948 56.400 -0.083 0.000 0.865 199 E CB 0.294 29.961 29.700 -0.056 0.000 0.833 199 E HN 0.507 nan 8.360 nan 0.000 0.510 200 L N 0.808 121.956 121.223 -0.124 0.000 2.667 200 L HA 0.106 4.446 4.340 -0.000 0.000 0.232 200 L C 0.509 177.307 176.870 -0.120 0.000 1.138 200 L CA -0.203 54.570 54.840 -0.112 0.000 0.921 200 L CB 0.639 42.646 42.059 -0.086 0.000 1.180 200 L HN -0.142 nan 8.230 nan 0.000 0.487 201 V N -5.455 114.364 119.914 -0.159 0.000 2.769 201 V HA 0.481 4.601 4.120 -0.000 0.000 0.312 201 V C -2.010 174.055 176.094 -0.048 0.000 1.058 201 V CA -1.726 60.503 62.300 -0.119 0.000 0.952 201 V CB 1.445 33.108 31.823 -0.267 0.000 1.019 201 V HN -0.142 nan 8.190 nan 0.000 0.445 202 P HA -0.051 nan 4.420 nan 0.000 0.211 202 P C -0.144 177.200 177.300 0.073 0.000 1.179 202 P CA 1.526 64.680 63.100 0.091 0.000 0.910 202 P CB 0.122 31.943 31.700 0.202 0.000 0.785 203 K N -1.302 119.157 120.400 0.100 0.000 2.527 203 K HA 0.274 4.594 4.320 -0.000 0.000 0.240 203 K C -2.256 174.417 176.600 0.123 0.000 0.989 203 K CA -2.172 54.174 56.287 0.098 0.000 0.985 203 K CB 1.000 33.567 32.500 0.111 0.000 1.221 203 K HN -0.094 nan 8.250 nan 0.000 0.458 204 P HA -0.225 nan 4.420 nan 0.000 0.217 204 P C 0.834 178.269 177.300 0.226 0.000 1.162 204 P CA 1.652 64.836 63.100 0.140 0.000 0.901 204 P CB 0.281 32.027 31.700 0.077 0.000 0.793 205 N N -1.253 117.534 118.700 0.145 0.000 2.166 205 N HA -0.105 4.635 4.740 -0.000 0.000 0.186 205 N C 1.499 177.079 175.510 0.117 0.000 1.019 205 N CA 0.696 53.820 53.050 0.123 0.000 0.856 205 N CB -0.360 38.177 38.487 0.084 0.000 0.993 205 N HN -0.090 nan 8.380 nan 0.000 0.426 206 V N 0.829 120.819 119.914 0.126 0.000 2.490 206 V HA -0.225 3.894 4.120 -0.000 0.000 0.250 206 V C 1.766 177.931 176.094 0.119 0.000 1.061 206 V CA 1.426 63.790 62.300 0.108 0.000 1.064 206 V CB -0.698 31.198 31.823 0.122 0.000 0.670 206 V HN 0.335 nan 8.190 nan 0.000 0.461 207 F N 1.533 121.501 119.950 0.030 0.000 2.113 207 F HA -0.105 4.422 4.527 -0.000 0.000 0.297 207 F C 2.564 178.365 175.800 0.001 0.000 1.103 207 F CA 1.555 59.569 58.000 0.022 0.000 1.248 207 F CB -0.337 38.685 39.000 0.037 0.000 0.999 207 F HN -0.069 nan 8.300 nan 0.000 0.475 208 R N 0.219 120.650 120.500 -0.115 0.000 2.105 208 R HA -0.163 4.177 4.340 -0.000 0.000 0.239 208 R C 2.106 178.260 176.300 -0.242 0.000 1.135 208 R CA 1.570 57.531 56.100 -0.232 0.000 0.967 208 R CB -0.510 29.791 30.300 0.003 0.000 0.861 208 R HN 0.329 nan 8.270 nan 0.000 0.442 209 I N 0.819 121.309 120.570 -0.132 0.000 2.133 209 I HA -0.170 3.999 4.170 -0.000 0.000 0.238 209 I C 2.624 178.609 176.117 -0.219 0.000 1.074 209 I CA 1.314 62.540 61.300 -0.124 0.000 1.342 209 I CB -1.613 36.365 38.000 -0.037 0.000 1.053 209 I HN 0.107 nan 8.210 nan 0.000 0.404 210 A N 0.779 123.469 122.820 -0.216 0.000 1.958 210 A HA -0.232 4.088 4.320 -0.000 0.000 0.221 210 A C 2.452 179.814 177.584 -0.370 0.000 1.178 210 A CA 1.688 53.564 52.037 -0.268 0.000 0.642 210 A CB -1.036 17.839 19.000 -0.208 0.000 0.816 210 A HN 0.468 nan 8.150 nan 0.000 0.453 211 L N -1.389 119.556 121.223 -0.463 0.000 2.141 211 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 211 L C 2.793 179.462 176.870 -0.334 0.000 1.094 211 L CA 1.270 55.835 54.840 -0.458 0.000 0.763 211 L CB -0.283 41.362 42.059 -0.690 0.000 0.908 211 L HN 0.420 nan 8.230 nan 0.000 0.437 212 R N -0.637 119.660 120.500 -0.338 0.000 2.075 212 R HA -0.112 4.227 4.340 -0.000 0.000 0.232 212 R C 2.342 178.437 176.300 -0.342 0.000 1.126 212 R CA 1.267 57.163 56.100 -0.339 0.000 0.963 212 R CB -0.354 29.699 30.300 -0.413 0.000 0.858 212 R HN 0.402 nan 8.270 nan 0.000 0.435 213 A N 1.509 124.143 122.820 -0.310 0.000 1.858 213 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 213 A C 2.072 179.528 177.584 -0.213 0.000 1.190 213 A CA 1.193 53.068 52.037 -0.269 0.000 0.617 213 A CB -0.470 18.458 19.000 -0.120 0.000 0.827 213 A HN 0.098 nan 8.150 nan 0.000 0.443 214 I N -0.039 120.377 120.570 -0.256 0.000 2.151 214 I HA -0.254 3.916 4.170 -0.000 0.000 0.243 214 I C 2.390 178.433 176.117 -0.124 0.000 1.080 214 I CA 1.975 63.134 61.300 -0.236 0.000 1.339 214 I CB -1.169 36.523 38.000 -0.514 0.000 1.039 214 I HN 0.417 nan 8.210 nan 0.000 0.409 215 K N 0.291 120.585 120.400 -0.177 0.000 2.032 215 K HA -0.240 4.080 4.320 -0.000 0.000 0.209 215 K C 2.106 178.584 176.600 -0.204 0.000 1.048 215 K CA 1.453 57.672 56.287 -0.114 0.000 0.927 215 K CB -0.199 32.239 32.500 -0.104 0.000 0.712 215 K HN 0.091 nan 8.250 nan 0.000 0.441 216 L N 0.226 121.275 121.223 -0.291 0.000 1.961 216 L HA -0.155 4.184 4.340 -0.000 0.000 0.210 216 L C 1.997 178.713 176.870 -0.257 0.000 1.072 216 L CA 1.995 56.606 54.840 -0.381 0.000 0.749 216 L CB -1.133 40.519 42.059 -0.678 0.000 0.889 216 L HN 0.436 nan 8.230 nan 0.000 0.432 217 W N 0.674 121.764 121.300 -0.349 0.000 2.290 217 W HA -0.346 4.314 4.660 -0.000 0.000 0.311 217 W C 2.166 178.646 176.519 -0.066 0.000 1.238 217 W CA 2.980 60.317 57.345 -0.014 0.000 1.255 217 W CB -0.520 29.074 29.460 0.224 0.000 1.145 217 W HN 0.322 nan 8.180 nan 0.000 0.506 218 A N -0.186 122.428 122.820 -0.343 0.000 1.929 218 A HA -0.201 4.118 4.320 -0.000 0.000 0.216 218 A C 1.948 179.288 177.584 -0.408 0.000 1.176 218 A CA 1.753 53.395 52.037 -0.658 0.000 0.628 218 A CB -0.770 17.877 19.000 -0.589 0.000 0.816 218 A HN 0.562 nan 8.150 nan 0.000 0.444 219 Q N -1.052 118.553 119.800 -0.325 0.000 2.123 219 Q HA -0.057 4.282 4.340 -0.000 0.000 0.199 219 Q C 2.204 178.038 176.000 -0.277 0.000 0.966 219 Q CA 0.691 56.294 55.803 -0.332 0.000 0.845 219 Q CB -0.060 28.432 28.738 -0.410 0.000 0.907 219 Q HN 0.379 nan 8.270 nan 0.000 0.439 220 R N 0.368 120.715 120.500 -0.254 0.000 2.115 220 R HA -0.003 4.337 4.340 -0.000 0.000 0.230 220 R C 1.447 177.636 176.300 -0.185 0.000 1.111 220 R CA 0.840 56.843 56.100 -0.162 0.000 0.976 220 R CB 0.014 30.267 30.300 -0.079 0.000 0.870 220 R HN 0.116 nan 8.270 nan 0.000 0.445 221 R N 0.089 120.379 120.500 -0.349 0.000 2.334 221 R HA 0.237 4.577 4.340 -0.000 0.000 0.220 221 R C 0.562 176.676 176.300 -0.309 0.000 0.917 221 R CA 0.276 56.174 56.100 -0.337 0.000 1.073 221 R CB -0.295 29.656 30.300 -0.582 0.000 1.056 221 R HN 0.150 nan 8.270 nan 0.000 0.506 222 A N 0.834 123.450 122.820 -0.341 0.000 2.783 222 A HA -0.169 4.151 4.320 -0.000 0.000 0.292 222 A C 0.776 177.923 177.584 -0.729 0.000 1.495 222 A CA 1.066 52.815 52.037 -0.480 0.000 0.787 222 A CB -2.151 16.597 19.000 -0.421 0.000 1.017 222 A HN 0.272 nan 8.150 nan 0.000 0.516 223 V N -4.121 115.452 119.914 -0.568 0.000 2.854 223 V HA 0.645 4.764 4.120 -0.000 0.000 0.366 223 V C -0.321 175.805 176.094 0.052 0.000 1.322 223 V CA 0.230 62.214 62.300 -0.526 0.000 1.243 223 V CB -0.389 31.355 31.823 -0.132 0.000 1.337 223 V HN 1.056 nan 8.190 nan 0.000 0.585 224 Y N 0.920 121.114 120.300 -0.178 0.000 2.400 224 Y HA 0.778 5.328 4.550 -0.000 0.000 0.335 224 Y C -0.349 175.569 175.900 0.031 0.000 1.066 224 Y CA -0.071 58.109 58.100 0.133 0.000 1.285 224 Y CB 1.124 39.594 38.460 0.017 0.000 1.103 224 Y HN 0.541 nan 8.280 nan 0.000 0.490 225 A N 4.514 127.512 122.820 0.298 0.000 2.372 225 A HA 0.112 4.432 4.320 -0.000 0.000 0.309 225 A C -0.994 176.676 177.584 0.144 0.000 1.013 225 A CA -0.548 51.629 52.037 0.232 0.000 0.978 225 A CB 0.124 19.273 19.000 0.249 0.000 1.174 225 A HN 0.813 nan 8.150 nan 0.000 0.357 226 N N 1.867 120.568 118.700 0.002 0.000 2.109 226 N HA -0.084 4.656 4.740 -0.000 0.000 0.188 226 N C 1.588 177.025 175.510 -0.122 0.000 1.034 226 N CA 1.821 54.828 53.050 -0.071 0.000 0.846 226 N CB -0.125 38.303 38.487 -0.098 0.000 1.010 226 N HN 0.813 nan 8.380 nan 0.000 0.425 227 I N -0.621 119.803 120.570 -0.243 0.000 2.623 227 I HA -0.233 3.937 4.170 -0.000 0.000 0.261 227 I C 0.270 176.157 176.117 -0.383 0.000 1.204 227 I CA 1.209 62.272 61.300 -0.395 0.000 1.444 227 I CB -0.092 37.531 38.000 -0.628 0.000 1.094 227 I HN 0.180 nan 8.210 nan 0.000 0.451 228 F N -0.032 119.938 119.950 0.032 0.000 2.639 228 F HA 0.336 4.863 4.527 -0.000 0.000 0.302 228 F C 1.472 177.239 175.800 -0.055 0.000 1.097 228 F CA 0.191 58.224 58.000 0.054 0.000 1.294 228 F CB 0.772 39.868 39.000 0.161 0.000 1.027 228 F HN 0.137 nan 8.300 nan 0.000 0.550 229 G N 0.400 109.183 108.800 -0.028 0.000 2.131 229 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.223 229 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.223 229 G C -0.271 174.296 174.900 -0.555 0.000 0.990 229 G CA -0.472 44.444 45.100 -0.306 0.000 0.671 229 G HN 0.258 nan 8.290 nan 0.000 0.521 230 F N -0.128 119.763 119.950 -0.099 0.000 2.598 230 F HA 0.639 5.166 4.527 -0.000 0.000 0.327 230 F C -2.118 173.541 175.800 -0.235 0.000 1.057 230 F CA -2.691 55.227 58.000 -0.137 0.000 0.957 230 F CB 1.823 40.809 39.000 -0.024 0.000 1.278 230 F HN -0.200 nan 8.300 nan 0.000 0.484 231 P HA 0.176 nan 4.420 nan 0.000 0.268 231 P C -0.216 176.790 177.300 -0.489 0.000 1.204 231 P CA 0.039 62.792 63.100 -0.577 0.000 0.768 231 P CB 0.581 31.478 31.700 -1.337 0.000 0.842 232 G N 1.519 110.066 108.800 -0.422 0.000 2.568 232 G HA2 0.406 4.366 3.960 -0.000 0.000 0.293 232 G HA3 0.406 4.366 3.960 -0.000 0.000 0.293 232 G C 1.280 175.948 174.900 -0.387 0.000 1.347 232 G CA -0.214 44.651 45.100 -0.391 0.000 1.039 232 G HN 0.511 nan 8.290 nan 0.000 0.523 233 G N -0.858 107.811 108.800 -0.218 0.000 2.631 233 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 233 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 233 G C 1.705 176.659 174.900 0.090 0.000 1.214 233 G CA 1.806 46.945 45.100 0.065 0.000 0.785 233 G HN 0.514 nan 8.290 nan 0.000 0.596 234 V N 1.597 121.544 119.914 0.054 0.000 2.332 234 V HA -0.144 3.975 4.120 -0.000 0.000 0.248 234 V C 3.332 179.431 176.094 0.009 0.000 1.055 234 V CA 2.159 64.493 62.300 0.057 0.000 1.038 234 V CB -0.973 30.872 31.823 0.038 0.000 0.651 234 V HN 0.541 nan 8.190 nan 0.000 0.450 235 A N -1.230 121.526 122.820 -0.107 0.000 1.933 235 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 235 A C 1.965 179.460 177.584 -0.147 0.000 1.175 235 A CA 1.725 53.638 52.037 -0.208 0.000 0.628 235 A CB -0.809 17.958 19.000 -0.389 0.000 0.814 235 A HN 0.681 nan 8.150 nan 0.000 0.444 236 W N -0.384 120.907 121.300 -0.015 0.000 2.402 236 W HA 0.032 4.692 4.660 -0.000 0.000 0.286 236 W C 2.697 179.278 176.519 0.104 0.000 1.221 236 W CA 0.773 58.160 57.345 0.070 0.000 1.257 236 W CB 0.052 29.529 29.460 0.028 0.000 1.120 236 W HN 0.417 nan 8.180 nan 0.000 0.551 237 A N 0.356 123.357 122.820 0.302 0.000 1.845 237 A HA -0.250 4.070 4.320 -0.000 0.000 0.215 237 A C 1.890 179.678 177.584 0.341 0.000 1.195 237 A CA 1.987 54.209 52.037 0.309 0.000 0.616 237 A CB -0.937 18.234 19.000 0.284 0.000 0.832 237 A HN 0.241 nan 8.150 nan 0.000 0.443 238 M N -1.204 118.519 119.600 0.205 0.000 2.213 238 M HA -0.112 4.367 4.480 -0.000 