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 2p9p_1_A DATA FIRST_RESID 3 DATA SEQUENCE GRLPACVVDC GTGYTKLGYA GNTEPQFIIP SCIAIKEXXX XXXXXXXXXM DATA SEQUENCE KGVDDLDFFI GDEAIEKPTY ATKWPIRHGI VEDWDLMERF MEQVIFKYLR DATA SEQUENCE AEPEDHYFLL TEPPLNTPEN REYTAEIMFE SFNVPGLYIA VQAVLALAAS DATA SEQUENCE WTSXXXXXRT LTGTVIDSGD GVTHVIPVAE GYVIGSCIKH IPIAGRDITY DATA SEQUENCE FIQQLLRDRE VGIPPEQSLE TAKAVKERYS YVCPDLVKEF NKYDTDGXKW DATA SEQUENCE IKQYTGINAX XKKEFSIDVG YERFLGPEIF FHPEFANPDF TQPISEVVDE DATA SEQUENCE VIQNCPIDVR RPLYKNIVLS GGSTMFRDFG RRLQRDLKRT VDARLKLSEE DATA SEQUENCE LSXXXXKPKP IDVQVITHHM QRYAVWFGGS MLASTPEFYQ VCHTKKDYEE DATA SEQUENCE IGPSICRHNP VF 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 3 G C 0.000 174.834 174.900 -0.110 0.000 0.946 3 G CA 0.000 44.999 45.100 -0.169 0.000 0.502 4 R N -0.786 119.668 120.500 -0.076 0.000 2.240 4 R HA 0.314 4.653 4.340 -0.000 0.000 0.203 4 R C 0.782 177.054 176.300 -0.045 0.000 1.011 4 R CA 0.484 56.550 56.100 -0.057 0.000 1.007 4 R CB -0.242 30.029 30.300 -0.048 0.000 0.911 4 R HN 0.284 nan 8.270 nan 0.000 0.468 5 L N 2.805 123.998 121.223 -0.049 0.000 2.309 5 L HA 0.515 4.855 4.340 -0.000 0.000 0.282 5 L C -1.984 174.939 176.870 0.089 0.000 1.036 5 L CA -2.579 52.247 54.840 -0.022 0.000 0.806 5 L CB 1.432 43.383 42.059 -0.181 0.000 1.220 5 L HN 0.059 nan 8.230 nan 0.000 0.429 6 P HA 0.258 nan 4.420 nan 0.000 0.276 6 P C -0.692 176.844 177.300 0.393 0.000 1.244 6 P CA -0.472 62.769 63.100 0.235 0.000 0.801 6 P CB 1.209 33.015 31.700 0.176 0.000 1.006 7 A N 1.131 124.105 122.820 0.257 0.000 2.310 7 A HA 0.335 4.655 4.320 -0.000 0.000 0.260 7 A C 0.049 177.603 177.584 -0.050 0.000 1.112 7 A CA -0.286 51.848 52.037 0.162 0.000 0.804 7 A CB -0.250 18.784 19.000 0.055 0.000 1.081 7 A HN 0.663 nan 8.150 nan 0.000 0.499 8 C N 0.127 119.191 119.300 -0.392 0.000 2.341 8 C HA 0.621 5.081 4.460 -0.000 0.000 0.338 8 C C -0.082 174.671 174.990 -0.395 0.000 1.257 8 C CA -0.453 58.153 59.018 -0.686 0.000 1.883 8 C CB 0.336 27.168 27.740 -1.512 0.000 2.334 8 C HN 0.536 nan 8.230 nan 0.000 0.524 9 V N 4.087 123.854 119.914 -0.245 0.000 2.444 9 V HA 0.575 4.695 4.120 -0.000 0.000 0.294 9 V C -0.500 175.673 176.094 0.131 0.000 1.022 9 V CA -0.354 61.849 62.300 -0.161 0.000 0.850 9 V CB 1.625 33.119 31.823 -0.548 0.000 0.992 9 V HN 0.686 nan 8.190 nan 0.000 0.426 10 V N 3.336 123.334 119.914 0.141 0.000 2.483 10 V HA 0.468 4.588 4.120 -0.000 0.000 0.297 10 V C -0.932 175.291 176.094 0.214 0.000 1.027 10 V CA -0.477 61.962 62.300 0.233 0.000 0.855 10 V CB 2.016 33.961 31.823 0.203 0.000 0.995 10 V HN 0.936 nan 8.190 nan 0.000 0.424 11 D N 3.487 124.058 120.400 0.285 0.000 2.460 11 D HA 0.318 4.958 4.640 -0.000 0.000 0.232 11 D C -0.419 175.973 176.300 0.155 0.000 1.079 11 D CA -0.188 53.939 54.000 0.212 0.000 0.864 11 D CB 1.013 41.987 40.800 0.290 0.000 1.048 11 D HN 0.534 nan 8.370 nan 0.000 0.523 12 C N 4.671 124.022 119.300 0.086 0.000 2.210 12 C HA 0.663 5.123 4.460 -0.000 0.000 0.377 12 C C 1.278 176.272 174.990 0.006 0.000 1.037 12 C CA -0.653 58.373 59.018 0.012 0.000 1.405 12 C CB -1.021 26.670 27.740 -0.083 0.000 1.802 12 C HN 0.646 nan 8.230 nan 0.000 0.495 13 G N 2.175 111.013 108.800 0.062 0.000 2.616 13 G HA2 0.314 4.274 3.960 -0.000 0.000 0.268 13 G HA3 0.314 4.274 3.960 -0.000 0.000 0.268 13 G C 0.894 175.807 174.900 0.022 0.000 1.213 13 G CA -0.110 45.028 45.100 0.064 0.000 0.926 13 G HN 0.544 nan 8.290 nan 0.000 0.523 14 T N -0.198 114.360 114.554 0.007 0.000 3.055 14 T HA 0.091 4.441 4.350 -0.000 0.000 0.265 14 T C 1.925 176.617 174.700 -0.013 0.000 1.111 14 T CA 1.333 63.420 62.100 -0.021 0.000 1.118 14 T CB 0.168 69.007 68.868 -0.049 0.000 0.909 14 T HN 0.643 nan 8.240 nan 0.000 0.501 15 G N -1.091 107.673 108.800 -0.061 0.000 2.801 15 G HA2 0.358 4.318 3.960 -0.000 0.000 0.213 15 G HA3 0.358 4.318 3.960 -0.000 0.000 0.213 15 G C -0.171 174.569 174.900 -0.266 0.000 1.052 15 G CA -0.261 44.716 45.100 -0.205 0.000 0.868 15 G HN 0.471 nan 8.290 nan 0.000 0.589 16 Y N 0.007 120.400 120.300 0.156 0.000 2.479 16 Y HA 0.485 5.035 4.550 -0.000 0.000 0.338 16 Y C -0.711 175.251 175.900 0.103 0.000 1.055 16 Y CA -1.028 57.154 58.100 0.137 0.000 1.023 16 Y CB 2.492 41.029 38.460 0.128 0.000 1.287 16 Y HN -0.161 nan 8.280 nan 0.000 0.447 17 T N 3.619 118.344 114.554 0.286 0.000 2.770 17 T HA 0.352 4.702 4.350 -0.000 0.000 0.283 17 T C -0.727 174.029 174.700 0.093 0.000 0.988 17 T CA -0.881 61.334 62.100 0.192 0.000 0.957 17 T CB 0.602 69.642 68.868 0.286 0.000 0.930 17 T HN 0.233 nan 8.240 nan 0.000 0.443 18 K N 3.824 124.260 120.400 0.060 0.000 2.253 18 K HA 0.616 4.935 4.320 -0.000 0.000 0.277 18 K C -0.427 176.117 176.600 -0.093 0.000 1.053 18 K CA -0.499 55.689 56.287 -0.166 0.000 0.892 18 K CB 0.459 32.850 32.500 -0.181 0.000 1.102 18 K HN 0.550 nan 8.250 nan 0.000 0.469 19 L N -0.695 120.411 121.223 -0.195 0.000 2.388 19 L HA 1.007 5.347 4.340 -0.000 0.000 0.264 19 L C 0.034 176.915 176.870 0.019 0.000 0.998 19 L CA -0.778 54.090 54.840 0.046 0.000 0.817 19 L CB 2.406 44.490 42.059 0.040 0.000 1.338 19 L HN 0.589 nan 8.230 nan 0.000 0.414 20 G N 0.262 109.209 108.800 0.245 0.000 2.341 20 G HA2 0.360 4.320 3.960 -0.000 0.000 0.299 20 G HA3 0.360 4.320 3.960 -0.000 0.000 0.299 20 G C -2.305 172.630 174.900 0.059 0.000 1.274 20 G CA -0.713 44.499 45.100 0.188 0.000 0.853 20 G HN 0.528 nan 8.290 nan 0.000 0.493 21 Y N 0.515 120.972 120.300 0.262 0.000 2.419 21 Y HA 0.636 5.186 4.550 -0.000 0.000 0.328 21 Y C 0.993 176.930 175.900 0.061 0.000 1.162 21 Y CA 0.168 58.323 58.100 0.092 0.000 1.174 21 Y CB 1.917 40.404 38.460 0.045 0.000 1.228 21 Y HN 0.747 nan 8.280 nan 0.000 0.473 22 A N 1.000 123.855 122.820 0.058 0.000 2.440 22 A HA 0.477 4.797 4.320 -0.000 0.000 0.251 22 A C 1.194 178.756 177.584 -0.036 0.000 1.089 22 A CA 0.670 52.629 52.037 -0.130 0.000 0.779 22 A CB -0.733 18.125 19.000 -0.238 0.000 1.022 22 A HN 1.395 nan 8.150 nan 0.000 0.492 23 G N 1.784 110.528 108.800 -0.094 0.000 2.259 23 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 23 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 23 G C 0.179 175.114 174.900 0.059 0.000 1.001 23 G CA 0.014 45.099 45.100 -0.025 0.000 0.627 23 G HN 0.762 nan 8.290 nan 0.000 0.501 24 N N 0.846 119.635 118.700 0.148 0.000 2.530 24 N HA 0.369 5.109 4.740 -0.000 0.000 0.273 24 N C 1.070 176.798 175.510 0.363 0.000 1.173 24 N CA 0.603 53.803 53.050 0.250 0.000 0.967 24 N CB 1.366 40.045 38.487 0.321 0.000 1.109 24 N HN 0.098 nan 8.380 nan 0.000 0.453 25 T N 0.934 115.685 114.554 0.328 0.000 2.951 25 T HA -0.017 4.333 4.350 -0.000 0.000 0.268 25 T C 0.317 175.326 174.700 0.517 0.000 1.073 25 T CA 1.152 63.526 62.100 0.458 0.000 1.134 25 T CB 0.191 69.238 68.868 0.297 0.000 0.884 25 T HN 0.435 nan 8.240 nan 0.000 0.479 26 E N 0.496 120.875 120.200 0.298 0.000 2.336 26 E HA 0.400 4.750 4.350 -0.000 0.000 0.267 26 E C -2.807 173.521 176.600 -0.454 0.000 0.906 26 E CA -2.522 53.897 56.400 0.031 0.000 0.781 26 E CB 1.586 31.261 29.700 -0.042 0.000 1.261 26 E HN -0.014 nan 8.360 nan 0.000 0.436 27 P HA 0.118 nan 4.420 nan 0.000 0.272 27 P C 0.230 177.097 177.300 -0.720 0.000 1.230 27 P CA 0.011 62.208 63.100 -1.504 0.000 0.788 27 P CB 0.682 31.472 31.700 -1.516 0.000 0.949 28 Q N 0.151 119.644 119.800 -0.512 0.000 2.398 28 Q HA 0.262 4.602 4.340 -0.000 0.000 0.204 28 Q C -0.478 174.984 176.000 -0.898 0.000 0.932 28 Q CA 1.036 56.524 55.803 -0.525 0.000 0.916 28 Q CB -0.046 28.518 28.738 -0.290 0.000 1.024 28 Q HN 0.430 nan 8.270 nan 0.000 0.504 29 F N -1.103 118.656 119.950 -0.318 0.000 2.641 29 F HA 0.486 5.013 4.527 -0.000 0.000 0.308 29 F C -0.941 174.631 175.800 -0.380 0.000 1.105 29 F CA -1.021 56.810 58.000 -0.282 0.000 0.964 29 F CB 1.573 40.441 39.000 -0.221 0.000 1.294 29 F HN -0.334 nan 8.300 nan 0.000 0.442 30 I N 4.774 125.253 120.570 -0.153 0.000 2.503 30 I HA 0.491 4.661 4.170 -0.000 0.000 0.282 30 I C -0.989 175.054 176.117 -0.124 0.000 1.059 30 I CA -0.438 60.724 61.300 -0.231 0.000 1.081 30 I CB 1.454 39.210 38.000 -0.408 0.000 1.210 30 I HN 0.496 nan 8.210 nan 0.000 0.450 31 I N 3.093 123.652 120.570 -0.019 0.000 2.785 31 I HA 0.722 4.892 4.170 -0.000 0.000 0.302 31 I C -2.811 173.482 176.117 0.293 0.000 1.069 31 I CA -2.873 58.460 61.300 0.055 0.000 1.045 31 I CB 2.198 40.129 38.000 -0.115 0.000 1.236 31 I HN 0.131 nan 8.210 nan 0.000 0.429 32 P HA 0.039 nan 4.420 nan 0.000 0.264 32 P C -0.356 177.072 177.300 0.215 0.000 1.193 32 P CA 0.244 63.584 63.100 0.400 0.000 0.763 32 P CB 0.540 32.416 31.700 0.294 0.000 0.810 33 S N 2.445 118.298 115.700 0.254 0.000 4.053 33 S HA 0.144 4.614 4.470 -0.000 0.000 0.184 33 S C 0.433 174.904 174.600 -0.215 0.000 1.324 33 S CA -0.238 58.016 58.200 0.091 0.000 0.956 33 S CB -1.360 61.873 63.200 0.055 0.000 1.503 33 S HN 0.548 nan 8.310 nan 0.000 0.440 34 C N 0.398 119.491 119.300 -0.346 0.000 2.797 34 C HA 0.834 5.293 4.460 -0.000 0.000 0.306 34 C C -0.493 174.364 174.990 -0.222 0.000 1.207 34 C CA -1.406 57.159 59.018 -0.755 0.000 1.507 34 C CB 0.325 26.945 27.740 -1.867 0.000 2.028 34 C HN 0.594 nan 8.230 nan 0.000 0.475 35 I N 2.365 122.829 120.570 -0.177 0.000 2.509 35 I HA 0.734 4.904 4.170 -0.000 0.000 0.293 35 I C -0.031 176.075 176.117 -0.018 0.000 1.020 35 I CA -0.457 60.849 61.300 0.010 0.000 1.088 35 I CB 1.827 39.866 38.000 0.065 0.000 1.267 35 I HN 1.135 nan 8.210 nan 0.000 0.430 36 A N 8.360 131.226 122.820 0.078 0.000 2.317 36 A HA 0.827 5.147 4.320 -0.000 0.000 0.327 36 A C -0.608 177.110 177.584 0.223 0.000 1.178 36 A CA -0.581 51.530 52.037 0.123 0.000 0.817 36 A CB 0.709 19.774 19.000 0.107 0.000 1.189 36 A HN 0.741 nan 8.150 nan 0.000 0.489 37 I N -1.427 119.315 120.570 0.287 0.000 3.174 37 I HA 0.618 4.788 4.170 -0.000 0.000 0.313 37 I C -0.730 175.586 176.117 0.332 0.000 1.155 37 I CA -1.366 60.128 61.300 0.323 0.000 0.977 37 I CB 1.904 39.983 38.000 0.131 0.000 1.248 37 I HN 0.234 nan 8.210 nan 0.000 0.453 38 K N 2.325 122.850 120.400 0.207 0.000 2.174 38 K HA 0.510 4.830 4.320 -0.000 0.000 0.275 38 K C -0.520 176.096 176.600 0.027 0.000 1.015 38 K CA -0.070 56.230 56.287 0.020 0.000 0.933 38 K CB 1.281 33.762 32.500 -0.031 0.000 1.025 38 K HN 0.924 nan 8.250 nan 0.000 0.463 53 K N 1.276 121.677 120.400 0.002 0.000 2.318 53 K HA 0.957 5.277 4.320 -0.000 0.000 0.249 53 K C 0.458 177.060 176.600 0.003 0.000 0.942 53 K CA -0.123 56.165 56.287 0.001 0.000 0.808 53 K CB 2.538 35.038 32.500 -0.000 0.000 1.189 53 K HN 0.797 nan 8.250 nan 0.000 0.428 54 G N 0.883 109.683 108.800 0.001 0.000 2.779 54 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.284 54 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.284 54 G C -0.064 174.837 174.900 0.003 0.000 1.326 54 G CA 0.038 45.139 45.100 0.001 0.000 0.983 54 G HN 0.799 nan 8.290 nan 0.000 0.555 55 V N 1.825 121.744 119.914 0.007 0.000 2.872 55 V HA 0.293 4.413 4.120 -0.000 0.000 0.367 55 V C 0.743 176.853 176.094 0.026 0.000 1.343 55 V CA 0.493 62.800 62.300 0.012 0.000 1.219 55 V CB 0.887 32.711 31.823 0.003 0.000 1.308 55 V HN 0.583 nan 8.190 nan 0.000 0.610 56 D N 1.689 122.106 120.400 0.028 0.000 2.219 56 D HA -0.159 4.481 4.640 -0.000 0.000 0.205 56 D C 1.812 178.153 176.300 0.068 0.000 0.970 56 D CA 1.656 55.681 54.000 0.042 0.000 0.851 56 D CB 0.174 40.991 40.800 0.029 0.000 0.943 56 D HN 0.688 nan 8.370 nan 0.000 0.488 57 D N 1.223 121.656 120.400 0.056 0.000 2.144 57 D HA -0.169 4.471 4.640 -0.000 0.000 0.199 57 D C 2.112 178.519 176.300 0.178 0.000 0.984 57 D CA 0.522 54.559 54.000 0.061 0.000 0.834 57 D CB -0.612 40.202 40.800 0.023 0.000 0.955 57 D HN 0.274 nan 8.370 nan 0.000 0.465 58 L N 0.391 121.717 121.223 0.171 0.000 2.551 58 L HA -0.012 4.328 4.340 -0.000 0.000 0.228 58 L C 0.770 177.701 176.870 0.102 0.000 1.153 58 L CA 0.183 55.149 54.840 0.210 0.000 0.851 58 L CB -0.329 41.758 42.059 0.047 0.000 0.959 58 L HN -0.096 nan 8.230 nan 0.000 0.451 59 D N 1.054 121.540 120.400 0.143 0.000 2.483 59 D HA 0.250 4.890 4.640 -0.000 0.000 0.220 59 D C -0.488 175.886 176.300 0.122 0.000 1.173 59 D CA -0.103 53.922 54.000 0.041 0.000 0.964 59 D CB -0.207 40.672 40.800 0.132 0.000 1.046 59 D HN 0.106 nan 8.370 nan 0.000 0.517 60 F N 0.372 120.044 119.950 -0.463 0.000 2.773 60 F HA 0.682 5.209 4.527 -0.000 0.000 0.314 60 F C -1.875 173.349 175.800 -0.960 0.000 1.160 60 F CA -1.351 56.341 58.000 -0.513 0.000 0.920 60 F CB 0.929 39.811 39.000 -0.197 0.000 1.323 60 F HN -0.120 nan 8.300 nan 0.000 0.457 61 F N 1.727 121.630 119.950 -0.078 0.000 2.643 61 F HA 0.810 5.337 4.527 -0.000 0.000 0.314 61 F C -0.226 175.557 175.800 -0.029 0.000 1.096 61 F CA -1.092 56.800 58.000 -0.180 0.000 0.953 61 F CB 2.268 41.102 39.000 -0.277 0.000 1.345 61 F HN 0.761 nan 8.300 nan 0.000 0.468 62 I N -1.289 119.350 120.570 0.115 0.000 3.264 62 I HA 0.997 5.167 4.170 -0.000 0.000 0.315 62 I C 0.329 176.401 176.117 -0.076 0.000 1.154 62 I CA -0.734 60.549 61.300 -0.029 0.000 0.962 62 I CB 1.690 39.524 38.000 -0.278 0.000 1.265 62 I HN 0.901 nan 8.210 nan 0.000 0.463 63 G N 1.955 110.689 108.800 -0.110 0.000 2.564 63 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.273 63 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.273 