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 3iem_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRIVPFGAAR EVTGSAHLLL AGGRRVLLDC GMFQGKEEAR NHAPFGFDPK DATA SEQUENCE EVDAVLLTHA HLDHVGRLPK LFREGYRGPV YATRATVLLM EIVLEDALKV DATA SEQUENCE MDEPFFGPED VEEALGHLRP LEYGEWLRLG ALSLAFGQAG HLPGSAFVVA DATA SEQUENCE QGEGRTLVYS GDLGNREKDV LPDPSLPPLA DLVLAEGTYG DRPHRPYRET DATA SEQUENCE VREFLEILEK TLSQGGKVLI PTFAVERAQE ILYVLYTHGH RLPRAPIYLD DATA SEQUENCE SPMAGRVLSL YPRLVRYFSE EVQAHFLQGK NPFRPAGLEV VEHTEASKAL DATA SEQUENCE NRAPGPMVVL AGSGMLAGGR ILHHLKHGLS DPRNALVFVG YQPQGGLGAE DATA SEQUENCE IIARPPAVRI LGEEVPLRAS VHTLGGFSGH AGQDELLDWL QGEPRVVLVH DATA SEQUENCE GEEEKLLALG KLLALRGQEV SLARFGEGVP V 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.289 176.300 -0.018 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.011 0.000 0.988 1 M CB 0.000 32.598 32.600 -0.004 0.000 1.302 2 R N 2.753 123.237 120.500 -0.026 0.000 2.803 2 R HA 0.826 5.167 4.340 0.001 0.000 0.276 2 R C -1.398 174.869 176.300 -0.055 0.000 0.978 2 R CA -0.854 55.222 56.100 -0.039 0.000 0.939 2 R CB 2.714 32.990 30.300 -0.039 0.000 1.179 2 R HN 0.637 nan 8.270 nan 0.000 0.472 3 I N 1.699 122.222 120.570 -0.078 0.000 2.439 3 I HA 0.285 4.456 4.170 0.001 0.000 0.285 3 I C -1.391 174.631 176.117 -0.159 0.000 1.021 3 I CA -0.568 60.667 61.300 -0.108 0.000 1.091 3 I CB 1.907 39.839 38.000 -0.112 0.000 1.242 3 I HN 0.282 nan 8.210 nan 0.000 0.439 4 V N 9.466 129.261 119.914 -0.198 0.000 2.328 4 V HA 0.469 4.589 4.120 0.001 0.000 0.278 4 V C -2.297 173.493 176.094 -0.506 0.000 1.021 4 V CA -1.720 60.347 62.300 -0.387 0.000 0.838 4 V CB 0.971 32.528 31.823 -0.444 0.000 0.999 4 V HN 0.625 nan 8.190 nan 0.000 0.447 5 P HA 0.257 nan 4.420 nan 0.000 0.276 5 P C -0.470 176.511 177.300 -0.531 0.000 1.264 5 P CA 0.130 63.111 63.100 -0.199 0.000 0.769 5 P CB 0.131 31.753 31.700 -0.130 0.000 0.840 6 F N 3.059 122.946 119.950 -0.105 0.000 2.855 6 F HA 0.543 5.070 4.527 0.001 0.000 0.317 6 F C 1.148 177.007 175.800 0.098 0.000 1.169 6 F CA 0.023 57.856 58.000 -0.279 0.000 1.299 6 F CB 0.515 39.513 39.000 -0.003 0.000 0.962 6 F HN 0.381 nan 8.300 nan 0.000 0.506 7 G N -1.511 107.470 108.800 0.302 0.000 2.325 7 G HA2 0.488 4.449 3.960 0.001 0.000 0.297 7 G HA3 0.488 4.449 3.960 0.001 0.000 0.297 7 G C 0.052 175.102 174.900 0.251 0.000 1.448 7 G CA -0.078 45.227 45.100 0.343 0.000 0.838 7 G HN 0.649 nan 8.290 nan 0.000 0.579 8 A N -2.009 120.941 122.820 0.217 0.000 2.816 8 A HA 0.219 4.540 4.320 0.001 0.000 0.270 8 A C 1.204 178.911 177.584 0.206 0.000 1.413 8 A CA 2.013 54.152 52.037 0.171 0.000 0.866 8 A CB -1.563 17.545 19.000 0.181 0.000 1.032 8 A HN 2.627 nan 8.150 nan 0.000 0.642 9 A N -1.264 121.705 122.820 0.249 0.000 2.316 9 A HA 0.671 4.992 4.320 0.001 0.000 0.311 9 A C 1.149 178.813 177.584 0.133 0.000 1.339 9 A CA 0.665 52.815 52.037 0.188 0.000 0.960 9 A CB 0.039 19.177 19.000 0.231 0.000 1.152 9 A HN 1.415 nan 8.150 nan 0.000 0.547 10 R N -0.606 119.943 120.500 0.082 0.000 3.922 10 R HA -0.165 4.176 4.340 0.001 0.000 0.447 10 R C 0.460 176.775 176.300 0.025 0.000 1.035 10 R CA 2.186 58.313 56.100 0.044 0.000 1.289 10 R CB -1.379 28.944 30.300 0.038 0.000 1.906 10 R HN 0.977 nan 8.270 nan 0.000 0.540 11 E N -0.528 119.696 120.200 0.039 0.000 2.393 11 E HA 0.430 4.781 4.350 0.001 0.000 0.265 11 E C 0.754 177.322 176.600 -0.052 0.000 0.941 11 E CA -0.086 56.319 56.400 0.008 0.000 0.801 11 E CB 1.345 31.080 29.700 0.059 0.000 1.313 11 E HN 0.031 nan 8.360 nan 0.000 0.435 12 V N -1.790 118.039 119.914 -0.143 0.000 2.825 12 V HA 0.093 4.213 4.120 0.001 0.000 0.246 12 V C 1.074 176.913 176.094 -0.425 0.000 1.068 12 V CA 1.520 63.580 62.300 -0.400 0.000 1.088 12 V CB -0.395 31.158 31.823 -0.449 0.000 0.733 12 V HN 0.768 nan 8.190 nan 0.000 0.468 13 T N -2.938 111.527 114.554 -0.148 0.000 2.884 13 T HA 0.638 4.989 4.350 0.001 0.000 0.277 13 T C 1.205 175.786 174.700 -0.198 0.000 0.976 13 T CA 0.361 62.393 62.100 -0.114 0.000 0.956 13 T CB 0.904 69.765 68.868 -0.011 0.000 1.113 13 T HN 1.744 nan 8.240 nan 0.000 0.554 14 G N 0.143 108.638 108.800 -0.509 0.000 2.157 14 G HA2 -0.258 3.703 3.960 0.001 0.000 0.248 14 G HA3 -0.258 3.703 3.960 0.001 0.000 0.248 14 G C 0.285 174.799 174.900 -0.644 0.000 0.979 14 G CA 0.055 44.450 45.100 -1.175 0.000 0.650 14 G HN 1.114 nan 8.290 nan 0.000 0.529 15 S N 0.547 115.990 115.700 -0.429 0.000 3.116 15 S HA 0.379 4.849 4.470 0.001 0.000 0.367 15 S C 0.571 174.879 174.600 -0.486 0.000 1.202 15 S CA 1.220 59.152 58.200 -0.448 0.000 1.018 15 S CB 0.389 63.199 63.200 -0.650 0.000 0.726 15 S HN 2.021 nan 8.310 nan 0.000 0.506 16 A N 4.897 127.273 122.820 -0.739 0.000 2.521 16 A HA 0.516 4.836 4.320 0.001 0.000 0.298 16 A C -1.223 176.001 177.584 -0.601 0.000 1.044 16 A CA -0.814 50.948 52.037 -0.458 0.000 0.911 16 A CB 0.901 19.876 19.000 -0.042 0.000 1.376 16 A HN 0.790 nan 8.150 nan 0.000 0.392 17 H N 2.387 121.391 119.070 -0.109 0.000 2.689 17 H HA 0.474 5.031 4.556 0.001 0.000 0.346 17 H C -1.257 173.963 175.328 -0.180 0.000 1.037 17 H CA -0.749 55.194 56.048 -0.176 0.000 1.234 17 H CB 1.939 31.475 29.762 -0.377 0.000 1.572 17 H HN 0.544 nan 8.280 nan 0.000 0.524 18 L N 4.282 125.495 121.223 -0.018 0.000 2.260 18 L HA 0.213 4.554 4.340 0.001 0.000 0.289 18 L C -0.687 176.121 176.870 -0.105 0.000 1.057 18 L CA -0.601 54.154 54.840 -0.142 0.000 0.811 18 L CB 0.418 42.380 42.059 -0.162 0.000 1.184 18 L HN 0.451 nan 8.230 nan 0.000 0.429 19 L N 6.489 127.649 121.223 -0.106 0.000 2.276 19 L HA 0.492 4.833 4.340 0.001 0.000 0.286 19 L C -1.153 175.679 176.870 -0.063 0.000 1.061 19 L CA 0.132 54.930 54.840 -0.070 0.000 0.807 19 L CB 0.740 42.773 42.059 -0.044 0.000 1.177 19 L HN 0.545 nan 8.230 nan 0.000 0.429 20 L N 6.711 127.907 121.223 -0.047 0.000 2.318 20 L HA 0.907 5.247 4.340 0.001 0.000 0.277 20 L C -0.263 176.594 176.870 -0.022 0.000 1.008 20 L CA -0.284 54.536 54.840 -0.034 0.000 0.846 20 L CB 1.027 43.070 42.059 -0.028 0.000 1.220 20 L HN 0.900 nan 8.230 nan 0.000 0.423 21 A N 1.548 124.357 122.820 -0.017 0.000 2.522 21 A HA 0.623 4.944 4.320 0.001 0.000 0.291 21 A C 0.423 178.003 177.584 -0.007 0.000 1.039 21 A CA 0.006 52.037 52.037 -0.009 0.000 0.643 21 A CB 0.638 19.635 19.000 -0.005 0.000 1.310 21 A HN 0.910 nan 8.150 nan 0.000 0.436 22 G N -0.684 108.114 108.800 -0.004 0.000 2.269 22 G HA2 0.229 4.189 3.960 0.001 0.000 0.277 22 G HA3 0.229 4.189 3.960 0.001 0.000 0.277 22 G C 1.870 176.768 174.900 -0.004 0.000 1.008 22 G CA 1.657 46.755 45.100 -0.004 0.000 0.774 22 G HN 3.002 nan 8.290 nan 0.000 0.511 23 G N -1.933 106.864 108.800 -0.004 0.000 2.198 23 G HA2 -0.114 3.847 3.960 0.001 0.000 0.257 23 G HA3 -0.114 3.847 3.960 0.001 0.000 0.257 23 G C 0.225 175.124 174.900 -0.002 0.000 1.042 23 G CA 1.069 46.167 45.100 -0.003 0.000 0.791 23 G HN 1.115 nan 8.290 nan 0.000 0.502 24 R N -1.355 119.141 120.500 -0.006 0.000 2.752 24 R HA 0.563 4.904 4.340 0.001 0.000 0.271 24 R C -0.411 175.877 176.300 -0.020 0.000 1.026 24 R CA -0.922 55.173 56.100 -0.007 0.000 0.901 24 R CB 1.090 31.388 30.300 -0.003 0.000 1.243 24 R HN 0.307 nan 8.270 nan 0.000 0.463 25 R N 0.665 121.148 120.500 -0.029 0.000 2.371 25 R HA 0.487 4.828 4.340 0.001 0.000 0.312 25 R C -0.834 175.414 176.300 -0.087 0.000 0.980 25 R CA -0.686 55.374 56.100 -0.066 0.000 0.867 25 R CB 1.969 32.220 30.300 -0.081 0.000 1.163 25 R HN 0.146 nan 8.270 nan 0.000 0.492 26 V N 4.869 124.727 119.914 -0.092 0.000 2.357 26 V HA 0.232 4.352 4.120 0.001 0.000 0.284 26 V C -0.404 175.607 176.094 -0.139 0.000 1.018 26 V CA -0.882 61.366 62.300 -0.088 0.000 0.841 26 V CB 1.679 33.477 31.823 -0.042 0.000 0.991 26 V HN 0.506 nan 8.190 nan 0.000 0.437 27 L N 6.787 127.890 121.223 -0.201 0.000 2.319 27 L HA 0.455 4.796 4.340 