0.000 0.263 238 M C 1.977 178.373 176.300 0.159 0.000 1.062 238 M CA 0.959 56.342 55.300 0.138 0.000 1.105 238 M CB -0.393 32.228 32.600 0.035 0.000 1.385 238 M HN 0.321 nan 8.290 nan 0.000 0.417 239 L N -0.228 121.114 121.223 0.197 0.000 2.093 239 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 239 L C 2.275 179.406 176.870 0.435 0.000 1.085 239 L CA 1.417 56.401 54.840 0.239 0.000 0.755 239 L CB -0.702 41.550 42.059 0.321 0.000 0.904 239 L HN 0.078 nan 8.230 nan 0.000 0.435 240 V N -0.873 119.332 119.914 0.484 0.000 2.488 240 V HA -0.145 3.975 4.120 -0.000 0.000 0.246 240 V C 2.663 179.006 176.094 0.415 0.000 1.046 240 V CA 1.157 63.700 62.300 0.406 0.000 1.053 240 V CB -0.845 31.057 31.823 0.131 0.000 0.679 240 V HN 0.467 nan 8.190 nan 0.000 0.458 241 A N 0.485 123.577 122.820 0.452 0.000 1.917 241 A HA -0.306 4.014 4.320 -0.000 0.000 0.219 241 A C 2.286 179.979 177.584 0.182 0.000 1.182 241 A CA 2.414 54.617 52.037 0.277 0.000 0.633 241 A CB -0.561 18.495 19.000 0.094 0.000 0.819 241 A HN 0.446 nan 8.150 nan 0.000 0.448 242 R N 0.034 120.633 120.500 0.165 0.000 2.080 242 R HA -0.118 4.222 4.340 -0.000 0.000 0.236 242 R C 1.817 178.217 176.300 0.168 0.000 1.137 242 R CA 1.965 58.141 56.100 0.126 0.000 0.943 242 R CB -0.630 29.706 30.300 0.060 0.000 0.846 242 R HN 0.481 nan 8.270 nan 0.000 0.431 243 I N 0.024 120.724 120.570 0.218 0.000 2.226 243 I HA -0.292 3.877 4.170 -0.000 0.000 0.245 243 I C 2.412 178.712 176.117 0.305 0.000 1.100 243 I CA 0.975 62.439 61.300 0.274 0.000 1.374 243 I CB -1.515 36.681 38.000 0.327 0.000 1.057 243 I HN 0.230 nan 8.210 nan 0.000 0.413 244 C N 0.517 119.985 119.300 0.280 0.000 2.398 244 C HA -0.208 4.252 4.460 -0.000 0.000 0.276 244 C C 2.876 178.002 174.990 0.226 0.000 1.222 244 C CA 0.793 59.970 59.018 0.264 0.000 1.746 244 C CB -1.212 26.694 27.740 0.277 0.000 2.039 244 C HN 0.546 nan 8.230 nan 0.000 0.470 245 Q N 0.059 119.968 119.800 0.183 0.000 2.181 245 Q HA -0.163 4.177 4.340 -0.000 0.000 0.205 245 Q C 2.094 178.172 176.000 0.130 0.000 0.980 245 Q CA 1.287 57.193 55.803 0.172 0.000 0.862 245 Q CB -0.250 28.567 28.738 0.132 0.000 0.905 245 Q HN 0.699 nan 8.270 nan 0.000 0.429 246 L N -1.044 120.220 121.223 0.069 0.000 2.217 246 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 246 L C 0.190 176.778 176.870 -0.470 0.000 1.107 246 L CA 0.691 55.415 54.840 -0.193 0.000 0.783 246 L CB 0.176 42.109 42.059 -0.210 0.000 0.919 246 L HN 0.209 nan 8.230 nan 0.000 0.442 247 Y N -1.063 119.279 120.300 0.070 0.000 2.662 247 Y HA 0.244 4.794 4.550 -0.000 0.000 0.358 247 Y C -1.589 174.356 175.900 0.074 0.000 1.041 247 Y CA -2.104 56.026 58.100 0.049 0.000 1.184 247 Y CB 0.237 38.733 38.460 0.060 0.000 1.114 247 Y HN -0.111 nan 8.280 nan 0.000 0.650 248 P HA -0.184 nan 4.420 nan 0.000 0.216 248 P C 0.237 177.635 177.300 0.164 0.000 1.150 248 P CA 1.639 64.853 63.100 0.190 0.000 0.843 248 P CB 0.546 32.372 31.700 0.211 0.000 0.787 249 N N -0.530 118.248 118.700 0.129 0.000 2.279 249 N HA 0.233 4.973 4.740 -0.000 0.000 0.226 249 N C 0.660 176.243 175.510 0.121 0.000 1.126 249 N CA -0.070 53.048 53.050 0.112 0.000 0.846 249 N CB 0.376 38.910 38.487 0.077 0.000 1.050 249 N HN 0.153 nan 8.380 nan 0.000 0.502 250 A N 0.194 123.107 122.820 0.155 0.000 2.280 250 A HA 0.227 4.547 4.320 -0.000 0.000 0.268 250 A C 1.633 179.282 177.584 0.109 0.000 1.111 250 A CA -0.401 51.715 52.037 0.133 0.000 0.814 250 A CB 0.278 19.356 19.000 0.130 0.000 1.093 250 A HN 0.477 nan 8.150 nan 0.000 0.498 251 C N -2.266 117.093 119.300 0.098 0.000 2.590 251 C HA 0.522 4.982 4.460 -0.000 0.000 0.272 251 C C 1.459 176.492 174.990 0.073 0.000 1.338 251 C CA 0.767 59.835 59.018 0.084 0.000 1.746 251 C CB -0.157 27.630 27.740 0.078 0.000 2.020 251 C HN 1.131 nan 8.230 nan 0.000 0.531 252 S N -0.731 115.015 115.700 0.078 0.000 1.492 252 S HA -0.116 4.354 4.470 -0.000 0.000 0.252 252 S C 1.447 176.077 174.600 0.051 0.000 0.575 252 S CA 0.939 59.162 58.200 0.038 0.000 0.913 252 S CB -1.970 61.230 63.200 0.000 0.000 0.734 252 S HN 1.142 nan 8.310 nan 0.000 0.488 253 A N 1.567 124.456 122.820 0.116 0.000 1.902 253 A HA 0.052 4.371 4.320 -0.000 0.000 0.217 253 A C 1.970 179.827 177.584 0.454 0.000 1.181 253 A CA 2.310 54.529 52.037 0.304 0.000 0.623 253 A CB -0.795 18.465 19.000 0.433 0.000 0.818 253 A HN 0.776 nan 8.150 nan 0.000 0.443 254 V N 0.534 120.670 119.914 0.369 0.000 2.407 254 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 254 V C 2.401 178.484 176.094 -0.018 0.000 1.055 254 V CA 1.556 63.982 62.300 0.210 0.000 1.049 254 V CB -0.697 31.196 31.823 0.117 0.000 0.662 254 V HN 0.498 nan 8.190 nan 0.000 0.455 255 I N -0.194 120.383 120.570 0.011 0.000 2.226 255 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 255 I C 2.352 178.458 176.117 -0.018 0.000 1.100 255 I CA 1.741 63.033 61.300 -0.013 0.000 1.374 255 I CB -1.006 37.020 38.000 0.043 0.000 1.057 255 I HN 0.290 nan 8.210 nan 0.000 0.413 256 L N 0.232 121.445 121.223 -0.016 0.000 2.083 256 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 256 L C 2.399 179.312 176.870 0.071 0.000 1.083 256 L CA 1.321 56.117 54.840 -0.073 0.000 0.752 256 L CB -0.696 41.400 42.059 0.060 0.000 0.899 256 L HN 0.416 nan 8.230 nan 0.000 0.433 257 N N 0.113 118.854 118.700 0.069 0.000 2.062 257 N HA -0.183 4.557 4.740 -0.000 0.000 0.191 257 N C 2.036 177.532 175.510 -0.024 0.000 1.042 257 N CA 1.012 54.048 53.050 -0.024 0.000 0.845 257 N CB 0.149 38.392 38.487 -0.406 0.000 1.024 257 N HN 0.173 nan 8.380 nan 0.000 0.424 258 R N 0.558 120.983 120.500 -0.126 0.000 2.105 258 R HA -0.149 4.191 4.340 -0.000 0.000 0.239 258 R C 2.087 178.384 176.300 -0.007 0.000 1.135 258 R CA 0.674 56.708 56.100 -0.109 0.000 0.967 258 R CB -1.506 28.593 30.300 -0.334 0.000 0.861 258 R HN 0.388 nan 8.270 nan 0.000 0.442 259 F N 1.000 120.830 119.950 -0.200 0.000 2.027 259 F HA -0.288 4.239 4.527 -0.000 0.000 0.297 259 F C 2.080 177.628 175.800 -0.420 0.000 1.129 259 F CA 1.748 59.548 58.000 -0.332 0.000 1.195 259 F CB -0.648 38.014 39.000 -0.563 0.000 0.960 259 F HN -0.104 nan 8.300 nan 0.000 0.485 260 F N 0.236 120.160 119.950 -0.043 0.000 2.171 260 F HA -0.210 4.316 4.527 -0.000 0.000 0.300 260 F C 2.338 178.039 175.800 -0.166 0.000 1.090 260 F CA 1.343 59.217 58.000 -0.209 0.000 1.293 260 F CB -0.520 38.438 39.000 -0.069 0.000 1.013 260 F HN 0.008 nan 8.300 nan 0.000 0.486 261 I N -0.165 120.451 120.570 0.076 0.000 2.193 261 I HA -0.274 3.896 4.170 -0.000 0.000 0.240 261 I C 2.276 178.421 176.117 0.046 0.000 1.084 261 I CA 1.346 62.682 61.300 0.060 0.000 1.365 261 I CB -0.442 37.577 38.000 0.032 0.000 1.064 261 I HN 0.074 nan 8.210 nan 0.000 0.410 262 I N 0.658 121.239 120.570 0.019 0.000 2.226 262 I HA -0.282 3.887 4.170 -0.000 0.000 0.245 262 I C 2.351 178.533 176.117 0.110 0.000 1.100 262 I CA 1.487 62.834 61.300 0.078 0.000 1.374 262 I CB -0.216 37.860 38.000 0.126 0.000 1.057 262 I HN 0.211 nan 8.210 nan 0.000 0.413 263 L N 0.185 121.328 121.223 -0.134 0.000 2.291 263 L HA -0.109 4.231 4.340 -0.000 0.000 0.214 263 L C 2.705 179.779 176.870 0.342 0.000 1.120 263 L CA 1.105 55.896 54.840 -0.081 0.000 0.799 263 L CB -0.510 41.100 42.059 -0.748 0.000 0.925 263 L HN 0.355 nan 8.230 nan 0.000 0.446 264 S N -0.433 115.417 115.700 0.251 0.000 2.388 264 S HA -0.120 4.350 4.470 -0.000 0.000 0.223 264 S C 1.615 176.454 174.600 0.397 0.000 1.034 264 S CA 0.508 58.996 58.200 0.481 0.000 0.963 264 S CB -0.209 63.216 63.200 0.375 0.000 0.827 264 S HN 0.455 nan 8.310 nan 0.000 0.481 265 E N 0.092 120.444 120.200 0.254 0.000 2.482 265 E HA 0.027 4.377 4.350 -0.000 0.000 0.196 265 E C 0.206 176.881 176.600 0.125 0.000 1.047 265 E CA -0.331 56.171 56.400 0.169 0.000 0.869 265 E CB -0.023 29.733 29.700 0.093 0.000 0.836 265 E HN 0.605 nan 8.360 nan 0.000 0.520 266 W N 2.757 124.006 121.300 -0.085 0.000 2.295 266 W HA -0.041 4.619 4.660 -0.000 0.000 0.335 266 W C 0.294 176.490 176.519 -0.539 0.000 1.351 266 W CA 0.299 57.394 57.345 -0.417 0.000 1.273 266 W CB 0.110 29.110 29.460 -0.766 0.000 1.214 266 W HN -0.012 nan 8.180 nan 0.000 0.563 267 N N 6.267 124.646 118.700 -0.535 0.000 3.103 267 N HA -0.039 4.701 4.740 -0.000 0.000 0.305 267 N C -0.456 174.987 175.510 -0.111 0.000 1.232 267 N CA -0.492 52.395 53.050 -0.272 0.000 1.190 267 N CB -0.253 38.057 38.487 -0.296 0.000 1.461 267 N HN 0.228 nan 8.380 nan 0.000 0.538 268 W N 1.658 123.164 121.300 0.343 0.000 2.148 268 W HA 0.127 4.787 4.660 -0.000 0.000 0.347 268 W C -1.193 175.439 176.519 0.187 0.000 1.288 268 W CA -1.419 56.111 57.345 0.309 0.000 1.252 268 W CB 0.089 29.687 29.460 0.229 0.000 1.156 268 W HN 0.368 nan 8.180 nan 0.000 0.580 269 P HA -0.006 nan 4.420 nan 0.000 0.244 269 P C -0.570 176.989 177.300 0.431 0.000 1.632 269 P CA 0.118 63.503 63.100 0.475 0.000 0.944 269 P CB 0.123 32.042 31.700 0.364 0.000 1.569 270 Q N 2.503 122.503 119.800 0.334 0.000 2.300 270 Q HA 0.133 4.473 4.340 -0.000 0.000 0.280 270 Q C -1.915 174.352 176.000 0.446 0.000 1.033 270 Q CA -1.430 54.546 55.803 0.289 0.000 0.903 270 Q CB 0.351 29.127 28.738 0.064 0.000 1.195 270 Q HN 0.321 nan 8.270 nan 0.000 0.386 271 P HA 0.017 nan 4.420 nan 0.000 0.272 271 P C -0.740 176.712 177.300 0.253 0.000 1.223 271 P CA -0.122 63.122 63.100 0.240 0.000 0.784 271 P CB 0.797 32.551 31.700 0.091 0.000 0.923 272 V N 4.492 124.445 119.914 0.064 0.000 2.348 272 V HA 0.233 4.353 4.120 -0.000 0.000 0.270 272 V C 0.557 176.647 176.094 -0.006 0.000 1.037 272 V CA -0.143 62.148 62.300 -0.015 0.000 0.872 272 V CB 0.145 31.830 31.823 -0.229 0.000 1.002 272 V HN 0.364 nan 8.190 nan 0.000 0.464 273 I N 5.313 125.925 120.570 0.070 0.000 2.406 273 I HA 0.351 4.521 4.170 -0.000 0.000 0.290 273 I C 0.728 176.878 176.117 0.055 0.000 0.999 273 I CA -0.101 61.227 61.300 0.047 0.000 1.124 273 I CB 2.093 40.143 38.000 0.084 0.000 1.289 273 I HN 0.440 nan 8.210 nan 0.000 0.441 274 L N 5.453 126.694 121.223 0.029 0.000 2.446 274 L HA 0.203 4.543 4.340 -0.000 0.000 0.219 274 L C 0.496 177.382 176.870 0.027 0.000 1.116 274 L CA 0.409 55.266 54.840 0.028 0.000 0.844 274 L CB -0.306 41.756 42.059 0.006 0.000 0.970 274 L HN 0.633 nan 8.230 nan 0.000 0.457 275 K N -1.264 119.156 120.400 0.033 0.000 2.598 275 K HA 0.394 4.714 4.320 -0.000 0.000 0.271 275 K C -3.021 173.608 176.600 0.050 0.000 0.947 275 K CA -1.525 54.782 56.287 0.032 0.000 0.854 275 K CB 1.151 33.661 32.500 0.017 0.000 1.401 275 K HN -0.371 nan 8.250 nan 0.000 0.415 276 P HA 0.010 nan 4.420 nan 0.000 0.264 276 P C -0.459 176.891 177.300 0.082 0.000 1.183 276 P CA 0.116 63.255 63.100 0.066 0.000 0.763 276 P CB 0.285 32.016 31.700 0.051 0.000 0.807 277 I N 3.086 123.723 120.570 0.111 0.000 2.683 277 I HA -0.030 4.139 4.170 -0.000 0.000 0.286 277 I C 1.263 177.461 176.117 0.136 0.000 1.175 277 I CA 0.440 61.825 61.300 0.141 0.000 1.429 277 I CB 