63 G C 0.256 175.142 174.900 -0.024 0.000 1.242 63 G CA 0.629 45.686 45.100 -0.072 0.000 0.951 63 G HN 0.868 nan 8.290 nan 0.000 0.564 64 D N 0.716 121.125 120.400 0.014 0.000 2.149 64 D HA -0.074 4.566 4.640 -0.000 0.000 0.198 64 D C 2.222 178.518 176.300 -0.006 0.000 0.990 64 D CA 1.634 55.654 54.000 0.033 0.000 0.839 64 D CB -0.243 40.583 40.800 0.044 0.000 0.948 64 D HN 0.733 nan 8.370 nan 0.000 0.460 65 E N 0.731 120.917 120.200 -0.024 0.000 2.171 65 E HA -0.158 4.192 4.350 -0.000 0.000 0.197 65 E C 1.837 178.364 176.600 -0.122 0.000 0.997 65 E CA 1.040 57.383 56.400 -0.095 0.000 0.810 65 E CB -0.035 29.626 29.700 -0.065 0.000 0.738 65 E HN 0.222 nan 8.360 nan 0.000 0.467 66 A N 0.364 123.161 122.820 -0.039 0.000 2.238 66 A HA 0.087 4.407 4.320 -0.000 0.000 0.210 66 A C 1.925 179.492 177.584 -0.028 0.000 1.179 66 A CA -0.061 51.963 52.037 -0.021 0.000 0.827 66 A CB -0.104 18.894 19.000 -0.004 0.000 0.856 66 A HN 0.090 nan 8.150 nan 0.000 0.488 67 I N 0.129 120.691 120.570 -0.012 0.000 2.202 67 I HA -0.186 3.984 4.170 -0.000 0.000 0.242 67 I C 0.869 177.029 176.117 0.071 0.000 1.091 67 I CA 1.395 62.725 61.300 0.050 0.000 1.368 67 I CB -0.031 38.029 38.000 0.101 0.000 1.058 67 I HN 0.424 nan 8.210 nan 0.000 0.410 68 E N 0.221 120.446 120.200 0.041 0.000 3.646 68 E HA 0.208 4.558 4.350 -0.000 0.000 0.211 68 E C -0.429 176.195 176.600 0.040 0.000 1.034 68 E CA -0.356 56.075 56.400 0.052 0.000 1.341 68 E CB -0.155 29.575 29.700 0.050 0.000 1.202 68 E HN -0.091 nan 8.360 nan 0.000 0.447 69 K N 2.095 122.526 120.400 0.052 0.000 2.315 69 K HA 0.129 4.449 4.320 -0.000 0.000 0.291 69 K C -1.703 175.015 176.600 0.196 0.000 1.074 69 K CA -1.929 54.414 56.287 0.095 0.000 0.936 69 K CB 0.809 33.367 32.500 0.097 0.000 1.049 69 K HN 0.042 nan 8.250 nan 0.000 0.471 70 P HA -0.211 nan 4.420 nan 0.000 0.219 70 P C 1.055 178.420 177.300 0.109 0.000 1.161 70 P CA 1.611 64.774 63.100 0.104 0.000 0.909 70 P CB 0.260 32.004 31.700 0.072 0.000 0.793 71 T N -3.157 111.476 114.554 0.133 0.000 3.235 71 T HA 0.111 4.461 4.350 -0.000 0.000 0.251 71 T C -0.401 174.182 174.700 -0.195 0.000 1.060 71 T CA -0.217 61.856 62.100 -0.045 0.000 0.949 71 T CB -0.742 68.038 68.868 -0.147 0.000 1.020 71 T HN -0.113 nan 8.240 nan 0.000 0.564 72 Y N 0.165 120.512 120.300 0.080 0.000 2.545 72 Y HA 0.679 5.229 4.550 -0.000 0.000 0.348 72 Y C 0.045 175.992 175.900 0.079 0.000 1.002 72 Y CA -1.672 56.486 58.100 0.097 0.000 1.039 72 Y CB 1.734 40.286 38.460 0.155 0.000 1.271 72 Y HN 0.085 nan 8.280 nan 0.000 0.467 73 A N 1.228 124.190 122.820 0.237 0.000 2.260 73 A HA 0.566 4.886 4.320 -0.000 0.000 0.308 73 A C -0.338 177.330 177.584 0.140 0.000 1.254 73 A CA -0.545 51.584 52.037 0.154 0.000 0.874 73 A CB 0.064 19.129 19.000 0.108 0.000 1.153 73 A HN 0.685 nan 8.150 nan 0.000 0.527 74 T N 4.550 119.176 114.554 0.120 0.000 2.761 74 T HA 0.303 4.653 4.350 -0.000 0.000 0.296 74 T C 0.054 174.785 174.700 0.051 0.000 0.934 74 T CA 0.013 62.147 62.100 0.057 0.000 1.091 74 T CB 0.036 68.961 68.868 0.094 0.000 0.896 74 T HN 0.515 nan 8.240 nan 0.000 0.515 75 K N 2.722 123.079 120.400 -0.072 0.000 2.203 75 K HA 0.383 4.703 4.320 -0.000 0.000 0.251 75 K C -1.087 175.387 176.600 -0.210 0.000 0.944 75 K CA -0.693 55.582 56.287 -0.019 0.000 0.829 75 K CB 1.810 34.303 32.500 -0.012 0.000 1.125 75 K HN 0.597 nan 8.250 nan 0.000 0.430 76 W N 2.847 124.119 121.300 -0.046 0.000 2.453 76 W HA 0.315 4.975 4.660 0.000 0.000 0.298 76 W C -1.757 174.679 176.519 -0.139 0.000 0.983 76 W CA -1.862 55.432 57.345 -0.086 0.000 1.600 76 W CB 0.927 30.328 29.460 -0.098 0.000 1.430 76 W HN 0.536 nan 8.180 nan 0.000 0.422 77 P HA -0.228 nan 4.420 nan 0.000 0.217 77 P C 0.388 177.590 177.300 -0.163 0.000 1.158 77 P CA 1.581 64.597 63.100 -0.141 0.000 0.887 77 P CB 0.314 31.873 31.700 -0.235 0.000 0.792 78 I N 0.337 120.817 120.570 -0.151 0.000 2.329 78 I HA 0.051 4.220 4.170 -0.000 0.000 0.295 78 I C 0.433 176.486 176.117 -0.106 0.000 1.109 78 I CA -0.233 60.979 61.300 -0.146 0.000 1.297 78 I CB 0.042 37.955 38.000 -0.145 0.000 1.433 78 I HN -0.185 nan 8.210 nan 0.000 0.509 79 R N 5.826 126.244 120.500 -0.137 0.000 2.246 79 R HA 0.329 4.669 4.340 -0.000 0.000 0.332 79 R C 0.152 176.329 176.300 -0.206 0.000 0.974 79 R CA -0.794 55.151 56.100 -0.258 0.000 0.837 79 R CB 0.221 30.368 30.300 -0.255 0.000 1.145 79 R HN 0.529 nan 8.270 nan 0.000 0.467 80 H N 1.044 120.102 119.070 -0.020 0.000 2.936 80 H HA -0.209 4.347 4.556 0.000 0.000 0.276 80 H C 1.060 176.415 175.328 0.045 0.000 1.216 80 H CA 1.169 57.226 56.048 0.015 0.000 1.132 80 H CB -1.373 28.400 29.762 0.018 0.000 1.303 80 H HN 0.987 nan 8.280 nan 0.000 0.370 81 G N -0.739 108.103 108.800 0.070 0.000 2.284 81 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.247 81 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.247 81 G C 0.255 175.166 174.900 0.019 0.000 1.012 81 G CA 0.305 45.433 45.100 0.046 0.000 0.618 81 G HN 0.381 nan 8.290 nan 0.000 0.521 82 I N 1.432 122.030 120.570 0.047 0.000 2.428 82 I HA 0.490 4.660 4.170 -0.000 0.000 0.296 82 I C 0.827 176.907 176.117 -0.063 0.000 0.985 82 I CA -0.630 60.685 61.300 0.026 0.000 1.260 82 I CB 1.894 39.948 38.000 0.090 0.000 1.389 82 I HN -0.013 nan 8.210 nan 0.000 0.484 83 V N 7.801 127.620 119.914 -0.160 0.000 2.421 83 V HA 0.058 4.178 4.120 -0.000 0.000 0.271 83 V C 1.138 177.037 176.094 -0.324 0.000 1.031 83 V CA 0.040 62.101 62.300 -0.399 0.000 1.032 83 V CB 0.214 31.479 31.823 -0.930 0.000 1.009 83 V HN 0.712 nan 8.190 nan 0.000 0.477 84 E N 2.193 122.252 120.200 -0.235 0.000 2.190 84 E HA 0.026 4.376 4.350 -0.000 0.000 0.191 84 E C 0.526 177.042 176.600 -0.139 0.000 0.978 84 E CA 0.508 56.837 56.400 -0.119 0.000 0.839 84 E CB 0.278 29.940 29.700 -0.063 0.000 0.787 84 E HN 0.698 nan 8.360 nan 0.000 0.473 85 D N -1.004 119.250 120.400 -0.243 0.000 2.462 85 D HA 0.078 4.718 4.640 -0.000 0.000 0.245 85 D C -0.201 175.946 176.300 -0.254 0.000 1.122 85 D CA -0.566 53.333 54.000 -0.168 0.000 0.864 85 D CB 0.155 40.889 40.800 -0.110 0.000 1.098 85 D HN -0.093 nan 8.370 nan 0.000 0.541 86 W N 2.033 123.287 121.300 -0.076 0.000 2.937 86 W HA 0.043 4.703 4.660 -0.000 0.000 0.245 86 W C 1.454 177.925 176.519 -0.081 0.000 1.306 86 W CA -0.181 57.114 57.345 -0.083 0.000 1.470 86 W CB 0.515 29.888 29.460 -0.145 0.000 1.132 86 W HN 0.352 nan 8.180 nan 0.000 0.675 87 D N -0.599 119.848 120.400 0.080 0.000 2.183 87 D HA -0.062 4.578 4.640 -0.000 0.000 0.205 87 D C 2.108 178.381 176.300 -0.046 0.000 0.962 87 D CA 0.927 54.935 54.000 0.014 0.000 0.849 87 D CB -0.196 40.595 40.800 -0.015 0.000 0.978 87 D HN 0.023 nan 8.370 nan 0.000 0.488 88 L N 0.236 121.414 121.223 -0.075 0.000 2.095 88 L HA 0.020 4.360 4.340 -0.000 0.000 0.204 88 L C 2.135 178.955 176.870 -0.084 0.000 1.080 88 L CA 1.004 55.775 54.840 -0.116 0.000 0.759 88 L CB -0.625 41.365 42.059 -0.114 0.000 0.914 88 L HN 0.019 nan 8.230 nan 0.000 0.439 89 M N -0.640 118.892 119.600 -0.114 0.000 2.374 89 M HA -0.174 4.306 4.480 -0.000 0.000 0.264 89 M C 2.086 178.422 176.300 0.060 0.000 1.067 89 M CA 1.404 56.631 55.300 -0.122 0.000 1.103 89 M CB -0.325 32.077 32.600 -0.331 0.000 1.402 89 M HN 0.335 nan 8.290 nan 0.000 0.444 90 E N -0.563 119.695 120.200 0.097 0.000 2.076 90 E HA -0.146 4.204 4.350 -0.000 0.000 0.190 90 E C 2.021 178.747 176.600 0.211 0.000 0.979 90 E CA 0.766 57.272 56.400 0.177 0.000 0.807 90 E CB 0.073 29.843 29.700 0.116 0.000 0.761 90 E HN 0.524 nan 8.360 nan 0.000 0.454 91 R N -0.267 120.266 120.500 0.055 0.000 2.075 91 R HA -0.111 4.228 4.340 -0.000 0.000 0.232 91 R C 2.325 178.734 176.300 0.182 0.000 1.126 91 R CA 1.333 57.417 56.100 -0.026 0.000 0.963 91 R CB -0.555 29.348 30.300 -0.661 0.000 0.858 91 R HN 0.215 nan 8.270 nan 0.000 0.435 92 F N 1.415 121.359 119.950 -0.009 0.000 2.115 92 F HA -0.299 4.228 4.527 0.000 0.000 0.300 92 F C 2.258 178.122 175.800 0.107 0.000 1.092 92 F CA 1.517 59.558 58.000 0.069 0.000 1.245 92 F CB 0.011 38.999 39.000 -0.020 0.000 0.995 92 F HN -0.063 nan 8.300 nan 0.000 0.481 93 M N 0.046 119.878 119.600 0.387 0.000 2.229 93 M HA -0.187 4.293 4.480 -0.000 0.000 0.264 93 M C 2.069 178.407 176.300 0.064 0.000 1.063 93 M CA 1.454 56.888 55.300 0.223 0.000 1.114 93 M CB -1.237 31.531 32.600 0.280 0.000 1.387 93 M HN 0.284 nan 8.290 nan 0.000 0.420 94 E N -0.270 120.114 120.200 0.306 0.000 2.085 94 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 94 E C 2.059 178.813 176.600 0.257 0.000 0.994 94 E CA 1.286 57.904 56.400 0.364 0.000 0.801 94 E CB -0.029 29.970 29.700 0.499 0.000 0.743 94 E HN 0.584 nan 8.360 nan 0.000 0.453 95 Q N -0.236 119.682 119.800 0.195 0.000 2.212 95 Q HA -0.045 4.295 4.340 -0.000 0.000 0.199 95 Q C 2.216 178.261 176.000 0.075 0.000 0.950 95 Q CA 0.343 56.201 55.803 0.091 0.000 0.863 95 Q CB 0.427 29.183 28.738 0.030 0.000 0.944 95 Q HN 0.096 nan 8.270 nan 0.000 0.465 96 V N 0.859 120.755 119.914 -0.029 0.000 2.392 96 V HA -0.287 3.833 4.120 -0.000 0.000 0.249 96 V C 1.950 178.005 176.094 -0.066 0.000 1.059 96 V CA 1.651 63.903 62.300 -0.079 0.000 1.051 96 V CB -0.298 31.477 31.823 -0.080 0.000 0.658 96 V HN 0.367 nan 8.190 nan 0.000 0.455 97 I N -1.889 118.608 120.570 -0.122 0.000 2.296 97 I HA -0.083 4.087 4.170 -0.000 0.000 0.242 97 I C 1.994 177.917 176.117 -0.324 0.000 1.087 97 I CA 1.462 62.601 61.300 -0.268 0.000 1.393 97 I CB -0.164 37.511 38.000 -0.542 0.000 1.093 97 I HN 0.207 nan 8.210 nan 0.000 0.421 98 F N 0.489 120.378 119.950 -0.102 0.000 2.664 98 F HA 0.044 4.571 4.527 -0.000 0.000 0.296 98 F C 2.354 178.075 175.800 -0.133 0.000 1.125 98 F CA 0.719 58.671 58.000 -0.080 0.000 1.444 98 F CB 0.009 38.978 39.000 -0.052 0.000 1.114 98 F HN -0.116 nan 8.300 nan 0.000 0.576 99 K N -1.412 118.951 120.400 -0.062 0.000 2.313 99 K HA 0.023 4.343 4.320 -0.000 0.000 0.197 99 K C 1.231 177.454 176.600 -0.629 0.000 1.061 99 K CA 0.677 56.765 56.287 -0.332 0.000 0.980 99 K CB 0.162 32.398 32.500 -0.438 0.000 0.888 99 K HN 0.158 nan 8.250 nan 0.000 0.502 100 Y N 0.314 120.429 120.300 -0.308 0.000 2.351 100 Y HA 0.136 4.686 4.550 0.000 0.000 0.291 100 Y C 1.827 177.560 175.900 -0.280 0.000 1.153 100 Y CA 0.314 58.072 58.100 -0.570 0.000 1.193 100 Y CB 0.097 37.930 38.460 -1.045 0.000 1.187 100 Y HN -0.155 nan 8.280 nan 0.000 0.524 101 L N -0.168 121.023 121.223 -0.053 0.000 2.376 101 L HA -0.035 4.305 4.340 -0.000 0.000 0.219 101 L C 0.484 177.420 176.870 0.111 0.000 1.133 101 L CA 0.627 55.487 54.840 0.033 0.000 0.816 101 L CB -0.382 41.547 42.059 -0.217 0.000 0.933 101 L HN 0.206 nan 8.230 nan 0.000 0.449 102 R N -0.093 120.405 120.500 -0.005 0.000 3.387 102 R HA -0.181 4.158 4.340 -0.000 0.000 0.254 102 R C -0.034 176.277 176.300 0.018 0.000 1.006 102 R CA 0.332 56.434 56.100 0.003 0.000 0.677 102 R CB -1.700 28.628 30.300 0.048 0.000 1.063 102 R HN 0.378 nan 8.270 nan 0.000 0.453 103 A N 1.036 123.811 122.820 -0.076 0.000 2.324 103 A HA 0.443 4.763 4.320 -0.000 0.000 0.330 103 A C -0.135 177.377 177.584 -0.121 0.000 1.165 103 A CA -0.656 51.353 52.037 -0.046 0.000 0.813 103 A CB 1.360 20.195 19.000 -0.275 0.000 1.197 103 A HN 0.224 nan 8.150 nan 0.000 0.484 104 E N 3.725 123.989 120.200 0.107 0.000 1.996 104 E HA 0.254 4.604 4.350 -0.000 0.000 0.280 104 E C -1.686 175.040 176.600 0.210 0.000 1.092 104 E CA -2.296 54.154 56.400 0.084 0.000 0.862 104 E CB 0.698 30.498 29.700 0.166 0.000 1.066 104 E HN 0.335 nan 8.360 nan 0.000 0.396 105 P HA -0.228 nan 4.420 nan 0.000 0.219 105 P C 0.170 177.638 177.300 0.279 0.000 1.144 105 P CA 1.309 64.550 63.100 0.235 0.000 0.806 105 P CB 0.364 32.031 31.700 -0.055 0.000 0.771 106 E N -0.718 119.615 120.200 0.222 0.000 2.482 106 E HA -0.081 4.269 4.350 -0.000 0.000 0.196 106 E C 0.719 177.431 176.600 0.185 0.000 1.047 106 E CA 0.410 56.922 56.400 0.187 0.000 0.869 106 E CB -0.182 29.616 29.700 0.163 0.000 0.836 106 E HN 0.281 nan 8.360 nan 0.000 0.520 107 D N -0.773 119.754 120.400 0.212 0.000 2.398 107 D HA 0.087 4.727 4.640 -0.000 0.000 0.210 107 D C -0.095 176.184 176.300 -0.035 0.000 1.094 107 D CA 0.322 54.366 54.000 0.072 0.000 0.839 107 D CB 0.429 41.202 40.800 -0.046 0.000 0.963 107 D HN 0.163 nan 8.370 nan 0.000 0.506 108 H N -0.618 118.626 119.070 0.289 0.000 2.851 108 H HA 0.200 4.755 4.556 -0.000 0.000 0.372 108 H C -0.709 174.865 175.328 0.409 0.000 1.158 108 H CA -0.629 55.597 56.048 0.298 0.000 1.159 108 H CB 1.268 31.063 29.762 0.054 0.000 1.757 108 H HN -0.137 nan 8.280 nan 0.000 0.546 109 Y N 0.630 121.100 120.300 0.284 0.000 2.301 109 Y HA 0.201 4.751 4.550 -0.000 0.000 0.328 109 Y C -0.063 175.969 175.900 0.220 0.000 1.242 109 Y CA 0.097 58.354 58.100 0.262 0.000 1.323 109 Y CB 0.567 39.092 38.460 0.109 0.000 1.266 109 Y HN 0.377 nan 8.280 nan 0.000 0.527 110 F N 2.264 122.337 119.950 0.205 0.000 2.520 110 F HA 0.495 5.022 4.527 -0.000 0.000 0.322 110 F C -0.745 175.193 175.800 0.231 0.000 1.103 110 F CA -0.924 57.162 58.000 0.143 0.000 0.926 110 F CB 1.615 40.621 39.000 0.010 0.000 1.154 110 F HN 0.178 nan 8.300 nan 0.000 0.453 111 L N 5.642 127.048 121.223 0.305 0.000 2.316 111 L HA 0.608 4.948 4.340 -0.000 0.000 0.280 111 L C -1.570 175.410 176.870 0.183 0.000 1.006 111 L CA -0.342 54.671 54.840 