0.001 0.000 0.280 27 L C -0.595 176.219 176.870 -0.095 0.000 1.099 27 L CA 0.102 54.795 54.840 -0.244 0.000 0.828 27 L CB 0.879 42.701 42.059 -0.395 0.000 1.150 27 L HN 0.417 nan 8.230 nan 0.000 0.442 28 L N 5.969 127.159 121.223 -0.055 0.000 2.272 28 L HA 0.482 4.822 4.340 0.001 0.000 0.284 28 L C -0.388 176.538 176.870 0.093 0.000 1.045 28 L CA -0.028 54.864 54.840 0.087 0.000 0.842 28 L CB -0.301 41.786 42.059 0.048 0.000 1.224 28 L HN 0.690 nan 8.230 nan 0.000 0.430 29 D N 1.319 121.811 120.400 0.154 0.000 10.822 29 D HA -0.252 4.389 4.640 0.001 0.000 0.356 29 D C -0.327 175.963 176.300 -0.016 0.000 3.123 29 D CA 0.413 54.481 54.000 0.114 0.000 2.621 29 D CB -0.181 40.738 40.800 0.199 0.000 1.197 29 D HN 0.684 nan 8.370 nan 0.000 0.942 30 C N 2.290 121.586 119.300 -0.005 0.000 3.173 30 C HA 0.547 5.007 4.460 0.001 0.000 0.209 30 C C 0.656 175.661 174.990 0.025 0.000 1.229 30 C CA 0.460 59.491 59.018 0.021 0.000 1.109 30 C CB -0.674 27.093 27.740 0.045 0.000 1.833 30 C HN 0.679 nan 8.230 nan 0.000 0.626 31 G N 2.351 111.097 108.800 -0.089 0.000 2.562 31 G HA2 0.580 4.541 3.960 0.001 0.000 0.275 31 G HA3 0.580 4.541 3.960 0.001 0.000 0.275 31 G C -0.187 174.611 174.900 -0.171 0.000 1.196 31 G CA -0.453 44.589 45.100 -0.097 0.000 0.908 31 G HN 0.847 nan 8.290 nan 0.000 0.524 32 M N -0.725 118.825 119.600 -0.083 0.000 2.528 32 M HA 0.707 5.188 4.480 0.001 0.000 0.318 32 M C -1.192 174.982 176.300 -0.211 0.000 1.195 32 M CA -0.645 54.593 55.300 -0.102 0.000 1.000 32 M CB 1.476 34.208 32.600 0.221 0.000 1.615 32 M HN 0.212 nan 8.290 nan 0.000 0.469 33 F N 1.134 121.048 119.950 -0.060 0.000 2.389 33 F HA 0.468 4.996 4.527 0.001 0.000 0.337 33 F C 0.443 176.231 175.800 -0.020 0.000 1.112 33 F CA 0.145 58.108 58.000 -0.061 0.000 1.192 33 F CB 1.051 39.978 39.000 -0.122 0.000 1.185 33 F HN 0.629 nan 8.300 nan 0.000 0.552 34 Q N 0.340 120.250 119.800 0.183 0.000 2.615 34 Q HA 0.616 4.957 4.340 0.001 0.000 0.298 34 Q C 0.230 176.293 176.000 0.104 0.000 1.023 34 Q CA -0.652 55.227 55.803 0.128 0.000 0.768 34 Q CB 2.357 31.158 28.738 0.104 0.000 1.500 34 Q HN 0.866 nan 8.270 nan 0.000 0.441 35 G N 1.416 110.271 108.800 0.091 0.000 2.550 35 G HA2 -0.361 3.600 3.960 0.001 0.000 0.277 35 G HA3 -0.361 3.600 3.960 0.001 0.000 0.277 35 G C -0.215 174.718 174.900 0.055 0.000 1.190 35 G CA 0.432 45.577 45.100 0.076 0.000 0.971 35 G HN 0.517 nan 8.290 nan 0.000 0.559 36 K N 1.508 121.930 120.400 0.036 0.000 3.006 36 K HA 0.349 4.670 4.320 0.001 0.000 0.262 36 K C 0.713 177.300 176.600 -0.022 0.000 1.289 36 K CA 0.583 56.875 56.287 0.008 0.000 1.245 36 K CB -0.216 32.284 32.500 -0.000 0.000 1.614 36 K HN 0.449 nan 8.250 nan 0.000 0.322 37 E N -0.417 119.776 120.200 -0.012 0.000 2.641 37 E HA -0.056 4.295 4.350 0.001 0.000 0.201 37 E C 0.660 177.215 176.600 -0.075 0.000 0.921 37 E CA -0.067 56.280 56.400 -0.087 0.000 1.551 37 E CB 0.243 29.948 29.700 0.008 0.000 1.640 37 E HN 0.271 nan 8.360 nan 0.000 0.906 38 E N 1.957 122.170 120.200 0.021 0.000 2.257 38 E HA -0.314 4.037 4.350 0.001 0.000 0.229 38 E C 1.956 178.521 176.600 -0.059 0.000 1.089 38 E CA 1.983 58.402 56.400 0.033 0.000 0.947 38 E CB -0.412 29.341 29.700 0.088 0.000 0.808 38 E HN 0.289 nan 8.360 nan 0.000 0.471 39 A N 1.682 124.498 122.820 -0.006 0.000 1.948 39 A HA -0.240 4.080 4.320 0.001 0.000 0.220 39 A C 2.036 179.584 177.584 -0.059 0.000 1.177 39 A CA 2.115 54.201 52.037 0.081 0.000 0.636 39 A CB -0.691 18.324 19.000 0.025 0.000 0.815 39 A HN 0.394 nan 8.150 nan 0.000 0.449 40 R N -0.265 120.060 120.500 -0.292 0.000 2.323 40 R HA 0.103 4.443 4.340 0.001 0.000 0.198 40 R C 0.885 176.924 176.300 -0.435 0.000 0.988 40 R CA 0.976 56.815 56.100 -0.435 0.000 1.041 40 R CB -0.763 29.084 30.300 -0.754 0.000 0.926 40 R HN 0.616 nan 8.270 nan 0.000 0.476 41 N N 0.487 118.838 118.700 -0.582 0.000 2.494 41 N HA -0.052 4.688 4.740 0.001 0.000 0.182 41 N C 0.706 175.584 175.510 -1.054 0.000 1.076 41 N CA 0.283 52.804 53.050 -0.882 0.000 0.908 41 N CB 0.101 37.762 38.487 -1.376 0.000 0.967 41 N HN 0.412 nan 8.380 nan 0.000 0.449 42 H N -0.294 118.557 119.070 -0.364 0.000 2.595 42 H HA 0.252 4.809 4.556 0.001 0.000 0.265 42 H C 1.064 176.268 175.328 -0.206 0.000 0.953 42 H CA 0.006 55.921 56.048 -0.222 0.000 1.197 42 H CB 0.052 29.748 29.762 -0.109 0.000 1.438 42 H HN 0.126 nan 8.280 nan 0.000 0.531 43 A N 3.424 126.142 122.820 -0.170 0.000 2.346 43 A HA 0.264 4.585 4.320 0.001 0.000 0.255 43 A C -1.748 175.703 177.584 -0.222 0.000 1.113 43 A CA -0.879 51.059 52.037 -0.166 0.000 0.798 43 A CB -0.333 18.546 19.000 -0.201 0.000 1.073 43 A HN 0.067 nan 8.150 nan 0.000 0.502 44 P HA 0.290 nan 4.420 nan 0.000 0.281 44 P C 0.024 177.196 177.300 -0.214 0.000 1.249 44 P CA -0.348 62.635 63.100 -0.196 0.000 0.810 44 P CB 0.569 32.213 31.700 -0.094 0.000 1.008 45 F N 1.137 120.888 119.950 -0.333 0.000 2.120 45 F HA -0.050 4.477 4.527 0.001 0.000 0.300 45 F C 2.221 177.704 175.800 -0.528 0.000 1.095 45 F CA 2.762 60.422 58.000 -0.567 0.000 1.249 45 F CB -0.877 37.265 39.000 -1.430 0.000 0.995 45 F HN 0.642 nan 8.300 nan 0.000 0.480 46 G N -1.099 107.510 108.800 -0.318 0.000 2.211 46 G HA2 -0.192 3.768 3.960 0.001 0.000 0.201 46 G HA3 -0.192 3.768 3.960 0.001 0.000 0.201 46 G C 0.052 174.784 174.900 -0.280 0.000 0.997 46 G CA -0.130 44.890 45.100 -0.133 0.000 0.652 46 G HN 0.458 nan 8.290 nan 0.000 0.500 47 F N -0.332 119.373 119.950 -0.408 0.000 2.626 47 F HA 0.774 5.302 4.527 0.001 0.000 0.311 47 F C -0.790 174.904 175.800 -0.177 0.000 1.088 47 F CA -1.875 55.934 58.000 -0.317 0.000 0.949 47 F CB 1.177 39.873 39.000 -0.507 0.000 1.322 47 F HN -0.071 nan 8.300 nan 0.000 0.461 48 D N 3.927 124.372 120.400 0.074 0.000 2.338 48 D HA 0.242 4.882 4.640 0.001 0.000 0.255 48 D C -1.495 174.867 176.300 0.103 0.000 1.237 48 D CA -2.535 51.483 54.000 0.031 0.000 0.883 48 D CB 1.353 42.181 40.800 0.048 0.000 1.087 48 D HN 0.327 nan 8.370 nan 0.000 0.485 49 P HA -0.135 nan 4.420 nan 0.000 0.225 49 P C 0.595 177.937 177.300 0.069 0.000 1.148 49 P CA 0.835 63.927 63.100 -0.014 0.000 0.779 49 P CB 0.335 31.932 31.700 -0.172 0.000 0.780 50 K N -0.263 120.174 120.400 0.062 0.000 2.432 50 K HA -0.008 4.313 4.320 0.001 0.000 0.196 50 K C 1.201 177.843 176.600 0.069 0.000 1.038 50 K CA 0.554 56.879 56.287 0.063 0.000 0.986 50 K CB 0.083 32.602 32.500 0.033 0.000 0.782 50 K HN 0.081 nan 8.250 nan 0.000 0.485 51 E N 0.800 121.042 120.200 0.070 0.000 2.444 51 E HA 0.056 4.407 4.350 0.001 0.000 0.191 51 E C -0.353 176.265 176.600 0.030 0.000 1.041 51 E CA 0.067 56.498 56.400 0.051 0.000 0.883 51 E CB 0.485 30.215 29.700 0.049 0.000 1.024 51 E HN -0.061 nan 8.360 nan 0.000 0.470 52 V N 2.039 121.984 119.914 0.053 0.000 2.439 52 V HA 0.089 4.210 4.120 0.001 0.000 0.282 52 V C 1.056 177.250 176.094 0.166 0.000 1.039 52 V CA -0.316 61.976 62.300 -0.013 0.000 0.913 52 V CB 1.781 33.439 31.823 -0.276 0.000 0.983 52 V HN 0.020 nan 8.190 nan 0.000 0.460 53 D N 2.855 123.310 120.400 0.092 0.000 2.216 53 D HA 0.265 4.906 4.640 0.001 0.000 0.208 53 D C 0.569 176.996 176.300 0.212 0.000 0.960 53 D CA 1.155 55.233 54.000 0.130 0.000 0.861 53 D CB 0.904 41.741 40.800 0.061 0.000 0.985 53 D HN 0.655 nan 8.370 nan 0.000 0.493 54 A N -0.009 122.911 122.820 0.165 0.000 2.609 54 A HA 0.575 4.895 4.320 0.001 0.000 0.291 54 A C -1.481 176.156 177.584 0.089 0.000 1.096 54 A CA -0.531 51.649 52.037 0.239 0.000 0.684 54 A CB 1.866 21.014 19.000 0.246 0.000 1.282 54 A HN -0.104 nan 8.150 nan 0.000 0.412 55 V N 0.981 120.991 119.914 0.161 0.000 2.577 55 V HA 0.568 4.688 4.120 0.001 0.000 0.303 55 V C -1.228 174.982 176.094 0.192 0.000 1.042 55 V CA -0.358 61.970 62.300 0.047 0.000 0.872 55 V CB 1.402 33.179 31.823 -0.077 0.000 0.998 55 V HN 0.718 nan 8.190 nan 0.000 0.423 56 L