0.162 38.272 38.000 0.183 0.000 1.371 277 I HN 0.415 nan 8.210 nan 0.000 0.569 278 E N 5.677 125.979 120.200 0.170 0.000 2.239 278 E HA 0.425 4.775 4.350 -0.000 0.000 0.261 278 E C -1.221 175.483 176.600 0.175 0.000 1.016 278 E CA -0.951 55.526 56.400 0.128 0.000 0.882 278 E CB 1.262 31.002 29.700 0.066 0.000 1.190 278 E HN 0.430 nan 8.360 nan 0.000 0.415 279 D N -0.355 120.056 120.400 0.019 0.000 2.385 279 D HA 0.577 5.217 4.640 -0.000 0.000 0.254 279 D C 0.069 176.170 176.300 -0.332 0.000 1.053 279 D CA -0.521 53.481 54.000 0.003 0.000 0.992 279 D CB 1.851 42.648 40.800 -0.005 0.000 1.145 279 D HN 0.626 nan 8.370 nan 0.000 0.523 280 G N 0.038 108.691 108.800 -0.245 0.000 2.348 280 G HA2 0.170 4.129 3.960 -0.000 0.000 0.296 280 G HA3 0.170 4.129 3.960 -0.000 0.000 0.296 280 G C -2.475 172.405 174.900 -0.034 0.000 1.258 280 G CA -0.640 44.185 45.100 -0.458 0.000 0.868 280 G HN 0.257 nan 8.290 nan 0.000 0.488 281 P HA 0.158 nan 4.420 nan 0.000 0.242 281 P C 0.343 177.743 177.300 0.167 0.000 1.197 281 P CA 0.699 63.854 63.100 0.093 0.000 0.765 281 P CB 0.067 31.799 31.700 0.053 0.000 0.936 282 L N -0.651 120.760 121.223 0.312 0.000 3.025 282 L HA 0.309 4.649 4.340 -0.000 0.000 0.307 282 L C 1.506 178.468 176.870 0.153 0.000 1.303 282 L CA -0.343 54.596 54.840 0.166 0.000 0.817 282 L CB 0.648 42.744 42.059 0.062 0.000 1.227 282 L HN -0.263 nan 8.230 nan 0.000 0.571 283 Q N 0.977 120.895 119.800 0.196 0.000 2.248 283 Q HA -0.162 4.178 4.340 -0.000 0.000 0.208 283 Q C 2.141 178.212 176.000 0.119 0.000 0.984 283 Q CA 2.130 58.037 55.803 0.172 0.000 0.875 283 Q CB -0.011 28.809 28.738 0.138 0.000 0.910 283 Q HN 0.638 nan 8.270 nan 0.000 0.433 284 V N -2.472 117.499 119.914 0.095 0.000 2.970 284 V HA -0.089 4.031 4.120 -0.000 0.000 0.260 284 V C 1.502 177.615 176.094 0.032 0.000 1.100 284 V CA 1.557 63.925 62.300 0.115 0.000 1.122 284 V CB -0.422 31.458 31.823 0.095 0.000 0.721 284 V HN 0.188 nan 8.190 nan 0.000 0.483 285 R N 0.095 120.579 120.500 -0.026 0.000 2.317 285 R HA 0.342 4.682 4.340 -0.000 0.000 0.208 285 R C 0.347 176.608 176.300 -0.066 0.000 0.914 285 R CA -0.090 55.955 56.100 -0.092 0.000 1.060 285 R CB 0.341 30.565 30.300 -0.126 0.000 1.015 285 R HN 0.446 nan 8.270 nan 0.000 0.498 286 V N 1.518 121.429 119.914 -0.004 0.000 2.555 286 V HA -0.039 4.081 4.120 -0.000 0.000 0.286 286 V C -0.024 176.172 176.094 0.170 0.000 1.044 286 V CA -0.627 61.711 62.300 0.064 0.000 1.026 286 V CB 0.410 32.299 31.823 0.109 0.000 0.981 286 V HN 0.248 nan 8.190 nan 0.000 0.480 287 W N 5.985 127.300 121.300 0.026 0.000 2.257 287 W HA 0.163 4.823 4.660 -0.000 0.000 0.337 287 W C 0.474 177.071 176.519 0.131 0.000 1.321 287 W CA 0.195 57.586 57.345 0.076 0.000 1.267 287 W CB 0.094 29.603 29.460 0.082 0.000 1.187 287 W HN 0.719 nan 8.180 nan 0.000 0.565 288 N N 6.680 125.124 118.700 -0.427 0.000 3.049 288 N HA 0.100 4.840 4.740 -0.000 0.000 0.241 288 N C -1.891 173.317 175.510 -0.503 0.000 1.323 288 N CA -0.941 51.869 53.050 -0.400 0.000 0.824 288 N CB 1.413 39.859 38.487 -0.068 0.000 1.557 288 N HN 0.120 nan 8.380 nan 0.000 0.612 289 P HA -0.119 nan 4.420 nan 0.000 0.222 289 P C 0.687 177.827 177.300 -0.266 0.000 1.147 289 P CA 0.966 63.770 63.100 -0.493 0.000 0.790 289 P CB 0.475 31.885 31.700 -0.484 0.000 0.780 290 K N -0.199 120.057 120.400 -0.240 0.000 2.116 290 K HA 0.083 4.402 4.320 -0.000 0.000 0.203 290 K C 2.181 178.652 176.600 -0.215 0.000 1.052 290 K CA 1.002 57.183 56.287 -0.177 0.000 0.952 290 K CB -0.589 31.828 32.500 -0.138 0.000 0.729 290 K HN 0.186 nan 8.250 nan 0.000 0.446 291 I N -1.206 119.181 120.570 -0.304 0.000 2.585 291 I HA -0.069 4.100 4.170 -0.000 0.000 0.254 291 I C -0.075 175.671 176.117 -0.619 0.000 1.129 291 I CA 0.413 61.412 61.300 -0.501 0.000 1.455 291 I CB 0.173 37.737 38.000 -0.727 0.000 1.111 291 I HN -0.041 nan 8.210 nan 0.000 0.433 292 Y N 0.361 120.560 120.300 -0.168 0.000 2.334 292 Y HA 0.507 5.057 4.550 -0.000 0.000 0.336 292 Y C 1.139 176.937 175.900 -0.170 0.000 0.960 292 Y CA -0.737 57.271 58.100 -0.154 0.000 1.164 292 Y CB 1.400 39.763 38.460 -0.162 0.000 1.155 292 Y HN -0.086 nan 8.280 nan 0.000 0.478 293 A N 2.401 125.223 122.820 0.003 0.000 1.908 293 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 293 A C 2.146 179.700 177.584 -0.049 0.000 1.181 293 A CA 2.130 54.148 52.037 -0.032 0.000 0.627 293 A CB -0.504 18.486 19.000 -0.016 0.000 0.818 293 A HN 0.928 nan 8.150 nan 0.000 0.445 294 Q N -0.566 119.216 119.800 -0.029 0.000 2.112 294 Q HA -0.275 4.065 4.340 -0.000 0.000 0.206 294 Q C 1.256 177.082 176.000 -0.289 0.000 0.987 294 Q CA 2.073 57.827 55.803 -0.081 0.000 0.858 294 Q CB -0.219 28.492 28.738 -0.045 0.000 0.905 294 Q HN 0.612 nan 8.270 nan 0.000 0.420 295 D N -0.326 119.901 120.400 -0.288 0.000 2.178 295 D HA -0.145 4.494 4.640 -0.000 0.000 0.202 295 D C 1.772 177.883 176.300 -0.315 0.000 0.974 295 D CA 0.850 54.576 54.000 -0.457 0.000 0.841 295 D CB -0.218 40.276 40.800 -0.511 0.000 0.953 295 D HN 0.266 nan 8.370 nan 0.000 0.478 296 R N 0.708 121.087 120.500 -0.201 0.000 2.148 296 R HA -0.086 4.254 4.340 -0.000 0.000 0.227 296 R C 1.974 178.282 176.300 0.013 0.000 1.103 296 R CA 1.318 57.374 56.100 -0.072 0.000 0.983 296 R CB 0.075 30.334 30.300 -0.069 0.000 0.874 296 R HN 0.174 nan 8.270 nan 0.000 0.451 297 S N -1.033 114.645 115.700 -0.036 0.000 2.461 297 S HA -0.068 4.402 4.470 -0.000 0.000 0.228 297 S C 0.305 174.991 174.600 0.144 0.000 1.005 297 S CA -0.066 58.157 58.200 0.038 0.000 0.942 297 S CB -0.402 62.812 63.200 0.023 0.000 0.776 297 S HN 0.417 nan 8.310 nan 0.000 0.514 298 H N 1.492 120.680 119.070 0.197 0.000 3.094 298 H HA 0.139 4.695 4.556 -0.000 0.000 0.320 298 H C 1.376 176.793 175.328 0.149 0.000 1.000 298 H CA -0.073 56.084 56.048 0.182 0.000 1.413 298 H CB 0.558 30.506 29.762 0.309 0.000 1.405 298 H HN 0.279 nan 8.280 nan 0.000 0.586 299 R N 2.541 123.144 120.500 0.171 0.000 2.140 299 R HA 0.109 4.449 4.340 -0.000 0.000 0.213 299 R C 0.132 176.493 176.300 0.101 0.000 1.059 299 R CA 0.831 56.997 56.100 0.109 0.000 1.000 299 R CB 0.465 30.762 30.300 -0.005 0.000 0.910 299 R HN 0.595 nan 8.270 nan 0.000 0.455 300 M N 1.463 121.036 119.600 -0.045 0.000 2.067 300 M HA 0.290 4.770 4.480 -0.000 0.000 0.214 300 M C -2.611 173.640 176.300 -0.082 0.000 0.891 300 M CA -1.895 53.279 55.300 -0.210 0.000 0.697 300 M CB 2.400 34.477 32.600 -0.872 0.000 1.616 300 M HN -0.290 nan 8.290 nan 0.000 0.354 301 P HA 0.182 nan 4.420 nan 0.000 0.276 301 P C -0.728 176.494 177.300 -0.131 0.000 1.253 301 P CA -0.170 62.893 63.100 -0.062 0.000 0.766 301 P CB 0.805 32.492 31.700 -0.022 0.000 0.845 302 V N 5.856 125.609 119.914 -0.268 0.000 2.380 302 V HA 0.320 4.440 4.120 -0.000 0.000 0.286 302 V C 0.138 176.048 176.094 -0.308 0.000 1.015 302 V CA -0.710 61.450 62.300 -0.235 0.000 0.834 302 V CB 1.426 33.118 31.823 -0.217 0.000 1.009 302 V HN 0.458 nan 8.190 nan 0.000 0.428 303 I N 3.259 123.639 120.570 -0.317 0.000 2.412 303 I HA 0.641 4.811 4.170 -0.000 0.000 0.296 303 I C 0.478 176.502 176.117 -0.155 0.000 0.987 303 I CA -0.258 60.855 61.300 -0.311 0.000 1.180 303 I CB 1.730 39.460 38.000 -0.451 0.000 1.340 303 I HN 0.671 nan 8.210 nan 0.000 0.455 304 T N 4.187 118.669 114.554 -0.120 0.000 2.926 304 T HA 0.301 4.651 4.350 -0.000 0.000 0.307 304 T C -1.530 173.150 174.700 -0.032 0.000 1.059 304 T CA -0.862 61.199 62.100 -0.065 0.000 1.122 304 T CB 0.648 69.480 68.868 -0.060 0.000 0.972 304 T HN 0.676 nan 8.240 nan 0.000 0.545 305 P HA 0.138 nan 4.420 nan 0.000 0.222 305 P C 0.572 177.890 177.300 0.030 0.000 1.157 305 P CA 0.259 63.366 63.100 0.011 0.000 0.816 305 P CB -0.088 31.613 31.700 0.003 0.000 0.813 306 A N 0.490 123.318 122.820 0.014 0.000 2.488 306 A HA 0.061 4.381 4.320 -0.000 0.000 0.249 306 A C -0.333 177.281 177.584 0.050 0.000 1.083 306 A CA -0.250 51.806 52.037 0.031 0.000 0.768 306 A CB -0.888 18.110 19.000 -0.003 0.000 1.017 306 A HN 0.191 nan 8.150 nan 0.000 0.496 307 Y N 5.172 125.462 120.300 -0.016 0.000 2.511 307 Y HA 0.345 4.895 4.550 -0.000 0.000 0.332 307 Y C -1.846 174.044 175.900 -0.018 0.000 1.177 307 Y CA -1.304 56.792 58.100 -0.007 0.000 1.422 307 Y CB 0.659 39.114 38.460 -0.007 0.000 1.271 307 Y HN 0.502 nan 8.280 nan 0.000 0.550 308 P HA 0.170 nan 4.420 nan 0.000 0.296 308 P C -1.040 176.094 177.300 -0.276 0.000 1.306 308 P CA -0.501 62.050 63.100 -0.916 0.000 0.818 308 P CB 1.405 32.500 31.700 -1.009 0.000 0.969 309 S N 3.524 119.172 115.700 -0.087 0.000 2.546 309 S HA 0.196 4.665 4.470 -0.000 0.000 0.290 309 S C 0.486 175.110 174.600 0.039 0.000 1.290 309 S CA 0.212 58.415 58.200 0.005 0.000 1.069 309 S CB -0.346 62.906 63.200 0.088 0.000 0.846 309 S HN 0.425 nan 8.310 nan 0.000 0.495 310 M N 1.633 121.223 119.600 -0.016 0.000 2.593 310 M HA 0.342 4.821 4.480 -0.000 0.000 0.290 310 M C -0.662 175.538 176.300 -0.167 0.000 1.244 310 M CA -0.665 54.631 55.300 -0.007 0.000 0.857 310 M CB 1.971 34.557 32.600 -0.023 0.000 1.738 310 M HN 0.599 nan 8.290 nan 0.000 0.461 311 C N 1.417 120.577 119.300 -0.234 0.000 2.514 311 C HA 0.604 5.064 4.460 -0.000 0.000 0.392 311 C C 1.365 176.195 174.990 -0.267 0.000 1.294 311 C CA 0.089 58.854 59.018 -0.422 0.000 1.957 311 C CB 0.040 27.457 27.740 -0.538 0.000 2.541 311 C HN 0.954 nan 8.230 nan 0.000 0.569 312 A N 3.365 126.028 122.820 -0.263 0.000 2.147 312 A HA 0.131 4.450 4.320 -0.000 0.000 0.211 312 A C 1.429 178.879 177.584 -0.223 0.000 1.160 312 A CA 1.093 53.012 52.037 -0.196 0.000 0.781 312 A CB -0.290 18.606 19.000 -0.173 0.000 0.842 312 A HN 1.034 nan 8.150 nan 0.000 0.475 313 T N -3.297 111.082 114.554 -0.292 0.000 3.256 313 T HA 0.242 4.592 4.350 -0.000 0.000 0.249 313 T C 0.848 175.355 174.700 -0.323 0.000 0.975 313 T CA 0.128 62.042 62.100 -0.310 0.000 1.011 313 T CB -0.377 68.276 68.868 -0.359 0.000 1.127 313 T HN 0.469 nan 8.240 nan 0.000 0.543 314 H N 2.753 121.597 119.070 -0.377 0.000 2.353 314 H HA -0.028 4.528 4.556 -0.000 0.000 0.300 314 H C 1.736 176.965 175.328 -0.166 0.000 1.090 314 H CA 1.851 57.675 56.048 -0.373 0.000 1.327 314 H CB -0.133 29.501 29.762 -0.213 0.000 1.383 314 H HN 0.296 nan 8.280 nan 0.000 0.508 315 N N 0.699 119.134 118.700 -0.441 0.000 2.453 315 N HA -0.063 4.677 4.740 -0.000 0.000 0.183 315 N C 0.217 175.516 175.510 -0.352 0.000 1.041 315 N CA 0.543 53.338 53.050 -0.426 0.000 0.900 315 N CB -0.174 38.171 38.487 -0.236 0.000 0.961 315 N HN 0.426 nan 8.380 nan 0.000 0.443 316 I N 1.818 122.182 120.570 -0.342 0.000 2.826 316 I HA -0.138 4.031 4.170 -0.000 0.000 0.295 316 I C 1.279 177.229 176.117 -0.278 0.000 1.213 316 I CA 0.409 61.502 61.300 -0.345 0.000 1.436 316 I CB 0.200 37.992 38.000 -0.347 0.000 1.348 316 I HN 0.125 nan 8.210 nan 0.000 0.570 317 T N 1.271 115.653 114.554 -0.288 0.000 2.922 317 T HA 0.248 4.598 4.350 -0.000 0.000 0.281 317 T C 0.742 175.331 