0.289 0.000 0.836 111 L CB 0.627 42.742 42.059 0.093 0.000 1.221 111 L HN 0.547 nan 8.230 nan 0.000 0.418 112 L N 3.696 125.026 121.223 0.179 0.000 2.334 112 L HA 0.628 4.968 4.340 -0.000 0.000 0.273 112 L C 0.441 177.353 176.870 0.069 0.000 1.013 112 L CA -0.725 54.189 54.840 0.123 0.000 0.816 112 L CB 2.066 44.197 42.059 0.120 0.000 1.278 112 L HN 0.578 nan 8.230 nan 0.000 0.431 113 T N -1.240 113.350 114.554 0.059 0.000 2.912 113 T HA 0.633 4.983 4.350 -0.000 0.000 0.280 113 T C -0.508 174.204 174.700 0.021 0.000 0.989 113 T CA -0.760 61.357 62.100 0.029 0.000 0.995 113 T CB 1.921 70.813 68.868 0.040 0.000 1.077 113 T HN 0.773 nan 8.240 nan 0.000 0.531 114 E N -0.379 119.822 120.200 0.002 0.000 2.390 114 E HA 0.576 4.926 4.350 -0.000 0.000 0.277 114 E C -3.184 173.408 176.600 -0.013 0.000 0.939 114 E CA -2.486 53.918 56.400 0.007 0.000 0.769 114 E CB 2.027 31.735 29.700 0.012 0.000 1.251 114 E HN 0.407 nan 8.360 nan 0.000 0.450 115 P HA 0.300 nan 4.420 nan 0.000 0.279 115 P C -2.549 174.712 177.300 -0.065 0.000 1.252 115 P CA -1.837 61.228 63.100 -0.057 0.000 0.811 115 P CB 0.192 31.870 31.700 -0.036 0.000 1.035 116 P HA 0.112 nan 4.420 nan 0.000 0.271 116 P C 0.164 177.441 177.300 -0.039 0.000 1.216 116 P CA 0.282 63.324 63.100 -0.097 0.000 0.776 116 P CB 0.109 31.705 31.700 -0.175 0.000 0.881 117 L N -0.497 120.732 121.223 0.010 0.000 4.892 117 L HA -0.212 4.128 4.340 -0.000 0.000 0.403 117 L C 0.375 177.277 176.870 0.053 0.000 0.913 117 L CA 0.709 55.575 54.840 0.044 0.000 1.653 117 L CB -2.827 39.276 42.059 0.073 0.000 1.780 117 L HN 0.479 nan 8.230 nan 0.000 0.597 118 N N 0.627 119.354 118.700 0.045 0.000 2.458 118 N HA 0.303 5.043 4.740 -0.000 0.000 0.258 118 N C 0.697 176.244 175.510 0.061 0.000 1.219 118 N CA 0.934 54.023 53.050 0.066 0.000 0.902 118 N CB 0.713 39.237 38.487 0.062 0.000 1.076 118 N HN 0.353 nan 8.380 nan 0.000 0.455 119 T N 1.222 115.818 114.554 0.070 0.000 2.849 119 T HA 0.329 4.679 4.350 -0.000 0.000 0.284 119 T C -1.753 172.950 174.700 0.005 0.000 1.004 119 T CA -1.364 60.758 62.100 0.038 0.000 1.021 119 T CB 1.268 70.158 68.868 0.037 0.000 1.013 119 T HN 0.349 nan 8.240 nan 0.000 0.527 120 P HA 0.031 nan 4.420 nan 0.000 0.219 120 P C 1.234 178.446 177.300 -0.147 0.000 1.150 120 P CA 0.711 63.779 63.100 -0.055 0.000 0.814 120 P CB 0.070 31.744 31.700 -0.043 0.000 0.787 121 E N -0.283 119.795 120.200 -0.204 0.000 2.058 121 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 121 E C 1.753 177.901 176.600 -0.753 0.000 0.997 121 E CA 1.450 57.571 56.400 -0.465 0.000 0.801 121 E CB -1.271 28.202 29.700 -0.378 0.000 0.746 121 E HN 0.375 nan 8.360 nan 0.000 0.450 122 N N 0.178 118.679 118.700 -0.332 0.000 2.069 122 N HA -0.156 4.584 4.740 -0.000 0.000 0.191 122 N C 1.763 177.254 175.510 -0.031 0.000 1.031 122 N CA 0.927 53.955 53.050 -0.038 0.000 0.852 122 N CB -0.098 38.583 38.487 0.323 0.000 1.018 122 N HN 0.062 nan 8.380 nan 0.000 0.423 123 R N 1.089 121.572 120.500 -0.028 0.000 2.127 123 R HA -0.130 4.210 4.340 -0.000 0.000 0.238 123 R C 1.690 177.964 176.300 -0.043 0.000 1.134 123 R CA 1.069 57.175 56.100 0.008 0.000 0.975 123 R CB -0.191 30.105 30.300 -0.007 0.000 0.865 123 R HN 0.457 nan 8.270 nan 0.000 0.447 124 E N -0.411 119.677 120.200 -0.186 0.000 2.152 124 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 124 E C 1.621 178.133 176.600 -0.145 0.000 0.983 124 E CA 0.871 57.169 56.400 -0.171 0.000 0.818 124 E CB 0.022 29.557 29.700 -0.275 0.000 0.758 124 E HN 0.507 nan 8.360 nan 0.000 0.467 125 Y N 0.443 120.565 120.300 -0.297 0.000 2.184 125 Y HA -0.172 4.377 4.550 -0.000 0.000 0.290 125 Y C 2.771 178.478 175.900 -0.322 0.000 1.129 125 Y CA 0.855 58.595 58.100 -0.599 0.000 1.144 125 Y CB -0.121 37.379 38.460 -1.600 0.000 0.995 125 Y HN 0.021 nan 8.280 nan 0.000 0.513 126 T N 0.120 114.714 114.554 0.068 0.000 2.720 126 T HA -0.252 4.098 4.350 -0.000 0.000 0.268 126 T C 2.102 176.876 174.700 0.124 0.000 1.037 126 T CA 1.269 63.529 62.100 0.266 0.000 1.144 126 T CB -0.523 68.517 68.868 0.287 0.000 0.864 126 T HN 0.462 nan 8.240 nan 0.000 0.444 127 A N 1.263 124.142 122.820 0.098 0.000 1.873 127 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 127 A C 2.231 179.869 177.584 0.089 0.000 1.186 127 A CA 1.753 53.862 52.037 0.121 0.000 0.616 127 A CB -0.652 18.494 19.000 0.244 0.000 0.823 127 A HN 0.585 nan 8.150 nan 0.000 0.442 128 E N -0.064 120.210 120.200 0.123 0.000 2.070 128 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 128 E C 1.903 178.519 176.600 0.025 0.000 1.004 128 E CA 1.624 58.099 56.400 0.124 0.000 0.805 128 E CB -0.248 29.514 29.700 0.103 0.000 0.744 128 E HN 0.679 nan 8.360 nan 0.000 0.451 129 I N 0.403 120.981 120.570 0.015 0.000 2.142 129 I HA -0.309 3.861 4.170 -0.000 0.000 0.240 129 I C 2.564 178.618 176.117 -0.106 0.000 1.078 129 I CA 0.903 62.180 61.300 -0.038 0.000 1.343 129 I CB -0.306 37.752 38.000 0.097 0.000 1.046 129 I HN 0.258 nan 8.210 nan 0.000 0.405 130 M N -0.191 119.356 119.600 -0.088 0.000 2.117 130 M HA -0.171 4.309 4.480 -0.000 0.000 0.262 130 M C 2.279 178.356 176.300 -0.372 0.000 1.065 130 M CA 2.008 57.172 55.300 -0.227 0.000 1.114 130 M CB -1.204 31.132 32.600 -0.440 0.000 1.361 130 M HN 0.147 nan 8.290 nan 0.000 0.408 131 F N 0.394 120.178 119.950 -0.277 0.000 2.387 131 F HA 0.008 4.535 4.527 -0.000 0.000 0.294 131 F C 2.457 178.153 175.800 -0.173 0.000 1.093 131 F CA 0.656 58.456 58.000 -0.333 0.000 1.420 131 F CB -0.308 38.168 39.000 -0.873 0.000 1.086 131 F HN 0.151 nan 8.300 nan 0.000 0.531 132 E N -0.421 119.797 120.200 0.031 0.000 2.086 132 E HA -0.026 4.324 4.350 -0.000 0.000 0.190 132 E C 2.184 178.736 176.600 -0.079 0.000 0.975 132 E CA 1.100 57.515 56.400 0.024 0.000 0.813 132 E CB -0.397 29.325 29.700 0.036 0.000 0.768 132 E HN 0.214 nan 8.360 nan 0.000 0.457 133 S N 0.055 115.614 115.700 -0.234 0.000 2.427 133 S HA 0.069 4.539 4.470 -0.000 0.000 0.224 133 S C 1.286 175.626 174.600 -0.434 0.000 1.047 133 S CA 0.412 58.338 58.200 -0.456 0.000 0.953 133 S CB 0.034 62.724 63.200 -0.850 0.000 0.824 133 S HN 0.115 nan 8.310 nan 0.000 0.502 134 F N 1.526 121.464 119.950 -0.019 0.000 2.704 134 F HA 0.390 4.917 4.527 -0.000 0.000 0.304 134 F C 0.439 176.229 175.800 -0.017 0.000 1.094 134 F CA -0.635 57.361 58.000 -0.007 0.000 1.275 134 F CB -0.416 38.522 39.000 -0.105 0.000 1.073 134 F HN -0.006 nan 8.300 nan 0.000 0.586 135 N N 0.430 119.193 118.700 0.105 0.000 2.735 135 N HA -0.154 4.586 4.740 -0.000 0.000 0.248 135 N C -0.161 175.389 175.510 0.067 0.000 1.083 135 N CA 0.836 53.948 53.050 0.103 0.000 0.703 135 N CB -2.130 36.437 38.487 0.133 0.000 1.005 135 N HN 0.275 nan 8.380 nan 0.000 0.550 136 V N -1.522 118.339 119.914 -0.088 0.000 2.763 136 V HA 0.205 4.325 4.120 -0.000 0.000 0.306 136 V C -0.409 175.643 176.094 -0.070 0.000 1.059 136 V CA -0.705 61.517 62.300 -0.130 0.000 1.138 136 V CB 0.967 32.558 31.823 -0.387 0.000 0.940 136 V HN -0.003 nan 8.190 nan 0.000 0.489 137 P HA 0.224 nan 4.420 nan 0.000 0.227 137 P C 0.608 177.655 177.300 -0.421 0.000 1.161 137 P CA 1.279 64.323 63.100 -0.093 0.000 0.788 137 P CB 0.429 32.136 31.700 0.013 0.000 0.822 138 G N -0.313 108.045 108.800 -0.735 0.000 2.732 138 G HA2 0.525 4.485 3.960 -0.000 0.000 0.296 138 G HA3 0.525 4.485 3.960 -0.000 0.000 0.296 138 G C -2.575 172.145 174.900 -0.302 0.000 1.448 138 G CA -0.311 44.322 45.100 -0.778 0.000 0.911 138 G HN 0.162 nan 8.290 nan 0.000 0.528 139 L N 0.786 122.025 121.223 0.028 0.000 2.445 139 L HA 0.881 5.221 4.340 -0.000 0.000 0.262 139 L C -2.046 175.005 176.870 0.303 0.000 0.974 139 L CA -1.067 53.847 54.840 0.123 0.000 0.822 139 L CB 2.279 44.307 42.059 -0.053 0.000 1.339 139 L HN 0.670 nan 8.230 nan 0.000 0.409 140 Y N 5.138 125.553 120.300 0.193 0.000 2.354 140 Y HA 0.642 5.192 4.550 -0.000 0.000 0.330 140 Y C -1.285 174.743 175.900 0.213 0.000 1.011 140 Y CA -0.899 57.328 58.100 0.211 0.000 1.099 140 Y CB 1.394 40.020 38.460 0.277 0.000 1.179 140 Y HN 0.514 nan 8.280 nan 0.000 0.442 141 I N 6.658 127.011 120.570 -0.362 0.000 2.306 141 I HA 0.529 4.699 4.170 -0.000 0.000 0.288 141 I C 0.036 175.829 176.117 -0.540 0.000 1.036 141 I CA -0.591 60.548 61.300 -0.268 0.000 1.221 141 I CB 0.740 38.683 38.000 -0.095 0.000 1.385 141 I HN 0.776 nan 8.210 nan 0.000 0.472 142 A N 6.079 128.693 122.820 -0.345 0.000 2.304 142 A HA 0.500 4.820 4.320 -0.000 0.000 0.301 142 A C -0.325 177.203 177.584 -0.092 0.000 1.132 142 A CA -0.481 51.435 52.037 -0.202 0.000 0.819 142 A CB 1.483 20.561 19.000 0.130 0.000 1.094 142 A HN 0.519 nan 8.150 nan 0.000 0.492 143 V N 3.597 123.468 119.914 -0.072 0.000 2.389 143 V HA 0.092 4.212 4.120 -0.000 0.000 0.264 143 V C 1.154 177.217 176.094 -0.052 0.000 1.049 143 V CA 0.130 62.399 62.300 -0.051 0.000 0.932 143 V CB 0.013 31.815 31.823 -0.035 0.000 1.011 143 V HN 1.075 nan 8.190 nan 0.000 0.475 144 Q N 4.921 124.696 119.800 -0.042 0.000 2.103 144 Q HA -0.309 4.031 4.340 -0.000 0.000 0.213 144 Q C 2.232 178.205 176.000 -0.046 0.000 1.008 144 Q CA 2.942 58.725 55.803 -0.034 0.000 0.879 144 Q CB -0.360 28.362 28.738 -0.026 0.000 0.946 144 Q HN 1.038 nan 8.270 nan 0.000 0.413 145 A N -0.069 122.719 122.820 -0.053 0.000 1.917 145 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 145 A C 2.321 179.864 177.584 -0.069 0.000 1.182 145 A CA 1.847 53.854 52.037 -0.049 0.000 0.633 145 A CB -0.841 18.133 19.000 -0.044 0.000 0.819 145 A HN 0.262 nan 8.150 nan 0.000 0.448 146 V N 0.142 120.003 119.914 -0.089 0.000 2.295 146 V HA -0.263 3.856 4.120 -0.000 0.000 0.246 146 V C 2.569 178.541 176.094 -0.203 0.000 1.049 146 V CA 1.948 64.166 62.300 -0.136 0.000 1.024 146 V CB -0.816 30.917 31.823 -0.150 0.000 0.648 146 V HN 0.582 nan 8.190 nan 0.000 0.447 147 L N 0.259 121.374 121.223 -0.180 0.000 2.042 147 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 147 L C 2.797 179.543 176.870 -0.206 0.000 1.076 147 L CA 1.684 56.391 54.840 -0.223 0.000 0.749 147 L CB -0.980 40.991 42.059 -0.148 0.000 0.893 147 L HN 0.373 nan 8.230 nan 0.000 0.432 148 A N 0.244 122.999 122.820 -0.108 0.000 1.948 148 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 148 A C 2.282 179.792 177.584 -0.124 0.000 1.177 148 A CA 1.659 53.668 52.037 -0.047 0.000 0.636 148 A CB -0.713 18.289 19.000 0.003 0.000 0.815 148 A HN 0.378 nan 8.150 nan 0.000 0.449 149 L N -1.100 120.012 121.223 -0.185 0.000 2.027 149 L HA -0.167 4.173 4.340 -0.000 0.000 0.206 149 L C 3.092 179.589 176.870 -0.622 0.000 1.074 149 L CA 1.101 55.803 54.840 -0.230 0.000 0.745 149 L CB -0.563 41.418 42.059 -0.131 0.000 0.898 149 L HN 0.430 nan 8.230 nan 0.000 0.433 150 A N -0.112 122.146 122.820 -0.937 0.000 2.019 150 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 150 A C 2.457 179.393 177.584 -1.080 0.000 1.164 150 A CA 1.499 52.406 52.037 -1.883 0.000 0.644 150 A CB -0.559 17.562 19.000 -1.465 0.000 0.805 150 A HN 0.415 nan 8.150 nan 0.000 0.449 151 A N 0.361 122.875 122.820 -0.510 0.000 2.015 151 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 151 A C 2.400 179.747 177.584 -0.395 0.000 1.163 151 A CA 1.919 53.884 52.037 -0.120 0.000 0.646 151 A CB -0.779 18.276 19.000 0.093 0.000 0.806 151 A HN 0.952 nan 8.150 nan 0.000 0.448 152 S N -1.589 113.816 115.700 -0.492 0.000 2.453 152 S HA -0.141 4.328 4.470 -0.000 0.000 0.231 152 S C 1.419 176.019 174.600 -0.000 0.000 1.005 152 S CA 0.669 58.632 58.200 -0.394 0.000 0.949 152 S CB -0.690 62.460 63.200 -0.084 0.000 0.774 152 S HN 0.664 nan 8.310 nan 0.000 0.510 153 W N 2.361 123.619 121.300 -0.070 0.000 2.560 153 W HA 0.095 4.755 4.660 -0.000 0.000 0.252 153 W C 2.201 178.723 176.519 0.004 0.000 1.242 153 W CA 0.294 57.630 57.345 -0.016 0.000 1.242 153 W CB -1.910 27.550 29.460 -0.001 0.000 1.136 153 W HN 0.333 nan 8.180 nan 0.000 0.625 154 T N -0.458 114.204 114.554 0.179 0.000 2.995 154 T HA -0.062 4.288 4.350 -0.000 0.000 0.269 154 T C 1.240 176.002 174.700 0.104 0.000 1.091 154 T CA 0.974 63.147 62.100 0.122 0.000 1.128 154 T CB 0.078 68.945 68.868 -0.002 0.000 0.891 154 T HN 0.009 nan 8.240 nan 0.000 0.492 162 T N -0.362 114.071 114.554 -0.200 0.000 2.774 162 T HA 0.504 4.854 4.350 -0.000 0.000 0.325 162 T C -1.284 173.648 174.700 0.386 0.000 1.753 162 T CA 0.063 62.220 62.100 0.095 0.000 1.024 162 T CB 1.058 69.971 68.868 0.075 0.000 1.628 162 T HN 0.872 nan 8.240 nan 0.000 0.497 163 L N 1.963 123.328 121.223 0.237 0.000 3.168 163 L HA 0.348 4.688 4.340 -0.000 0.000 0.277 163 L C 0.011 176.940 176.870 0.098 0.000 1.245 163 L CA -0.211 54.738 54.840 0.183 0.000 1.035 163 L CB 0.900 43.026 42.059 0.112 0.000 1.399 163 L HN 0.616 nan 8.230 nan 0.000 0.580 164 T N 0.238 114.856 114.554 0.107 0.000 2.779 164 T HA 0.775 5.125 4.350 -0.000 0.000 0.280 164 T C 0.182 174.928 174.700 0.075 0.000 0.987 164 T CA -0.476 61.670 62.100 0.077 0.000 0.966 164 T CB 2.078 70.988 68.868 0.070 0.000 0.933 164 T HN 0.373 nan 8.240 nan 0.000 0.442 165 G N 1.425 110.257 108.800 0.053 0.000 2.321 165 G HA2 0.421 4.381 3.960 -0.000 0.000 0.298 165 G HA3 0.421 4.381 3.960 -0.000 0.000 0.298 165 G C -1.196 173.720 174.900 0.026 0.000 1.385 165 G CA -0.847 44.282 45.100 0.048 0.000 0.856 165 G HN 0.591 nan 8.290 nan 0.000 0.584 166 T N 0.463 