N 5.434 126.756 121.223 0.165 0.000 2.346 56 L HA 0.620 4.961 4.340 0.001 0.000 0.276 56 L C -0.804 176.234 176.870 0.279 0.000 1.006 56 L CA -0.359 54.636 54.840 0.259 0.000 0.817 56 L CB 1.754 43.934 42.059 0.203 0.000 1.272 56 L HN 0.375 nan 8.230 nan 0.000 0.421 57 L N 2.467 123.875 121.223 0.309 0.000 2.298 57 L HA 0.372 4.713 4.340 0.001 0.000 0.284 57 L C 1.383 178.310 176.870 0.096 0.000 1.013 57 L CA -0.006 54.944 54.840 0.185 0.000 0.824 57 L CB 1.266 43.389 42.059 0.107 0.000 1.221 57 L HN 0.834 nan 8.230 nan 0.000 0.418 58 T N -0.316 114.265 114.554 0.046 0.000 2.867 58 T HA -0.014 4.337 4.350 0.001 0.000 0.268 58 T C 0.593 175.182 174.700 -0.185 0.000 1.057 58 T CA 1.353 63.372 62.100 -0.135 0.000 1.136 58 T CB -0.239 68.579 68.868 -0.083 0.000 0.874 58 T HN 0.691 nan 8.240 nan 0.000 0.466 59 H N -2.757 116.188 119.070 -0.208 0.000 2.887 59 H HA 0.606 5.163 4.556 0.001 0.000 0.290 59 H C 0.545 175.782 175.328 -0.151 0.000 1.429 59 H CA -0.425 55.477 56.048 -0.244 0.000 1.137 59 H CB 1.029 30.616 29.762 -0.293 0.000 1.824 59 H HN 0.014 nan 8.280 nan 0.000 0.520 60 A N -0.116 122.702 122.820 -0.003 0.000 2.208 60 A HA 0.039 4.360 4.320 0.001 0.000 0.209 60 A C 0.483 178.139 177.584 0.121 0.000 1.161 60 A CA 0.022 52.059 52.037 0.001 0.000 0.782 60 A CB -1.223 17.753 19.000 -0.040 0.000 0.816 60 A HN 0.643 nan 8.150 nan 0.000 0.477 61 H N -0.975 118.231 119.070 0.227 0.000 3.064 61 H HA 0.027 4.583 4.556 0.001 0.000 0.329 61 H C 1.297 176.716 175.328 0.153 0.000 1.020 61 H CA -0.360 55.813 56.048 0.207 0.000 1.402 61 H CB 0.733 30.700 29.762 0.342 0.000 1.379 61 H HN 0.228 nan 8.280 nan 0.000 0.594 62 L N 2.927 124.312 121.223 0.271 0.000 2.129 62 L HA -0.219 4.121 4.340 0.001 0.000 0.212 62 L C 1.965 178.940 176.870 0.174 0.000 1.087 62 L CA 1.842 56.796 54.840 0.189 0.000 0.757 62 L CB -0.494 41.662 42.059 0.162 0.000 0.896 62 L HN 0.799 nan 8.230 nan 0.000 0.434 63 D N -3.109 117.413 120.400 0.204 0.000 2.338 63 D HA -0.153 4.487 4.640 0.001 0.000 0.239 63 D C 1.252 177.587 176.300 0.059 0.000 1.095 63 D CA 0.703 54.777 54.000 0.123 0.000 0.888 63 D CB -0.264 40.614 40.800 0.131 0.000 0.899 63 D HN 0.564 nan 8.370 nan 0.000 0.525 64 H N -0.714 118.361 119.070 0.009 0.000 3.400 64 H HA 0.086 4.642 4.556 0.001 0.000 0.251 64 H C 1.668 176.973 175.328 -0.038 0.000 1.040 64 H CA 0.693 56.702 56.048 -0.064 0.000 1.175 64 H CB 1.621 31.222 29.762 -0.269 0.000 1.487 64 H HN 0.164 nan 8.280 nan 0.000 0.505 65 V N -2.622 117.359 119.914 0.113 0.000 3.556 65 V HA 0.407 4.528 4.120 0.001 0.000 0.287 65 V C 2.091 178.236 176.094 0.085 0.000 1.422 65 V CA 0.839 63.186 62.300 0.079 0.000 1.038 65 V CB 0.205 32.062 31.823 0.057 0.000 0.850 65 V HN 0.219 nan 8.190 nan 0.000 0.437 66 G N 1.435 110.306 108.800 0.119 0.000 2.503 66 G HA2 -0.265 3.695 3.960 0.001 0.000 0.221 66 G HA3 -0.265 3.695 3.960 0.001 0.000 0.221 66 G C 1.671 176.734 174.900 0.272 0.000 1.131 66 G CA 1.286 46.502 45.100 0.192 0.000 0.756 66 G HN 0.543 nan 8.290 nan 0.000 0.572 67 R N -0.745 119.895 120.500 0.234 0.000 2.334 67 R HA 0.273 4.614 4.340 0.001 0.000 0.216 67 R C 2.090 178.560 176.300 0.284 0.000 0.905 67 R CA -0.358 55.945 56.100 0.337 0.000 1.064 67 R CB -0.084 30.380 30.300 0.274 0.000 1.046 67 R HN 0.316 nan 8.270 nan 0.000 0.508 68 L N 2.658 123.973 121.223 0.153 0.000 2.051 68 L HA -0.138 4.203 4.340 0.001 0.000 0.214 68 L C -1.011 175.981 176.870 0.203 0.000 1.076 68 L CA 2.139 57.072 54.840 0.156 0.000 0.758 68 L CB -0.649 41.477 42.059 0.110 0.000 0.890 68 L HN 0.057 nan 8.230 nan 0.000 0.433 69 P HA -0.184 nan 4.420 nan 0.000 0.223 69 P C 1.357 178.741 177.300 0.139 0.000 1.151 69 P CA 1.358 64.397 63.100 -0.101 0.000 0.787 69 P CB -0.044 31.229 31.700 -0.712 0.000 0.788 70 K N -0.137 120.421 120.400 0.262 0.000 2.103 70 K HA -0.086 4.234 4.320 0.001 0.000 0.204 70 K C 2.156 179.029 176.600 0.454 0.000 1.052 70 K CA 0.544 57.083 56.287 0.420 0.000 0.945 70 K CB -0.577 32.206 32.500 0.471 0.000 0.722 70 K HN -0.066 nan 8.250 nan 0.000 0.443 71 L N 0.571 122.070 121.223 0.460 0.000 2.042 71 L HA -0.131 4.209 4.340 0.001 0.000 0.210 71 L C 1.840 178.743 176.870 0.056 0.000 1.076 71 L CA 1.674 56.582 54.840 0.113 0.000 0.749 71 L CB -0.369 41.536 42.059 -0.257 0.000 0.893 71 L HN 0.140 nan 8.230 nan 0.000 0.432 72 F N -0.379 119.638 119.950 0.112 0.000 2.084 72 F HA -0.156 4.372 4.527 0.001 0.000 0.296 72 F C 2.751 178.596 175.800 0.076 0.000 1.111 72 F CA 1.767 59.812 58.000 0.074 0.000 1.224 72 F CB -0.524 38.468 39.000 -0.014 0.000 0.991 72 F HN 0.007 nan 8.300 nan 0.000 0.471 73 R N 0.929 121.606 120.500 0.294 0.000 2.185 73 R HA -0.199 4.142 4.340 0.001 0.000 0.247 73 R C 1.060 177.462 176.300 0.170 0.000 1.159 73 R CA 1.799 58.029 56.100 0.216 0.000 0.988 73 R CB -0.349 30.091 30.300 0.235 0.000 0.871 73 R HN 0.374 nan 8.270 nan 0.000 0.458 74 E N -1.556 118.747 120.200 0.173 0.000 2.403 74 E HA 0.114 4.465 4.350 0.001 0.000 0.188 74 E C 0.628 177.274 176.600 0.077 0.000 1.056 74 E CA 0.307 56.784 56.400 0.128 0.000 0.892 74 E CB 0.919 30.720 29.700 0.169 0.000 1.049 74 E HN 0.652 nan 8.360 nan 0.000 0.465 75 G N 1.268 110.108 108.800 0.066 0.000 2.391 75 G HA2 -0.303 3.657 3.960 0.001 0.000 0.204 75 G HA3 -0.303 3.657 3.960 0.001 0.000 0.204 75 G C -0.001 174.885 174.900 -0.024 0.000 1.012 75 G CA -0.305 44.812 45.100 0.029 0.000 0.651 75 G HN 0.404 nan 8.290 nan 0.000 0.494 76 Y N 2.574 122.739 120.300 -0.225 0.000 2.811 76 Y HA 0.421 4.971 4.550 0.001 0.000 0.334 76 Y C 1.344 176.948 175.900 -0.494 0.000 1.247 76 Y CA 0.670 58.529 58.100 -0.401 0.000 1.526 76 Y CB 0.503 38.588 38.460 -0.624 0.000 1.284 76 Y HN 0.114 nan 8.280 nan 0.000 0.586 77 R N 4.198 124.105 120.500 -0.988 0.000 2.549 77 R HA 0.205 4.545 4.340 0.001 0.000 0.399 77 R C 0.353 176.297 176.300 -0.594 0.000 0.964 77 R CA 0.329 56.074 56.100 -0.593 0.000 1.173 77 R CB 0.561 30.769 30.300 -0.154 0.000 1.535 77 R HN 0.874 nan 8.270 nan 0.000 0.551 78 G N 2.097 110.001 108.800 -1.494 0.000 2.563 78 G HA2 0.331 4.291 3.960 0.001 0.000 0.283 78 G HA3 0.331 4.291 3.960 0.001 0.000 0.283 78 G C -2.396 172.465 174.900 -0.065 0.000 1.309 78 G CA -0.761 43.938 45.100 -0.668 0.000 1.022 78 G HN -0.113 nan 8.290 nan 0.000 0.501 79 P HA 0.340 nan 4.420 nan 0.000 0.276 79 P C -0.920 176.449 177.300 0.116 0.000 1.244 79 P CA -0.332 62.802 63.100 0.057 0.000 0.801 79 P CB 1.785 33.373 31.700 -0.186 0.000 1.006 80 V N 2.708 122.606 119.914 -0.026 0.000 2.447 80 V HA 0.259 4.380 4.120 0.001 0.000 0.292 80 V C -0.627 175.405 176.094 -0.104 0.000 1.021 80 V CA -0.533 61.811 62.300 0.073 0.000 0.850 80 V CB 0.541 32.492 31.823 0.214 0.000 1.005 80 V HN 0.384 nan 8.190 nan 0.000 0.426 81 Y N 2.855 123.221 120.300 0.112 0.000 2.323 81 Y HA 0.819 5.370 4.550 0.001 0.000 0.331 81 Y C 0.526 176.535 175.900 0.183 0.000 1.092 81 Y CA -0.212 57.938 58.100 0.083 0.000 1.150 81 Y CB 1.835 40.277 38.460 -0.030 0.000 1.200 81 Y HN 0.817 nan 8.280 nan 0.000 0.472 82 A N 0.976 124.001 122.820 0.341 0.000 2.586 82 A HA 0.553 4.874 4.320 0.001 0.000 0.291 82 A C -0.747 176.959 177.584 0.203 0.000 1.062 82 A CA -0.912 51.324 52.037 0.331 0.000 0.666 82 A CB 0.575 19.651 19.000 0.127 0.000 1.281 82 A HN 0.507 nan 8.150 nan 0.000 0.421 83 T N 0.501 115.060 114.554 0.009 0.000 2.932 83 T HA 0.176 4.527 4.350 0.001 0.000 0.312 83 T C 1.685 176.314 174.700 -0.117 0.000 1.071 83 T CA 0.509 62.539 62.100 -0.117 0.000 1.128 83 T CB 0.558 69.202 68.868 -0.373 0.000 0.984 83 T HN 0.759 nan 8.240 nan 0.000 0.549 84 R N 3.033 123.510 120.500 -0.038 0.000 2.103 84 R HA -0.092 4.248 4.340 0.001 0.000 0.242 84 R C 2.319 178.482 176.300 -0.228 0.000 1.142 84 R CA 2.265 58.335 56.100 -0.051 0.000 0.960 84 R CB -1.083 29.265 30.300 0.081 0.000 