174.700 -0.185 0.000 1.005 317 T CA -0.687 61.291 62.100 -0.203 0.000 0.982 317 T CB 1.764 70.521 68.868 -0.185 0.000 1.158 317 T HN 0.562 nan 8.240 nan 0.000 0.566 318 E N 0.295 120.420 120.200 -0.126 0.000 2.204 318 E HA -0.022 4.328 4.350 -0.000 0.000 0.194 318 E C 2.145 178.673 176.600 -0.120 0.000 0.989 318 E CA 1.360 57.700 56.400 -0.100 0.000 0.824 318 E CB -0.647 29.017 29.700 -0.059 0.000 0.756 318 E HN 0.609 nan 8.360 nan 0.000 0.477 319 S N -0.697 114.918 115.700 -0.141 0.000 2.335 319 S HA -0.139 4.331 4.470 -0.000 0.000 0.217 319 S C 2.083 176.551 174.600 -0.220 0.000 1.032 319 S CA 1.663 59.776 58.200 -0.145 0.000 0.985 319 S CB -0.863 62.261 63.200 -0.127 0.000 0.896 319 S HN 0.658 nan 8.310 nan 0.000 0.445 320 T N 1.235 115.580 114.554 -0.349 0.000 2.803 320 T HA -0.153 4.197 4.350 -0.000 0.000 0.269 320 T C 1.652 176.109 174.700 -0.404 0.000 1.052 320 T CA 1.619 63.368 62.100 -0.585 0.000 1.136 320 T CB -0.397 67.804 68.868 -1.112 0.000 0.864 320 T HN 0.394 nan 8.240 nan 0.000 0.467 321 K N 1.250 121.457 120.400 -0.322 0.000 2.057 321 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 321 K C 2.399 178.885 176.600 -0.191 0.000 1.049 321 K CA 1.121 57.238 56.287 -0.283 0.000 0.931 321 K CB -0.132 32.222 32.500 -0.242 0.000 0.714 321 K HN 0.365 nan 8.250 nan 0.000 0.440 322 K N 0.455 120.778 120.400 -0.128 0.000 2.009 322 K HA -0.129 4.191 4.320 -0.000 0.000 0.210 322 K C 2.137 178.713 176.600 -0.040 0.000 1.049 322 K CA 1.674 57.929 56.287 -0.053 0.000 0.929 322 K CB -0.291 32.194 32.500 -0.025 0.000 0.714 322 K HN -0.008 nan 8.250 nan 0.000 0.440 323 V N 2.282 122.152 119.914 -0.072 0.000 2.219 323 V HA -0.308 3.811 4.120 -0.000 0.000 0.248 323 V C 2.328 178.422 176.094 0.000 0.000 1.053 323 V CA 1.974 64.253 62.300 -0.034 0.000 1.009 323 V CB -0.516 31.247 31.823 -0.100 0.000 0.636 323 V HN 0.282 nan 8.190 nan 0.000 0.445 324 I N -0.421 120.125 120.570 -0.041 0.000 2.113 324 I HA -0.335 3.835 4.170 -0.000 0.000 0.242 324 I C 2.363 178.263 176.117 -0.362 0.000 1.064 324 I CA 1.881 63.068 61.300 -0.188 0.000 1.320 324 I CB -0.441 37.371 38.000 -0.315 0.000 1.028 324 I HN 0.275 nan 8.210 nan 0.000 0.406 325 L N -0.223 120.871 121.223 -0.214 0.000 2.191 325 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 325 L C 2.595 179.554 176.870 0.149 0.000 1.103 325 L CA 1.235 56.077 54.840 0.003 0.000 0.769 325 L CB -0.527 41.577 42.059 0.075 0.000 0.908 325 L HN 0.368 nan 8.230 nan 0.000 0.438 326 Q N -0.494 119.370 119.800 0.108 0.000 2.049 326 Q HA -0.162 4.178 4.340 -0.000 0.000 0.198 326 Q C 2.153 178.283 176.000 0.216 0.000 0.971 326 Q CA 1.030 56.924 55.803 0.152 0.000 0.833 326 Q CB 0.063 28.875 28.738 0.124 0.000 0.896 326 Q HN 0.381 nan 8.270 nan 0.000 0.434 327 E N 0.299 120.640 120.200 0.235 0.000 2.153 327 E HA -0.147 4.202 4.350 -0.000 0.000 0.194 327 E C 1.763 178.758 176.600 0.659 0.000 0.988 327 E CA 0.927 57.565 56.400 0.398 0.000 0.811 327 E CB -0.173 29.744 29.700 0.362 0.000 0.746 327 E HN 0.433 nan 8.360 nan 0.000 0.466 328 F N 0.404 120.651 119.950 0.495 0.000 2.113 328 F HA -0.196 4.331 4.527 -0.000 0.000 0.297 328 F C 2.501 178.453 175.800 0.253 0.000 1.103 328 F CA 0.371 58.672 58.000 0.501 0.000 1.248 328 F CB -0.054 39.217 39.000 0.451 0.000 0.999 328 F HN -0.116 nan 8.300 nan 0.000 0.475 329 V N 0.484 120.638 119.914 0.400 0.000 2.295 329 V HA -0.331 3.789 4.120 -0.000 0.000 0.246 329 V C 2.351 178.513 176.094 0.113 0.000 1.049 329 V CA 2.054 64.488 62.300 0.223 0.000 1.024 329 V CB -0.715 31.221 31.823 0.188 0.000 0.648 329 V HN 0.282 nan 8.190 nan 0.000 0.447 330 R N 0.339 120.911 120.500 0.121 0.000 2.096 330 R HA -0.180 4.159 4.340 -0.000 0.000 0.240 330 R C 2.322 178.564 176.300 -0.096 0.000 1.139 330 R CA 2.074 58.204 56.100 0.050 0.000 0.952 330 R CB -0.882 29.486 30.300 0.113 0.000 0.854 330 R HN 0.525 nan 8.270 nan 0.000 0.436 331 G N -0.107 108.526 108.800 -0.279 0.000 2.442 331 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.219 331 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.219 331 G C 1.375 175.917 174.900 -0.596 0.000 1.141 331 G CA 0.953 45.424 45.100 -1.048 0.000 0.763 331 G HN 0.267 nan 8.290 nan 0.000 0.554 332 V N 0.209 120.008 119.914 -0.191 0.000 2.453 332 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 332 V C 2.829 178.884 176.094 -0.066 0.000 1.048 332 V CA 1.967 64.245 62.300 -0.037 0.000 1.049 332 V CB -0.364 31.493 31.823 0.056 0.000 0.672 332 V HN 0.431 nan 8.190 nan 0.000 0.457 333 Q N -0.305 119.458 119.800 -0.062 0.000 2.020 333 Q HA -0.078 4.262 4.340 -0.000 0.000 0.198 333 Q C 2.300 178.254 176.000 -0.077 0.000 0.974 333 Q CA 1.644 57.418 55.803 -0.048 0.000 0.829 333 Q CB -0.166 28.559 28.738 -0.020 0.000 0.894 333 Q HN 0.542 nan 8.270 nan 0.000 0.433 334 I N 1.001 121.507 120.570 -0.106 0.000 2.179 334 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 334 I C 2.678 178.708 176.117 -0.145 0.000 1.088 334 I CA 1.645 62.873 61.300 -0.119 0.000 1.357 334 I CB -0.655 37.275 38.000 -0.118 0.000 1.051 334 I HN 0.354 nan 8.210 nan 0.000 0.409 335 T N -2.283 112.182 114.554 -0.149 0.000 2.962 335 T HA -0.110 4.239 4.350 -0.000 0.000 0.270 335 T C 1.456 176.089 174.700 -0.111 0.000 1.088 335 T CA 1.465 63.496 62.100 -0.113 0.000 1.127 335 T CB -0.750 68.125 68.868 0.011 0.000 0.883 335 T HN 0.388 nan 8.240 nan 0.000 0.493 336 N N 1.014 119.641 118.700 -0.121 0.000 2.216 336 N HA -0.079 4.661 4.740 -0.000 0.000 0.183 336 N C 1.560 177.052 175.510 -0.030 0.000 1.017 336 N CA 1.110 54.097 53.050 -0.104 0.000 0.861 336 N CB -0.022 38.417 38.487 -0.081 0.000 0.986 336 N HN 0.358 nan 8.380 nan 0.000 0.428 337 D N 0.970 121.337 120.400 -0.055 0.000 2.117 337 D HA -0.055 4.585 4.640 -0.000 0.000 0.198 337 D C 1.920 178.174 176.300 -0.078 0.000 0.982 337 D CA 0.680 54.646 54.000 -0.058 0.000 0.828 337 D CB -0.033 40.720 40.800 -0.077 0.000 0.967 337 D HN 0.297 nan 8.370 nan 0.000 0.464 338 I N 0.197 120.687 120.570 -0.132 0.000 2.361 338 I HA -0.257 3.913 4.170 -0.000 0.000 0.251 338 I C 1.912 177.949 176.117 -0.133 0.000 1.133 338 I CA 0.731 61.872 61.300 -0.266 0.000 1.413 338 I CB -0.148 37.489 38.000 -0.605 0.000 1.073 338 I HN -0.099 nan 8.210 nan 0.000 0.424 339 F N 0.812 120.626 119.950 -0.226 0.000 2.367 339 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 339 F C 2.617 178.357 175.800 -0.100 0.000 1.094 339 F CA 0.959 58.877 58.000 -0.137 0.000 1.409 339 F CB -0.399 38.551 39.000 -0.083 0.000 1.064 339 F HN 0.056 nan 8.300 nan 0.000 0.528 340 S N -1.135 114.607 115.700 0.069 0.000 2.597 340 S HA 0.096 4.566 4.470 -0.000 0.000 0.224 340 S C 0.358 174.938 174.600 -0.033 0.000 0.955 340 S CA 0.085 58.294 58.200 0.015 0.000 0.933 340 S CB -0.906 62.301 63.200 0.013 0.000 0.788 340 S HN 0.441 nan 8.310 nan 0.000 0.488 341 N N 1.112 119.770 118.700 -0.070 0.000 2.741 341 N HA -0.167 4.573 4.740 -0.000 0.000 0.250 341 N C 0.529 175.987 175.510 -0.086 0.000 1.115 341 N CA 1.260 54.251 53.050 -0.099 0.000 0.724 341 N CB -1.339 37.099 38.487 -0.081 0.000 1.090 341 N HN 0.578 nan 8.380 nan 0.000 0.558 342 K N -0.253 120.100 120.400 -0.080 0.000 2.314 342 K HA 0.151 4.471 4.320 -0.000 0.000 0.198 342 K C 0.517 177.066 176.600 -0.085 0.000 1.045 342 K CA 0.740 56.986 56.287 -0.068 0.000 0.988 342 K CB 0.355 32.825 32.500 -0.051 0.000 0.783 342 K HN 0.255 nan 8.250 nan 0.000 0.484 343 K N 0.097 120.424 120.400 -0.122 0.000 2.283 343 K HA 0.308 4.628 4.320 -0.000 0.000 0.257 343 K C -0.745 175.729 176.600 -0.210 0.000 1.066 343 K CA -0.770 55.434 56.287 -0.140 0.000 0.891 343 K CB 2.055 34.475 32.500 -0.134 0.000 1.438 343 K HN -0.042 nan 8.250 nan 0.000 0.464 344 S N -1.549 114.025 115.700 -0.209 0.000 2.634 344 S HA 0.314 4.784 4.470 -0.000 0.000 0.296 344 S C 0.270 174.702 174.600 -0.280 0.000 1.104 344 S CA -0.906 57.138 58.200 -0.261 0.000 0.920 344 S CB 0.604 63.733 63.200 -0.120 0.000 1.111 344 S HN 0.805 nan 8.310 nan 0.000 0.493 345 W N 0.787 121.985 121.300 -0.170 0.000 2.321 345 W HA -0.105 4.554 4.660 -0.000 0.000 0.306 345 W C 2.748 178.953 176.519 -0.523 0.000 1.217 345 W CA 1.159 58.291 57.345 -0.356 0.000 1.257 345 W CB -0.453 28.865 29.460 -0.236 0.000 1.145 345 W HN 0.908 nan 8.180 nan 0.000 0.509 346 A N 0.259 123.081 122.820 0.003 0.000 2.076 346 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 346 A C 1.565 179.148 177.584 -0.002 0.000 1.160 346 A CA 2.024 54.086 52.037 0.041 0.000 0.653 346 A CB -1.023 18.032 19.000 0.091 0.000 0.801 346 A HN 0.538 nan 8.150 nan 0.000 0.455 347 N N -0.622 118.041 118.700 -0.062 0.000 2.106 347 N HA -0.120 4.619 4.740 -0.000 0.000 0.188 347 N C 1.626 177.123 175.510 -0.022 0.000 1.029 347 N CA 1.159 54.185 53.050 -0.040 0.000 0.848 347 N CB -0.233 38.210 38.487 -0.073 0.000 1.007 347 N HN 0.385 nan 8.380 nan 0.000 0.423 348 L N 0.652 121.808 121.223 -0.111 0.000 2.129 348 L HA -0.097 4.243 4.340 -0.000 0.000 0.212 348 L C 0.957 177.981 176.870 0.256 0.000 1.087 348 L CA 1.636 56.460 54.840 -0.026 0.000 0.757 348 L CB -0.486 41.468 42.059 -0.175 0.000 0.896 348 L HN 0.217 nan 8.230 nan 0.000 0.434 349 F N -0.833 119.245 119.950 0.213 0.000 2.732 349 F HA 0.175 4.701 4.527 -0.000 0.000 0.303 349 F C 1.002 176.850 175.800 0.079 0.000 1.110 349 F CA -0.834 57.263 58.000 0.161 0.000 1.355 349 F CB -0.109 38.972 39.000 0.134 0.000 1.081 349 F HN 0.024 nan 8.300 nan 0.000 0.565 350 E N 2.577 122.906 120.200 0.215 0.000 2.452 350 E HA -0.047 4.302 4.350 -0.000 0.000 0.261 350 E C 0.466 177.114 176.600 0.079 0.000 0.987 350 E CA -0.021 56.449 56.400 0.117 0.000 0.926 350 E CB 0.630 30.371 29.700 0.067 0.000 0.934 350 E HN 0.119 nan 8.360 nan 0.000 0.452 351 K N 2.755 123.188 120.400 0.056 0.000 2.402 351 K HA -0.102 4.218 4.320 -0.000 0.000 0.265 351 K C 0.002 176.622 176.600 0.033 0.000 0.978 351 K CA 0.132 56.442 56.287 0.039 0.000 0.913 351 K CB 0.335 32.864 32.500 0.048 0.000 0.954 351 K HN 0.550 nan 8.250 nan 0.000 0.511 352 N N -0.219 118.511 118.700 0.049 0.000 2.458 352 N HA 0.078 4.818 4.740 -0.000 0.000 0.271 352 N C -1.017 174.542 175.510 0.080 0.000 1.210 352 N CA -0.499 52.587 53.050 0.061 0.000 0.978 352 N CB 1.041 39.579 38.487 0.084 0.000 1.206 352 N HN 0.499 nan 8.380 nan 0.000 0.536 353 D N -1.303 119.137 120.400 0.066 0.000 2.892 353 D HA 0.083 4.723 4.640 -0.000 0.000 0.291 353 D C 0.225 176.616 176.300 0.152 0.000 1.341 353 D CA -0.731 53.315 54.000 0.077 0.000 0.844 353 D CB -0.517 40.236 40.800 -0.078 0.000 1.093 353 D HN 0.432 nan 8.370 nan 0.000 0.480 354 F N 0.937 120.863 119.950 -0.039 0.000 2.063 354 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 354 F C 1.093 176.782 175.800 -0.186 0.000 1.109 354 F CA 1.450 59.308 58.000 -0.235 0.000 1.212 354 F CB -0.319 38.411 39.000 -0.449 0.000 0.973 354 F HN 0.088 nan 8.300 nan 0.000 0.480 355 F N -1.217 