115.029 114.554 0.021 0.000 2.767 166 T HA 0.538 4.888 4.350 -0.000 0.000 0.288 166 T C -0.140 174.577 174.700 0.028 0.000 0.963 166 T CA -0.245 61.860 62.100 0.008 0.000 1.019 166 T CB 1.468 70.327 68.868 -0.014 0.000 0.923 166 T HN 0.648 nan 8.240 nan 0.000 0.468 167 V N 5.681 125.609 119.914 0.024 0.000 2.313 167 V HA 0.367 4.487 4.120 -0.000 0.000 0.278 167 V C 0.111 176.226 176.094 0.035 0.000 1.017 167 V CA -0.712 61.606 62.300 0.030 0.000 0.823 167 V CB 0.765 32.597 31.823 0.016 0.000 1.010 167 V HN 0.824 nan 8.190 nan 0.000 0.443 168 I N 4.101 124.697 120.570 0.044 0.000 2.294 168 I HA 0.248 4.418 4.170 -0.000 0.000 0.295 168 I C 0.014 176.148 176.117 0.028 0.000 1.098 168 I CA 0.148 61.474 61.300 0.043 0.000 1.277 168 I CB 0.517 38.553 38.000 0.060 0.000 1.434 168 I HN 0.587 nan 8.210 nan 0.000 0.498 169 D N 4.665 125.091 120.400 0.045 0.000 2.217 169 D HA 0.423 5.063 4.640 -0.000 0.000 0.243 169 D C -0.755 175.580 176.300 0.059 0.000 1.054 169 D CA -0.123 53.902 54.000 0.042 0.000 0.838 169 D CB 1.293 42.125 40.800 0.054 0.000 1.162 169 D HN 0.332 nan 8.370 nan 0.000 0.472 170 S N 2.147 117.862 115.700 0.024 0.000 2.668 170 S HA 0.701 5.171 4.470 -0.000 0.000 0.277 170 S C -0.049 174.580 174.600 0.048 0.000 1.170 170 S CA -0.331 57.907 58.200 0.062 0.000 0.994 170 S CB 1.030 64.277 63.200 0.078 0.000 1.051 170 S HN 0.594 nan 8.310 nan 0.000 0.484 171 G N 2.654 111.496 108.800 0.071 0.000 3.387 171 G HA2 0.290 4.250 3.960 -0.000 0.000 0.194 171 G HA3 0.290 4.250 3.960 -0.000 0.000 0.194 171 G C 0.118 175.041 174.900 0.038 0.000 1.417 171 G CA 0.177 45.310 45.100 0.056 0.000 0.777 171 G HN 0.609 nan 8.290 nan 0.000 0.721 172 D N -1.257 119.140 120.400 -0.005 0.000 2.431 172 D HA 0.152 4.792 4.640 -0.000 0.000 0.235 172 D C 2.315 178.576 176.300 -0.065 0.000 0.980 172 D CA 1.289 55.256 54.000 -0.054 0.000 0.912 172 D CB -0.058 40.652 40.800 -0.151 0.000 1.056 172 D HN 0.340 nan 8.370 nan 0.000 0.494 173 G N 0.043 108.811 108.800 -0.055 0.000 2.505 173 G HA2 0.152 4.112 3.960 -0.000 0.000 0.214 173 G HA3 0.152 4.112 3.960 -0.000 0.000 0.214 173 G C 0.401 175.295 174.900 -0.011 0.000 1.237 173 G CA 0.914 45.989 45.100 -0.043 0.000 0.802 173 G HN 0.226 nan 8.290 nan 0.000 0.549 174 V N -1.754 118.176 119.914 0.027 0.000 3.258 174 V HA 0.497 4.617 4.120 -0.000 0.000 0.299 174 V C -0.831 175.273 176.094 0.015 0.000 1.376 174 V CA -0.789 61.506 62.300 -0.007 0.000 1.063 174 V CB 2.027 33.835 31.823 -0.025 0.000 1.103 174 V HN 0.260 nan 8.190 nan 0.000 0.451 175 T N 0.764 115.290 114.554 -0.048 0.000 2.895 175 T HA 0.722 5.072 4.350 -0.000 0.000 0.283 175 T C -1.138 173.429 174.700 -0.222 0.000 1.014 175 T CA -0.329 61.767 62.100 -0.007 0.000 1.037 175 T CB 1.057 70.003 68.868 0.130 0.000 1.006 175 T HN 0.693 nan 8.240 nan 0.000 0.468 176 H N -0.357 118.688 119.070 -0.042 0.000 2.747 176 H HA 0.650 5.206 4.556 0.000 0.000 0.371 176 H C -0.929 174.364 175.328 -0.058 0.000 1.161 176 H CA -0.656 55.325 56.048 -0.111 0.000 1.167 176 H CB 1.569 31.239 29.762 -0.154 0.000 1.732 176 H HN 0.303 nan 8.280 nan 0.000 0.544 177 V N 3.870 123.820 119.914 0.060 0.000 2.325 177 V HA 0.292 4.412 4.120 -0.000 0.000 0.280 177 V C -0.585 175.529 176.094 0.032 0.000 1.016 177 V CA -0.418 61.906 62.300 0.039 0.000 0.818 177 V CB 0.416 32.255 31.823 0.027 0.000 1.019 177 V HN 0.526 nan 8.190 nan 0.000 0.434 178 I N 8.133 128.719 120.570 0.027 0.000 2.354 178 I HA 0.409 4.579 4.170 -0.000 0.000 0.286 178 I C -2.234 173.887 176.117 0.007 0.000 1.007 178 I CA -1.867 59.439 61.300 0.010 0.000 1.167 178 I CB 2.248 40.242 38.000 -0.010 0.000 1.320 178 I HN 0.390 nan 8.210 nan 0.000 0.458 179 P HA 0.206 nan 4.420 nan 0.000 0.287 179 P C -0.875 176.436 177.300 0.018 0.000 1.281 179 P CA -0.231 62.870 63.100 0.002 0.000 0.781 179 P CB 1.520 33.215 31.700 -0.008 0.000 0.903 180 V N 3.328 123.255 119.914 0.022 0.000 2.444 180 V HA 0.600 4.720 4.120 -0.000 0.000 0.294 180 V C 0.275 176.398 176.094 0.048 0.000 1.022 180 V CA -0.841 61.480 62.300 0.034 0.000 0.850 180 V CB 1.550 33.383 31.823 0.016 0.000 0.992 180 V HN 0.679 nan 8.190 nan 0.000 0.426 181 A N 3.349 126.212 122.820 0.072 0.000 2.267 181 A HA 0.702 5.022 4.320 -0.000 0.000 0.315 181 A C 0.357 178.008 177.584 0.111 0.000 1.297 181 A CA -0.474 51.613 52.037 0.083 0.000 0.865 181 A CB -0.007 19.043 19.000 0.083 0.000 1.165 181 A HN 1.036 nan 8.150 nan 0.000 0.513 182 E N 1.719 121.972 120.200 0.089 0.000 2.210 182 E HA -0.267 4.083 4.350 -0.000 0.000 0.201 182 E C 1.119 177.739 176.600 0.033 0.000 1.339 182 E CA 1.044 57.497 56.400 0.088 0.000 0.699 182 E CB -1.550 28.223 29.700 0.122 0.000 1.126 182 E HN 2.105 nan 8.360 nan 0.000 0.355 183 G N -0.978 107.791 108.800 -0.051 0.000 2.267 183 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.257 183 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.257 183 G C -0.187 174.453 174.900 -0.434 0.000 0.998 183 G CA 0.626 45.571 45.100 -0.260 0.000 0.620 183 G HN 0.352 nan 8.290 nan 0.000 0.529 184 Y N 0.009 120.343 120.300 0.058 0.000 2.393 184 Y HA 0.613 5.163 4.550 -0.000 0.000 0.341 184 Y C 0.706 176.627 175.900 0.036 0.000 0.988 184 Y CA -1.029 57.103 58.100 0.054 0.000 1.078 184 Y CB 2.059 40.559 38.460 0.066 0.000 1.203 184 Y HN 0.099 nan 8.280 nan 0.000 0.453 185 V N 4.651 124.672 119.914 0.177 0.000 2.715 185 V HA 0.067 4.187 4.120 -0.000 0.000 0.299 185 V C 0.456 176.611 176.094 0.101 0.000 1.054 185 V CA -0.315 62.045 62.300 0.100 0.000 1.077 185 V CB 0.775 32.636 31.823 0.062 0.000 0.972 185 V HN 0.607 nan 8.190 nan 0.000 0.484 186 I N 4.581 125.191 120.570 0.068 0.000 2.213 186 I HA 0.145 4.315 4.170 -0.000 0.000 0.295 186 I C 1.817 177.961 176.117 0.045 0.000 1.172 186 I CA 0.172 61.505 61.300 0.054 0.000 1.443 186 I CB 0.036 38.059 38.000 0.039 0.000 1.491 186 I HN 0.877 nan 8.210 nan 0.000 0.652 187 G N 3.487 112.317 108.800 0.049 0.000 2.624 187 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.221 187 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.221 187 G C 1.680 176.606 174.900 0.043 0.000 1.169 187 G CA 1.438 46.565 45.100 0.045 0.000 0.771 187 G HN 0.626 nan 8.290 nan 0.000 0.598 188 S N -1.099 114.623 115.700 0.038 0.000 2.500 188 S HA -0.074 4.396 4.470 -0.000 0.000 0.239 188 S C 1.617 176.240 174.600 0.037 0.000 0.989 188 S CA 1.228 59.450 58.200 0.036 0.000 0.951 188 S CB -0.498 62.719 63.200 0.028 0.000 0.759 188 S HN 0.388 nan 8.310 nan 0.000 0.523 189 C N 1.223 120.543 119.300 0.035 0.000 3.000 189 C HA 0.537 4.997 4.460 -0.000 0.000 0.286 189 C C 0.827 175.837 174.990 0.032 0.000 1.343 189 C CA -1.236 57.800 59.018 0.030 0.000 1.742 189 C CB -1.544 26.207 27.740 0.018 0.000 2.200 189 C HN 0.550 nan 8.230 nan 0.000 0.621 190 I N 1.423 122.018 120.570 0.042 0.000 2.945 190 I HA 0.234 4.404 4.170 -0.000 0.000 0.292 190 I C 0.114 176.262 176.117 0.053 0.000 1.093 190 I CA 0.570 61.894 61.300 0.039 0.000 1.336 190 I CB 0.577 38.600 38.000 0.039 0.000 1.435 190 I HN 0.018 nan 8.210 nan 0.000 0.593 191 K N 1.783 122.197 120.400 0.023 0.000 2.543 191 K HA 0.431 4.751 4.320 -0.000 0.000 0.255 191 K C -1.384 175.176 176.600 -0.065 0.000 0.934 191 K CA -0.642 55.673 56.287 0.047 0.000 0.810 191 K CB 1.296 33.833 32.500 0.062 0.000 1.315 191 K HN 0.378 nan 8.250 nan 0.000 0.433 192 H N 1.938 120.942 119.070 -0.110 0.000 2.467 192 H HA 0.523 5.078 4.556 -0.000 0.000 0.331 192 H C -0.332 174.828 175.328 -0.279 0.000 1.120 192 H CA -0.286 55.592 56.048 -0.284 0.000 1.270 192 H CB 0.885 30.467 29.762 -0.300 0.000 1.466 192 H HN 0.312 nan 8.280 nan 0.000 0.504 193 I N 4.224 124.664 120.570 -0.216 0.000 2.382 193 I HA 0.200 4.370 4.170 -0.000 0.000 0.286 193 I C -1.915 173.946 176.117 -0.427 0.000 1.002 193 I CA -2.149 58.932 61.300 -0.365 0.000 1.135 193 I CB 2.226 40.173 38.000 -0.088 0.000 1.288 193 I HN 0.459 nan 8.210 nan 0.000 0.448 194 P HA 0.016 nan 4.420 nan 0.000 0.261 194 P C -0.506 176.599 177.300 -0.325 0.000 1.288 194 P CA 0.923 63.736 63.100 -0.479 0.000 0.751 194 P CB -0.262 31.097 31.700 -0.568 0.000 1.103 195 I N -0.433 119.961 120.570 -0.293 0.000 2.499 195 I HA 0.594 4.764 4.170 -0.000 0.000 0.288 195 I C 0.016 175.956 176.117 -0.294 0.000 1.048 195 I CA -0.715 60.386 61.300 -0.331 0.000 1.062 195 I CB 1.898 39.614 38.000 -0.474 0.000 1.238 195 I HN -0.178 nan 8.210 nan 0.000 0.426 196 A N 3.664 126.335 122.820 -0.250 0.000 2.568 196 A HA 0.728 5.048 4.320 -0.000 0.000 0.291 196 A C 1.011 178.556 177.584 -0.064 0.000 1.159 196 A CA -0.098 51.890 52.037 -0.081 0.000 0.679 196 A CB 0.202 19.194 19.000 -0.014 0.000 1.285 196 A HN 0.766 nan 8.150 nan 0.000 0.428 197 G N -0.074 108.753 108.800 0.046 0.000 2.574 197 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.220 197 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.220 197 G C 1.464 176.386 174.900 0.037 0.000 1.173 197 G CA 1.699 46.843 45.100 0.073 0.000 0.772 197 G HN 0.858 nan 8.290 nan 0.000 0.585 198 R N 0.181 120.675 120.500 -0.011 0.000 2.103 198 R HA -0.124 4.216 4.340 -0.000 0.000 0.242 198 R C 2.208 178.523 176.300 0.026 0.000 1.142 198 R CA 1.963 58.053 56.100 -0.018 0.000 0.960 198 R CB -0.244 30.011 30.300 -0.075 0.000 0.858 198 R HN 0.368 nan 8.270 nan 0.000 0.439 199 D N 0.041 120.435 120.400 -0.011 0.000 2.117 199 D HA -0.131 4.509 4.640 -0.000 0.000 0.198 199 D C 1.923 178.277 176.300 0.089 0.000 0.982 199 D CA 1.193 55.202 54.000 0.015 0.000 0.828 199 D CB -0.084 40.654 40.800 -0.104 0.000 0.967 199 D HN 0.341 nan 8.370 nan 0.000 0.464 200 I N 1.218 121.811 120.570 0.038 0.000 2.454 200 I HA -0.204 3.966 4.170 -0.000 0.000 0.254 200 I C 2.193 178.421 176.117 0.186 0.000 1.156 200 I CA 0.911 62.278 61.300 0.111 0.000 1.433 200 I CB -0.211 37.865 38.000 0.126 0.000 1.082 200 I HN -0.032 nan 8.210 nan 0.000 0.432 201 T N -0.408 114.238 114.554 0.154 0.000 2.809 201 T HA -0.192 4.158 4.350 -0.000 0.000 0.260 201 T C 1.786 176.559 174.700 0.121 0.000 1.039 201 T CA 0.982 63.157 62.100 0.124 0.000 1.141 201 T CB -0.436 68.490 68.868 0.096 0.000 0.869 201 T HN 0.324 nan 8.240 nan 0.000 0.437 202 Y N 1.017 121.354 120.300 0.062 0.000 2.274 202 Y HA -0.113 4.437 4.550 -0.000 0.000 0.290 202 Y C 1.940 177.912 175.900 0.120 0.000 1.145 202 Y CA 0.782 58.919 58.100 0.062 0.000 1.203 202 Y CB -0.383 38.103 38.460 0.043 0.000 0.984 202 Y HN 0.170 nan 8.280 nan 0.000 0.533 203 F N 0.412 120.361 119.950 -0.002 0.000 2.060 203 F HA -0.175 4.352 4.527 0.000 0.000 0.295 203 F C 2.108 177.843 175.800 -0.108 0.000 1.120 203 F CA 1.624 59.596 58.000 -0.047 0.000 1.205 203 F CB -0.847 38.172 39.000 0.033 0.000 0.986 203 F HN -0.002 nan 8.300 nan 0.000 0.470 204 I N 0.230 120.738 120.570 -0.102 0.000 2.423 204 I HA -0.343 3.827 4.170 -0.000 0.000 0.254 204 I C 2.481 178.470 176.117 -0.213 0.000 1.151 204 I CA 1.603 62.787 61.300 -0.194 0.000 1.421 204 I CB -0.617 37.358 38.000 -0.041 0.000 1.079 204 I HN 0.377 nan 8.210 nan 0.000 0.431 205 Q N 0.829 120.504 119.800 -0.209 0.000 2.079 205 Q HA -0.232 4.108 4.340 -0.000 0.000 0.200 205 Q C 2.195 178.024 176.000 -0.284 0.000 0.974 205 Q CA 1.403 57.071 55.803 -0.225 0.000 0.840 205 Q CB 0.074 28.664 28.738 -0.246 0.000 0.898 205 Q HN 0.569 nan 8.270 nan 0.000 0.430 206 Q N 0.213 119.780 119.800 -0.389 0.000 2.046 206 Q HA -0.125 4.215 4.340 -0.000 0.000 0.200 206 Q C 2.350 178.186 176.000 -0.273 0.000 0.975 206 Q CA 1.254 56.862 55.803 -0.325 0.000 0.836 206 Q CB -0.123 28.427 28.738 -0.313 0.000 0.896 206 Q HN 0.401 nan 8.270 nan 0.000 0.428 207 L N 0.617 121.618 121.223 -0.371 0.000 2.051 207 L HA -0.276 4.064 4.340 -0.000 0.000 0.214 207 L C 2.384 179.139 176.870 -0.192 0.000 1.076 207 L CA 1.238 55.889 54.840 -0.315 0.000 0.758 207 L CB -0.488 41.322 42.059 -0.415 0.000 0.890 207 L HN 0.286 nan 8.230 nan 0.000 0.433 208 L N -1.076 120.041 121.223 -0.176 0.000 2.072 208 L HA -0.174 4.166 4.340 -0.000 0.000 0.205 208 L C 2.762 179.574 176.870 -0.097 0.000 1.079 208 L CA 1.077 55.849 54.840 -0.113 0.000 0.752 208 L CB -0.424 41.581 42.059 -0.090 0.000 0.906 208 L HN 0.166 nan 8.230 nan 0.000 0.436 209 R N 0.112 120.543 120.500 -0.116 0.000 2.127 209 R HA -0.165 4.175 4.340 -0.000 0.000 0.238 209 R C 1.343 177.598 176.300 -0.076 0.000 1.134 209 R CA 1.490 57.533 56.100 -0.095 0.000 0.975 209 R CB -0.284 29.952 30.300 -0.106 0.000 0.865 209 R HN 0.412 nan 8.270 nan 0.000 0.447 210 D N -0.980 119.370 120.400 -0.083 0.000 2.340 210 D HA -0.035 4.605 4.640 -0.000 0.000 0.220 210 D C 1.407 177.679 176.300 -0.047 0.000 1.039 210 D CA 0.528 54.491 54.000 -0.061 0.000 0.866 210 D CB 0.347 41.109 40.800 -0.064 0.000 0.913 210 D HN 0.238 nan 8.370 nan 0.000 0.523 211 R N 0.005 120.473 120.500 -0.052 0.000 2.562 211 R HA 0.038 4.378 4.340 -0.000 0.000 0.191 211 R C -0.337 175.944 176.300 -0.031 0.000 0.835 211 R CA 0.008 56.084 56.100 -0.040 0.000 1.036 211 R CB 0.906 31.175 30.300 -0.053 0.000 1.437 211 R HN -0.124 nan 8.270 nan 0.000 0.654 212 E N 2.377 122.558 120.200 -0.032 0.000 2.175 212 E HA 0.212 4.562 4.350 -0.000 0.000 0.278 212 E C -0.299 176.291 176.600 -0.017 0.000 0.969 212 E CA -0.412 55.982 56.400 -0.011 0.000 0.796 212 E CB 2.199 31.905 29.700 0.011 0.000 1.104 212 E HN 0.167 nan 8.360 nan 