0.858 84 R HN 0.699 nan 8.270 nan 0.000 0.439 85 A N -0.931 121.530 122.820 -0.598 0.000 1.902 85 A HA -0.136 4.185 4.320 0.001 0.000 0.217 85 A C 2.266 179.589 177.584 -0.435 0.000 1.181 85 A CA 2.077 53.663 52.037 -0.750 0.000 0.623 85 A CB -1.059 17.016 19.000 -1.541 0.000 0.818 85 A HN 0.484 nan 8.150 nan 0.000 0.443 86 T N -0.335 113.992 114.554 -0.378 0.000 2.746 86 T HA -0.115 4.235 4.350 0.001 0.000 0.267 86 T C 1.882 176.495 174.700 -0.143 0.000 1.039 86 T CA 1.504 63.466 62.100 -0.229 0.000 1.142 86 T CB -0.415 68.336 68.868 -0.194 0.000 0.866 86 T HN 0.158 nan 8.240 nan 0.000 0.444 87 V N 1.554 121.392 119.914 -0.125 0.000 2.287 87 V HA -0.166 3.955 4.120 0.001 0.000 0.248 87 V C 2.459 178.509 176.094 -0.074 0.000 1.053 87 V CA 1.640 63.894 62.300 -0.076 0.000 1.027 87 V CB -0.649 31.139 31.823 -0.058 0.000 0.646 87 V HN 0.446 nan 8.190 nan 0.000 0.447 88 L N -1.037 120.129 121.223 -0.095 0.000 2.027 88 L HA -0.146 4.194 4.340 0.001 0.000 0.206 88 L C 2.416 179.252 176.870 -0.056 0.000 1.074 88 L CA 1.416 56.214 54.840 -0.070 0.000 0.745 88 L CB -0.567 41.447 42.059 -0.076 0.000 0.898 88 L HN 0.273 nan 8.230 nan 0.000 0.433 89 L N -0.834 120.342 121.223 -0.078 0.000 2.083 89 L HA -0.264 4.077 4.340 0.001 0.000 0.209 89 L C 2.693 179.550 176.870 -0.022 0.000 1.083 89 L CA 1.288 56.101 54.840 -0.045 0.000 0.752 89 L CB -0.361 41.654 42.059 -0.074 0.000 0.899 89 L HN 0.353 nan 8.230 nan 0.000 0.433 90 M N -0.328 119.251 119.600 -0.035 0.000 2.149 90 M HA -0.272 4.209 4.480 0.001 0.000 0.261 90 M C 2.245 178.539 176.300 -0.010 0.000 1.064 90 M CA 1.783 57.073 55.300 -0.016 0.000 1.102 90 M CB -0.109 32.475 32.600 -0.026 0.000 1.369 90 M HN 0.257 nan 8.290 nan 0.000 0.408 91 E N 0.582 120.771 120.200 -0.019 0.000 2.031 91 E HA -0.217 4.133 4.350 0.001 0.000 0.193 91 E C 1.835 178.437 176.600 0.002 0.000 0.994 91 E CA 1.732 58.123 56.400 -0.014 0.000 0.800 91 E CB -0.214 29.475 29.700 -0.018 0.000 0.752 91 E HN 0.626 nan 8.360 nan 0.000 0.447 92 I N 0.755 121.330 120.570 0.008 0.000 2.163 92 I HA -0.271 3.900 4.170 0.001 0.000 0.243 92 I C 2.520 178.659 176.117 0.036 0.000 1.085 92 I CA 0.814 62.126 61.300 0.020 0.000 1.347 92 I CB -0.333 37.678 38.000 0.020 0.000 1.044 92 I HN 0.070 nan 8.210 nan 0.000 0.408 93 V N 0.822 120.763 119.914 0.044 0.000 2.287 93 V HA -0.284 3.836 4.120 0.001 0.000 0.248 93 V C 2.413 178.551 176.094 0.072 0.000 1.053 93 V CA 1.755 64.097 62.300 0.069 0.000 1.027 93 V CB -0.561 31.312 31.823 0.085 0.000 0.646 93 V HN 0.280 nan 8.190 nan 0.000 0.447 94 L N -0.261 120.992 121.223 0.050 0.000 2.056 94 L HA -0.083 4.258 4.340 0.001 0.000 0.207 94 L C 2.539 179.454 176.870 0.076 0.000 1.078 94 L CA 1.626 56.497 54.840 0.050 0.000 0.749 94 L CB -0.993 41.053 42.059 -0.021 0.000 0.901 94 L HN 0.301 nan 8.230 nan 0.000 0.433 95 E N -0.545 119.685 120.200 0.049 0.000 2.153 95 E HA -0.270 4.080 4.350 0.001 0.000 0.194 95 E C 1.753 178.389 176.600 0.060 0.000 0.988 95 E CA 1.443 57.873 56.400 0.051 0.000 0.811 95 E CB -0.253 29.465 29.700 0.031 0.000 0.746 95 E HN 0.582 nan 8.360 nan 0.000 0.466 96 D N 0.207 120.644 120.400 0.061 0.000 2.234 96 D HA -0.020 4.621 4.640 0.001 0.000 0.205 96 D C 1.870 178.212 176.300 0.071 0.000 0.962 96 D CA 1.070 55.106 54.000 0.060 0.000 0.855 96 D CB 0.113 40.950 40.800 0.062 0.000 0.951 96 D HN 0.107 nan 8.370 nan 0.000 0.500 97 A N 0.135 123.015 122.820 0.100 0.000 1.933 97 A HA -0.083 4.238 4.320 0.001 0.000 0.218 97 A C 2.241 179.856 177.584 0.052 0.000 1.175 97 A CA 0.822 52.927 52.037 0.114 0.000 0.628 97 A CB -0.717 18.418 19.000 0.226 0.000 0.814 97 A HN 0.348 nan 8.150 nan 0.000 0.444 98 L N -0.657 120.615 121.223 0.081 0.000 1.961 98 L HA -0.179 4.162 4.340 0.001 0.000 0.210 98 L C 2.391 179.253 176.870 -0.014 0.000 1.072 98 L CA 1.725 56.575 54.840 0.015 0.000 0.749 98 L CB -0.435 41.667 42.059 0.072 0.000 0.889 98 L HN 0.313 nan 8.230 nan 0.000 0.432 99 K N -0.612 119.797 120.400 0.015 0.000 2.520 99 K HA -0.115 4.206 4.320 0.001 0.000 0.197 99 K C 1.586 178.191 176.600 0.008 0.000 1.043 99 K CA 0.647 56.941 56.287 0.011 0.000 0.944 99 K CB 0.082 32.596 32.500 0.023 0.000 0.770 99 K HN 0.230 nan 8.250 nan 0.000 0.480 100 V N 0.239 120.156 119.914 0.005 0.000 3.379 100 V HA 0.077 4.197 4.120 0.001 0.000 0.249 100 V C 0.750 176.840 176.094 -0.007 0.000 1.184 100 V CA 0.330 62.637 62.300 0.011 0.000 1.106 100 V CB 0.139 31.983 31.823 0.035 0.000 0.826 100 V HN 0.222 nan 8.190 nan 0.000 0.465 101 M N 2.395 121.965 119.600 -0.050 0.000 2.084 101 M HA 0.213 4.694 4.480 0.001 0.000 0.351 101 M C 0.821 177.074 176.300 -0.079 0.000 1.240 101 M CA -0.153 55.103 55.300 -0.073 0.000 1.083 101 M CB 0.954 33.454 32.600 -0.166 0.000 1.593 101 M HN 0.285 nan 8.290 nan 0.000 0.463 102 D N 1.449 121.823 120.400 -0.042 0.000 2.347 102 D HA -0.109 4.532 4.640 0.001 0.000 0.215 102 D C 0.181 176.451 176.300 -0.050 0.000 0.976 102 D CA 0.892 54.869 54.000 -0.039 0.000 0.884 102 D CB 0.386 41.175 40.800 -0.018 0.000 0.915 102 D HN 0.549 nan 8.370 nan 0.000 0.526 103 E N 1.336 121.504 120.200 -0.053 0.000 3.666 103 E HA 0.254 4.605 4.350 0.001 0.000 0.230 103 E C -2.592 173.973 176.600 -0.057 0.000 1.235 103 E CA -1.667 54.704 56.400 -0.048 0.000 1.096 103 E CB 1.062 30.747 29.700 -0.025 0.000 1.287 103 E HN 0.071 nan 8.360 nan 0.000 0.406 104 P HA 0.123 nan 4.420 nan 0.000 0.277 104 P C 0.109 177.195 177.300 -0.356 0.000 1.240 104 P CA -0.443 62.363 63.100 -0.490 0.000 0.798 104 P CB 0.490 31.736 31.700 -0.757 0.000 0.979 105 F N 0.262 120.074 119.950 -0.230 0.000 2.664 105 F HA 0.384 4.912 4.527 0.001 0.000 0.301 105 F C 0.195 176.055 175.800 0.101 0.000 1.126 105 F CA -0.963 57.049 58.000 0.021 0.000 1.373 105 F CB -0.814 38.273 39.000 0.144 0.000 1.042 105 F HN 0.114 nan 8.300 nan 0.000 0.535 106 F N -1.675 118.230 119.950 -0.075 0.000 2.741 106 F HA 0.901 5.429 4.527 0.001 0.000 0.313 106 F C -0.153 175.619 175.800 -0.047 0.000 1.153 106 F CA -1.838 56.153 58.000 -0.016 0.000 0.931 106 F CB 0.722 39.712 39.000 -0.015 0.000 1.335 106 F HN -0.035 nan 8.300 nan 0.000 0.460 107 G N -0.569 108.415 108.800 0.307 0.000 2.932 107 G HA2 0.628 4.589 3.960 0.001 0.000 0.283 107 G HA3 0.628 4.589 3.960 0.001 0.000 0.283 107 G C -2.492 172.546 174.900 0.231 0.000 1.336 107 G CA -1.873 43.333 45.100 0.177 0.000 1.056 107 G HN 0.478 nan 8.290 nan 0.000 0.522 108 P HA -0.066 nan 4.420 nan 0.000 0.223 108 P C 1.238 178.572 177.300 0.057 0.000 1.151 108 P CA 1.068 64.223 63.100 0.093 0.000 0.787 108 P CB 0.308 32.042 31.700 0.056 0.000 0.788 109 E N 0.607 120.842 120.200 0.059 0.000 2.152 109 E HA -0.157 4.194 4.350 0.001 0.000 0.192 109 E C 1.147 177.758 176.600 0.018 0.000 0.983 109 E CA 1.029 57.450 56.400 0.035 0.000 0.818 109 E CB -1.070 28.657 29.700 0.045 0.000 0.758 109 E HN 0.217 nan 8.360 nan 0.000 0.467 110 D N 1.240 121.670 120.400 0.050 0.000 2.183 110 D HA -0.050 4.591 4.640 0.001 0.000 0.203 110 D C 2.222 178.455 176.300 -0.112 0.000 0.969 110 D CA 0.761 54.773 54.000 0.019 0.000 0.842 110 D CB 0.065 40.930 40.800 0.109 0.000 0.957 110 D HN 0.090 nan 8.370 nan 0.000 0.484 111 V N 2.180 122.038 119.914 -0.093 0.000 2.307 111 V HA -0.218 3.903 4.120 0.001 0.000 0.245 111 V C 2.498 178.502 176.094 -0.151 0.000 1.045 111 V CA 1.996 64.203 62.300 -0.155 0.000 1.024 111 V CB -0.584 31.203 31.823 -0.059 0.000 0.651 111 V HN 0.334 nan 8.190 nan 0.000 0.449 112 E N 0.442 120.582 120.200 -0.100 0.000 2.208 112 E HA -0.256 4.094 4.350 0.001 0.000 0.193 112 E C 1.972 178.485 176.600 -0.145 0.000 0.988 112 E CA 1.225 57.567 56.400 -0.096 0.000 0.828 112 E CB -0.232 29.439 29.700 -0.049 0.000 0.763 112 E HN 0.595 nan 8.360 nan 0.000 0.478 113 E N 1.788 121.874 120.200 -0.190 0.000 2.072 113 E HA -0.118 4.233 4.350 