118.585 119.950 -0.248 0.000 2.805 355 F HA -0.047 4.480 4.527 -0.000 0.000 0.301 355 F C 1.140 176.607 175.800 -0.555 0.000 1.196 355 F CA 0.132 57.723 58.000 -0.681 0.000 1.439 355 F CB -0.428 37.981 39.000 -0.986 0.000 1.117 355 F HN -0.006 nan 8.300 nan 0.000 0.581 356 F N -0.481 119.412 119.950 -0.094 0.000 2.549 356 F HA 0.114 4.641 4.527 -0.000 0.000 0.275 356 F C 2.330 178.079 175.800 -0.085 0.000 0.990 356 F CA -0.111 57.867 58.000 -0.037 0.000 1.274 356 F CB -0.742 38.252 39.000 -0.011 0.000 1.064 356 F HN -0.270 nan 8.300 nan 0.000 0.715 357 R N 0.205 120.694 120.500 -0.019 0.000 2.154 357 R HA -0.193 4.146 4.340 -0.000 0.000 0.248 357 R C -0.250 175.805 176.300 -0.409 0.000 1.155 357 R CA 1.393 57.318 56.100 -0.290 0.000 0.979 357 R CB -1.234 28.746 30.300 -0.533 0.000 0.869 357 R HN 0.260 nan 8.270 nan 0.000 0.452 358 Y N 0.250 120.498 120.300 -0.087 0.000 2.457 358 Y HA 0.318 4.868 4.550 -0.000 0.000 0.333 358 Y C 1.010 176.841 175.900 -0.115 0.000 1.119 358 Y CA -1.261 56.702 58.100 -0.229 0.000 1.143 358 Y CB 1.882 39.921 38.460 -0.701 0.000 1.230 358 Y HN -0.259 nan 8.280 nan 0.000 0.469 359 K N 1.266 121.664 120.400 -0.003 0.000 2.361 359 K HA 0.164 4.484 4.320 -0.000 0.000 0.196 359 K C -1.077 175.067 176.600 -0.759 0.000 1.039 359 K CA 0.651 56.711 56.287 -0.379 0.000 1.001 359 K CB 0.322 32.516 32.500 -0.511 0.000 0.795 359 K HN 0.366 nan 8.250 nan 0.000 0.495 360 F N -0.750 119.210 119.950 0.017 0.000 2.591 360 F HA 0.389 4.915 4.527 -0.000 0.000 0.309 360 F C -0.642 175.010 175.800 -0.247 0.000 1.098 360 F CA -1.328 56.621 58.000 -0.084 0.000 0.937 360 F CB 1.255 40.310 39.000 0.092 0.000 1.250 360 F HN -0.252 nan 8.300 nan 0.000 0.447 361 Y N 1.721 121.974 120.300 -0.079 0.000 2.605 361 Y HA 0.744 5.294 4.550 -0.000 0.000 0.343 361 Y C -1.177 174.722 175.900 -0.002 0.000 1.036 361 Y CA -1.373 56.723 58.100 -0.006 0.000 1.065 361 Y CB 2.015 40.494 38.460 0.033 0.000 1.288 361 Y HN 0.448 nan 8.280 nan 0.000 0.481 362 L N 1.998 123.343 121.223 0.204 0.000 2.372 362 L HA 0.531 4.871 4.340 -0.000 0.000 0.274 362 L C -0.957 175.911 176.870 -0.003 0.000 0.988 362 L CA -0.884 54.037 54.840 0.136 0.000 0.833 362 L CB 1.334 43.477 42.059 0.140 0.000 1.236 362 L HN 0.652 nan 8.230 nan 0.000 0.410 363 E N 5.947 126.094 120.200 -0.087 0.000 2.259 363 E HA 0.460 4.810 4.350 -0.000 0.000 0.281 363 E C -0.905 175.587 176.600 -0.179 0.000 1.027 363 E CA -0.241 55.985 56.400 -0.290 0.000 0.838 363 E CB 1.764 31.293 29.700 -0.286 0.000 1.066 363 E HN 0.541 nan 8.360 nan 0.000 0.401 364 I N 2.467 122.902 120.570 -0.225 0.000 2.382 364 I HA 0.247 4.417 4.170 -0.000 0.000 0.286 364 I C -0.467 175.582 176.117 -0.113 0.000 1.002 364 I CA -0.430 60.778 61.300 -0.153 0.000 1.135 364 I CB 1.793 39.666 38.000 -0.211 0.000 1.288 364 I HN 0.337 nan 8.210 nan 0.000 0.448 365 T N 4.922 119.441 114.554 -0.058 0.000 2.879 365 T HA 0.650 5.000 4.350 -0.000 0.000 0.290 365 T C -0.410 174.188 174.700 -0.170 0.000 0.993 365 T CA -0.590 61.418 62.100 -0.153 0.000 0.975 365 T CB 1.814 70.559 68.868 -0.205 0.000 0.981 365 T HN 0.613 nan 8.240 nan 0.000 0.439 366 A N 3.303 125.981 122.820 -0.238 0.000 2.258 366 A HA 0.743 5.063 4.320 -0.000 0.000 0.316 366 A C -1.281 176.345 177.584 0.070 0.000 1.279 366 A CA -0.588 51.362 52.037 -0.146 0.000 0.876 366 A CB 0.201 18.847 19.000 -0.589 0.000 1.170 366 A HN 0.797 nan 8.150 nan 0.000 0.520 367 Y N 0.921 121.496 120.300 0.458 0.000 2.360 367 Y HA 0.573 5.123 4.550 -0.000 0.000 0.337 367 Y C 0.633 176.981 175.900 0.747 0.000 1.039 367 Y CA -0.322 58.098 58.100 0.533 0.000 1.109 367 Y CB 2.260 40.992 38.460 0.453 0.000 1.201 367 Y HN 0.529 nan 8.280 nan 0.000 0.458 368 T N 2.720 117.777 114.554 0.839 0.000 2.840 368 T HA 0.595 4.945 4.350 -0.000 0.000 0.287 368 T C -0.001 174.904 174.700 0.341 0.000 0.991 368 T CA -0.877 61.657 62.100 0.723 0.000 0.964 368 T CB 0.761 70.189 68.868 0.933 0.000 0.954 368 T HN 0.716 nan 8.240 nan 0.000 0.438 369 R N 1.756 122.236 120.500 -0.032 0.000 2.565 369 R HA 0.785 5.125 4.340 -0.000 0.000 0.286 369 R C 0.689 176.900 176.300 -0.148 0.000 1.256 369 R CA -0.024 55.873 56.100 -0.339 0.000 1.238 369 R CB 0.025 29.822 30.300 -0.839 0.000 1.153 369 R HN 1.074 nan 8.270 nan 0.000 0.553 370 G N -0.330 108.506 108.800 0.061 0.000 2.623 370 G HA2 0.370 4.330 3.960 -0.000 0.000 0.085 370 G HA3 0.370 4.330 3.960 -0.000 0.000 0.085 370 G C -0.218 174.837 174.900 0.259 0.000 1.116 370 G CA 0.350 45.506 45.100 0.094 0.000 1.200 370 G HN 1.256 nan 8.290 nan 0.000 0.556 371 S N -0.005 115.822 115.700 0.211 0.000 2.745 371 S HA 0.587 5.056 4.470 -0.000 0.000 0.292 371 S C 0.447 175.047 174.600 -0.001 0.000 1.133 371 S CA 0.523 58.830 58.200 0.178 0.000 0.998 371 S CB 1.950 65.214 63.200 0.107 0.000 1.087 371 S HN 0.381 nan 8.310 nan 0.000 0.551 372 D N 1.281 121.634 120.400 -0.078 0.000 2.078 372 D HA 0.028 4.668 4.640 -0.000 0.000 0.193 372 D C 2.427 178.671 176.300 -0.093 0.000 0.990 372 D CA 2.020 55.867 54.000 -0.256 0.000 0.827 372 D CB -0.805 39.944 40.800 -0.084 0.000 0.975 372 D HN 0.834 nan 8.370 nan 0.000 0.451 373 E N 0.861 121.058 120.200 -0.005 0.000 2.118 373 E HA -0.295 4.055 4.350 -0.000 0.000 0.195 373 E C 1.905 178.548 176.600 0.073 0.000 0.992 373 E CA 1.664 58.082 56.400 0.030 0.000 0.804 373 E CB -1.046 28.678 29.700 0.040 0.000 0.741 373 E HN 0.446 nan 8.360 nan 0.000 0.458 374 Q N -1.337 118.532 119.800 0.116 0.000 2.230 374 Q HA -0.171 4.168 4.340 -0.000 0.000 0.202 374 Q C 2.216 178.408 176.000 0.320 0.000 0.963 374 Q CA 1.341 57.291 55.803 0.243 0.000 0.866 374 Q CB -0.105 28.798 28.738 0.274 0.000 0.931 374 Q HN 0.862 nan 8.270 nan 0.000 0.452 375 H N -0.539 118.576 119.070 0.074 0.000 2.465 375 H HA -0.018 4.538 4.556 -0.000 0.000 0.289 375 H C 1.811 177.151 175.328 0.019 0.000 1.022 375 H CA 0.440 56.532 56.048 0.074 0.000 1.340 375 H CB 0.412 30.023 29.762 -0.252 0.000 1.437 375 H HN 0.247 nan 8.280 nan 0.000 0.539 376 L N 1.829 123.010 121.223 -0.071 0.000 2.131 376 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 376 L C 2.915 179.717 176.870 -0.113 0.000 1.092 376 L CA 2.174 56.949 54.840 -0.109 0.000 0.759 376 L CB -0.562 41.481 42.059 -0.027 0.000 0.903 376 L HN 0.347 nan 8.230 nan 0.000 0.435 377 K N -1.241 119.139 120.400 -0.034 0.000 2.044 377 K HA -0.217 4.103 4.320 -0.000 0.000 0.204 377 K C 2.031 178.600 176.600 -0.052 0.000 1.049 377 K CA 1.412 57.702 56.287 0.006 0.000 0.945 377 K CB -1.704 30.860 32.500 0.108 0.000 0.724 377 K HN 0.615 nan 8.250 nan 0.000 0.440 378 W N 1.721 122.781 121.300 -0.400 0.000 2.378 378 W HA -0.294 4.366 4.660 -0.000 0.000 0.313 378 W C 2.393 178.590 176.519 -0.537 0.000 1.197 378 W CA 2.317 59.246 57.345 -0.693 0.000 1.304 378 W CB 0.073 29.135 29.460 -0.663 0.000 1.148 378 W HN 0.455 nan 8.180 nan 0.000 0.494 379 S N 0.359 115.702 115.700 -0.595 0.000 2.368 379 S HA -0.105 4.364 4.470 -0.000 0.000 0.224 379 S C 1.995 176.345 174.600 -0.417 0.000 1.029 379 S CA 1.390 59.208 58.200 -0.636 0.000 0.988 379 S CB -1.408 61.375 63.200 -0.695 0.000 0.838 379 S HN 0.313 nan 8.310 nan 0.000 0.462 380 G N 1.847 110.458 108.800 -0.314 0.000 2.422 380 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.218 380 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.218 380 G C 1.403 176.156 174.900 -0.244 0.000 1.146 380 G CA 0.830 45.802 45.100 -0.214 0.000 0.769 380 G HN 0.517 nan 8.290 nan 0.000 0.547 381 L N 0.473 121.500 121.223 -0.326 0.000 2.201 381 L HA 0.021 4.360 4.340 -0.000 0.000 0.212 381 L C 2.564 179.172 176.870 -0.436 0.000 1.105 381 L CA 0.690 55.289 54.840 -0.400 0.000 0.775 381 L CB 0.066 41.802 42.059 -0.538 0.000 0.913 381 L HN 0.123 nan 8.230 nan 0.000 0.440 382 V N 0.432 120.048 119.914 -0.497 0.000 2.500 382 V HA -0.157 3.963 4.120 -0.000 0.000 0.243 382 V C 2.304 178.343 176.094 -0.092 0.000 1.039 382 V CA 1.482 63.553 62.300 -0.381 0.000 1.053 382 V CB -0.421 31.059 31.823 -0.571 0.000 0.695 382 V HN 0.591 nan 8.190 nan 0.000 0.463 383 E N 1.817 121.965 120.200 -0.086 0.000 2.401 383 E HA -0.175 4.175 4.350 -0.000 0.000 0.199 383 E C 2.017 178.658 176.600 0.068 0.000 1.023 383 E CA 1.366 57.825 56.400 0.098 0.000 0.859 383 E CB -0.307 29.463 29.700 0.116 0.000 0.780 383 E HN 0.686 nan 8.360 nan 0.000 0.523 384 S N 1.539 117.209 115.700 -0.050 0.000 2.317 384 S HA -0.097 4.373 4.470 -0.000 0.000 0.212 384 S C 2.393 177.006 174.600 0.021 0.000 1.030 384 S CA 1.087 59.243 58.200 -0.073 0.000 0.970 384 S CB -0.724 62.412 63.200 -0.107 0.000 0.928 384 S HN 0.349 nan 8.310 nan 0.000 0.451 385 K N 1.306 121.727 120.400 0.036 0.000 2.520 385 K HA 0.162 4.481 4.320 -0.000 0.000 0.197 385 K C 2.081 178.860 176.600 0.297 0.000 1.043 385 K CA 1.250 57.608 56.287 0.118 0.000 0.944 385 K CB -1.683 30.820 32.500 0.005 0.000 0.770 385 K HN 0.427 nan 8.250 nan 0.000 0.480 386 V N 0.968 121.063 119.914 0.301 0.000 2.453 386 V HA -0.305 3.815 4.120 -0.000 0.000 0.252 386 V C 2.597 178.792 176.094 0.169 0.000 1.068 386 V CA 2.145 64.591 62.300 0.244 0.000 1.070 386 V CB -0.534 31.447 31.823 0.262 0.000 0.664 386 V HN 0.700 nan 8.190 nan 0.000 0.461 387 R N -0.405 120.196 120.500 0.168 0.000 2.083 387 R HA -0.173 4.167 4.340 -0.000 0.000 0.237 387 R C 2.249 178.583 176.300 0.057 0.000 1.137 387 R CA 1.647 57.798 56.100 0.084 0.000 0.951 387 R CB -0.388 29.933 30.300 0.034 0.000 0.851 387 R HN 0.361 nan 8.270 nan 0.000 0.434 388 L N 0.927 122.208 121.223 0.097 0.000 2.013 388 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 388 L C 2.419 179.352 176.870 0.106 0.000 1.073 388 L CA 1.374 56.274 54.840 0.100 0.000 0.753 388 L CB -1.104 41.036 42.059 0.135 0.000 0.890 388 L HN 0.251 nan 8.230 nan 0.000 0.432 389 L N -1.022 120.288 121.223 0.146 0.000 2.046 389 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 389 L C 2.451 179.314 176.870 -0.013 0.000 1.077 389 L CA 1.460 56.337 54.840 0.062 0.000 0.747 389 L CB -0.643 41.351 42.059 -0.108 0.000 0.896 389 L HN 0.045 nan 8.230 nan 0.000 0.432 390 V N -0.138 119.763 119.914 -0.022 0.000 2.324 390 V HA -0.397 3.723 4.120 -0.000 0.000 0.250 390 V C 2.637 178.702 176.094 -0.048 0.000 1.060 390 V CA 2.437 64.709 62.300 -0.046 0.000 1.042 390 V CB -0.692 31.103 31.823 -0.046 0.000 0.650 390 V HN 0.486 nan 8.190 nan 0.000 0.450 391 M N -0.836 118.746 119.600 -0.031 0.000 2.117 391 M HA -0.193 4.286 4.480 -0.000 0.000 0.262 391 M C 2.250 178.537 176.300 -0.022 0.000 1.065 391 M CA 1.891 57.172 55.300 -0.031 0.000 1.114 391 M CB -0.465 32.123 32.600 -0.020 0.000 1.361 391 M HN 0.299 nan 8.290 nan 0.000 0.408 392 K N 0.259 120.655 120.400 -0.007 0.000 1.967 392 K HA -0.130 4.190 4.320 -0.000 0.000 0.212 392 K C 1.860 178.443 176.600 -0.028 0.000 1.044 392 K CA 1.068 57.352 56.287 -0.005 0.000 0.942 392 K CB -0.511 31.998 32.500 0.014 0.000 0.726 392 K HN 0.052 