0.000 0.395 213 V N -1.344 118.566 119.914 -0.007 0.000 2.966 213 V HA 0.850 4.970 4.120 -0.000 0.000 0.317 213 V C 1.022 177.106 176.094 -0.017 0.000 1.070 213 V CA 0.037 62.325 62.300 -0.019 0.000 1.008 213 V CB 1.186 33.004 31.823 -0.009 0.000 1.070 213 V HN 0.836 nan 8.190 nan 0.000 0.457 214 G N 1.431 110.201 108.800 -0.049 0.000 2.157 214 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.248 214 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.248 214 G C -0.117 174.627 174.900 -0.261 0.000 0.979 214 G CA 0.186 45.245 45.100 -0.068 0.000 0.650 214 G HN 0.915 nan 8.290 nan 0.000 0.529 215 I N 1.946 122.342 120.570 -0.290 0.000 2.301 215 I HA 0.229 4.399 4.170 -0.000 0.000 0.292 215 I C -1.884 173.986 176.117 -0.411 0.000 1.046 215 I CA -2.072 58.919 61.300 -0.514 0.000 1.282 215 I CB 1.153 38.997 38.000 -0.261 0.000 1.409 215 I HN -0.162 nan 8.210 nan 0.000 0.484 216 P HA -0.016 nan 4.420 nan 0.000 0.250 216 P C -1.951 175.259 177.300 -0.149 0.000 1.161 216 P CA -0.615 62.328 63.100 -0.261 0.000 0.863 216 P CB 0.016 31.585 31.700 -0.219 0.000 0.827 217 P HA -0.268 nan 4.420 nan 0.000 0.221 217 P C 1.117 178.396 177.300 -0.035 0.000 1.160 217 P CA 1.621 64.685 63.100 -0.061 0.000 0.933 217 P CB -0.120 31.555 31.700 -0.041 0.000 0.793 218 E N -0.937 119.251 120.200 -0.020 0.000 2.515 218 E HA -0.129 4.221 4.350 -0.000 0.000 0.201 218 E C 0.906 177.517 176.600 0.018 0.000 1.071 218 E CA 0.889 57.293 56.400 0.006 0.000 0.880 218 E CB -0.348 29.361 29.700 0.016 0.000 0.828 218 E HN 0.571 nan 8.360 nan 0.000 0.540 219 Q N -0.741 119.060 119.800 0.001 0.000 2.110 219 Q HA 0.189 4.529 4.340 -0.000 0.000 0.232 219 Q C 1.346 177.356 176.000 0.017 0.000 0.810 219 Q CA -0.125 55.699 55.803 0.035 0.000 1.083 219 Q CB 0.916 29.695 28.738 0.069 0.000 1.193 219 Q HN -0.039 nan 8.270 nan 0.000 0.471 220 S N 1.083 116.775 115.700 -0.012 0.000 2.354 220 S HA -0.096 4.374 4.470 -0.000 0.000 0.219 220 S C 1.704 176.303 174.600 -0.001 0.000 1.035 220 S CA 1.149 59.333 58.200 -0.027 0.000 1.037 220 S CB -0.064 63.114 63.200 -0.037 0.000 0.956 220 S HN 0.487 nan 8.310 nan 0.000 0.428 221 L N 1.402 122.634 121.223 0.015 0.000 2.042 221 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 221 L C 2.762 179.658 176.870 0.044 0.000 1.076 221 L CA 1.943 56.800 54.840 0.029 0.000 0.749 221 L CB -0.692 41.394 42.059 0.045 0.000 0.893 221 L HN 0.579 nan 8.230 nan 0.000 0.432 222 E N -0.245 119.994 120.200 0.065 0.000 2.068 222 E HA -0.301 4.049 4.350 -0.000 0.000 0.207 222 E C 1.861 178.519 176.600 0.097 0.000 1.032 222 E CA 2.607 59.064 56.400 0.094 0.000 0.839 222 E CB -0.055 29.719 29.700 0.124 0.000 0.758 222 E HN 0.449 nan 8.360 nan 0.000 0.457 223 T N 0.972 115.598 114.554 0.121 0.000 2.684 223 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 223 T C 1.924 176.595 174.700 -0.048 0.000 1.036 223 T CA 1.656 63.817 62.100 0.102 0.000 1.148 223 T CB -0.561 68.432 68.868 0.208 0.000 0.863 223 T HN 0.428 nan 8.240 nan 0.000 0.436 224 A N 1.953 124.764 122.820 -0.014 0.000 1.869 224 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 224 A C 2.230 179.806 177.584 -0.013 0.000 1.203 224 A CA 2.408 54.428 52.037 -0.027 0.000 0.638 224 A CB -0.804 18.183 19.000 -0.022 0.000 0.831 224 A HN 0.509 nan 8.150 nan 0.000 0.450 225 K N -0.537 119.870 120.400 0.011 0.000 2.113 225 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 225 K C 2.118 178.715 176.600 -0.005 0.000 1.047 225 K CA 1.358 57.661 56.287 0.027 0.000 0.928 225 K CB -0.349 32.179 32.500 0.046 0.000 0.716 225 K HN 0.426 nan 8.250 nan 0.000 0.446 226 A N 0.445 123.234 122.820 -0.052 0.000 1.902 226 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 226 A C 2.214 179.693 177.584 -0.174 0.000 1.181 226 A CA 1.674 53.638 52.037 -0.121 0.000 0.623 226 A CB -0.559 18.321 19.000 -0.200 0.000 0.818 226 A HN 0.180 nan 8.150 nan 0.000 0.443 227 V N 0.115 119.942 119.914 -0.146 0.000 2.358 227 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 227 V C 2.511 178.666 176.094 0.103 0.000 1.047 227 V CA 2.240 64.558 62.300 0.030 0.000 1.035 227 V CB -0.596 31.265 31.823 0.063 0.000 0.658 227 V HN 0.653 nan 8.190 nan 0.000 0.452 228 K N -0.007 120.446 120.400 0.089 0.000 2.063 228 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 228 K C 2.064 178.746 176.600 0.137 0.000 1.048 228 K CA 1.983 58.379 56.287 0.182 0.000 0.928 228 K CB -0.019 32.588 32.500 0.179 0.000 0.713 228 K HN 0.604 nan 8.250 nan 0.000 0.442 229 E N -0.620 119.583 120.200 0.006 0.000 2.140 229 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 229 E C 2.184 178.730 176.600 -0.090 0.000 0.973 229 E CA 0.522 56.880 56.400 -0.071 0.000 0.829 229 E CB 0.160 29.811 29.700 -0.082 0.000 0.781 229 E HN 0.174 nan 8.360 nan 0.000 0.466 230 R N -0.456 119.933 120.500 -0.185 0.000 2.093 230 R HA -0.050 4.290 4.340 -0.000 0.000 0.224 230 R C 1.215 177.269 176.300 -0.411 0.000 1.101 230 R CA 1.281 57.135 56.100 -0.410 0.000 0.979 230 R CB 0.121 29.969 30.300 -0.754 0.000 0.877 230 R HN 0.211 nan 8.270 nan 0.000 0.441 231 Y N -1.392 118.996 120.300 0.148 0.000 2.589 231 Y HA 0.349 4.898 4.550 -0.000 0.000 0.271 231 Y C 0.873 176.994 175.900 0.367 0.000 1.107 231 Y CA -0.543 57.695 58.100 0.230 0.000 1.273 231 Y CB -0.028 38.555 38.460 0.204 0.000 1.266 231 Y HN -0.203 nan 8.280 nan 0.000 0.504 232 S N 1.347 117.335 115.700 0.480 0.000 2.569 232 S HA 0.224 4.694 4.470 -0.000 0.000 0.274 232 S C -0.733 174.247 174.600 0.634 0.000 1.353 232 S CA 0.195 58.680 58.200 0.475 0.000 1.023 232 S CB -0.085 63.401 63.200 0.476 0.000 0.876 232 S HN 0.406 nan 8.310 nan 0.000 0.540 233 Y N -2.567 117.977 120.300 0.406 0.000 2.779 233 Y HA 0.658 5.208 4.550 -0.000 0.000 0.340 233 Y C -1.580 174.492 175.900 0.286 0.000 1.252 233 Y CA -1.441 56.891 58.100 0.387 0.000 1.072 233 Y CB 0.473 39.140 38.460 0.345 0.000 1.343 233 Y HN 0.270 nan 8.280 nan 0.000 0.450 234 V N 2.497 122.630 119.914 0.365 0.000 2.398 234 V HA 0.519 4.639 4.120 -0.000 0.000 0.286 234 V C 0.282 176.515 176.094 0.232 0.000 1.026 234 V CA -0.640 61.778 62.300 0.197 0.000 0.868 234 V CB 0.858 32.834 31.823 0.254 0.000 0.982 234 V HN 1.137 nan 8.190 nan 0.000 0.443 235 C N 4.471 123.823 119.300 0.087 0.000 2.335 235 C HA 0.686 5.146 4.460 -0.000 0.000 0.363 235 C C -1.132 173.823 174.990 -0.058 0.000 1.198 235 C CA -1.442 57.623 59.018 0.079 0.000 2.279 235 C CB 1.441 29.148 27.740 -0.054 0.000 2.334 235 C HN 0.685 nan 8.230 nan 0.000 0.559 236 P HA 0.159 nan 4.420 nan 0.000 0.220 236 P C -0.474 176.755 177.300 -0.120 0.000 1.154 236 P CA 1.320 64.354 63.100 -0.111 0.000 0.830 236 P CB 0.110 31.770 31.700 -0.066 0.000 0.803 237 D N -1.935 118.402 120.400 -0.106 0.000 2.936 237 D HA 0.213 4.853 4.640 -0.000 0.000 0.238 237 D C 0.847 177.078 176.300 -0.114 0.000 1.248 237 D CA -0.403 53.549 54.000 -0.081 0.000 0.903 237 D CB 0.997 41.761 40.800 -0.060 0.000 1.544 237 D HN -0.278 nan 8.370 nan 0.000 0.543 238 L N 2.671 123.875 121.223 -0.032 0.000 1.970 238 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 238 L C 2.403 179.298 176.870 0.042 0.000 1.071 238 L CA 1.459 56.298 54.840 -0.002 0.000 0.751 238 L CB -0.724 41.481 42.059 0.244 0.000 0.889 238 L HN 0.520 nan 8.230 nan 0.000 0.432 239 V N -2.015 117.956 119.914 0.095 0.000 2.255 239 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 239 V C 2.316 178.418 176.094 0.014 0.000 1.051 239 V CA 1.841 64.194 62.300 0.088 0.000 1.018 239 V CB -1.000 30.842 31.823 0.031 0.000 0.641 239 V HN 0.398 nan 8.190 nan 0.000 0.445 240 K N -0.065 120.308 120.400 -0.045 0.000 2.211 240 K HA -0.213 4.107 4.320 -0.000 0.000 0.204 240 K C 2.226 178.725 176.600 -0.169 0.000 1.047 240 K CA 1.843 58.083 56.287 -0.078 0.000 0.935 240 K CB -0.161 32.295 32.500 -0.073 0.000 0.728 240 K HN 0.549 nan 8.250 nan 0.000 0.452 241 E N 0.436 120.451 120.200 -0.309 0.000 2.021 241 E HA -0.081 4.269 4.350 -0.000 0.000 0.189 241 E C 1.541 177.837 176.600 -0.506 0.000 0.980 241 E CA 1.031 57.061 56.400 -0.618 0.000 0.803 241 E CB -0.214 28.747 29.700 -1.231 0.000 0.766 241 E HN 0.101 nan 8.360 nan 0.000 0.449 242 F N 1.537 121.229 119.950 -0.430 0.000 2.184 242 F HA -0.250 4.277 4.527 -0.000 0.000 0.301 242 F C 2.268 178.034 175.800 -0.055 0.000 1.076 242 F CA 1.556 59.420 58.000 -0.227 0.000 1.295 242 F CB -0.478 38.386 39.000 -0.226 0.000 1.026 242 F HN 0.206 nan 8.300 nan 0.000 0.494 243 N N 0.652 119.416 118.700 0.106 0.000 2.062 243 N HA -0.178 4.561 4.740 -0.000 0.000 0.191 243 N C 1.859 177.411 175.510 0.069 0.000 1.042 243 N CA 1.348 54.447 53.050 0.081 0.000 0.845 243 N CB -0.104 38.398 38.487 0.026 0.000 1.024 243 N HN 0.250 nan 8.380 nan 0.000 0.424 244 K N -0.269 120.104 120.400 -0.045 0.000 2.107 244 K HA -0.217 4.102 4.320 -0.000 0.000 0.211 244 K C 2.103 178.636 176.600 -0.112 0.000 1.049 244 K CA 1.705 57.894 56.287 -0.163 0.000 0.927 244 K CB -0.323 31.827 32.500 -0.584 0.000 0.714 244 K HN 0.382 nan 8.250 nan 0.000 0.452 245 Y N 1.158 121.363 120.300 -0.159 0.000 2.153 245 Y HA -0.178 4.372 4.550 0.000 0.000 0.289 245 Y C 2.143 178.156 175.900 0.187 0.000 1.127 245 Y CA 0.959 59.118 58.100 0.099 0.000 1.131 245 Y CB -0.103 38.544 38.460 0.312 0.000 0.995 245 Y HN 0.061 nan 8.280 nan 0.000 0.505 246 D N -0.910 119.722 120.400 0.387 0.000 2.263 246 D HA -0.119 4.521 4.640 -0.000 0.000 0.208 246 D C 1.748 178.153 176.300 0.176 0.000 0.971 246 D CA 1.410 55.575 54.000 0.274 0.000 0.867 246 D CB -0.321 40.622 40.800 0.239 0.000 0.929 246 D HN 0.314 nan 8.370 nan 0.000 0.492 247 T N -0.251 114.394 114.554 0.152 0.000 2.896 247 T HA -0.083 4.266 4.350 -0.000 0.000 0.238 247 T C 0.864 175.638 174.700 0.123 0.000 1.045 247 T CA 0.560 62.729 62.100 0.114 0.000 1.248 247 T CB -0.181 68.743 68.868 0.093 0.000 0.955 247 T HN -0.049 nan 8.240 nan 0.000 0.416 248 D N 1.967 122.459 120.400 0.153 0.000 3.134 248 D HA 0.279 4.919 4.640 -0.000 0.000 0.248 248 D C 0.871 177.288 176.300 0.195 0.000 1.273 248 D CA -0.337 53.765 54.000 0.170 0.000 0.904 248 D CB -0.810 40.118 40.800 0.212 0.000 1.089 248 D HN 0.348 nan 8.370 nan 0.000 0.478 252 W N -0.177 121.003 121.300 -0.200 0.000 1.637 252 W HA 0.289 4.949 4.660 0.001 0.000 0.165 252 W C -0.181 176.209 176.519 -0.215 0.000 0.769 252 W CA -0.332 56.790 57.345 -0.371 0.000 0.842 252 W CB 0.754 29.660 29.460 -0.925 0.000 0.733 252 W HN -0.147 nan 8.180 nan 0.000 0.575 253 I N 3.371 124.000 120.570 0.098 0.000 2.352 253 I HA 0.206 4.376 4.170 -0.000 0.000 0.290 253 I C 0.193 176.315 176.117 0.008 0.000 1.036 253 I CA -0.145 61.218 61.300 0.104 0.000 1.336 253 I CB 0.316 38.368 38.000 0.085 0.000 1.407 253 I HN -0.258 nan 8.210 nan 0.000 0.497 254 K N 5.999 126.366 120.400 -0.057 0.000 2.221 254 K HA 0.503 4.823 4.320 -0.000 0.000 0.243 254 K C -0.175 176.346 176.600 -0.131 0.000 0.968 254 K CA -0.807 55.384 56.287 -0.160 0.000 0.846 254 K CB 1.760 34.000 32.500 -0.434 0.000 1.141 254 K HN 0.403 nan 8.250 nan 0.000 0.434 255 Q N 1.062 120.821 119.800 -0.069 0.000 2.301 255 Q HA 0.412 4.752 4.340 -0.000 0.000 0.267 255 Q C -1.002 175.068 176.000 0.117 0.000 1.035 255 Q CA -0.896 54.917 55.803 0.016 0.000 0.856 255 Q CB 1.570 30.319 28.738 0.017 0.000 1.337 255 Q HN 0.593 nan 8.270 nan 0.000 0.450 256 Y N 0.295 120.614 120.300 0.031 0.000 2.512 256 Y HA 0.605 5.155 4.550 0.000 0.000 0.348 256 Y C -1.322 174.587 175.900 0.014 0.000 0.990 256 Y CA -0.508 57.652 58.100 0.099 0.000 1.033 256 Y CB 2.321 40.895 38.460 0.190 0.000 1.259 256 Y HN 0.742 nan 8.280 nan 0.000 0.461 257 T N 1.827 115.855 114.554 -0.877 0.000 2.971 257 T HA 0.819 5.169 4.350 -0.000 0.000 0.304 257 T C -0.410 173.609 174.700 -1.134 0.000 1.038 257 T CA -0.343 61.252 62.100 -0.842 0.000 1.007 257 T CB 1.366 69.977 68.868 -0.427 0.000 1.055 257 T HN 1.054 nan 8.240 nan 0.000 0.451 258 G N 1.052 109.085 108.800 -1.279 0.000 3.176 258 G HA2 0.737 4.697 3.960 -0.000 0.000 0.272 258 G HA3 0.737 4.697 3.960 -0.000 0.000 0.272 258 G C -1.687 172.765 174.900 -0.746 0.000 1.349 258 G CA -1.017 43.546 45.100 -0.895 0.000 0.953 258 G HN 0.717 nan 8.290 nan 0.000 0.559 259 I N 0.893 121.299 120.570 -0.272 0.000 2.418 259 I HA 0.279 4.449 4.170 -0.000 0.000 0.287 259 I C -0.248 175.976 176.117 0.178 0.000 1.008 259 I CA -0.931 60.331 61.300 -0.063 0.000 1.104 259 I CB 1.838 39.814 38.000 -0.041 0.000 1.264 259 I HN 0.301 nan 8.210 nan 0.000 0.438 260 N N 5.230 124.092 118.700 0.269 0.000 2.423 260 N HA 0.187 4.927 4.740 -0.000 0.000 0.275 260 N C 0.007 175.596 175.510 0.132 0.000 1.283 260 N CA 0.135 53.335 53.050 0.251 0.000 0.932 260 N CB 0.720 39.334 38.487 0.211 0.000 1.185 260 N HN 0.775 nan 8.380 nan 0.000 0.483 265 K N 0.997 121.424 120.400 0.045 0.000 2.219 265 K HA 0.531 4.851 4.320 -0.000 0.000 0.258 265 K C -0.101 176.530 176.600 0.053 0.000 1.008 265 K CA 0.068 56.380 56.287 0.041 0.000 0.928 265 K CB 0.181 32.711 32.500 0.051 0.000 0.983 265 K HN 0.541 nan 8.250 nan 0.000 0.484 266 E N 0.354 120.559 120.200 0.008 0.000 2.249 266 E HA 0.494 4.844 4.350 -0.000 0.000 0.280 266 E C -0.841 175.765 176.600 0.010 0.000 1.016 266 E CA -0.489 55.869 56.400 -0.071 0.000 0.830 266 E CB 0.579 30.212 29.700 -0.112 0.000 1.081 266 E HN 0.518 nan 8.360 