0.001 0.000 0.191 113 E C 1.956 178.128 176.600 -0.714 0.000 0.985 113 E CA 1.674 57.909 56.400 -0.275 0.000 0.801 113 E CB -0.261 29.321 29.700 -0.196 0.000 0.750 113 E HN 0.345 nan 8.360 nan 0.000 0.452 114 A N 0.585 122.869 122.820 -0.894 0.000 1.840 114 A HA -0.074 4.246 4.320 0.001 0.000 0.214 114 A C 2.300 179.603 177.584 -0.469 0.000 1.198 114 A CA 1.364 52.699 52.037 -1.170 0.000 0.608 114 A CB -0.894 17.777 19.000 -0.548 0.000 0.839 114 A HN 0.325 nan 8.150 nan 0.000 0.443 115 L N -0.299 120.767 121.223 -0.263 0.000 2.189 115 L HA -0.177 4.164 4.340 0.001 0.000 0.214 115 L C 2.619 179.430 176.870 -0.098 0.000 1.097 115 L CA 0.961 55.721 54.840 -0.133 0.000 0.764 115 L CB -0.730 41.268 42.059 -0.101 0.000 0.900 115 L HN 0.525 nan 8.230 nan 0.000 0.436 116 G N -1.561 107.178 108.800 -0.101 0.000 2.484 116 G HA2 -0.202 3.758 3.960 0.001 0.000 0.218 116 G HA3 -0.202 3.758 3.960 0.001 0.000 0.218 116 G C 0.988 175.838 174.900 -0.083 0.000 1.130 116 G CA 0.265 45.325 45.100 -0.068 0.000 0.784 116 G HN 0.428 nan 8.290 nan 0.000 0.543 117 H N -0.514 118.460 119.070 -0.161 0.000 2.551 117 H HA 0.342 4.899 4.556 0.001 0.000 0.271 117 H C 0.875 176.165 175.328 -0.065 0.000 0.984 117 H CA -0.508 55.508 56.048 -0.053 0.000 1.164 117 H CB 0.059 29.907 29.762 0.143 0.000 1.437 117 H HN 0.150 nan 8.280 nan 0.000 0.550 118 L N 1.754 122.983 121.223 0.011 0.000 2.499 118 L HA 0.128 4.468 4.340 0.001 0.000 0.273 118 L C 0.237 177.054 176.870 -0.089 0.000 1.195 118 L CA 0.611 55.433 54.840 -0.031 0.000 0.882 118 L CB 0.428 42.471 42.059 -0.028 0.000 1.133 118 L HN 0.181 nan 8.230 nan 0.000 0.483 119 R N 4.514 124.927 120.500 -0.144 0.000 2.532 119 R HA 0.383 4.724 4.340 0.001 0.000 0.297 119 R C -2.554 173.734 176.300 -0.020 0.000 0.984 119 R CA -1.837 54.177 56.100 -0.143 0.000 0.884 119 R CB 2.125 32.219 30.300 -0.342 0.000 1.182 119 R HN 0.362 nan 8.270 nan 0.000 0.442 120 P HA 0.095 nan 4.420 nan 0.000 0.271 120 P C -1.042 176.333 177.300 0.125 0.000 1.216 120 P CA -0.343 62.800 63.100 0.072 0.000 0.771 120 P CB 1.105 32.829 31.700 0.040 0.000 0.864 121 L N 2.861 124.173 121.223 0.147 0.000 2.528 121 L HA 0.419 4.760 4.340 0.001 0.000 0.267 121 L C -0.502 176.444 176.870 0.126 0.000 0.961 121 L CA -0.332 54.568 54.840 0.100 0.000 0.866 121 L CB 1.702 43.771 42.059 0.017 0.000 1.248 121 L HN 0.195 nan 8.230 nan 0.000 0.404 122 E N 2.620 122.830 120.200 0.017 0.000 2.254 122 E HA 0.321 4.672 4.350 0.001 0.000 0.258 122 E C -1.069 175.479 176.600 -0.087 0.000 1.033 122 E CA -0.600 55.751 56.400 -0.082 0.000 0.893 122 E CB 0.549 30.204 29.700 -0.074 0.000 1.204 122 E HN 0.414 nan 8.360 nan 0.000 0.425 123 Y N 0.124 120.442 120.300 0.031 0.000 2.717 123 Y HA 0.201 4.751 4.550 0.001 0.000 0.330 123 Y C 1.775 177.610 175.900 -0.108 0.000 1.217 123 Y CA 1.480 59.550 58.100 -0.051 0.000 1.506 123 Y CB -0.091 38.313 38.460 -0.093 0.000 1.268 123 Y HN 0.773 nan 8.280 nan 0.000 0.561 124 G N 1.554 110.325 108.800 -0.047 0.000 2.234 124 G HA2 -0.298 3.663 3.960 0.001 0.000 0.260 124 G HA3 -0.298 3.663 3.960 0.001 0.000 0.260 124 G C 0.135 174.885 174.900 -0.251 0.000 0.987 124 G CA 0.128 45.143 45.100 -0.140 0.000 0.625 124 G HN 0.590 nan 8.290 nan 0.000 0.532 125 E N -0.637 119.419 120.200 -0.240 0.000 2.331 125 E HA 0.436 4.787 4.350 0.001 0.000 0.272 125 E C -0.469 175.888 176.600 -0.406 0.000 1.036 125 E CA -0.651 55.638 56.400 -0.186 0.000 0.864 125 E CB 0.526 30.166 29.700 -0.100 0.000 1.035 125 E HN 0.357 nan 8.360 nan 0.000 0.408 126 W N 3.149 124.401 121.300 -0.079 0.000 2.520 126 W HA 0.391 5.052 4.660 0.001 0.000 0.323 126 W C -0.650 175.783 176.519 -0.144 0.000 1.062 126 W CA -0.600 56.680 57.345 -0.108 0.000 1.215 126 W CB 0.784 30.200 29.460 -0.072 0.000 1.340 126 W HN 0.306 nan 8.180 nan 0.000 0.516 127 L N 3.609 124.817 121.223 -0.024 0.000 2.334 127 L HA 0.695 5.035 4.340 0.001 0.000 0.276 127 L C -0.700 176.135 176.870 -0.058 0.000 1.014 127 L CA -1.050 53.699 54.840 -0.151 0.000 0.815 127 L CB 1.444 43.234 42.059 -0.448 0.000 1.268 127 L HN 0.467 nan 8.230 nan 0.000 0.428 128 R N 3.975 124.439 120.500 -0.061 0.000 2.621 128 R HA 0.819 5.159 4.340 0.001 0.000 0.292 128 R C -1.822 174.454 176.300 -0.041 0.000 0.969 128 R CA -0.506 55.578 56.100 -0.026 0.000 0.887 128 R CB 1.368 31.667 30.300 -0.003 0.000 1.180 128 R HN 0.722 nan 8.270 nan 0.000 0.450 129 L N 3.768 124.973 121.223 -0.030 0.000 2.476 129 L HA 0.503 4.843 4.340 0.001 0.000 0.269 129 L C 0.795 177.661 176.870 -0.007 0.000 0.965 129 L CA -0.604 54.227 54.840 -0.016 0.000 0.845 129 L CB 1.968 44.015 42.059 -0.021 0.000 1.259 129 L HN 0.968 nan 8.230 nan 0.000 0.403 130 G N 2.807 111.606 108.800 -0.002 0.000 2.651 130 G HA2 -0.360 3.601 3.960 0.001 0.000 0.315 130 G HA3 -0.360 3.601 3.960 0.001 0.000 0.315 130 G C 0.644 175.540 174.900 -0.007 0.000 1.258 130 G CA 0.704 45.803 45.100 -0.003 0.000 1.002 130 G HN 0.978 nan 8.290 nan 0.000 0.551 131 A N -0.811 122.004 122.820 -0.007 0.000 2.423 131 A HA 0.662 4.983 4.320 0.001 0.000 0.246 131 A C 0.691 178.271 177.584 -0.007 0.000 1.278 131 A CA 1.046 53.077 52.037 -0.010 0.000 0.903 131 A CB 0.040 19.034 19.000 -0.011 0.000 0.997 131 A HN 1.497 nan 8.150 nan 0.000 0.510 132 L N 0.500 121.722 121.223 -0.002 0.000 2.312 132 L HA 0.607 4.947 4.340 0.001 0.000 0.281 132 L C -0.462 176.421 176.870 0.023 0.000 1.070 132 L CA 0.175 55.021 54.840 0.009 0.000 0.805 132 L CB 1.621 43.681 42.059 0.002 0.000 1.174 132 L HN 0.012 nan 8.230 nan 0.000 0.434 133 S N 5.739 121.478 115.700 0.066 0.000 2.519 133 S HA 0.756 5.227 4.470 0.001 0.000 0.309 133 S C -0.731 174.014 174.600 0.241 0.000 1.100 133 S CA -0.504 57.790 58.200 0.158 0.000 1.059 133 S CB 1.076 64.362 63.200 0.143 0.000 1.008 133 S HN 0.528 nan 8.310 nan 0.000 0.478 134 L N 2.226 123.538 121.223 0.147 0.000 2.341 134 L HA 0.992 5.332 4.340 0.001 0.000 0.267 134 L C -0.207 176.461 176.870 -0.338 0.000 1.009 134 L CA -0.680 54.126 54.840 -0.057 0.000 0.819 134 L CB 1.921 43.871 42.059 -0.182 0.000 1.323 134 L HN 0.752 nan 8.230 nan 0.000 0.425 135 A N 1.085 123.575 122.820 -0.550 0.000 2.604 135 A HA 0.781 5.102 4.320 0.001 0.000 0.295 135 A C -1.687 175.615 177.584 -0.470 0.000 1.067 135 A CA -0.441 51.099 52.037 -0.828 0.000 0.683 135 A CB 1.115 19.093 19.000 -1.704 0.000 1.281 135 A HN 0.340 nan 8.150 nan 0.000 0.407 136 F N 0.861 120.570 119.950 -0.402 0.000 2.385 136 F HA 0.647 5.175 4.527 0.001 0.000 0.336 136 F C 1.098 176.651 175.800 -0.413 0.000 1.100 136 F CA -0.282 57.522 58.000 -0.326 0.000 1.116 136 F CB 1.951 40.801 39.000 -0.250 0.000 1.166 136 F HN 0.755 nan 8.300 nan 0.000 0.511 137 G N 0.972 109.403 108.800 -0.615 0.000 2.511 137 G HA2 0.457 4.417 3.960 0.001 0.000 0.318 137 G HA3 0.457 4.417 3.960 0.001 0.000 0.318 137 G C -1.454 173.021 174.900 -0.708 0.000 1.210 137 G CA -0.694 43.717 45.100 -1.149 0.000 0.969 137 G HN 0.437 nan 8.290 nan 0.000 0.484 138 Q N 0.046 119.594 119.800 -0.421 0.000 2.281 138 Q HA 0.524 4.865 4.340 0.001 0.000 0.267 138 Q C 0.752 176.779 176.000 0.044 0.000 1.053 138 Q CA 0.530 56.103 55.803 -0.384 0.000 0.905 138 Q CB 1.220 29.675 28.738 -0.471 0.000 1.195 138 Q HN 0.544 nan 8.270 nan 0.000 0.398 139 A N 3.545 126.378 122.820 0.022 0.000 2.115 139 A HA 0.369 4.689 4.320 0.001 0.000 0.211 139 A C 1.415 178.955 177.584 -0.072 0.000 1.169 139 A CA 0.516 52.578 52.037 0.041 0.000 0.787 139 A CB -0.497 18.495 19.000 -0.012 0.000 0.858 139 A HN 1.353 nan 8.150 nan 0.000 0.474 140 G N -0.917 107.825 108.800 -0.097 0.000 2.233 140 G HA2 -0.390 3.571 3.960 0.001 0.000 0.270 140 G HA3 -0.390 3.571 3.960 0.001 0.000 0.270 140 G C 0.631 175.453 174.900 -0.130 0.000 1.011 140 G CA 1.374 46.406 45.100 -0.114 0.000 0.762 140 G HN 0.839 nan 8.290 nan 0.000 0.511 141 