nan 8.250 nan 0.000 0.440 393 L N 2.173 123.371 121.223 -0.042 0.000 2.011 393 L HA -0.299 4.040 4.340 -0.000 0.000 0.225 393 L C 2.485 179.305 176.870 -0.085 0.000 1.084 393 L CA 2.134 56.931 54.840 -0.071 0.000 0.791 393 L CB -1.196 40.807 42.059 -0.093 0.000 0.898 393 L HN 0.416 nan 8.230 nan 0.000 0.440 394 E N -1.596 118.555 120.200 -0.081 0.000 2.265 394 E HA -0.185 4.165 4.350 -0.000 0.000 0.196 394 E C 2.083 178.646 176.600 -0.062 0.000 0.996 394 E CA 1.437 57.787 56.400 -0.084 0.000 0.832 394 E CB -0.499 29.153 29.700 -0.080 0.000 0.756 394 E HN 0.344 nan 8.360 nan 0.000 0.491 395 V N 1.019 120.906 119.914 -0.045 0.000 3.307 395 V HA 0.110 4.230 4.120 -0.000 0.000 0.253 395 V C 0.736 176.816 176.094 -0.022 0.000 1.149 395 V CA 0.108 62.391 62.300 -0.029 0.000 1.112 395 V CB -0.095 31.716 31.823 -0.019 0.000 0.777 395 V HN 0.343 nan 8.190 nan 0.000 0.464 396 L N -0.535 120.672 121.223 -0.026 0.000 2.479 396 L HA 0.836 5.176 4.340 -0.000 0.000 0.248 396 L C 1.188 178.050 176.870 -0.014 0.000 1.205 396 L CA 0.269 55.099 54.840 -0.017 0.000 0.817 396 L CB -0.850 41.200 42.059 -0.015 0.000 1.162 396 L HN 0.326 nan 8.230 nan 0.000 0.486 397 A N 0.971 123.790 122.820 -0.001 0.000 5.382 397 A HA -0.175 4.145 4.320 -0.000 0.000 0.387 397 A C 1.272 178.865 177.584 0.015 0.000 1.596 397 A CA 2.129 54.173 52.037 0.011 0.000 0.902 397 A CB -2.158 16.855 19.000 0.022 0.000 1.510 397 A HN 1.964 nan 8.150 nan 0.000 0.460 398 G N -2.019 106.803 108.800 0.036 0.000 4.098 398 G HA2 0.495 4.454 3.960 -0.000 0.000 0.300 398 G HA3 0.495 4.454 3.960 -0.000 0.000 0.300 398 G C -0.274 174.645 174.900 0.031 0.000 1.187 398 G CA 0.128 45.255 45.100 0.045 0.000 0.964 398 G HN 0.495 nan 8.290 nan 0.000 0.559 399 I N 1.029 121.574 120.570 -0.041 0.000 2.421 399 I HA 0.138 4.308 4.170 -0.000 0.000 0.291 399 I C 1.547 177.594 176.117 -0.116 0.000 1.089 399 I CA -0.150 61.052 61.300 -0.163 0.000 1.354 399 I CB 1.406 39.280 38.000 -0.211 0.000 1.413 399 I HN 0.134 nan 8.210 nan 0.000 0.513 400 K N 6.297 126.634 120.400 -0.105 0.000 2.211 400 K HA 0.116 4.436 4.320 -0.000 0.000 0.203 400 K C 0.453 177.012 176.600 -0.069 0.000 1.050 400 K CA 1.039 57.298 56.287 -0.046 0.000 0.945 400 K CB 0.402 32.904 32.500 0.004 0.000 0.732 400 K HN 0.640 nan 8.250 nan 0.000 0.451 401 I N -2.272 118.212 120.570 -0.144 0.000 2.721 401 I HA 0.179 4.349 4.170 -0.000 0.000 0.292 401 I C -2.183 173.800 176.117 -0.224 0.000 1.674 401 I CA -0.589 60.627 61.300 -0.140 0.000 0.993 401 I CB 1.833 39.791 38.000 -0.071 0.000 1.448 401 I HN -0.130 nan 8.210 nan 0.000 0.500 402 A N 5.113 127.836 122.820 -0.162 0.000 3.204 402 A HA 0.320 4.640 4.320 -0.000 0.000 0.327 402 A C -0.594 176.966 177.584 -0.039 0.000 0.998 402 A CA -0.291 51.653 52.037 -0.156 0.000 0.891 402 A CB -0.411 18.507 19.000 -0.137 0.000 1.061 402 A HN 0.834 nan 8.150 nan 0.000 0.478 403 H N 2.047 121.034 119.070 -0.140 0.000 3.091 403 H HA 0.219 4.775 4.556 -0.000 0.000 0.289 403 H C -2.634 172.767 175.328 0.122 0.000 0.995 403 H CA -1.187 54.891 56.048 0.049 0.000 1.461 403 H CB 0.634 30.508 29.762 0.187 0.000 1.510 403 H HN 0.256 nan 8.280 nan 0.000 0.546 404 P HA 0.058 nan 4.420 nan 0.000 0.290 404 P C -1.068 176.306 177.300 0.124 0.000 1.276 404 P CA -0.405 62.820 63.100 0.209 0.000 0.808 404 P CB 0.569 32.339 31.700 0.116 0.000 0.966 405 F N 2.630 122.324 119.950 -0.426 0.000 2.399 405 F HA 0.177 4.704 4.527 -0.000 0.000 0.342 405 F C 1.633 177.113 175.800 -0.533 0.000 1.106 405 F CA 0.090 57.612 58.000 -0.796 0.000 1.196 405 F CB 0.835 39.254 39.000 -0.968 0.000 1.163 405 F HN 0.313 nan 8.300 nan 0.000 0.547 406 T N 0.615 114.423 114.554 -1.243 0.000 3.118 406 T HA 0.250 4.600 4.350 -0.000 0.000 0.260 406 T C 0.356 174.854 174.700 -0.337 0.000 1.139 406 T CA 0.920 62.641 62.100 -0.632 0.000 1.085 406 T CB -0.744 67.751 68.868 -0.622 0.000 0.934 406 T HN 0.664 nan 8.240 nan 0.000 0.518 407 K N 1.587 121.678 120.400 -0.515 0.000 2.435 407 K HA 0.799 5.119 4.320 -0.000 0.000 0.251 407 K C -3.476 173.302 176.600 0.297 0.000 0.954 407 K CA -2.302 53.998 56.287 0.022 0.000 0.820 407 K CB 1.193 33.670 32.500 -0.039 0.000 1.292 407 K HN 0.178 nan 8.250 nan 0.000 0.436 408 P HA 0.601 nan 4.420 nan 0.000 0.299 408 P C -1.343 176.071 177.300 0.190 0.000 1.323 408 P CA -0.616 62.678 63.100 0.325 0.000 0.896 408 P CB 0.787 32.649 31.700 0.270 0.000 1.081 409 F N 1.246 121.358 119.950 0.269 0.000 2.385 409 F HA 0.357 4.883 4.527 -0.000 0.000 0.360 409 F C 1.081 176.972 175.800 0.152 0.000 1.122 409 F CA -0.134 57.996 58.000 0.217 0.000 1.090 409 F CB 1.149 40.310 39.000 0.269 0.000 1.150 409 F HN 0.160 nan 8.300 nan 0.000 0.472 410 E N 1.687 121.997 120.200 0.184 0.000 2.207 410 E HA 0.758 5.107 4.350 -0.000 0.000 0.270 410 E C -0.953 175.675 176.600 0.047 0.000 0.927 410 E CA -0.883 55.585 56.400 0.113 0.000 0.799 410 E CB 2.172 31.933 29.700 0.101 0.000 1.172 410 E HN 0.552 nan 8.360 nan 0.000 0.404 411 S N 0.217 115.892 115.700 -0.041 0.000 2.552 411 S HA 0.612 5.082 4.470 -0.000 0.000 0.272 411 S C -0.923 173.488 174.600 -0.315 0.000 1.150 411 S CA -1.072 57.022 58.200 -0.176 0.000 0.849 411 S CB 1.421 64.505 63.200 -0.194 0.000 1.113 411 S HN 0.497 nan 8.310 nan 0.000 0.458 412 S N 0.591 116.014 115.700 -0.461 0.000 2.599 412 S HA 0.887 5.357 4.470 -0.000 0.000 0.287 412 S C -1.553 172.650 174.600 -0.662 0.000 1.105 412 S CA -0.781 57.098 58.200 -0.536 0.000 0.899 412 S CB 0.949 63.846 63.200 -0.504 0.000 1.100 412 S HN 0.815 nan 8.310 nan 0.000 0.482 413 Y N -1.297 118.881 120.300 -0.204 0.000 2.609 413 Y HA 0.503 5.053 4.550 -0.000 0.000 0.342 413 Y C -0.399 175.415 175.900 -0.143 0.000 1.058 413 Y CA -1.274 56.755 58.100 -0.118 0.000 1.055 413 Y CB 1.729 40.160 38.460 -0.049 0.000 1.292 413 Y HN 0.838 nan 8.280 nan 0.000 0.476 414 C N 1.572 120.937 119.300 0.107 0.000 2.349 414 C HA 0.296 4.756 4.460 -0.000 0.000 0.348 414 C C 0.318 175.324 174.990 0.027 0.000 1.223 414 C CA -0.796 58.235 59.018 0.022 0.000 1.746 414 C CB -1.047 26.707 27.740 0.023 0.000 2.360 414 C HN 0.753 nan 8.230 nan 0.000 0.533 415 C N 7.583 126.881 119.300 -0.004 0.000 2.146 415 C HA 0.299 4.759 4.460 -0.000 0.000 0.338 415 C C -0.614 174.370 174.990 -0.009 0.000 1.074 415 C CA -1.329 57.690 59.018 0.003 0.000 1.527 415 C CB -0.980 26.753 27.740 -0.011 0.000 1.915 415 C HN 0.800 nan 8.230 nan 0.000 0.453 416 P HA 0.005 nan 4.420 nan 0.000 0.208 416 P C 0.723 178.023 177.300 -0.001 0.000 1.180 416 P CA 2.095 65.194 63.100 -0.002 0.000 0.935 416 P CB 0.142 31.842 31.700 0.001 0.000 0.785 417 T N -1.981 112.579 114.554 0.010 0.000 2.949 417 T HA 0.288 4.638 4.350 -0.000 0.000 0.287 417 T C 0.850 175.575 174.700 0.041 0.000 1.034 417 T CA -0.599 61.510 62.100 0.016 0.000 1.018 417 T CB 0.793 69.670 68.868 0.015 0.000 1.135 417 T HN 0.127 nan 8.240 nan 0.000 0.532 418 E N -0.282 119.949 120.200 0.051 0.000 2.472 418 E HA 0.075 4.425 4.350 -0.000 0.000 0.200 418 E C 1.406 178.072 176.600 0.109 0.000 1.046 418 E CA 1.169 57.634 56.400 0.109 0.000 0.871 418 E CB -0.668 29.090 29.700 0.098 0.000 0.806 418 E HN 0.734 nan 8.360 nan 0.000 0.533 419 D N 2.574 123.011 120.400 0.061 0.000 2.097 419 D HA -0.184 4.456 4.640 -0.000 0.000 0.197 419 D C 1.725 178.047 176.300 0.037 0.000 0.984 419 D CA 1.336 55.358 54.000 0.036 0.000 0.826 419 D CB -0.611 40.201 40.800 0.019 0.000 0.973 419 D HN 0.172 nan 8.370 nan 0.000 0.460 420 D N -1.005 119.424 120.400 0.048 0.000 2.123 420 D HA -0.134 4.506 4.640 -0.000 0.000 0.196 420 D C 1.920 178.272 176.300 0.087 0.000 0.992 420 D CA 1.260 55.285 54.000 0.041 0.000 0.833 420 D CB -0.543 40.277 40.800 0.033 0.000 0.954 420 D HN 0.522 nan 8.370 nan 0.000 0.455 421 Y N 2.062 122.347 120.300 -0.025 0.000 2.114 421 Y HA -0.256 4.293 4.550 -0.000 0.000 0.282 421 Y C 2.257 178.124 175.900 -0.054 0.000 1.165 421 Y CA 1.756 59.842 58.100 -0.024 0.000 1.148 421 Y CB -0.452 38.002 38.460 -0.010 0.000 0.972 421 Y HN -0.129 nan 8.280 nan 0.000 0.504 422 E N -0.475 119.654 120.200 -0.119 0.000 2.265 422 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 422 E C 2.197 178.693 176.600 -0.174 0.000 0.996 422 E CA 1.328 57.593 56.400 -0.226 0.000 0.832 422 E CB -0.400 29.237 29.700 -0.106 0.000 0.756 422 E HN 0.474 nan 8.360 nan 0.000 0.491 423 M N -0.053 119.490 119.600 -0.095 0.000 2.193 423 M HA -0.022 4.458 4.480 -0.000 0.000 0.265 423 M C 1.860 178.126 176.300 -0.057 0.000 1.071 423 M CA 1.207 56.468 55.300 -0.064 0.000 1.140 423 M CB -0.345 32.232 32.600 -0.038 0.000 1.369 423 M HN 0.198 nan 8.290 nan 0.000 0.423 424 I N 0.406 120.948 120.570 -0.047 0.000 2.248 424 I HA -0.360 3.810 4.170 -0.000 0.000 0.248 424 I C 2.296 178.420 176.117 0.012 0.000 1.107 424 I CA 1.370 62.685 61.300 0.026 0.000 1.373 424 I CB -0.686 37.386 38.000 0.120 0.000 1.055 424 I HN 0.418 nan 8.210 nan 0.000 0.418 425 Q N 0.675 120.320 119.800 -0.258 0.000 2.119 425 Q HA -0.210 4.129 4.340 -0.000 0.000 0.201 425 Q C 1.736 177.671 176.000 -0.109 0.000 0.972 425 Q CA 1.739 57.279 55.803 -0.439 0.000 0.847 425 Q CB -0.148 28.187 28.738 -0.671 0.000 0.903 425 Q HN 0.684 nan 8.270 nan 0.000 0.433 426 D N -0.675 119.683 120.400 -0.069 0.000 2.346 426 D HA -0.068 4.571 4.640 -0.000 0.000 0.206 426 D C 1.292 177.612 176.300 0.034 0.000 1.001 426 D CA 0.457 54.452 54.000 -0.009 0.000 0.871 426 D CB 0.186 40.967 40.800 -0.032 0.000 0.943 426 D HN -0.032 nan 8.370 nan 0.000 0.518 427 K N -0.207 120.227 120.400 0.056 0.000 2.361 427 K HA 0.045 4.365 4.320 -0.000 0.000 0.194 427 K C 0.011 176.689 176.600 0.130 0.000 1.032 427 K CA -0.269 56.057 56.287 0.065 0.000 1.048 427 K CB 0.059 32.579 32.500 0.033 0.000 0.842 427 K HN 0.263 nan 8.250 nan 0.000 0.526 428 Y N 0.258 120.615 120.300 0.094 0.000 2.308 428 Y HA 0.403 4.953 4.550 -0.000 0.000 0.329 428 Y C 1.158 177.145 175.900 0.145 0.000 1.111 428 Y CA 0.892 59.087 58.100 0.158 0.000 1.179 428 Y CB 1.151 39.781 38.460 0.283 0.000 1.201 428 Y HN 0.294 nan 8.280 nan 0.000 0.483 429 G N 2.687 111.079 108.800 -0.681 0.000 3.330 429 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.197 429 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.197 429 G C -0.226 174.519 174.900 -0.259 0.000 1.284 429 G CA -0.045 44.782 45.100 -0.455 0.000 0.921 429 G HN 1.132 nan 8.290 nan 0.000 0.466 430 S N -0.555 115.064 115.700 -0.135 0.000 2.664 430 S HA 0.643 5.113 4.470 -0.000 0.000 0.304 430 S C 0.572 175.171 174.600 -0.001 0.000 1.099 430 S CA 0.488 58.651 58.200 -0.062 0.000 1.003 430 S CB 2.091 65.276 63.200 -0.024 0.000 1.092 430 S HN 0.537 nan 8.310 nan 0.000 0.525 431 H N 1.251 120.276 119.070 -0.076 0.000 2.470 431 H HA 0.135 4.691 4.556 -0.000 0.000 0.289 431 H C 2.170 177.481 175.328 -0.029 0.000 1.033 431 H CA 2.119 58.135 56.048 -0.053 0.000 1.331 431 H CB -0.618 29.115 29.762 -0.049 0.000 1.414 