nan 0.000 0.395 267 F N 0.321 120.251 119.950 -0.034 0.000 2.507 267 F HA 0.575 5.102 4.527 -0.000 0.000 0.325 267 F C -0.541 175.238 175.800 -0.035 0.000 1.116 267 F CA -1.107 56.882 58.000 -0.019 0.000 0.930 267 F CB 1.241 40.243 39.000 0.003 0.000 1.146 267 F HN 0.136 nan 8.300 nan 0.000 0.447 268 S N 5.254 121.040 115.700 0.142 0.000 2.482 268 S HA 0.890 5.360 4.470 -0.000 0.000 0.303 268 S C -0.685 174.018 174.600 0.173 0.000 1.091 268 S CA -0.654 57.584 58.200 0.062 0.000 1.057 268 S CB 1.609 64.807 63.200 -0.002 0.000 1.031 268 S HN 1.083 nan 8.310 nan 0.000 0.485 269 I N -1.442 119.242 120.570 0.189 0.000 3.074 269 I HA 0.695 4.864 4.170 -0.000 0.000 0.310 269 I C -1.655 174.536 176.117 0.124 0.000 1.153 269 I CA -0.993 60.414 61.300 0.178 0.000 0.993 269 I CB 2.116 40.265 38.000 0.249 0.000 1.237 269 I HN 0.342 nan 8.210 nan 0.000 0.443 270 D N 2.967 123.408 120.400 0.068 0.000 2.175 270 D HA 0.504 5.144 4.640 -0.000 0.000 0.248 270 D C -0.689 175.613 176.300 0.004 0.000 1.047 270 D CA -0.168 53.846 54.000 0.024 0.000 0.883 270 D CB 2.731 43.531 40.800 0.001 0.000 1.180 270 D HN 0.312 nan 8.370 nan 0.000 0.438 271 V N 1.718 121.610 119.914 -0.038 0.000 2.384 271 V HA 0.683 4.803 4.120 -0.000 0.000 0.287 271 V C 0.859 176.939 176.094 -0.024 0.000 1.020 271 V CA -0.217 62.047 62.300 -0.061 0.000 0.850 271 V CB 1.402 33.119 31.823 -0.178 0.000 0.987 271 V HN 0.718 nan 8.190 nan 0.000 0.436 272 G N 1.966 110.738 108.800 -0.046 0.000 3.359 272 G HA2 0.199 4.159 3.960 -0.000 0.000 0.187 272 G HA3 0.199 4.159 3.960 -0.000 0.000 0.187 272 G C 0.671 175.498 174.900 -0.121 0.000 1.294 272 G CA -0.114 44.977 45.100 -0.014 0.000 0.769 272 G HN 0.537 nan 8.290 nan 0.000 0.733 273 Y N 2.109 122.217 120.300 -0.320 0.000 2.133 273 Y HA -0.308 4.242 4.550 0.001 0.000 0.279 273 Y C 3.096 178.372 175.900 -1.040 0.000 1.209 273 Y CA 1.590 59.170 58.100 -0.866 0.000 1.152 273 Y CB -0.057 38.120 38.460 -0.473 0.000 0.961 273 Y HN 0.473 nan 8.280 nan 0.000 0.512 274 E N 1.495 121.468 120.200 -0.379 0.000 2.273 274 E HA -0.238 4.112 4.350 -0.000 0.000 0.198 274 E C 1.723 178.162 176.600 -0.268 0.000 1.002 274 E CA 1.233 57.445 56.400 -0.314 0.000 0.828 274 E CB -0.562 29.024 29.700 -0.190 0.000 0.747 274 E HN 0.572 nan 8.360 nan 0.000 0.491 275 R N 0.165 120.536 120.500 -0.216 0.000 2.105 275 R HA -0.125 4.215 4.340 -0.000 0.000 0.239 275 R C 2.173 178.318 176.300 -0.258 0.000 1.135 275 R CA 2.113 58.208 56.100 -0.008 0.000 0.967 275 R CB -0.424 30.087 30.300 0.352 0.000 0.861 275 R HN 0.450 nan 8.270 nan 0.000 0.442 276 F N -3.146 116.586 119.950 -0.365 0.000 2.724 276 F HA 0.309 4.835 4.527 -0.000 0.000 0.306 276 F C 1.463 177.122 175.800 -0.235 0.000 1.100 276 F CA -0.307 57.380 58.000 -0.522 0.000 1.255 276 F CB -0.187 38.428 39.000 -0.642 0.000 1.072 276 F HN -0.208 nan 8.300 nan 0.000 0.589 277 L N 0.897 121.746 121.223 -0.623 0.000 2.341 277 L HA 0.196 4.536 4.340 -0.000 0.000 0.214 277 L C 2.480 179.448 176.870 0.165 0.000 1.115 277 L CA 0.928 55.679 54.840 -0.147 0.000 0.820 277 L CB -0.627 41.298 42.059 -0.224 0.000 0.944 277 L HN 0.458 nan 8.230 nan 0.000 0.452 278 G N 1.224 110.044 108.800 0.034 0.000 2.505 278 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.214 278 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.214 278 G C -0.884 174.007 174.900 -0.016 0.000 1.237 278 G CA 0.507 45.687 45.100 0.135 0.000 0.802 278 G HN 0.265 nan 8.290 nan 0.000 0.549 279 P HA -0.009 nan 4.420 nan 0.000 0.225 279 P C 1.342 178.677 177.300 0.059 0.000 1.148 279 P CA 1.200 64.100 63.100 -0.333 0.000 0.779 279 P CB 0.160 31.470 31.700 -0.650 0.000 0.780 280 E N 0.937 121.189 120.200 0.088 0.000 2.058 280 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 280 E C 1.767 178.386 176.600 0.030 0.000 0.997 280 E CA 1.133 57.638 56.400 0.175 0.000 0.801 280 E CB -1.298 28.522 29.700 0.199 0.000 0.746 280 E HN 0.319 nan 8.360 nan 0.000 0.450 281 I N -1.835 118.664 120.570 -0.118 0.000 2.623 281 I HA -0.233 3.937 4.170 -0.000 0.000 0.261 281 I C 1.695 177.673 176.117 -0.233 0.000 1.204 281 I CA 1.082 62.215 61.300 -0.278 0.000 1.444 281 I CB -0.501 37.252 38.000 -0.411 0.000 1.094 281 I HN -0.062 nan 8.210 nan 0.000 0.451 282 F N 1.505 121.313 119.950 -0.237 0.000 2.186 282 F HA -0.049 4.477 4.527 -0.001 0.000 0.299 282 F C 1.918 177.384 175.800 -0.556 0.000 1.090 282 F CA 1.755 59.523 58.000 -0.387 0.000 1.307 282 F CB -0.484 38.200 39.000 -0.527 0.000 1.019 282 F HN 0.031 nan 8.300 nan 0.000 0.489 283 F N -2.363 117.573 119.950 -0.023 0.000 2.446 283 F HA 0.066 4.593 4.527 -0.001 0.000 0.292 283 F C 0.942 176.468 175.800 -0.458 0.000 1.096 283 F CA 0.674 58.514 58.000 -0.266 0.000 1.438 283 F CB -0.566 38.202 39.000 -0.388 0.000 1.107 283 F HN -0.130 nan 8.300 nan 0.000 0.546 284 H N -0.340 118.621 119.070 -0.182 0.000 2.317 284 H HA 0.207 4.762 4.556 -0.001 0.000 0.231 284 H C -1.960 173.100 175.328 -0.447 0.000 1.442 284 H CA -1.759 54.013 56.048 -0.459 0.000 1.336 284 H CB 0.453 29.596 29.762 -1.032 0.000 1.533 284 H HN -0.093 nan 8.280 nan 0.000 0.522 285 P HA -0.286 nan 4.420 nan 0.000 0.216 285 P C 1.443 178.746 177.300 0.006 0.000 1.154 285 P CA 1.548 64.633 63.100 -0.025 0.000 0.865 285 P CB 0.228 32.010 31.700 0.137 0.000 0.789 286 E N -1.539 118.681 120.200 0.033 0.000 2.333 286 E HA -0.230 4.120 4.350 -0.000 0.000 0.200 286 E C 1.328 178.058 176.600 0.217 0.000 1.010 286 E CA 0.910 57.372 56.400 0.104 0.000 0.841 286 E CB -1.070 28.691 29.700 0.100 0.000 0.757 286 E HN 0.151 nan 8.360 nan 0.000 0.508 287 F N 1.252 121.159 119.950 -0.071 0.000 2.171 287 F HA 0.007 4.534 4.527 -0.001 0.000 0.300 287 F C 2.414 178.095 175.800 -0.197 0.000 1.090 287 F CA 0.967 58.893 58.000 -0.123 0.000 1.293 287 F CB -0.567 38.308 39.000 -0.209 0.000 1.013 287 F HN 0.242 nan 8.300 nan 0.000 0.486 288 A N -1.395 121.370 122.820 -0.090 0.000 1.999 288 A HA 0.115 4.435 4.320 -0.000 0.000 0.200 288 A C 0.819 178.406 177.584 0.006 0.000 1.363 288 A CA -0.069 51.899 52.037 -0.116 0.000 0.844 288 A CB -0.447 18.347 19.000 -0.343 0.000 0.954 288 A HN 0.278 nan 8.150 nan 0.000 0.481 289 N N 0.320 119.020 118.700 0.000 0.000 2.426 289 N HA 0.371 5.111 4.740 -0.000 0.000 0.275 289 N C -2.248 173.299 175.510 0.062 0.000 1.019 289 N CA -1.683 51.387 53.050 0.034 0.000 0.941 289 N CB 1.845 40.362 38.487 0.052 0.000 1.123 289 N HN -0.076 nan 8.380 nan 0.000 0.486 290 P HA 0.110 nan 4.420 nan 0.000 0.226 290 P C -0.480 176.851 177.300 0.051 0.000 1.161 290 P CA 0.790 63.918 63.100 0.047 0.000 0.804 290 P CB 0.434 32.155 31.700 0.034 0.000 0.829 291 D N -2.322 118.118 120.400 0.068 0.000 2.349 291 D HA 0.117 4.757 4.640 -0.000 0.000 0.214 291 D C -0.236 176.161 176.300 0.162 0.000 1.063 291 D CA 0.242 54.291 54.000 0.081 0.000 0.847 291 D CB -0.030 40.804 40.800 0.057 0.000 0.933 291 D HN 0.093 nan 8.370 nan 0.000 0.513 292 F N 0.465 120.401 119.950 -0.023 0.000 2.551 292 F HA 0.439 4.967 4.527 0.002 0.000 0.316 292 F C 0.759 176.550 175.800 -0.015 0.000 1.089 292 F CA -0.577 57.408 58.000 -0.024 0.000 0.915 292 F CB 2.008 40.985 39.000 -0.039 0.000 1.186 292 F HN -0.132 nan 8.300 nan 0.000 0.456 293 T N -0.600 113.560 114.554 -0.657 0.000 3.100 293 T HA 0.170 4.520 4.350 -0.000 0.000 0.255 293 T C 0.348 174.726 174.700 -0.536 0.000 0.893 293 T CA -0.173 61.676 62.100 -0.418 0.000 0.882 293 T CB -0.308 68.436 68.868 -0.207 0.000 1.266 293 T HN 0.517 nan 8.240 nan 0.000 0.528 294 Q N 3.004 122.267 119.800 -0.895 0.000 2.269 294 Q HA 0.172 4.512 4.340 -0.000 0.000 0.300 294 Q C -2.587 173.234 176.000 -0.299 0.000 1.070 294 Q CA -1.026 54.461 55.803 -0.526 0.000 0.957 294 Q CB 0.432 28.892 28.738 -0.463 0.000 1.131 294 Q HN 0.275 nan 8.270 nan 0.000 0.377 295 P HA 0.017 nan 4.420 nan 0.000 0.281 295 P C 0.464 177.767 177.300 0.006 0.000 1.252 295 P CA -0.029 63.040 63.100 -0.052 0.000 0.778 295 P CB 0.634 32.304 31.700 -0.051 0.000 0.895 296 I N 3.155 123.736 120.570 0.018 0.000 2.182 296 I HA -0.413 3.757 4.170 -0.000 0.000 0.248 296 I C 1.959 178.084 176.117 0.014 0.000 1.073 296 I CA 2.574 63.888 61.300 0.022 0.000 1.335 296 I CB -0.145 37.795 38.000 -0.101 0.000 1.031 296 I HN 0.405 nan 8.210 nan 0.000 0.420 297 S N -0.101 115.615 115.700 0.027 0.000 2.374 297 S HA -0.304 4.166 4.470 -0.000 0.000 0.227 297 S C 1.839 176.468 174.600 0.049 0.000 1.037 297 S CA 1.825 60.057 58.200 0.052 0.000 1.024 297 S CB -0.663 62.582 63.200 0.075 0.000 0.861 297 S HN 0.668 nan 8.310 nan 0.000 0.456 298 E N 0.497 120.718 120.200 0.036 0.000 2.072 298 E HA -0.036 4.314 4.350 -0.000 0.000 0.190 298 E C 2.208 178.835 176.600 0.045 0.000 0.982 298 E CA 1.169 57.589 56.400 0.033 0.000 0.803 298 E CB -0.267 29.436 29.700 0.005 0.000 0.755 298 E HN 0.446 nan 8.360 nan 0.000 0.453 299 V N 0.970 120.918 119.914 0.056 0.000 2.392 299 V HA -0.256 3.864 4.120 -0.000 0.000 0.249 299 V C 2.320 178.449 176.094 0.058 0.000 1.059 299 V CA 1.362 63.710 62.300 0.079 0.000 1.051 299 V CB -0.491 31.413 31.823 0.135 0.000 0.658 299 V HN 0.141 nan 8.190 nan 0.000 0.455 300 V N 0.415 120.359 119.914 0.050 0.000 2.307 300 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 300 V C 2.428 178.537 176.094 0.026 0.000 1.045 300 V CA 2.250 64.570 62.300 0.033 0.000 1.024 300 V CB -0.713 31.136 31.823 0.044 0.000 0.651 300 V HN 0.616 nan 8.190 nan 0.000 0.449 301 D N 0.350 120.793 120.400 0.073 0.000 2.106 301 D HA -0.266 4.374 4.640 -0.000 0.000 0.191 301 D C 2.225 178.561 176.300 0.060 0.000 0.997 301 D CA 2.067 56.135 54.000 0.114 0.000 0.834 301 D CB -0.175 40.698 40.800 0.120 0.000 0.956 301 D HN 0.589 nan 8.370 nan 0.000 0.448 302 E N -0.441 119.787 120.200 0.047 0.000 2.085 302 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 302 E C 2.226 178.836 176.600 0.016 0.000 0.994 302 E CA 1.243 57.664 56.400 0.036 0.000 0.801 302 E CB 0.035 29.759 29.700 0.040 0.000 0.743 302 E HN 0.176 nan 8.360 nan 0.000 0.453 303 V N 1.521 121.439 119.914 0.006 0.000 2.295 303 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 303 V C 2.457 178.521 176.094 -0.051 0.000 1.049 303 V CA 1.757 64.051 62.300 -0.010 0.000 1.024 303 V CB -0.416 31.402 31.823 -0.007 0.000 0.648 303 V HN 0.369 nan 8.190 nan 0.000 0.447 304 I N -0.430 120.070 120.570 -0.117 0.000 2.286 304 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 304 I C 2.731 178.767 176.117 -0.135 0.000 1.115 304 I CA 1.179 62.343 61.300 -0.226 0.000 1.392 304 I CB -0.489 37.160 38.000 -0.584 0.000 1.065 304 I HN 0.352 nan 8.210 nan 0.000 0.418 305 Q N 0.751 120.517 119.800 -0.056 0.000 2.096 305 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 305 Q C 1.818 177.822 176.000 0.006 0.000 0.982 305 Q CA 1.301 57.110 55.803 0.010 0.000 0.850 305 Q CB -0.592 28.172 28.738 0.044 0.000 0.901 305 Q HN 0.559 nan 8.270 nan 0.000 0.422 306 N N -0.268 118.432 118.700 0.001 0.000 2.573 306 N HA -0.064 4.676 4.740 -0.000 0.000 0.187 306 N C 0.378 175.891 175.510 0.004 0.000 1.107 306 N CA 0.213 53.268 53.050 0.008 0.000 0.918 306 N CB 0.050 38.545 38.487 0.013 0.000 0.966 306 N HN 0.184 nan 8.380 nan 0.000 0.448 307 C N 0.969 120.263 119.300 -0.009 0.000 2.347 307 C HA 0.339 4.799 4.460 -0.000 0.000 0.366 307 C C -1.969 173.023 174.990 0.003 0.000 1.241 307 C CA -1.358 57.656 59.018 -0.006 0.000 2.360 307 C CB 0.830 28.555 27.740 -0.025 0.000 2.290 307 C HN 0.156 nan 8.230 nan 0.000 0.587 308 P HA -0.025 nan 4.420 nan 0.000 0.260 308 P C 0.805 178.118 177.300 0.023 0.000 1.172 308 P CA 0.422 63.533 63.100 0.018 0.000 0.760 308 P CB 0.160 31.873 31.700 0.022 0.000 0.773 309 I N 4.675 125.262 120.570 0.028 0.000 2.236 309 I HA -0.304 3.866 4.170 -0.000 0.000 0.249 309 I C 1.505 177.648 176.117 0.043 0.000 1.102 309 I CA 1.934 63.257 61.300 0.038 0.000 1.365 309 I CB -0.492 37.530 38.000 0.036 0.000 1.051 309 I HN 0.400 nan 8.210 nan 0.000 0.420 310 D N -0.621 119.801 120.400 0.037 0.000 2.269 310 D HA -0.127 4.513 4.640 -0.000 0.000 0.208 310 D C 2.080 178.405 176.300 0.041 0.000 0.963 310 D CA 1.069 55.091 54.000 0.038 0.000 0.864 310 D CB -0.634 40.185 40.800 0.032 0.000 0.936 310 D HN 0.404 nan 8.370 nan 0.000 0.505 311 V N 0.637 120.572 119.914 0.035 0.000 3.471 311 V HA -0.026 4.094 4.120 -0.000 0.000 0.258 311 V C 2.240 178.348 176.094 0.023 0.000 1.192 311 V CA 0.285 62.604 62.300 0.031 0.000 1.116 311 V CB -0.088 31.750 31.823 0.024 0.000 0.792 311 V HN 0.026 nan 8.190 nan 0.000 0.459 312 R N 0.739 121.252 120.500 0.022 0.000 2.132 312 R HA -0.239 4.101 4.340 -0.000 0.000 0.233 312 R C 2.446 178.815 176.300 0.115 0.000 1.125 312 R CA 2.365 58.465 56.100 -0.000 0.000 0.914 312 R CB -1.242 29.099 30.300 0.068 0.000 0.845 312 R HN 0.481 nan 8.270 nan 0.000 0.431 313 R N 1.241 121.873 120.500 0.220 0.000 2.134 313 R HA -0.186 4.154 4.340 -0.000 0.000 0.248 313 R C -0.197 176.210 176.300 0.179 0.000 1.143 313 R CA 2.285 58.532 56.100 0.245 0.000 0.957 313 R CB -2.516 27.865 30.300 0.135 0.000 0.867 313 R HN 0.364 nan 8.270 nan 0.000 0.441 314 P HA -0.068 nan 4.420 nan 0.000 0.215 314 P C 1.364 178.711 177.300 0.077 0.000 1.157 314 P CA 0.858 64.008 63.100 0.083 0.000 0.863 314 P CB -0.107 31.630 31.700 0.061 0.000 0.787 315 L N -2.710 118.535 121.223 0.036 