H N -1.298 117.602 119.070 -0.282 0.000 2.451 141 H HA 0.638 5.195 4.556 0.001 0.000 0.294 141 H C 0.899 175.995 175.328 -0.385 0.000 1.028 141 H CA 1.455 57.274 56.048 -0.382 0.000 1.349 141 H CB 0.189 29.620 29.762 -0.551 0.000 1.444 141 H HN 0.496 nan 8.280 nan 0.000 0.538 142 L N -0.390 120.547 121.223 -0.476 0.000 2.568 142 L HA 0.425 4.766 4.340 0.001 0.000 0.257 142 L C -2.685 173.973 176.870 -0.354 0.000 1.024 142 L CA -2.450 52.098 54.840 -0.488 0.000 0.854 142 L CB 1.987 43.646 42.059 -0.666 0.000 1.460 142 L HN -0.118 nan 8.230 nan 0.000 0.409 143 P HA 0.269 nan 4.420 nan 0.000 0.262 143 P C 0.370 177.381 177.300 -0.482 0.000 1.199 143 P CA 1.288 64.082 63.100 -0.510 0.000 0.763 143 P CB 0.374 31.641 31.700 -0.721 0.000 0.790 144 G N 2.238 110.836 108.800 -0.338 0.000 2.143 144 G HA2 -0.232 3.728 3.960 0.001 0.000 0.249 144 G HA3 -0.232 3.728 3.960 0.001 0.000 0.249 144 G C 0.295 175.058 174.900 -0.227 0.000 0.981 144 G CA 0.178 45.063 45.100 -0.358 0.000 0.665 144 G HN 0.749 nan 8.290 nan 0.000 0.528 145 S N -0.331 115.286 115.700 -0.138 0.000 2.565 145 S HA 0.876 5.346 4.470 0.001 0.000 0.274 145 S C 0.286 174.846 174.600 -0.067 0.000 1.309 145 S CA 0.753 58.869 58.200 -0.140 0.000 1.043 145 S CB 2.252 65.331 63.200 -0.201 0.000 0.939 145 S HN 1.993 nan 8.310 nan 0.000 0.504 146 A N 2.049 124.749 122.820 -0.200 0.000 2.564 146 A HA 0.864 5.185 4.320 0.001 0.000 0.288 146 A C -0.706 176.825 177.584 -0.088 0.000 1.164 146 A CA -1.166 50.763 52.037 -0.180 0.000 0.712 146 A CB 0.866 19.518 19.000 -0.581 0.000 1.303 146 A HN 1.247 nan 8.150 nan 0.000 0.418 147 F N -0.944 119.000 119.950 -0.010 0.000 2.557 147 F HA 0.858 5.386 4.527 0.001 0.000 0.336 147 F C -0.600 175.305 175.800 0.175 0.000 1.058 147 F CA -1.276 56.720 58.000 -0.007 0.000 0.988 147 F CB 1.208 40.258 39.000 0.082 0.000 1.275 147 F HN 0.292 nan 8.300 nan 0.000 0.488 148 V N 2.167 122.365 119.914 0.473 0.000 2.513 148 V HA 0.530 4.651 4.120 0.001 0.000 0.299 148 V C -0.602 175.732 176.094 0.400 0.000 1.035 148 V CA -0.858 61.679 62.300 0.395 0.000 0.889 148 V CB 1.583 33.646 31.823 0.400 0.000 0.988 148 V HN 0.727 nan 8.190 nan 0.000 0.440 149 V N 3.774 123.821 119.914 0.222 0.000 2.409 149 V HA 0.798 4.919 4.120 0.001 0.000 0.291 149 V C 0.170 176.348 176.094 0.141 0.000 1.020 149 V CA -0.404 62.023 62.300 0.212 0.000 0.848 149 V CB 1.573 33.500 31.823 0.173 0.000 0.990 149 V HN 0.999 nan 8.190 nan 0.000 0.430 150 A N 4.731 127.650 122.820 0.164 0.000 2.319 150 A HA 0.777 5.097 4.320 0.001 0.000 0.310 150 A C -0.683 176.984 177.584 0.138 0.000 1.152 150 A CA -0.550 51.568 52.037 0.135 0.000 0.783 150 A CB 1.546 20.604 19.000 0.097 0.000 1.184 150 A HN 0.628 nan 8.150 nan 0.000 0.474 151 Q N 1.987 121.880 119.800 0.155 0.000 2.330 151 Q HA 0.667 5.008 4.340 0.001 0.000 0.269 151 Q C -0.672 175.361 176.000 0.056 0.000 1.022 151 Q CA -0.262 55.604 55.803 0.105 0.000 0.796 151 Q CB 1.987 30.795 28.738 0.116 0.000 1.271 151 Q HN 1.298 nan 8.270 nan 0.000 0.450 152 G N 1.959 110.777 108.800 0.030 0.000 2.616 152 G HA2 0.332 4.293 3.960 0.001 0.000 0.294 152 G HA3 0.332 4.293 3.960 0.001 0.000 0.294 152 G C -1.136 173.766 174.900 0.004 0.000 1.489 152 G CA -0.518 44.588 45.100 0.011 0.000 0.836 152 G HN 0.690 nan 8.290 nan 0.000 0.527 153 E N -0.780 119.418 120.200 -0.004 0.000 2.476 153 E HA -0.235 4.115 4.350 0.001 0.000 0.251 153 E C 1.432 178.029 176.600 -0.006 0.000 1.130 153 E CA 1.292 57.689 56.400 -0.006 0.000 0.736 153 E CB -1.324 28.374 29.700 -0.004 0.000 1.298 153 E HN 2.426 nan 8.360 nan 0.000 0.400 154 G N -0.153 108.641 108.800 -0.008 0.000 2.187 154 G HA2 -0.382 3.578 3.960 0.001 0.000 0.261 154 G HA3 -0.382 3.578 3.960 0.001 0.000 0.261 154 G C 0.159 175.058 174.900 -0.002 0.000 1.000 154 G CA 0.822 45.916 45.100 -0.009 0.000 0.718 154 G HN 0.187 nan 8.290 nan 0.000 0.519 155 R N -0.349 120.153 120.500 0.004 0.000 2.711 155 R HA 0.672 5.013 4.340 0.001 0.000 0.284 155 R C -0.775 175.540 176.300 0.025 0.000 0.968 155 R CA -0.359 55.747 56.100 0.010 0.000 0.924 155 R CB 1.689 31.994 30.300 0.007 0.000 1.162 155 R HN 0.110 nan 8.270 nan 0.000 0.465 156 T N 3.098 117.669 114.554 0.030 0.000 2.847 156 T HA 0.373 4.724 4.350 0.001 0.000 0.291 156 T C -0.802 173.930 174.700 0.054 0.000 0.998 156 T CA -0.536 61.595 62.100 0.052 0.000 0.967 156 T CB 1.005 69.905 68.868 0.054 0.000 0.954 156 T HN 0.294 nan 8.240 nan 0.000 0.441 157 L N 4.834 126.101 121.223 0.073 0.000 2.334 157 L HA 0.877 5.217 4.340 0.001 0.000 0.276 157 L C -1.226 175.723 176.870 0.133 0.000 1.014 157 L CA -0.526 54.362 54.840 0.080 0.000 0.815 157 L CB 1.551 43.650 42.059 0.065 0.000 1.268 157 L HN 0.406 nan 8.230 nan 0.000 0.428 158 V N 5.244 125.245 119.914 0.145 0.000 2.487 158 V HA 0.352 4.472 4.120 0.001 0.000 0.298 158 V C -1.226 175.049 176.094 0.301 0.000 1.028 158 V CA -0.492 61.942 62.300 0.224 0.000 0.860 158 V CB 1.496 33.399 31.823 0.134 0.000 0.991 158 V HN 0.734 nan 8.190 nan 0.000 0.427 159 Y N 3.928 124.362 120.300 0.223 0.000 2.334 159 Y HA 0.347 4.898 4.550 0.001 0.000 0.336 159 Y C 1.400 177.470 175.900 0.282 0.000 0.960 159 Y CA -0.283 57.932 58.100 0.192 0.000 1.164 159 Y CB 2.107 40.672 38.460 0.174 0.000 1.155 159 Y HN 0.745 nan 8.280 nan 0.000 0.478 160 S N 3.908 119.625 115.700 0.028 0.000 2.453 160 S HA 0.199 4.670 4.470 0.001 0.000 0.231 160 S C 1.296 175.624 174.600 -0.453 0.000 1.005 160 S CA 0.615 58.694 58.200 -0.202 0.000 0.949 160 S CB -0.584 62.417 63.200 -0.331 0.000 0.774 160 S HN 1.394 nan 8.310 nan 0.000 0.510 161 G N 1.701 109.922 108.800 -0.965 0.000 2.574 161 G HA2 -0.240 3.721 3.960 0.001 0.000 0.286 161 G HA3 -0.240 3.721 3.960 0.001 0.000 0.286 161 G C -0.982 173.746 174.900 -0.286 0.000 1.212 161 G CA 0.409 45.165 45.100 -0.573 0.000 0.979 161 G HN 0.540 nan 8.290 nan 0.000 0.557 162 D N 0.297 120.510 120.400 -0.311 0.000 2.192 162 D HA 0.633 5.274 4.640 0.001 0.000 0.246 162 D C -0.042 175.950 176.300 -0.514 0.000 1.042 162 D CA -0.338 53.352 54.000 -0.516 0.000 0.847 162 D CB 1.622 41.829 40.800 -0.989 0.000 1.186 162 D HN 0.367 nan 8.370 nan 0.000 0.461 163 L N 1.558 122.528 121.223 -0.422 0.000 2.289 163 L HA 0.478 4.818 4.340 0.001 0.000 0.285 163 L C 1.256 178.001 176.870 -0.209 0.000 1.049 163 L CA -0.224 54.378 54.840 -0.398 0.000 0.804 163 L CB 1.574 43.304 42.059 -0.548 0.000 1.195 163 L HN 0.376 nan 8.230 nan 0.000 0.428 164 G N 1.363 110.074 108.800 -0.148 0.000 2.616 164 G HA2 0.061 4.022 3.960 0.001 0.000 0.268 164 G HA3 0.061 4.022 3.960 0.001 0.000 0.268 164 G C -0.311 174.555 174.900 -0.058 0.000 1.213 164 G CA -0.536 44.523 45.100 -0.068 0.000 0.926 164 G HN 0.732 nan 8.290 nan 0.000 0.523 165 N N -0.508 118.162 118.700 -0.050 0.000 2.558 165 N HA 0.095 4.835 4.740 0.001 0.000 0.233 165 N C 1.784 177.251 175.510 -0.071 0.000 1.038 165 N CA -0.530 52.504 53.050 -0.026 0.000 0.934 165 N CB 0.403 38.864 38.487 -0.044 0.000 1.175 165 N HN 0.586 nan 8.380 nan 0.000 0.512 166 R N 2.762 123.236 120.500 -0.043 0.000 2.261 166 R HA -0.173 4.167 4.340 0.001 0.000 0.236 166 R C 0.644 176.905 176.300 -0.064 0.000 1.141 166 R CA 1.529 57.602 56.100 -0.045 0.000 1.001 166 R CB -0.125 30.173 30.300 -0.004 0.000 0.866 166 R HN 0.603 nan 8.270 nan 0.000 0.468 167 E N 0.688 120.847 120.200 -0.069 0.000 2.347 167 E HA -0.045 4.306 4.350 0.001 0.000 0.196 167 E C 0.035 176.470 176.600 -0.275 0.000 1.008 167 E CA 0.556 56.915 56.400 -0.069 0.000 0.852 167 E CB 0.151 29.871 29.700 0.032 0.000 0.783 167 E HN 0.417 nan 8.360 nan 0.000 0.505 168 K N 0.691 120.797 120.400 -0.491 0.000 2.120 168 K HA 0.033 4.354 4.320 0.001 0.000 0.245 168 K C 0.291 176.651 176.600 -0.400 0.000 1.024 168 K CA -0.162 55.587 56.287 -0.898 0.000 0.906 168 K CB 0.591 32.662 32.500 -0.715 