431 H HN 0.779 nan 8.280 nan 0.000 0.545 432 K N -0.285 120.084 120.400 -0.051 0.000 2.009 432 K HA -0.129 4.191 4.320 -0.000 0.000 0.210 432 K C 2.386 178.923 176.600 -0.104 0.000 1.049 432 K CA 2.177 58.407 56.287 -0.095 0.000 0.929 432 K CB -1.605 30.881 32.500 -0.022 0.000 0.714 432 K HN 0.664 nan 8.250 nan 0.000 0.440 433 T N -1.972 112.547 114.554 -0.058 0.000 3.044 433 T HA 0.026 4.376 4.350 -0.000 0.000 0.255 433 T C 1.841 176.523 174.700 -0.030 0.000 1.073 433 T CA 1.057 63.133 62.100 -0.040 0.000 1.125 433 T CB 0.199 69.060 68.868 -0.012 0.000 0.908 433 T HN 0.629 nan 8.240 nan 0.000 0.480 434 E N 1.939 122.125 120.200 -0.024 0.000 2.172 434 E HA -0.336 4.014 4.350 -0.000 0.000 0.213 434 E C 1.955 178.573 176.600 0.031 0.000 1.051 434 E CA 2.486 58.902 56.400 0.027 0.000 0.860 434 E CB -0.760 28.979 29.700 0.065 0.000 0.755 434 E HN 0.770 nan 8.360 nan 0.000 0.462 435 T N -1.407 113.130 114.554 -0.028 0.000 3.025 435 T HA 0.016 4.366 4.350 -0.000 0.000 0.270 435 T C 1.827 176.513 174.700 -0.023 0.000 1.126 435 T CA 0.939 63.026 62.100 -0.022 0.000 1.105 435 T CB -0.305 68.526 68.868 -0.063 0.000 0.884 435 T HN 0.358 nan 8.240 nan 0.000 0.522 436 A N 1.521 124.325 122.820 -0.026 0.000 1.972 436 A HA 0.105 4.425 4.320 -0.000 0.000 0.219 436 A C 2.152 179.702 177.584 -0.057 0.000 1.169 436 A CA 1.047 53.063 52.037 -0.035 0.000 0.635 436 A CB -0.740 18.244 19.000 -0.027 0.000 0.810 436 A HN 0.445 nan 8.150 nan 0.000 0.446 437 L N 0.525 121.712 121.223 -0.060 0.000 2.201 437 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 437 L C 2.022 178.764 176.870 -0.213 0.000 1.105 437 L CA 1.129 55.857 54.840 -0.186 0.000 0.775 437 L CB -0.891 41.071 42.059 -0.161 0.000 0.913 437 L HN 0.380 nan 8.230 nan 0.000 0.440 438 N N -0.070 118.588 118.700 -0.070 0.000 2.242 438 N HA -0.260 4.480 4.740 -0.000 0.000 0.191 438 N C 1.769 177.251 175.510 -0.047 0.000 1.005 438 N CA 1.379 54.416 53.050 -0.022 0.000 0.877 438 N CB 0.002 38.494 38.487 0.008 0.000 0.983 438 N HN 0.449 nan 8.380 nan 0.000 0.439 439 A N 1.517 124.291 122.820 -0.077 0.000 1.834 439 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 439 A C 0.843 178.384 177.584 -0.072 0.000 1.203 439 A CA 0.779 52.777 52.037 -0.064 0.000 0.621 439 A CB -0.749 18.212 19.000 -0.065 0.000 0.841 439 A HN 0.148 nan 8.150 nan 0.000 0.446 440 L N -0.196 120.945 121.223 -0.137 0.000 2.506 440 L HA 0.309 4.649 4.340 -0.000 0.000 0.281 440 L C 1.149 178.002 176.870 -0.028 0.000 1.228 440 L CA 0.653 55.425 54.840 -0.113 0.000 0.850 440 L CB -0.584 41.350 42.059 -0.208 0.000 1.110 440 L HN 0.453 nan 8.230 nan 0.000 0.496 441 K N 3.565 123.996 120.400 0.050 0.000 2.395 441 K HA 0.208 4.528 4.320 -0.000 0.000 0.283 441 K C -0.191 176.559 176.600 0.250 0.000 1.068 441 K CA -0.338 56.013 56.287 0.108 0.000 1.039 441 K CB -0.699 31.840 32.500 0.065 0.000 0.924 441 K HN 0.569 nan 8.250 nan 0.000 0.468 442 L N 4.130 125.528 121.223 0.292 0.000 2.515 442 L HA 0.168 4.508 4.340 -0.000 0.000 0.281 442 L C 0.036 176.946 176.870 0.067 0.000 1.131 442 L CA -0.135 54.887 54.840 0.303 0.000 0.905 442 L CB 0.304 42.519 42.059 0.260 0.000 1.246 442 L HN 0.440 nan 8.230 nan 0.000 0.463 443 V N 5.877 125.779 119.914 -0.021 0.000 2.450 443 V HA -0.009 4.111 4.120 -0.000 0.000 0.264 443 V C 1.281 177.342 176.094 -0.056 0.000 0.996 443 V CA 0.666 62.934 62.300 -0.052 0.000 1.138 443 V CB -1.138 30.618 31.823 -0.112 0.000 1.051 443 V HN 0.979 nan 8.190 nan 0.000 0.470 458 K N 0.247 120.591 120.400 -0.094 0.000 2.378 458 K HA 1.060 5.379 4.320 -0.000 0.000 0.244 458 K C -0.966 175.460 176.600 -0.290 0.000 1.039 458 K CA -0.259 55.895 56.287 -0.221 0.000 0.863 458 K CB 1.956 34.244 32.500 -0.353 0.000 1.326 458 K HN 0.873 nan 8.250 nan 0.000 0.460 459 A N 0.129 122.687 122.820 -0.437 0.000 2.515 459 A HA 0.818 5.138 4.320 -0.000 0.000 0.298 459 A C -1.787 175.519 177.584 -0.463 0.000 1.059 459 A CA -0.610 51.267 52.037 -0.267 0.000 0.698 459 A CB 0.925 19.901 19.000 -0.041 0.000 1.289 459 A HN 0.790 nan 8.150 nan 0.000 0.404 460 Y N 0.095 120.366 120.300 -0.048 0.000 2.524 460 Y HA 0.755 5.305 4.550 -0.000 0.000 0.344 460 Y C -0.570 175.251 175.900 -0.132 0.000 1.012 460 Y CA -1.264 56.664 58.100 -0.287 0.000 1.068 460 Y CB 1.703 39.580 38.460 -0.971 0.000 1.249 460 Y HN 0.460 nan 8.280 nan 0.000 0.468 461 L N 1.455 122.650 121.223 -0.047 0.000 2.385 461 L HA 0.666 5.005 4.340 -0.000 0.000 0.273 461 L C -0.548 176.319 176.870 -0.004 0.000 0.990 461 L CA -0.358 54.404 54.840 -0.131 0.000 0.821 461 L CB 2.218 44.025 42.059 -0.420 0.000 1.279 461 L HN 0.542 nan 8.230 nan 0.000 0.412 462 S N 0.754 116.471 115.700 0.027 0.000 2.647 462 S HA 0.779 5.248 4.470 -0.000 0.000 0.300 462 S C -0.698 173.917 174.600 0.024 0.000 1.129 462 S CA -0.563 57.691 58.200 0.090 0.000 1.029 462 S CB 1.631 64.898 63.200 0.112 0.000 1.007 462 S HN 0.584 nan 8.310 nan 0.000 0.484 463 T N 3.849 118.483 114.554 0.135 0.000 2.848 463 T HA 0.559 4.909 4.350 -0.000 0.000 0.285 463 T C -0.723 174.073 174.700 0.160 0.000 0.995 463 T CA -0.579 61.568 62.100 0.078 0.000 0.970 463 T CB 1.115 70.031 68.868 0.080 0.000 0.976 463 T HN 0.340 nan 8.240 nan 0.000 0.441 464 M N 2.814 122.409 119.600 -0.009 0.000 2.436 464 M HA 0.535 5.014 4.480 -0.000 0.000 0.331 464 M C -1.394 174.855 176.300 -0.085 0.000 1.135 464 M CA -0.597 54.740 55.300 0.061 0.000 0.987 464 M CB 1.209 33.793 32.600 -0.027 0.000 1.687 464 M HN 0.505 nan 8.290 nan 0.000 0.445 465 Y N 3.058 123.464 120.300 0.177 0.000 2.352 465 Y HA 0.639 5.188 4.550 -0.000 0.000 0.339 465 Y C -0.368 175.679 175.900 0.246 0.000 0.992 465 Y CA -0.626 57.627 58.100 0.256 0.000 1.100 465 Y CB 1.032 39.780 38.460 0.481 0.000 1.192 465 Y HN 0.499 nan 8.280 nan 0.000 0.458 466 I N 3.450 124.196 120.570 0.294 0.000 2.359 466 I HA 0.361 4.530 4.170 -0.000 0.000 0.284 466 I C 0.715 176.904 176.117 0.120 0.000 1.018 466 I CA -0.683 60.729 61.300 0.187 0.000 1.173 466 I CB 1.131 39.147 38.000 0.026 0.000 1.326 466 I HN 0.802 nan 8.210 nan 0.000 0.462 467 G N 7.136 115.998 108.800 0.103 0.000 2.441 467 G HA2 0.477 4.437 3.960 -0.000 0.000 0.243 467 G HA3 0.477 4.437 3.960 -0.000 0.000 0.243 467 G C -0.616 173.890 174.900 -0.658 0.000 1.281 467 G CA -0.208 44.547 45.100 -0.575 0.000 0.854 467 G HN 0.488 nan 8.290 nan 0.000 0.560 468 L N 1.531 122.352 121.223 -0.671 0.000 2.410 468 L HA 0.418 4.757 4.340 -0.000 0.000 0.270 468 L C -1.189 175.435 176.870 -0.410 0.000 0.983 468 L CA -0.903 53.638 54.840 -0.500 0.000 0.822 468 L CB 2.589 44.493 42.059 -0.258 0.000 1.285 468 L HN 0.585 nan 8.230 nan 0.000 0.409 469 D N 2.326 122.459 120.400 -0.445 0.000 2.542 469 D HA 0.436 5.076 4.640 -0.000 0.000 0.252 469 D C -0.859 175.344 176.300 -0.162 0.000 1.222 469 D CA -0.260 53.682 54.000 -0.095 0.000 0.895 469 D CB 1.000 41.811 40.800 0.017 0.000 1.207 469 D HN 0.018 nan 8.370 nan 0.000 0.558 470 F N 1.915 121.907 119.950 0.070 0.000 2.368 470 F HA 0.387 4.914 4.527 -0.000 0.000 0.308 470 F C 1.325 177.151 175.800 0.043 0.000 1.198 470 F CA -0.678 57.333 58.000 0.019 0.000 1.130 470 F CB 0.574 39.556 39.000 -0.030 0.000 1.300 470 F HN 0.286 nan 8.300 nan 0.000 0.537 471 N N 1.006 119.840 118.700 0.222 0.000 2.623 471 N HA 0.416 5.155 4.740 -0.000 0.000 0.256 471 N C -0.377 175.202 175.510 0.115 0.000 1.045 471 N CA -0.040 53.091 53.050 0.136 0.000 0.863 471 N CB 0.645 39.181 38.487 0.082 0.000 1.182 471 N HN 0.620 nan 8.380 nan 0.000 0.523 480 D N 0.396 120.766 120.400 -0.049 0.000 2.325 480 D HA 0.651 5.291 4.640 -0.000 0.000 0.251 480 D C 0.456 176.742 176.300 -0.023 0.000 1.196 480 D CA 0.664 54.639 54.000 -0.042 0.000 0.866 480 D CB 1.102 41.892 40.800 -0.016 0.000 1.101 480 D HN 0.598 nan 8.370 nan 0.000 0.476 481 I N -0.195 120.354 120.570 -0.035 0.000 4.471 481 I HA 0.033 4.203 4.170 -0.000 0.000 0.326 481 I C 2.049 178.171 176.117 0.009 0.000 1.300 481 I CA -0.060 61.223 61.300 -0.029 0.000 1.237 481 I CB 0.233 38.187 38.000 -0.077 0.000 1.195 481 I HN 0.693 nan 8.210 nan 0.000 0.427 482 H N 2.174 121.218 119.070 -0.043 0.000 2.362 482 H HA -0.288 4.268 4.556 -0.000 0.000 0.294 482 H C 2.176 177.511 175.328 0.013 0.000 1.113 482 H CA 2.944 58.985 56.048 -0.011 0.000 1.253 482 H CB -0.178 29.578 29.762 -0.011 0.000 1.363 482 H HN 0.320 nan 8.280 nan 0.000 0.494 483 I N 0.598 121.132 120.570 -0.060 0.000 2.069 483 I HA -0.190 3.980 4.170 -0.000 0.000 0.237 483 I C 0.310 176.373 176.117 -0.089 0.000 1.053 483 I CA 2.262 63.511 61.300 -0.084 0.000 1.311 483 I CB -2.444 35.554 38.000 -0.003 0.000 1.030 483 I HN 0.459 nan 8.210 nan 0.000 0.398 484 P HA -0.147 nan 4.420 nan 0.000 0.216 484 P C 2.016 179.325 177.300 0.014 0.000 1.153 484 P CA 2.052 65.147 63.100 -0.008 0.000 0.848 484 P CB -0.413 31.283 31.700 -0.006 0.000 0.787 485 C N 0.145 119.430 119.300 -0.024 0.000 2.401 485 C HA -0.134 4.326 4.460 -0.000 0.000 0.276 485 C C 3.031 178.063 174.990 0.070 0.000 1.233 485 C CA 2.136 61.160 59.018 0.010 0.000 1.753 485 C CB -2.040 25.688 27.740 -0.019 0.000 2.029 485 C HN 0.411 nan 8.230 nan 0.000 0.478 486 T N 0.129 114.642 114.554 -0.068 0.000 2.746 486 T HA -0.182 4.167 4.350 -0.000 0.000 0.267 486 T C 1.415 176.143 174.700 0.046 0.000 1.039 486 T CA 1.661 63.731 62.100 -0.050 0.000 1.142 486 T CB -0.527 68.208 68.868 -0.221 0.000 0.866 486 T HN 0.681 nan 8.240 nan 0.000 0.444 487 E N 0.559 120.785 120.200 0.043 0.000 2.153 487 E HA -0.047 4.303 4.350 -0.000 0.000 0.194 487 E C 1.797 178.458 176.600 0.101 0.000 0.988 487 E CA 1.005 57.443 56.400 0.064 0.000 0.811 487 E CB -0.402 29.331 29.700 0.054 0.000 0.746 487 E HN 0.582 nan 8.360 nan 0.000 0.466 488 F N 1.506 121.463 119.950 0.012 0.000 2.134 488 F HA -0.222 4.305 4.527 -0.000 0.000 0.299 488 F C 2.038 177.868 175.800 0.050 0.000 1.097 488 F CA 1.184 59.199 58.000 0.024 0.000 1.264 488 F CB -0.046 38.957 39.000 0.006 0.000 1.001 488 F HN -0.207 nan 8.300 nan 0.000 0.479 489 V N 0.537 120.557 119.914 0.176 0.000 2.379 489 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 489 V C 2.569 178.712 176.094 0.082 0.000 1.044 489 V CA 2.072 64.451 62.300 0.131 0.000 1.036 489 V CB -2.116 29.832 31.823 0.208 0.000 0.664 489 V HN 0.576 nan 8.190 nan 0.000 0.453 490 N N 0.451 119.201 118.700 0.084 0.000 2.272 490 N HA -0.200 4.540 4.740 -0.000 0.000 0.185 490 N C 1.836 177.386 175.510 0.066 0.000 1.014 490 N CA 1.887 54.986 53.050 0.083 0.000 0.870 490 N CB -0.382 38.145 38.487 0.067 0.000 0.975 490 N HN 0.421 nan 8.380 nan 0.000 0.433 491 L N 0.082 121.309 121.223 0.006 0.000 2.062 491 L HA 0.125 4.464 4.340 -0.000 0.000 0.202 491 L C 2.586 179.490 176.870 0.056 0.000 1.079 491 L CA 1.612 56.454 54.840 0.004 0.000 0.755 491 L CB -0.994 41.020 42.059 -0.075 0.000 0.913 491 L HN 0.487 nan 8.230 nan 0.000 0.445 492 C N 0.403 119.623 119.300 -0.132 0.000 2.391 492 