0.000 2.131 315 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 315 L C 2.278 179.141 176.870 -0.012 0.000 1.092 315 L CA 1.524 56.350 54.840 -0.024 0.000 0.759 315 L CB -0.718 41.270 42.059 -0.119 0.000 0.903 315 L HN 0.036 nan 8.230 nan 0.000 0.435 316 Y N -0.167 120.154 120.300 0.035 0.000 2.337 316 Y HA -0.111 4.439 4.550 -0.001 0.000 0.293 316 Y C 2.519 178.438 175.900 0.033 0.000 1.123 316 Y CA 0.914 59.033 58.100 0.031 0.000 1.201 316 Y CB -0.070 38.405 38.460 0.025 0.000 1.011 316 Y HN 0.006 nan 8.280 nan 0.000 0.545 317 K N -0.111 120.409 120.400 0.200 0.000 2.296 317 K HA -0.052 4.268 4.320 -0.000 0.000 0.200 317 K C 0.418 177.082 176.600 0.107 0.000 1.048 317 K CA 0.611 56.974 56.287 0.127 0.000 0.966 317 K CB -0.037 32.522 32.500 0.098 0.000 0.754 317 K HN 0.196 nan 8.250 nan 0.000 0.466 318 N N 0.929 119.692 118.700 0.105 0.000 2.757 318 N HA 0.192 4.932 4.740 -0.000 0.000 0.296 318 N C -1.189 174.375 175.510 0.089 0.000 1.874 318 N CA -0.153 52.955 53.050 0.098 0.000 0.885 318 N CB 0.499 39.046 38.487 0.099 0.000 1.242 318 N HN -0.038 nan 8.380 nan 0.000 0.488 319 I N 2.276 122.902 120.570 0.093 0.000 2.294 319 I HA 0.145 4.315 4.170 -0.000 0.000 0.295 319 I C -0.104 176.067 176.117 0.090 0.000 1.098 319 I CA -0.410 60.940 61.300 0.082 0.000 1.277 319 I CB 0.858 38.912 38.000 0.090 0.000 1.434 319 I HN -0.053 nan 8.210 nan 0.000 0.498 320 V N 7.651 127.618 119.914 0.087 0.000 2.472 320 V HA 0.398 4.517 4.120 -0.000 0.000 0.290 320 V C 0.283 176.432 176.094 0.092 0.000 1.037 320 V CA -0.641 61.722 62.300 0.105 0.000 0.908 320 V CB 1.817 33.705 31.823 0.108 0.000 0.985 320 V HN 0.476 nan 8.190 nan 0.000 0.454 321 L N 3.134 124.411 121.223 0.090 0.000 2.360 321 L HA 0.723 5.063 4.340 -0.000 0.000 0.271 321 L C 0.170 177.052 176.870 0.021 0.000 1.057 321 L CA -0.023 54.843 54.840 0.042 0.000 0.803 321 L CB 1.792 43.862 42.059 0.019 0.000 1.207 321 L HN 0.708 nan 8.230 nan 0.000 0.445 322 S N 1.110 116.802 115.700 -0.014 0.000 2.653 322 S HA 0.761 5.231 4.470 -0.000 0.000 0.268 322 S C -0.760 173.819 174.600 -0.035 0.000 1.153 322 S CA 0.046 58.246 58.200 -0.001 0.000 1.036 322 S CB 1.081 64.311 63.200 0.050 0.000 1.103 322 S HN 1.091 nan 8.310 nan 0.000 0.466 323 G N 2.015 110.771 108.800 -0.073 0.000 2.329 323 G HA2 0.375 4.335 3.960 -0.000 0.000 0.308 323 G HA3 0.375 4.335 3.960 -0.000 0.000 0.308 323 G C 0.507 175.322 174.900 -0.140 0.000 1.587 323 G CA 0.011 45.068 45.100 -0.071 0.000 0.978 323 G HN 1.205 nan 8.290 nan 0.000 0.685 324 G N -0.539 108.200 108.800 -0.101 0.000 2.559 324 G HA2 0.199 4.159 3.960 -0.000 0.000 0.216 324 G HA3 0.199 4.159 3.960 -0.000 0.000 0.216 324 G C 1.276 176.054 174.900 -0.204 0.000 1.126 324 G CA 1.615 46.624 45.100 -0.151 0.000 0.778 324 G HN 1.030 nan 8.290 nan 0.000 0.543 325 S N -0.446 115.167 115.700 -0.145 0.000 2.582 325 S HA 0.110 4.580 4.470 -0.000 0.000 0.234 325 S C 1.923 176.368 174.600 -0.259 0.000 0.961 325 S CA 0.550 58.698 58.200 -0.086 0.000 0.953 325 S CB 0.367 63.671 63.200 0.174 0.000 0.800 325 S HN 0.590 nan 8.310 nan 0.000 0.471 326 T N -1.892 112.407 114.554 -0.426 0.000 3.003 326 T HA 0.244 4.594 4.350 -0.000 0.000 0.261 326 T C 1.612 176.094 174.700 -0.362 0.000 1.003 326 T CA -0.187 61.491 62.100 -0.703 0.000 0.917 326 T CB -0.083 68.514 68.868 -0.452 0.000 1.084 326 T HN 0.063 nan 8.240 nan 0.000 0.522 327 M N 1.268 120.678 119.600 -0.318 0.000 2.213 327 M HA 0.255 4.735 4.480 -0.000 0.000 0.263 327 M C 0.129 176.377 176.300 -0.087 0.000 1.062 327 M CA -0.028 55.130 55.300 -0.238 0.000 1.105 327 M CB -1.477 30.937 32.600 -0.311 0.000 1.385 327 M HN 0.257 nan 8.290 nan 0.000 0.417 328 F N 1.282 121.233 119.950 0.001 0.000 2.613 328 F HA -0.141 4.387 4.527 0.000 0.000 0.373 328 F C 1.378 177.303 175.800 0.208 0.000 1.085 328 F CA 0.480 58.569 58.000 0.148 0.000 1.309 328 F CB -0.219 38.926 39.000 0.241 0.000 0.986 328 F HN 0.083 nan 8.300 nan 0.000 0.592 329 R N 3.103 123.871 120.500 0.447 0.000 2.489 329 R HA -0.020 4.320 4.340 -0.000 0.000 0.287 329 R C 0.229 176.738 176.300 0.347 0.000 1.053 329 R CA 0.268 56.567 56.100 0.331 0.000 1.036 329 R CB 0.085 30.565 30.300 0.300 0.000 0.966 329 R HN 0.834 nan 8.270 nan 0.000 0.432 330 D N 2.830 123.379 120.400 0.249 0.000 2.946 330 D HA -0.286 4.354 4.640 -0.000 0.000 0.202 330 D C 0.608 177.033 176.300 0.208 0.000 1.068 330 D CA 1.305 55.421 54.000 0.193 0.000 1.011 330 D CB -1.226 39.676 40.800 0.170 0.000 1.105 330 D HN 0.594 nan 8.370 nan 0.000 0.425 331 F N 1.345 121.401 119.950 0.175 0.000 2.147 331 F HA -0.163 4.364 4.527 0.001 0.000 0.301 331 F C 2.278 178.163 175.800 0.141 0.000 1.084 331 F CA 2.631 60.749 58.000 0.195 0.000 1.268 331 F CB -0.263 38.845 39.000 0.179 0.000 1.009 331 F HN 0.096 nan 8.300 nan 0.000 0.486 332 G N -0.652 108.262 108.800 0.190 0.000 2.430 332 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.216 332 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.216 332 G C 1.705 176.609 174.900 0.007 0.000 1.146 332 G CA 0.469 45.621 45.100 0.087 0.000 0.793 332 G HN 0.369 nan 8.290 nan 0.000 0.537 333 R N 0.255 120.762 120.500 0.012 0.000 2.066 333 R HA -0.022 4.318 4.340 -0.000 0.000 0.232 333 R C 2.538 178.789 176.300 -0.081 0.000 1.131 333 R CA 1.482 57.571 56.100 -0.018 0.000 0.955 333 R CB -0.223 30.080 30.300 0.005 0.000 0.851 333 R HN 0.236 nan 8.270 nan 0.000 0.432 334 R N 0.998 121.411 120.500 -0.145 0.000 2.073 334 R HA -0.055 4.285 4.340 -0.000 0.000 0.234 334 R C 2.243 178.382 176.300 -0.268 0.000 1.134 334 R CA 1.559 57.474 56.100 -0.308 0.000 0.952 334 R CB -0.957 29.002 30.300 -0.569 0.000 0.850 334 R HN 0.387 nan 8.270 nan 0.000 0.433 335 L N 0.472 121.598 121.223 -0.163 0.000 2.012 335 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 335 L C 2.447 179.294 176.870 -0.037 0.000 1.073 335 L CA 2.247 57.060 54.840 -0.045 0.000 0.748 335 L CB -0.528 41.422 42.059 -0.182 0.000 0.891 335 L HN 0.529 nan 8.230 nan 0.000 0.431 336 Q N -0.192 119.584 119.800 -0.040 0.000 2.050 336 Q HA -0.290 4.050 4.340 -0.000 0.000 0.202 336 Q C 2.369 178.351 176.000 -0.030 0.000 0.980 336 Q CA 1.754 57.549 55.803 -0.013 0.000 0.840 336 Q CB -0.129 28.608 28.738 -0.002 0.000 0.898 336 Q HN 0.408 nan 8.270 nan 0.000 0.424 337 R N 0.054 120.519 120.500 -0.059 0.000 2.080 337 R HA -0.185 4.155 4.340 -0.000 0.000 0.236 337 R C 1.554 177.814 176.300 -0.067 0.000 1.137 337 R CA 2.135 58.194 56.100 -0.068 0.000 0.943 337 R CB -0.156 30.088 30.300 -0.094 0.000 0.846 337 R HN 0.328 nan 8.270 nan 0.000 0.431 338 D N 0.430 120.779 120.400 -0.085 0.000 2.123 338 D HA -0.174 4.466 4.640 -0.000 0.000 0.196 338 D C 1.694 177.981 176.300 -0.022 0.000 0.992 338 D CA 0.820 54.782 54.000 -0.064 0.000 0.833 338 D CB -0.175 40.587 40.800 -0.064 0.000 0.954 338 D HN 0.147 nan 8.370 nan 0.000 0.455 339 L N 0.666 121.888 121.223 -0.002 0.000 2.275 339 L HA -0.067 4.273 4.340 -0.000 0.000 0.215 339 L C 1.686 178.550 176.870 -0.009 0.000 1.119 339 L CA 1.547 56.404 54.840 0.027 0.000 0.790 339 L CB -0.127 41.976 42.059 0.074 0.000 0.919 339 L HN -0.099 nan 8.230 nan 0.000 0.443 340 K N -0.916 119.464 120.400 -0.033 0.000 2.044 340 K HA -0.074 4.246 4.320 -0.000 0.000 0.204 340 K C 2.158 178.727 176.600 -0.051 0.000 1.049 340 K CA 1.096 57.348 56.287 -0.059 0.000 0.945 340 K CB -0.141 32.328 32.500 -0.052 0.000 0.724 340 K HN 0.271 nan 8.250 nan 0.000 0.440 341 R N 0.489 120.965 120.500 -0.040 0.000 2.096 341 R HA -0.125 4.215 4.340 -0.000 0.000 0.240 341 R C 2.414 178.699 176.300 -0.026 0.000 1.139 341 R CA 1.962 58.042 56.100 -0.033 0.000 0.952 341 R CB -0.613 29.667 30.300 -0.033 0.000 0.854 341 R HN 0.198 nan 8.270 nan 0.000 0.436 342 T N 0.487 115.031 114.554 -0.017 0.000 2.708 342 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 342 T C 1.924 176.619 174.700 -0.010 0.000 1.037 342 T CA 1.291 63.389 62.100 -0.004 0.000 1.146 342 T CB -0.243 68.635 68.868 0.016 0.000 0.865 342 T HN 0.016 nan 8.240 nan 0.000 0.435 343 V N 1.564 121.460 119.914 -0.030 0.000 2.358 343 V HA -0.142 3.978 4.120 -0.000 0.000 0.246 343 V C 2.240 178.292 176.094 -0.070 0.000 1.047 343 V CA 1.808 64.067 62.300 -0.068 0.000 1.035 343 V CB -0.431 31.279 31.823 -0.188 0.000 0.658 343 V HN 0.412 nan 8.190 nan 0.000 0.452 344 D N 0.395 120.755 120.400 -0.068 0.000 2.084 344 D HA -0.122 4.518 4.640 -0.000 0.000 0.194 344 D C 2.228 178.507 176.300 -0.035 0.000 0.990 344 D CA 1.678 55.645 54.000 -0.055 0.000 0.826 344 D CB -0.527 40.243 40.800 -0.050 0.000 0.971 344 D HN 0.445 nan 8.370 nan 0.000 0.453 345 A N 1.067 123.871 122.820 -0.027 0.000 1.958 345 A HA -0.280 4.040 4.320 -0.000 0.000 0.221 345 A C 2.176 179.753 177.584 -0.013 0.000 1.178 345 A CA 2.130 54.157 52.037 -0.017 0.000 0.642 345 A CB -0.664 18.329 19.000 -0.013 0.000 0.816 345 A HN 0.192 nan 8.150 nan 0.000 0.453 346 R N -1.010 119.482 120.500 -0.012 0.000 2.081 346 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 346 R C 1.738 178.033 176.300 -0.007 0.000 1.131 346 R CA 1.505 57.602 56.100 -0.005 0.000 0.960 346 R CB -0.345 29.956 30.300 0.003 0.000 0.856 346 R HN 0.397 nan 8.270 nan 0.000 0.436 347 L N 1.289 122.501 121.223 -0.017 0.000 2.201 347 L HA -0.085 4.255 4.340 -0.000 0.000 0.212 347 L C 2.860 179.723 176.870 -0.012 0.000 1.105 347 L CA 2.275 57.106 54.840 -0.016 0.000 0.775 347 L CB -0.739 41.304 42.059 -0.027 0.000 0.913 347 L HN 0.263 nan 8.230 nan 0.000 0.440 348 K N -0.089 120.303 120.400 -0.013 0.000 2.026 348 K HA -0.020 4.300 4.320 -0.000 0.000 0.208 348 K C 2.292 178.888 176.600 -0.006 0.000 1.048 348 K CA 2.022 58.302 56.287 -0.010 0.000 0.929 348 K CB -1.857 30.636 32.500 -0.011 0.000 0.713 348 K HN 0.298 nan 8.250 nan 0.000 0.439 349 L N 0.765 121.985 121.223 -0.005 0.000 2.191 349 L HA -0.055 4.285 4.340 -0.000 0.000 0.212 349 L C 2.734 179.604 176.870 -0.000 0.000 1.103 349 L CA 2.940 57.779 54.840 -0.002 0.000 0.769 349 L CB -1.472 40.587 42.059 -0.000 0.000 0.908 349 L HN 0.549 nan 8.230 nan 0.000 0.438 350 S N -0.901 114.798 115.700 -0.001 0.000 2.335 350 S HA -0.029 4.441 4.470 -0.000 0.000 0.217 350 S C 2.500 177.100 174.600 0.000 0.000 1.032 350 S CA 1.592 59.793 58.200 0.001 0.000 0.985 350 S CB -0.469 62.732 63.200 0.002 0.000 0.896 350 S HN 0.916 nan 8.310 nan 0.000 0.445 351 E N 1.379 121.577 120.200 -0.002 0.000 2.033 351 E HA -0.230 4.120 4.350 -0.000 0.000 0.199 351 E C 2.044 178.643 176.600 -0.002 0.000 1.011 351 E CA 2.287 58.685 56.400 -0.002 0.000 0.815 351 E CB -1.837 27.860 29.700 -0.004 0.000 0.755 351 E HN 0.739 nan 8.360 nan 0.000 0.451 352 E N -0.033 120.166 120.200 -0.002 0.000 2.035 352 E HA -0.044 4.306 4.350 -0.000 0.000 0.204 352 E C 2.752 179.351 176.600 -0.001 0.000 1.025 352 E CA 3.412 59.811 56.400 -0.002 0.000 0.835 352 E CB -1.691 28.008 29.700 -0.002 0.000 0.764 352 E HN 1.442 nan 8.360 nan 0.000 0.457 353 L N 0.158 121.381 121.223 0.000 0.000 2.089 353 L HA 0.279 4.619 4.340 -0.000 0.000 0.213 353 L C 2.431 179.302 176.870 0.001 0.000 1.079 353 L CA 2.979 57.820 54.840 0.001 0.000 0.758 353 L CB -2.055 40.006 42.059 0.002 0.000 0.891 353 L HN 0.936 nan 8.230 nan 0.000 0.433 360 P HA 0.389 nan 4.420 nan 0.000 0.297 360 P C -0.574 176.721 177.300 -0.008 0.000 1.319 360 P CA -0.622 62.476 63.100 -0.003 0.000 0.810 360 P CB 1.543 33.241 31.700 -0.004 0.000 0.947 361 K N 4.236 124.633 120.400 -0.005 0.000 2.511 361 K HA 0.070 4.390 4.320 -0.000 0.000 0.280 361 K C -1.906 174.682 176.600 -0.020 0.000 1.008 361 K CA -0.974 55.307 56.287 -0.009 0.000 1.050 361 K CB -0.236 32.263 32.500 -0.003 0.000 0.889 361 K HN 0.297 nan 8.250 nan 0.000 0.484 362 P HA -0.076 nan 4.420 nan 0.000 0.269 362 P C -0.679 176.586 177.300 -0.057 0.000 1.211 362 P CA 0.176 63.250 63.100 -0.044 0.000 0.781 362 P CB 0.290 31.968 31.700 -0.038 0.000 0.877 363 I N -1.812 118.697 120.570 -0.102 0.000 2.404 363 I HA 0.449 4.619 4.170 -0.000 0.000 0.293 363 I C -0.354 175.677 176.117 -0.143 0.000 0.992 363 I CA -0.935 60.280 61.300 -0.142 0.000 1.149 363 I CB 1.852 39.683 38.000 -0.282 0.000 1.315 363 I HN 0.070 nan 8.210 nan 0.000 0.446 364 D N 6.083 126.436 120.400 -0.078 0.000 2.393 364 D HA 0.267 4.907 4.640 -0.000 0.000 0.232 364 D C -0.508 175.780 176.300 -0.020 0.000 1.192 364 D CA -0.157 53.819 54.000 -0.040 0.000 0.882 364 D CB 1.070 41.871 40.800 0.002 0.000 1.038 364 D HN 0.361 nan 8.370 nan 0.000 0.499 365 V N 5.176 125.060 119.914 -0.050 0.000 2.353 365 V HA 0.231 4.351 4.120 -0.000 0.000 0.264 365 V C 0.354 176.476 176.094 0.047 0.000 1.049 365 V CA -0.409 61.901 62.300 0.017 0.000 0.896 365 V CB 0.741 32.547 31.823 -0.029 0.000 1.025 365 V HN 0.478 nan 8.190 nan 0.000 0.475 366 Q N 3.374 123.223 119.800 0.082 0.000 2.325 366 Q HA 0.533 4.873 4.340 -0.000 0.000 0.270 366 Q C -1.398 174.650 176.000 0.080 0.000 1.020 366 Q CA -0.509 55.334 55.803 0.068 0.000 0.785 366 Q CB 2.520 31.297 28.738 0.064 0.000 1.259 366 Q HN 0.584 nan 8.270 nan 0.000 0.452 367 V N 5.725 125.680 119.914 0.068 0.000 2.294 367 V HA 0.237 4.357 4.120 -0.000 0.000 0.272 367 V C 0.029 176.170 176.094 0.078 0.000 1.027 367 V CA -0.576 61.769 62.300 0.075 0.000 0.823 367 V CB 0.873 32.734 31.823 0.063 0.000 1.030 367 V HN 0.678 nan 8.190 