0.000 1.051 168 K HN -0.140 nan 8.250 nan 0.000 0.491 169 D N -0.027 120.203 120.400 -0.283 0.000 2.355 169 D HA -0.034 4.607 4.640 0.001 0.000 0.206 169 D C 1.537 177.782 176.300 -0.093 0.000 1.010 169 D CA 0.446 54.420 54.000 -0.043 0.000 0.875 169 D CB 0.217 41.129 40.800 0.185 0.000 0.966 169 D HN 0.122 nan 8.370 nan 0.000 0.512 170 V N 0.710 120.533 119.914 -0.152 0.000 2.379 170 V HA -0.066 4.054 4.120 0.001 0.000 0.245 170 V C 0.755 176.891 176.094 0.070 0.000 1.044 170 V CA 0.877 63.091 62.300 -0.144 0.000 1.036 170 V CB -0.025 31.762 31.823 -0.060 0.000 0.664 170 V HN 0.086 nan 8.190 nan 0.000 0.453 171 L N 1.142 122.375 121.223 0.017 0.000 2.360 171 L HA 0.476 4.817 4.340 0.001 0.000 0.271 171 L C -2.186 174.666 176.870 -0.030 0.000 1.057 171 L CA -2.679 52.163 54.840 0.003 0.000 0.803 171 L CB 0.631 42.649 42.059 -0.069 0.000 1.207 171 L HN 0.049 nan 8.230 nan 0.000 0.445 172 P HA 0.076 nan 4.420 nan 0.000 0.275 172 P C -0.838 176.422 177.300 -0.066 0.000 1.228 172 P CA -0.542 62.525 63.100 -0.054 0.000 0.786 172 P CB 0.641 32.289 31.700 -0.086 0.000 0.927 173 D N 3.098 123.473 120.400 -0.042 0.000 2.472 173 D HA 0.068 4.709 4.640 0.001 0.000 0.237 173 D C -1.915 174.377 176.300 -0.013 0.000 1.141 173 D CA -0.259 53.726 54.000 -0.024 0.000 0.875 173 D CB -0.431 40.370 40.800 0.002 0.000 1.192 173 D HN 0.253 nan 8.370 nan 0.000 0.450 174 P HA 0.029 nan 4.420 nan 0.000 0.271 174 P C -0.336 177.081 177.300 0.196 0.000 1.218 174 P CA -0.264 62.886 63.100 0.083 0.000 0.780 174 P CB 0.641 32.357 31.700 0.027 0.000 0.901 175 S N 2.577 118.461 115.700 0.306 0.000 2.586 175 S HA 0.315 4.786 4.470 0.001 0.000 0.274 175 S C 0.042 174.900 174.600 0.430 0.000 1.281 175 S CA -0.682 57.705 58.200 0.310 0.000 1.035 175 S CB -0.208 63.157 63.200 0.275 0.000 0.962 175 S HN 0.242 nan 8.310 nan 0.000 0.512 176 L N 4.976 126.298 121.223 0.165 0.000 2.473 176 L HA 0.358 4.699 4.340 0.001 0.000 0.268 176 L C -1.568 175.156 176.870 -0.242 0.000 1.215 176 L CA -1.492 53.256 54.840 -0.153 0.000 0.823 176 L CB 0.254 42.221 42.059 -0.154 0.000 1.099 176 L HN 0.622 nan 8.230 nan 0.000 0.483 177 P HA 0.371 nan 4.420 nan 0.000 0.283 177 P C -2.734 174.401 177.300 -0.276 0.000 1.278 177 P CA -1.638 61.107 63.100 -0.592 0.000 0.834 177 P CB 0.559 31.497 31.700 -1.270 0.000 1.150 178 P HA 0.230 nan 4.420 nan 0.000 0.278 178 P C -0.336 176.911 177.300 -0.088 0.000 1.258 178 P CA -0.577 62.502 63.100 -0.036 0.000 0.811 178 P CB 0.546 32.287 31.700 0.069 0.000 1.063 179 L N 0.978 122.164 121.223 -0.063 0.000 2.490 179 L HA 0.378 4.719 4.340 0.001 0.000 0.274 179 L C -0.207 176.639 176.870 -0.039 0.000 1.201 179 L CA 0.536 55.336 54.840 -0.066 0.000 0.869 179 L CB -0.637 41.395 42.059 -0.044 0.000 1.123 179 L HN 0.617 nan 8.230 nan 0.000 0.484 180 A N 3.753 126.546 122.820 -0.045 0.000 2.515 180 A HA 0.495 4.816 4.320 0.001 0.000 0.296 180 A C 0.311 177.887 177.584 -0.013 0.000 1.094 180 A CA -0.499 51.528 52.037 -0.016 0.000 0.718 180 A CB 0.830 19.825 19.000 -0.010 0.000 1.307 180 A HN 0.758 nan 8.150 nan 0.000 0.408 181 D N -0.601 119.799 120.400 -0.000 0.000 2.183 181 D HA 0.077 4.717 4.640 0.001 0.000 0.203 181 D C -0.108 176.190 176.300 -0.003 0.000 0.969 181 D CA 1.586 55.584 54.000 -0.003 0.000 0.842 181 D CB 0.220 41.021 40.800 0.002 0.000 0.957 181 D HN 0.276 nan 8.370 nan 0.000 0.484 182 L N 0.162 121.388 121.223 0.005 0.000 2.526 182 L HA 0.321 4.661 4.340 0.001 0.000 0.263 182 L C -1.670 175.214 176.870 0.025 0.000 0.943 182 L CA -0.667 54.178 54.840 0.007 0.000 0.859 182 L CB 2.505 44.565 42.059 0.002 0.000 1.313 182 L HN -0.354 nan 8.230 nan 0.000 0.406 183 V N 5.427 125.359 119.914 0.029 0.000 2.407 183 V HA 0.427 4.547 4.120 0.001 0.000 0.291 183 V C -0.544 175.603 176.094 0.088 0.000 1.018 183 V CA -0.521 61.821 62.300 0.068 0.000 0.842 183 V CB 1.591 33.443 31.823 0.048 0.000 0.996 183 V HN 0.643 nan 8.190 nan 0.000 0.426 184 L N 5.846 127.142 121.223 0.122 0.000 2.312 184 L HA 0.760 5.100 4.340 0.001 0.000 0.287 184 L C 0.387 177.380 176.870 0.205 0.000 1.091 184 L CA 0.406 55.302 54.840 0.094 0.000 0.846 184 L CB 0.337 42.395 42.059 -0.002 0.000 1.219 184 L HN 0.757 nan 8.230 nan 0.000 0.439 185 A N 4.122 127.028 122.820 0.144 0.000 2.354 185 A HA 0.751 5.072 4.320 0.001 0.000 0.321 185 A C -0.585 177.059 177.584 0.100 0.000 1.125 185 A CA -0.706 51.412 52.037 0.136 0.000 0.799 185 A CB 0.937 20.033 19.000 0.159 0.000 1.293 185 A HN 0.739 nan 8.150 nan 0.000 0.452 186 E N -0.021 120.209 120.200 0.050 0.000 2.283 186 E HA 0.601 4.951 4.350 0.001 0.000 0.267 186 E C 0.303 176.931 176.600 0.047 0.000 1.045 186 E CA -0.260 56.178 56.400 0.064 0.000 0.884 186 E CB 1.196 30.861 29.700 -0.059 0.000 1.106 186 E HN 0.709 nan 8.360 nan 0.000 0.408 187 G N 0.887 109.729 108.800 0.070 0.000 5.084 187 G HA2 0.048 4.009 3.960 0.001 0.000 0.241 187 G HA3 0.048 4.009 3.960 0.001 0.000 0.241 187 G C 0.485 175.390 174.900 0.010 0.000 0.918 187 G CA -0.116 45.009 45.100 0.042 0.000 0.754 187 G HN 0.488 nan 8.290 nan 0.000 0.478 188 T N 0.293 114.846 114.554 -0.002 0.000 2.680 188 T HA -0.231 4.120 4.350 0.001 0.000 0.268 188 T C 0.936 175.446 174.700 -0.316 0.000 1.033 188 T CA 1.462 63.459 62.100 -0.170 0.000 1.152 188 T CB -0.210 68.445 68.868 -0.355 0.000 0.859 188 T HN 0.390 nan 8.240 nan 0.000 0.452 189 Y N 0.442 120.686 120.300 -0.093 0.000 2.685 189 Y HA 0.490 5.041 4.550 0.001 0.000 0.339 189 Y C 1.675 177.542 175.900 -0.056 0.000 0.961 189 Y CA -1.064 57.001 58.100 -0.059 0.000 1.330 189 Y CB 0.070 38.503 38.460 -0.045 0.000 1.269 189 Y HN 0.155 nan 8.280 nan 0.000 0.566 190 G N 0.020 108.840 108.800 0.033 0.000 2.498 190 G HA2 -0.246 3.714 3.960 0.001 0.000 0.219 190 G HA3 -0.246 3.714 3.960 0.001 0.000 0.219 190 G C 1.326 176.241 174.900 0.026 0.000 1.119 190 G CA 1.257 46.375 45.100 0.029 0.000 0.766 190 G HN 0.505 nan 8.290 nan 0.000 0.552 191 D N -0.195 120.219 120.400 0.024 0.000 2.271 191 D HA 0.001 4.641 4.640 0.001 0.000 0.206 191 D C 1.293 177.619 176.300 0.043 0.000 0.967 191 D CA 0.336 54.353 54.000 0.028 0.000 0.867 191 D CB 0.129 40.941 40.800 0.020 0.000 0.960 191 D HN 0.398 nan 8.370 nan 0.000 0.509 192 R N -0.474 120.064 120.500 0.063 0.000 2.728 192 R HA 0.430 4.770 4.340 0.001 0.000 0.274 192 R C -3.455 172.829 176.300 -0.026 0.000 1.030 192 R CA -1.458 54.668 56.100 0.044 0.000 0.876 192 R CB -0.066 30.279 30.300 0.075 0.000 1.259 192 R HN -0.176 nan 8.270 nan 0.000 0.468 193 P HA 0.340 nan 4.420 nan 0.000 0.278 193 P C -0.728 176.475 177.300 -0.162 0.000 1.266 193 P CA -0.343 62.661 63.100 -0.160 0.000 0.807 193 P CB 0.747 32.416 31.700 -0.051 0.000 1.094 194 H N -0.280 118.792 119.070 0.003 0.000 2.496 194 H HA 0.300 4.857 4.556 0.001 0.000 0.342 194 H C 0.668 176.010 175.328 0.023 0.000 1.170 194 H CA -0.454 55.593 56.048 -0.003 0.000 1.274 194 H CB 0.866 30.593 29.762 -0.057 0.000 1.538 194 H HN 0.402 nan 8.280 nan 0.000 0.542 195 R N 1.603 122.205 120.500 0.171 0.000 2.679 195 R HA 0.096 4.437 4.340 0.001 0.000 0.268 195 R C -2.382 173.969 176.300 0.084 0.000 1.044 195 R CA -1.221 54.938 56.100 0.098 0.000 1.105 195 R CB -0.085 30.260 30.300 0.075 0.000 0.989 195 R HN 0.315 nan 8.270 nan 0.000 0.447 196 P HA -0.089 nan 4.420 nan 0.000 0.265 196 P C -0.551 176.770 177.300 0.035 0.000 1.193 196 P CA 0.360 63.498 63.100 0.063 0.000 0.765 196 P CB 0.262 31.989 31.700 0.045 0.000 0.823 197 Y N 4.217 124.476 120.300 -0.069 0.000 2.128 197 Y HA -0.275 4.276 4.550 0.001 0.000 0.284 197 Y C 2.347 178.171 175.900 -0.127 0.000 1.154 197 Y CA 1.564 59.577 58.100 -0.145 0.000 1.149 197 Y CB -0.017 38.375 38.460 -0.112 0.000 0.976 197 Y HN 0.240 nan 8.280 nan 0.000 0.505 198 R N 0.261 120.724 120.500 -0.061 0.000 2.096 198 R HA -0.223 4.118 4.340 0.001 