C HA -0.193 4.266 4.460 -0.000 0.000 0.276 492 C C 2.682 177.814 174.990 0.236 0.000 1.217 492 C CA 1.055 60.020 59.018 -0.088 0.000 1.766 492 C CB -1.444 26.083 27.740 -0.354 0.000 2.046 492 C HN 0.487 nan 8.230 nan 0.000 0.475 493 R N 1.190 121.850 120.500 0.266 0.000 2.293 493 R HA -0.018 4.321 4.340 -0.000 0.000 0.219 493 R C 1.768 178.265 176.300 0.328 0.000 1.091 493 R CA 0.774 57.059 56.100 0.308 0.000 1.004 493 R CB -0.422 30.031 30.300 0.254 0.000 0.865 493 R HN 0.738 nan 8.270 nan 0.000 0.469 494 S N 1.009 116.930 115.700 0.368 0.000 2.278 494 S HA 0.151 4.620 4.470 -0.000 0.000 0.218 494 S C 0.749 175.669 174.600 0.533 0.000 1.345 494 S CA 0.401 58.807 58.200 0.342 0.000 1.006 494 S CB -0.104 63.237 63.200 0.234 0.000 0.811 494 S HN 0.110 nan 8.310 nan 0.000 0.459 495 F N 0.015 120.019 119.950 0.090 0.000 2.426 495 F HA -0.256 4.271 4.527 -0.000 0.000 0.283 495 F C 0.898 176.667 175.800 -0.052 0.000 1.467 495 F CA 1.300 59.337 58.000 0.062 0.000 1.793 495 F CB -1.644 37.475 39.000 0.198 0.000 1.994 495 F HN 0.560 nan 8.300 nan 0.000 0.187 496 N N 2.141 120.851 118.700 0.016 0.000 2.525 496 N HA 0.164 4.904 4.740 -0.000 0.000 0.271 496 N C 0.682 176.074 175.510 -0.197 0.000 1.194 496 N CA -0.020 52.861 53.050 -0.282 0.000 0.964 496 N CB 1.245 39.289 38.487 -0.738 0.000 1.126 496 N HN 0.366 nan 8.380 nan 0.000 0.452 497 E N 0.623 120.754 120.200 -0.114 0.000 2.358 497 E HA -0.075 4.275 4.350 -0.000 0.000 0.195 497 E C 0.465 177.049 176.600 -0.027 0.000 1.010 497 E CA 0.667 57.043 56.400 -0.040 0.000 0.856 497 E CB 0.079 29.763 29.700 -0.028 0.000 0.795 497 E HN 0.459 nan 8.360 nan 0.000 0.504 498 D N -0.111 120.241 120.400 -0.079 0.000 2.178 498 D HA -0.164 4.476 4.640 -0.000 0.000 0.201 498 D C 0.735 177.201 176.300 0.276 0.000 0.980 498 D CA 0.848 54.892 54.000 0.072 0.000 0.842 498 D CB -0.310 40.556 40.800 0.110 0.000 0.948 498 D HN 0.439 nan 8.370 nan 0.000 0.472 499 Y N -0.105 120.158 120.300 -0.061 0.000 2.572 499 Y HA 0.129 4.678 4.550 -0.000 0.000 0.340 499 Y C 1.719 177.558 175.900 -0.102 0.000 1.224 499 Y CA -0.308 57.575 58.100 -0.363 0.000 1.260 499 Y CB 0.047 38.202 38.460 -0.508 0.000 1.078 499 Y HN -0.019 nan 8.280 nan 0.000 0.491 500 G N -1.455 107.448 108.800 0.173 0.000 4.213 500 G HA2 -0.079 3.880 3.960 -0.000 0.000 0.274 500 G HA3 -0.079 3.880 3.960 -0.000 0.000 0.274 500 G C 0.544 175.417 174.900 -0.046 0.000 1.033 500 G CA -0.160 44.998 45.100 0.096 0.000 0.822 500 G HN 0.195 nan 8.290 nan 0.000 0.432 501 D N 1.011 121.464 120.400 0.087 0.000 2.149 501 D HA -0.088 4.551 4.640 -0.000 0.000 0.201 501 D C 1.560 177.923 176.300 0.105 0.000 0.972 501 D CA 0.999 55.014 54.000 0.025 0.000 0.835 501 D CB -0.180 40.622 40.800 0.004 0.000 0.966 501 D HN 0.583 nan 8.370 nan 0.000 0.476 502 H N -2.437 116.684 119.070 0.085 0.000 4.653 502 H HA -0.269 4.287 4.556 -0.000 0.000 0.118 502 H C 1.518 176.923 175.328 0.128 0.000 0.678 502 H CA 1.392 57.509 56.048 0.115 0.000 1.231 502 H CB -1.082 28.735 29.762 0.090 0.000 0.721 502 H HN 0.350 nan 8.280 nan 0.000 0.541 503 K N 1.532 122.044 120.400 0.187 0.000 2.459 503 K HA 0.422 4.742 4.320 -0.000 0.000 0.193 503 K C 1.764 178.394 176.600 0.050 0.000 1.030 503 K CA 1.177 57.542 56.287 0.130 0.000 1.026 503 K CB 0.520 33.047 32.500 0.046 0.000 0.809 503 K HN 0.274 nan 8.250 nan 0.000 0.504 504 V N -1.645 118.244 119.914 -0.042 0.000 3.161 504 V HA 0.440 4.560 4.120 -0.000 0.000 0.228 504 V C -1.046 174.893 176.094 -0.258 0.000 1.415 504 V CA -0.077 62.027 62.300 -0.327 0.000 1.285 504 V CB 0.537 31.935 31.823 -0.709 0.000 1.100 504 V HN 0.301 nan 8.190 nan 0.000 0.478 505 F N 2.680 122.696 119.950 0.109 0.000 2.469 505 F HA 0.730 5.256 4.527 -0.000 0.000 0.332 505 F C 0.084 176.006 175.800 0.203 0.000 1.103 505 F CA -1.147 56.848 58.000 -0.008 0.000 0.979 505 F CB 1.389 39.995 39.000 -0.657 0.000 1.137 505 F HN 0.057 nan 8.300 nan 0.000 0.463 506 N N 2.160 121.275 118.700 0.692 0.000 2.308 506 N HA 0.397 5.137 4.740 -0.000 0.000 0.283 506 N C -2.153 173.786 175.510 0.716 0.000 1.105 506 N CA -0.491 52.883 53.050 0.539 0.000 0.840 506 N CB 2.967 41.628 38.487 0.290 0.000 1.633 506 N HN 0.362 nan 8.380 nan 0.000 0.476 507 L N 1.832 123.353 121.223 0.498 0.000 2.349 507 L HA 0.758 5.098 4.340 -0.000 0.000 0.278 507 L C -0.767 176.292 176.870 0.315 0.000 0.996 507 L CA -0.559 54.521 54.840 0.401 0.000 0.825 507 L CB 0.894 43.175 42.059 0.369 0.000 1.243 507 L HN 0.704 nan 8.230 nan 0.000 0.412 508 A N 5.501 128.516 122.820 0.325 0.000 2.356 508 A HA 0.793 5.112 4.320 -0.000 0.000 0.310 508 A C -1.503 176.190 177.584 0.182 0.000 1.075 508 A CA -0.465 51.742 52.037 0.283 0.000 0.746 508 A CB 1.368 20.637 19.000 0.448 0.000 1.221 508 A HN 0.500 nan 8.150 nan 0.000 0.443 509 L N 2.338 123.644 121.223 0.138 0.000 2.345 509 L HA 0.547 4.887 4.340 -0.000 0.000 0.274 509 L C 0.329 177.260 176.870 0.102 0.000 0.999 509 L CA 0.086 54.971 54.840 0.074 0.000 0.849 509 L CB 1.394 43.476 42.059 0.038 0.000 1.220 509 L HN 0.772 nan 8.230 nan 0.000 0.422 510 R N 2.755 123.307 120.500 0.088 0.000 2.343 510 R HA 0.415 4.755 4.340 -0.000 0.000 0.320 510 R C -1.165 175.223 176.300 0.147 0.000 0.956 510 R CA -0.707 55.460 56.100 0.113 0.000 0.836 510 R CB 0.928 31.273 30.300 0.074 0.000 1.151 510 R HN 0.390 nan 8.270 nan 0.000 0.450 511 F N 6.282 126.261 119.950 0.049 0.000 2.438 511 F HA 0.322 4.849 4.527 -0.000 0.000 0.356 511 F C -0.430 175.426 175.800 0.094 0.000 1.099 511 F CA -0.091 57.956 58.000 0.078 0.000 1.185 511 F CB 0.809 39.853 39.000 0.073 0.000 1.115 511 F HN 0.248 nan 8.300 nan 0.000 0.526 512 V N 3.178 122.810 119.914 -0.470 0.000 3.130 512 V HA 0.624 4.744 4.120 -0.000 0.000 0.310 512 V C -0.979 174.854 176.094 -0.436 0.000 1.158 512 V CA -1.326 60.764 62.300 -0.350 0.000 1.029 512 V CB 1.901 33.620 31.823 -0.174 0.000 1.057 512 V HN 0.720 nan 8.190 nan 0.000 0.436 513 K N 1.101 121.272 120.400 -0.382 0.000 2.106 513 K HA 0.573 4.892 4.320 -0.000 0.000 0.246 513 K C 1.342 177.604 176.600 -0.564 0.000 0.987 513 K CA -0.174 55.805 56.287 -0.513 0.000 0.904 513 K CB 1.503 33.583 32.500 -0.701 0.000 1.071 513 K HN 0.945 nan 8.250 nan 0.000 0.453 514 G N 1.040 109.515 108.800 -0.541 0.000 2.586 514 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.218 514 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.218 514 G C 1.311 175.957 174.900 -0.424 0.000 1.216 514 G CA 1.429 46.296 45.100 -0.388 0.000 0.786 514 G HN 0.790 nan 8.290 nan 0.000 0.583 515 Y N -0.086 120.108 120.300 -0.177 0.000 2.639 515 Y HA 0.185 4.735 4.550 -0.000 0.000 0.297 515 Y C 1.619 177.429 175.900 -0.150 0.000 1.151 515 Y CA 0.542 58.537 58.100 -0.175 0.000 1.335 515 Y CB -0.401 37.978 38.460 -0.135 0.000 0.994 515 Y HN 0.214 nan 8.280 nan 0.000 0.548 516 D N 0.326 120.535 120.400 -0.317 0.000 2.349 516 D HA 0.088 4.728 4.640 -0.000 0.000 0.214 516 D C 0.114 176.327 176.300 -0.145 0.000 1.063 516 D CA -0.058 53.872 54.000 -0.118 0.000 0.847 516 D CB -0.104 40.587 40.800 -0.182 0.000 0.933 516 D HN 0.327 nan 8.370 nan 0.000 0.513 517 L N 1.640 122.721 121.223 -0.237 0.000 2.490 517 L HA 0.167 4.507 4.340 -0.000 0.000 0.274 517 L C -1.848 174.897 176.870 -0.208 0.000 1.201 517 L CA -1.359 53.303 54.840 -0.297 0.000 0.869 517 L CB 0.339 42.068 42.059 -0.549 0.000 1.123 517 L HN -0.105 nan 8.230 nan 0.000 0.484 518 P HA -0.047 nan 4.420 nan 0.000 0.267 518 P C -0.033 177.176 177.300 -0.152 0.000 1.200 518 P CA -0.076 62.924 63.100 -0.168 0.000 0.772 518 P CB 0.514 32.085 31.700 -0.215 0.000 0.855 519 D N 1.961 122.331 120.400 -0.050 0.000 2.178 519 D HA -0.180 4.460 4.640 -0.000 0.000 0.201 519 D C 1.637 177.952 176.300 0.025 0.000 0.980 519 D CA 1.192 55.206 54.000 0.023 0.000 0.842 519 D CB -0.163 40.637 40.800 -0.000 0.000 0.948 519 D HN 0.654 nan 8.370 nan 0.000 0.472 520 E N 0.803 120.986 120.200 -0.028 0.000 2.273 520 E HA -0.155 4.195 4.350 -0.000 0.000 0.198 520 E C 1.822 178.348 176.600 -0.124 0.000 1.002 520 E CA 0.796 57.206 56.400 0.017 0.000 0.828 520 E CB -0.211 29.566 29.700 0.128 0.000 0.747 520 E HN 0.058 nan 8.360 nan 0.000 0.491 521 V N 0.371 119.904 119.914 -0.635 0.000 3.217 521 V HA 0.014 4.134 4.120 -0.000 0.000 0.264 521 V C 0.406 175.837 176.094 -1.105 0.000 1.135 521 V CA 0.742 62.203 62.300 -1.399 0.000 1.142 521 V CB -0.540 29.795 31.823 -2.480 0.000 0.754 521 V HN 0.149 nan 8.190 nan 0.000 0.484 522 F N -0.729 118.999 119.950 -0.371 0.000 2.518 522 F HA 0.442 4.968 4.527 -0.000 0.000 0.338 522 F C 0.796 176.582 175.800 -0.024 0.000 1.065 522 F CA -1.175 56.725 58.000 -0.168 0.000 1.012 522 F CB 0.250 39.145 39.000 -0.175 0.000 1.297 522 F HN -0.117 nan 8.300 nan 0.000 0.489 523 D N 0.248 120.796 120.400 0.246 0.000 2.398 523 D HA 0.200 4.840 4.640 -0.000 0.000 0.247 523 D C 1.219 177.589 176.300 0.116 0.000 1.227 523 D CA 0.524 54.617 54.000 0.154 0.000 0.980 523 D CB 0.524 41.407 40.800 0.139 0.000 1.106 523 D HN 0.714 nan 8.370 nan 0.000 0.493 524 E N 0.726 120.974 120.200 0.079 0.000 2.047 524 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 524 E C 1.044 177.671 176.600 0.044 0.000 0.987 524 E CA 1.064 57.497 56.400 0.054 0.000 0.799 524 E CB -0.811 28.914 29.700 0.041 0.000 0.752 524 E HN 0.575 nan 8.360 nan 0.000 0.449 525 N N 1.765 120.493 118.700 0.047 0.000 2.843 525 N HA -0.001 4.738 4.740 -0.000 0.000 0.284 525 N C 0.218 175.758 175.510 0.050 0.000 1.274 525 N CA 0.450 53.520 53.050 0.034 0.000 1.045 525 N CB -0.231 38.272 38.487 0.027 0.000 1.370 525 N HN 0.779 nan 8.380 nan 0.000 0.525 526 E N 1.248 121.485 120.200 0.061 0.000 3.473 526 E HA 0.026 4.376 4.350 -0.000 0.000 0.309 526 E C -0.287 176.330 176.600 0.028 0.000 1.502 526 E CA -0.353 56.102 56.400 0.091 0.000 1.525 526 E CB 0.074 29.801 29.700 0.044 0.000 1.183 526 E HN 0.434 nan 8.360 nan 0.000 0.757 527 K N -0.563 119.812 120.400 -0.042 0.000 2.839 527 K HA 0.079 4.399 4.320 -0.000 0.000 0.182 527 K C -0.572 175.915 176.600 -0.188 0.000 1.579 527 K CA -0.378 55.871 56.287 -0.063 0.000 0.669 527 K CB -0.566 31.968 32.500 0.057 0.000 1.276 527 K HN 0.533 nan 8.250 nan 0.000 0.410 528 R N 1.721 121.821 120.500 -0.667 0.000 2.503 528 R HA -0.034 4.305 4.340 -0.000 0.000 0.271 528 R C -2.047 173.986 176.300 -0.446 0.000 0.960 528 R CA 0.079 55.564 56.100 -1.025 0.000 1.104 528 R CB -0.030 29.670 30.300 -1.000 0.000 0.879 528 R HN 0.129 nan 8.270 nan 0.000 0.420 529 P HA 0.059 nan 4.420 nan 0.000 0.273 529 P C -0.908 176.356 177.300 -0.060 0.000 1.250 529 P CA -0.286 62.737 63.100 -0.129 0.000 0.793 529 P CB 1.009 32.635 31.700 -0.124 0.000 1.011 530 S N 0.000 115.691 115.700 -0.015 0.000 2.498 530 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 530 S CA 0.000 58.161 58.200 -0.065 0.000 1.107 530 S CB 0.000 63.154 63.200 -0.076 0.000 0.593 530 S HN 0.000 nan 8.310 nan 0.000 0.517