nan 0.000 0.457 368 I N 5.079 125.705 120.570 0.093 0.000 2.471 368 I HA 0.281 4.451 4.170 -0.000 0.000 0.286 368 I C 0.709 176.892 176.117 0.109 0.000 1.079 368 I CA 0.552 61.916 61.300 0.107 0.000 1.398 368 I CB 1.043 39.123 38.000 0.134 0.000 1.403 368 I HN 0.705 nan 8.210 nan 0.000 0.530 369 T N 4.687 119.285 114.554 0.074 0.000 2.881 369 T HA 0.609 4.959 4.350 -0.000 0.000 0.290 369 T C -0.474 174.200 174.700 -0.043 0.000 1.000 369 T CA -0.738 61.350 62.100 -0.021 0.000 0.978 369 T CB 1.807 70.650 68.868 -0.042 0.000 0.997 369 T HN 0.708 nan 8.240 nan 0.000 0.443 370 H N 1.694 120.710 119.070 -0.090 0.000 2.824 370 H HA 0.493 5.049 4.556 -0.000 0.000 0.345 370 H C 0.152 175.355 175.328 -0.210 0.000 1.252 370 H CA -0.771 55.192 56.048 -0.141 0.000 1.246 370 H CB 0.706 30.430 29.762 -0.063 0.000 1.908 370 H HN 0.633 nan 8.280 nan 0.000 0.601 371 H N 0.182 119.272 119.070 0.035 0.000 2.428 371 H HA 0.032 4.588 4.556 0.000 0.000 0.296 371 H C 1.418 176.696 175.328 -0.083 0.000 1.062 371 H CA 0.952 56.967 56.048 -0.055 0.000 1.350 371 H CB 0.437 30.174 29.762 -0.042 0.000 1.403 371 H HN 0.348 nan 8.280 nan 0.000 0.533 372 M N 1.120 120.812 119.600 0.153 0.000 2.691 372 M HA -0.008 4.471 4.480 -0.000 0.000 0.227 372 M C 1.653 178.011 176.300 0.097 0.000 1.120 372 M CA 0.344 55.668 55.300 0.040 0.000 1.034 372 M CB -0.644 31.724 32.600 -0.388 0.000 1.675 372 M HN 0.279 nan 8.290 nan 0.000 0.514 373 Q N 0.376 120.045 119.800 -0.219 0.000 2.096 373 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 373 Q C 2.148 178.024 176.000 -0.207 0.000 0.982 373 Q CA 1.458 57.071 55.803 -0.315 0.000 0.850 373 Q CB -0.242 28.195 28.738 -0.501 0.000 0.901 373 Q HN 0.521 nan 8.270 nan 0.000 0.422 374 R N -0.107 120.191 120.500 -0.336 0.000 2.127 374 R HA -0.169 4.171 4.340 -0.000 0.000 0.238 374 R C 0.349 176.300 176.300 -0.582 0.000 1.134 374 R CA 1.414 57.176 56.100 -0.564 0.000 0.975 374 R CB 0.119 29.879 30.300 -0.899 0.000 0.865 374 R HN 0.334 nan 8.270 nan 0.000 0.447 375 Y N -1.589 118.752 120.300 0.068 0.000 2.672 375 Y HA 0.380 4.930 4.550 0.000 0.000 0.272 375 Y C 1.201 177.254 175.900 0.255 0.000 1.055 375 Y CA -0.328 57.861 58.100 0.149 0.000 1.151 375 Y CB 0.749 39.288 38.460 0.132 0.000 1.190 375 Y HN 0.075 nan 8.280 nan 0.000 0.574 376 A N 0.080 123.070 122.820 0.282 0.000 1.927 376 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 376 A C 2.123 179.877 177.584 0.282 0.000 1.185 376 A CA 2.487 54.719 52.037 0.326 0.000 0.639 376 A CB -0.838 18.336 19.000 0.290 0.000 0.820 376 A HN 0.332 nan 8.150 nan 0.000 0.451 377 V N -2.457 117.593 119.914 0.226 0.000 2.261 377 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 377 V C 2.182 178.373 176.094 0.162 0.000 1.047 377 V CA 1.961 64.349 62.300 0.147 0.000 1.015 377 V CB -0.993 30.908 31.823 0.130 0.000 0.642 377 V HN 0.866 nan 8.190 nan 0.000 0.446 378 W N 0.022 121.388 121.300 0.109 0.000 2.363 378 W HA -0.237 4.423 4.660 -0.000 0.000 0.296 378 W C 2.304 178.855 176.519 0.053 0.000 1.212 378 W CA 1.655 59.038 57.345 0.064 0.000 1.260 378 W CB -0.342 29.158 29.460 0.067 0.000 1.131 378 W HN 0.316 nan 8.180 nan 0.000 0.530 379 F N 1.078 121.232 119.950 0.340 0.000 2.095 379 F HA -0.073 4.454 4.527 -0.000 0.000 0.298 379 F C 2.222 177.946 175.800 -0.127 0.000 1.104 379 F CA 2.581 60.687 58.000 0.178 0.000 1.232 379 F CB -1.020 38.107 39.000 0.212 0.000 0.987 379 F HN -0.113 nan 8.300 nan 0.000 0.475 380 G N -0.434 108.208 108.800 -0.263 0.000 2.421 380 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.216 380 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.216 380 G C 1.951 176.541 174.900 -0.518 0.000 1.171 380 G CA 0.638 45.466 45.100 -0.454 0.000 0.775 380 G HN 0.637 nan 8.290 nan 0.000 0.543 381 G N 0.276 108.805 108.800 -0.452 0.000 2.442 381 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.219 381 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.219 381 G C 2.088 176.560 174.900 -0.714 0.000 1.141 381 G CA 1.635 46.434 45.100 -0.502 0.000 0.763 381 G HN 0.506 nan 8.290 nan 0.000 0.554 382 S N -0.544 114.576 115.700 -0.966 0.000 2.368 382 S HA -0.060 4.410 4.470 -0.000 0.000 0.224 382 S C 2.501 176.706 174.600 -0.657 0.000 1.029 382 S CA 1.290 58.895 58.200 -0.991 0.000 0.988 382 S CB -0.219 62.194 63.200 -1.312 0.000 0.838 382 S HN 0.175 nan 8.310 nan 0.000 0.462 383 M N 1.147 120.321 119.600 -0.710 0.000 2.077 383 M HA 0.054 4.534 4.480 -0.000 0.000 0.261 383 M C 2.194 178.280 176.300 -0.357 0.000 1.070 383 M CA 1.345 56.325 55.300 -0.533 0.000 1.125 383 M CB -1.666 30.526 32.600 -0.680 0.000 1.339 383 M HN 0.335 nan 8.290 nan 0.000 0.409 384 L N -0.261 120.733 121.223 -0.381 0.000 2.191 384 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 384 L C 2.285 178.991 176.870 -0.274 0.000 1.103 384 L CA 0.928 55.630 54.840 -0.229 0.000 0.769 384 L CB -0.758 41.115 42.059 -0.311 0.000 0.908 384 L HN 0.265 nan 8.230 nan 0.000 0.438 385 A N -1.411 121.047 122.820 -0.603 0.000 2.238 385 A HA 0.016 4.336 4.320 -0.000 0.000 0.208 385 A C 2.154 179.414 177.584 -0.540 0.000 1.177 385 A CA 0.805 52.162 52.037 -1.133 0.000 0.804 385 A CB -0.152 18.082 19.000 -1.276 0.000 0.823 385 A HN 0.352 nan 8.150 nan 0.000 0.482 386 S N -0.449 115.101 115.700 -0.249 0.000 2.492 386 S HA 0.027 4.497 4.470 -0.000 0.000 0.218 386 S C 1.242 175.870 174.600 0.047 0.000 1.016 386 S CA 0.522 58.687 58.200 -0.059 0.000 0.916 386 S CB -0.204 62.946 63.200 -0.084 0.000 0.791 386 S HN 0.780 nan 8.310 nan 0.000 0.513 387 T N 1.242 115.824 114.554 0.048 0.000 2.813 387 T HA 0.241 4.591 4.350 -0.000 0.000 0.297 387 T C -2.156 172.640 174.700 0.161 0.000 1.036 387 T CA -1.269 60.887 62.100 0.094 0.000 1.044 387 T CB 0.744 69.687 68.868 0.125 0.000 0.993 387 T HN -0.139 nan 8.240 nan 0.000 0.535 388 P HA 0.058 nan 4.420 nan 0.000 0.218 388 P C 1.282 178.594 177.300 0.020 0.000 1.152 388 P CA 0.645 63.788 63.100 0.071 0.000 0.826 388 P CB 0.012 31.704 31.700 -0.014 0.000 0.790 389 E N -1.075 119.068 120.200 -0.094 0.000 2.401 389 E HA -0.203 4.147 4.350 -0.000 0.000 0.199 389 E C 1.529 177.716 176.600 -0.688 0.000 1.023 389 E CA 0.430 56.640 56.400 -0.317 0.000 0.859 389 E CB -0.596 28.927 29.700 -0.295 0.000 0.780 389 E HN 0.127 nan 8.360 nan 0.000 0.523 390 F N 0.152 119.708 119.950 -0.656 0.000 2.128 390 F HA -0.124 4.403 4.527 -0.000 0.000 0.295 390 F C 1.200 176.688 175.800 -0.521 0.000 1.100 390 F CA 1.282 58.829 58.000 -0.754 0.000 1.260 390 F CB -0.436 38.305 39.000 -0.432 0.000 1.009 390 F HN 0.034 nan 8.300 nan 0.000 0.476 391 Y N 0.634 120.635 120.300 -0.498 0.000 2.421 391 Y HA -0.114 4.436 4.550 -0.000 0.000 0.292 391 Y C 2.451 178.135 175.900 -0.359 0.000 1.136 391 Y CA 1.331 59.110 58.100 -0.535 0.000 1.255 391 Y CB -0.794 37.411 38.460 -0.424 0.000 0.991 391 Y HN 0.231 nan 8.280 nan 0.000 0.552 392 Q N -0.608 119.061 119.800 -0.219 0.000 2.187 392 Q HA -0.071 4.269 4.340 -0.000 0.000 0.199 392 Q C 2.131 178.001 176.000 -0.218 0.000 0.957 392 Q CA 1.510 57.208 55.803 -0.175 0.000 0.857 392 Q CB 0.065 28.705 28.738 -0.164 0.000 0.929 392 Q HN 0.517 nan 8.270 nan 0.000 0.453 393 V N -3.324 116.368 119.914 -0.371 0.000 3.506 393 V HA 0.126 4.246 4.120 -0.000 0.000 0.263 393 V C 0.935 176.846 176.094 -0.306 0.000 1.203 393 V CA -0.405 61.721 62.300 -0.291 0.000 1.133 393 V CB -0.423 31.236 31.823 -0.273 0.000 0.802 393 V HN 0.135 nan 8.190 nan 0.000 0.459 394 C N 2.084 121.165 119.300 -0.365 0.000 2.653 394 C HA 0.310 4.769 4.460 -0.000 0.000 0.421 394 C C 0.702 175.607 174.990 -0.142 0.000 1.334 394 C CA -0.090 58.786 59.018 -0.237 0.000 1.885 394 C CB -1.145 26.470 27.740 -0.208 0.000 2.645 394 C HN 0.646 nan 8.230 nan 0.000 0.601 395 H N 1.178 120.335 119.070 0.145 0.000 2.767 395 H HA 0.355 4.911 4.556 -0.000 0.000 0.316 395 H C 0.884 176.310 175.328 0.164 0.000 1.059 395 H CA 0.222 56.358 56.048 0.146 0.000 1.461 395 H CB 0.544 30.410 29.762 0.173 0.000 1.475 395 H HN 0.749 nan 8.280 nan 0.000 0.531 396 T N -0.503 114.170 114.554 0.200 0.000 2.847 396 T HA 0.116 4.466 4.350 -0.000 0.000 0.279 396 T C 1.449 176.220 174.700 0.118 0.000 0.984 396 T CA -1.041 61.150 62.100 0.151 0.000 0.988 396 T CB 1.471 70.418 68.868 0.133 0.000 1.040 396 T HN 0.676 nan 8.240 nan 0.000 0.528 397 K N 0.472 120.973 120.400 0.168 0.000 2.026 397 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 397 K C 2.320 178.928 176.600 0.014 0.000 1.048 397 K CA 1.456 57.806 56.287 0.105 0.000 0.929 397 K CB -0.251 32.383 32.500 0.224 0.000 0.713 397 K HN 0.712 nan 8.250 nan 0.000 0.439 398 K N 0.624 121.055 120.400 0.052 0.000 2.020 398 K HA -0.217 4.103 4.320 -0.000 0.000 0.212 398 K C 1.532 178.130 176.600 -0.004 0.000 1.050 398 K CA 2.276 58.582 56.287 0.031 0.000 0.929 398 K CB -0.158 32.369 32.500 0.044 0.000 0.714 398 K HN 0.206 nan 8.250 nan 0.000 0.443 399 D N -0.424 119.980 120.400 0.007 0.000 2.182 399 D HA -0.198 4.442 4.640 -0.000 0.000 0.201 399 D C 1.762 178.015 176.300 -0.078 0.000 0.986 399 D CA 1.022 55.017 54.000 -0.008 0.000 0.847 399 D CB -0.348 40.483 40.800 0.051 0.000 0.942 399 D HN 0.337 nan 8.370 nan 0.000 0.467 400 Y N 1.874 121.998 120.300 -0.294 0.000 2.145 400 Y HA -0.184 4.366 4.550 -0.000 0.000 0.286 400 Y C 2.083 177.809 175.900 -0.290 0.000 1.145 400 Y CA 1.676 59.496 58.100 -0.467 0.000 1.148 400 Y CB -0.056 37.747 38.460 -1.096 0.000 0.981 400 Y HN -0.043 nan 8.280 nan 0.000 0.507 401 E N -0.336 119.750 120.200 -0.190 0.000 2.107 401 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 401 E C 1.765 178.267 176.600 -0.163 0.000 0.982 401 E CA 1.355 57.652 56.400 -0.171 0.000 0.809 401 E CB -0.046 29.633 29.700 -0.034 0.000 0.756 401 E HN 0.652 nan 8.360 nan 0.000 0.459 402 E N -0.254 119.874 120.200 -0.121 0.000 2.447 402 E HA 0.063 4.413 4.350 -0.000 0.000 0.195 402 E C 1.444 177.981 176.600 -0.105 0.000 1.028 402 E CA 0.385 56.730 56.400 -0.091 0.000 0.876 402 E CB 0.508 30.179 29.700 -0.049 0.000 0.885 402 E HN 0.279 nan 8.360 nan 0.000 0.500 403 I N -0.693 119.789 120.570 -0.146 0.000 4.624 403 I HA 0.230 4.400 4.170 -0.000 0.000 0.327 403 I C 0.792 176.790 176.117 -0.197 0.000 1.295 403 I CA 0.101 61.321 61.300 -0.134 0.000 1.267 403 I CB 1.207 39.153 38.000 -0.090 0.000 1.249 403 I HN 0.073 nan 8.210 nan 0.000 0.440 404 G N 2.312 110.913 108.800 -0.331 0.000 2.612 404 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.686 404 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.686 404 G C -2.371 172.240 174.900 -0.482 0.000 1.274 404 G CA -0.386 44.447 45.100 -0.444 0.000 0.849 404 G HN -0.059 nan 8.290 nan 0.000 0.595 405 P HA -0.143 nan 4.420 nan 0.000 0.222 405 P C 1.890 179.137 177.300 -0.088 0.000 1.142 405 P CA 2.050 65.068 63.100 -0.136 0.000 0.788 405 P CB -0.219 31.474 31.700 -0.012 0.000 0.767 406 S N 1.413 117.034 115.700 -0.131 0.000 2.383 406 S HA -0.197 4.273 4.470 -0.000 0.000 0.229 406 S C 2.178 176.716 174.600 -0.103 0.000 1.030 406 S CA 1.356 59.496 58.200 -0.101 0.000 1.002 406 S CB -1.869 61.278 63.200 -0.088 0.000 0.829 406 S HN 0.358 nan 8.310 nan 0.000 0.467 407 I N -0.038 120.453 120.570 -0.132 0.000 2.399 407 I HA -0.146 4.024 4.170 -0.000 0.000 0.254 407 I C 1.646 177.458 176.117 -0.509 0.000 1.146 407 I CA 1.279 62.472 61.300 -0.178 0.000 1.412 407 I CB -1.117 36.815 38.000 -0.115 0.000 1.076 407 I HN 0.285 nan 8.210 nan 0.000 0.432 408 C N 0.889 119.939 119.300 -0.416 0.000 2.576 408 C HA 0.179 4.639 4.460 -0.000 0.000 0.267 408 C C 2.624 177.525 174.990 -0.149 0.000 1.364 408 C CA -0.038 58.730 59.018 -0.416 0.000 1.723 408 C CB -1.782 25.904 27.740 -0.090 0.000 1.778 408 C HN 0.497 nan 8.230 nan 0.000 0.572 409 R N -0.009 120.439 120.500 -0.087 0.000 2.148 409 R HA -0.029 4.311 4.340 -0.000 0.000 0.223 409 R C 0.623 176.982 176.300 0.097 0.000 1.088 409 R CA 0.860 56.959 56.100 -0.002 0.000 0.985 409 R CB -0.072 30.226 30.300 -0.004 0.000 0.880 409 R HN 0.640 nan 8.270 nan 0.000 0.451 410 H N -0.150 118.949 119.070 0.048 0.000 2.589 410 H HA 0.336 4.892 4.556 -0.000 0.000 0.351 410 H C -1.319 174.186 175.328 0.295 0.000 1.074 410 H CA -0.814 55.322 56.048 0.146 0.000 1.203 410 H CB 0.884 30.728 29.762 0.137 0.000 1.558 410 H HN -0.098 nan 8.280 nan 0.000 0.522 411 N N 6.689 125.157 118.700 -0.387 0.000 2.569 411 N HA 0.192 4.932 4.740 -0.000 0.000 0.254 411 N C -2.788 172.599 175.510 -0.205 0.000 1.004 411 N CA -1.559 51.380 53.050 -0.184 0.000 0.904 411 N CB 1.909 40.247 38.487 -0.249 0.000 1.165 411 N HN 0.494 nan 8.380 nan 0.000 0.513 412 P HA -0.128 nan 4.420 nan 0.000 0.257 412 P C 0.072 177.570 177.300 0.331 0.000 1.162 412 P CA 0.245 63.450 63.100 0.173 0.000 0.762 412 P CB 0.560 32.385 31.700 0.210 0.000 0.753 413 V N 6.134 126.177 119.914 0.215 0.000 2.732 413 V HA 0.614 4.734 4.120 -0.000 0.000 0.297 413 V C -0.297 175.900 176.094 0.172 0.000 1.060 413 V CA 0.162 62.492 62.300 0.050 0.000 1.038 413 V CB -0.193 31.422 31.823 -0.345 0.000 1.003 413 V HN 0.511 nan 8.190 nan 0.000 0.481 414 F N 0.000 119.954 119.950 0.007 0.000 2.286 414 F HA 0.000 4.527 4.527 0.000 0.000 0.279 414 F CA 0.000 58.015 58.000 0.025 0.000 1.383 414 F CB 0.000 38.999 39.000 -0.002 0.000 1.145 414 F HN 0.000 nan 8.300 nan 0.000 0.574