0.000 0.240 198 R C 2.300 178.502 176.300 -0.163 0.000 1.139 198 R CA 2.079 58.112 56.100 -0.110 0.000 0.952 198 R CB -0.398 29.912 30.300 0.017 0.000 0.854 198 R HN 0.671 nan 8.270 nan 0.000 0.436 199 E N -0.634 119.500 120.200 -0.110 0.000 2.274 199 E HA -0.080 4.271 4.350 0.001 0.000 0.194 199 E C 1.291 177.810 176.600 -0.136 0.000 0.996 199 E CA 1.272 57.620 56.400 -0.087 0.000 0.840 199 E CB -0.073 29.607 29.700 -0.034 0.000 0.772 199 E HN 0.125 nan 8.360 nan 0.000 0.491 200 T N 1.222 115.630 114.554 -0.244 0.000 2.737 200 T HA -0.096 4.255 4.350 0.001 0.000 0.265 200 T C 2.043 176.531 174.700 -0.353 0.000 1.038 200 T CA 1.405 63.312 62.100 -0.321 0.000 1.144 200 T CB -0.170 68.374 68.868 -0.541 0.000 0.866 200 T HN 0.044 nan 8.240 nan 0.000 0.434 201 V N 1.285 120.884 119.914 -0.525 0.000 2.427 201 V HA -0.136 3.984 4.120 0.001 0.000 0.248 201 V C 2.612 178.638 176.094 -0.114 0.000 1.051 201 V CA 1.531 63.630 62.300 -0.335 0.000 1.048 201 V CB -0.571 30.971 31.823 -0.469 0.000 0.666 201 V HN 0.348 nan 8.190 nan 0.000 0.456 202 R N -0.300 120.126 120.500 -0.123 0.000 2.081 202 R HA -0.191 4.150 4.340 0.001 0.000 0.235 202 R C 2.433 178.713 176.300 -0.033 0.000 1.131 202 R CA 1.777 57.838 56.100 -0.065 0.000 0.960 202 R CB -0.227 30.046 30.300 -0.046 0.000 0.856 202 R HN 0.630 nan 8.270 nan 0.000 0.436 203 E N 0.029 120.222 120.200 -0.012 0.000 2.072 203 E HA -0.204 4.147 4.350 0.001 0.000 0.191 203 E C 1.710 178.327 176.600 0.027 0.000 0.985 203 E CA 0.892 57.298 56.400 0.009 0.000 0.801 203 E CB -0.112 29.610 29.700 0.037 0.000 0.750 203 E HN 0.266 nan 8.360 nan 0.000 0.452 204 F N 1.323 121.232 119.950 -0.068 0.000 2.065 204 F HA -0.265 4.263 4.527 0.001 0.000 0.298 204 F C 1.963 177.708 175.800 -0.091 0.000 1.112 204 F CA 1.566 59.544 58.000 -0.036 0.000 1.212 204 F CB -0.062 38.996 39.000 0.096 0.000 0.975 204 F HN 0.014 nan 8.300 nan 0.000 0.476 205 L N -0.059 121.083 121.223 -0.135 0.000 2.141 205 L HA -0.195 4.145 4.340 0.001 0.000 0.209 205 L C 2.379 179.119 176.870 -0.218 0.000 1.094 205 L CA 1.608 56.297 54.840 -0.252 0.000 0.763 205 L CB -0.787 41.175 42.059 -0.161 0.000 0.908 205 L HN 0.279 nan 8.230 nan 0.000 0.437 206 E N 0.862 120.971 120.200 -0.152 0.000 2.072 206 E HA -0.197 4.153 4.350 0.001 0.000 0.191 206 E C 2.286 178.785 176.600 -0.168 0.000 0.985 206 E CA 0.990 57.317 56.400 -0.123 0.000 0.801 206 E CB 0.042 29.698 29.700 -0.074 0.000 0.750 206 E HN 0.413 nan 8.360 nan 0.000 0.452 207 I N 0.803 121.230 120.570 -0.239 0.000 2.099 207 I HA -0.326 3.845 4.170 0.001 0.000 0.239 207 I C 2.425 178.367 176.117 -0.291 0.000 1.066 207 I CA 1.064 62.176 61.300 -0.312 0.000 1.324 207 I CB -0.309 37.406 38.000 -0.475 0.000 1.037 207 I HN 0.202 nan 8.210 nan 0.000 0.401 208 L N 0.217 121.201 121.223 -0.399 0.000 1.990 208 L HA -0.279 4.062 4.340 0.001 0.000 0.213 208 L C 2.564 179.297 176.870 -0.229 0.000 1.072 208 L CA 1.641 56.264 54.840 -0.362 0.000 0.755 208 L CB -0.673 41.076 42.059 -0.516 0.000 0.889 208 L HN 0.269 nan 8.230 nan 0.000 0.432 209 E N 0.074 120.151 120.200 -0.204 0.000 2.033 209 E HA -0.301 4.050 4.350 0.001 0.000 0.199 209 E C 2.198 178.735 176.600 -0.105 0.000 1.011 209 E CA 1.893 58.212 56.400 -0.135 0.000 0.815 209 E CB -0.042 29.592 29.700 -0.111 0.000 0.755 209 E HN 0.247 nan 8.360 nan 0.000 0.451 210 K N -0.346 119.993 120.400 -0.102 0.000 1.978 210 K HA -0.209 4.112 4.320 0.001 0.000 0.214 210 K C 2.416 178.977 176.600 -0.064 0.000 1.049 210 K CA 2.029 58.273 56.287 -0.071 0.000 0.939 210 K CB -0.482 31.982 32.500 -0.060 0.000 0.721 210 K HN 0.200 nan 8.250 nan 0.000 0.441 211 T N 0.424 114.931 114.554 -0.078 0.000 2.788 211 T HA -0.096 4.255 4.350 0.001 0.000 0.268 211 T C 1.939 176.603 174.700 -0.060 0.000 1.044 211 T CA 1.228 63.292 62.100 -0.060 0.000 1.139 211 T CB -0.152 68.678 68.868 -0.063 0.000 0.867 211 T HN 0.259 nan 8.240 nan 0.000 0.454 212 L N 0.659 121.834 121.223 -0.081 0.000 2.217 212 L HA 0.031 4.372 4.340 0.001 0.000 0.211 212 L C 3.002 179.840 176.870 -0.053 0.000 1.107 212 L CA 0.919 55.718 54.840 -0.069 0.000 0.783 212 L CB -0.399 41.606 42.059 -0.090 0.000 0.919 212 L HN 0.302 nan 8.230 nan 0.000 0.442 213 S N -0.260 115.408 115.700 -0.053 0.000 2.436 213 S HA -0.139 4.331 4.470 0.001 0.000 0.228 213 S C 1.584 176.166 174.600 -0.029 0.000 1.014 213 S CA 0.813 58.988 58.200 -0.041 0.000 0.950 213 S CB -0.024 63.151 63.200 -0.041 0.000 0.784 213 S HN 0.576 nan 8.310 nan 0.000 0.504 214 Q N 0.089 119.872 119.800 -0.027 0.000 2.246 214 Q HA 0.423 4.764 4.340 0.001 0.000 0.202 214 Q C 1.019 177.010 176.000 -0.015 0.000 0.883 214 Q CA 0.413 56.205 55.803 -0.018 0.000 0.952 214 Q CB 0.117 28.846 28.738 -0.014 0.000 1.078 214 Q HN 0.366 nan 8.270 nan 0.000 0.493 215 G N 0.243 109.032 108.800 -0.019 0.000 2.159 215 G HA2 -0.272 3.688 3.960 0.001 0.000 0.256 215 G HA3 -0.272 3.688 3.960 0.001 0.000 0.256 215 G C 0.412 175.306 174.900 -0.010 0.000 0.977 215 G CA -0.242 44.850 45.100 -0.013 0.000 0.652 215 G HN 0.690 nan 8.290 nan 0.000 0.531 216 G N -0.548 108.243 108.800 -0.015 0.000 2.616 216 G HA2 0.546 4.507 3.960 0.001 0.000 0.268 216 G HA3 0.546 4.507 3.960 0.001 0.000 0.268 216 G C 0.044 174.934 174.900 -0.017 0.000 1.213 216 G CA -0.358 44.735 45.100 -0.012 0.000 0.926 216 G HN 0.441 nan 8.290 nan 0.000 0.523 217 K N -0.839 119.553 120.400 -0.013 0.000 2.123 217 K HA 0.505 4.826 4.320 0.001 0.000 0.259 217 K C -1.072 175.507 176.600 -0.035 0.000 0.960 217 K CA -0.668 55.608 56.287 -0.018 0.000 0.872 217 K CB 2.532 35.026 32.500 -0.010 0.000 1.079 217 K HN 0.143 nan 8.250 nan 0.000 0.440 218 V N 4.136 124.020 119.914 -0.050 0.000 2.334 218 V HA 0.186 4.307 4.120 0.001 0.000 0.281 218 V C -0.809 175.243 176.094 -0.070 0.000 1.016 218 V CA -0.922 61.337 62.300 -0.068 0.000 0.832 218 V CB 0.947 32.708 31.823 -0.103 0.000 0.999 218 V HN 0.492 nan 8.190 nan 0.000 0.439 219 L N 6.704 127.879 121.223 -0.079 0.000 2.275 219 L HA 0.573 4.913 4.340 0.001 0.000 0.288 219 L C -0.125 176.669 176.870 -0.126 0.000 1.046 219 L CA -0.181 54.597 54.840 -0.103 0.000 0.805 219 L CB 1.062 43.069 42.059 -0.088 0.000 1.193 219 L HN 0.474 nan 8.230 nan 0.000 0.426 220 I N 5.822 126.323 120.570 -0.115 0.000 2.493 220 I HA 0.280 4.451 4.170 0.001 0.000 0.279 220 I C -2.312 173.733 176.117 -0.120 0.000 1.045 220 I CA -1.618 59.610 61.300 -0.120 0.000 1.106 220 I CB 2.183 40.144 38.000 -0.064 0.000 1.216 220 I HN 0.374 nan 8.210 nan 0.000 0.459 221 P HA 0.200 nan 4.420 nan 0.000 0.276 221 P C -0.517 176.672 177.300 -0.185 0.000 1.230 221 P CA 0.114 63.155 63.100 -0.099 0.000 0.776 221 P CB 1.303 32.987 31.700 -0.027 0.000 0.888 222 T N -0.346 114.083 114.554 -0.209 0.000 2.894 222 T HA 0.606 4.957 4.350 0.001 0.000 0.309 222 T C -0.420 174.119 174.700 -0.268 0.000 1.208 222 T CA -0.730 61.178 62.100 -0.320 0.000 1.016 222 T CB 0.508 69.280 68.868 -0.160 0.000 1.192 222 T HN 0.076 nan 8.240 nan 0.000 0.491 223 F N 0.906 120.892 119.950 0.061 0.000 2.382 223 F HA 0.595 5.122 4.527 0.001 0.000 0.331 223 F C 1.753 177.582 175.800 0.049 0.000 1.121 223 F CA -0.822 57.216 58.000 0.065 0.000 1.183 223 F CB 0.769 39.811 39.000 0.070 0.000 1.207 223 F HN 0.840 nan 8.300 nan 0.000 0.555 224 A N 1.461 124.417 122.820 0.226 0.000 2.123 224 A HA 0.082 4.402 4.320 0.001 0.000 0.214 224 A C 1.808 179.451 177.584 0.098 0.000 1.152 224 A CA 0.572 52.680 52.037 0.118 0.000 0.728 224 A CB -0.588 18.463 19.000 0.086 0.000 0.814 224 A HN 0.622 nan 8.150 nan 0.000 0.464 225 V N -0.220 119.797 119.914 0.171 0.000 2.591 225 V HA -0.082 4.039 4.120 0.001 0.000 0.249 225 V C 2.183 178.346 176.094 0.115 0.000 1.053 225 V CA 2.126 64.510 62.300 0.141 0.000 1.068 225 V CB -0.006 31.945 31.823 0.214 0.000 0.689 225 V HN 0.780 nan 8.190 nan 0.000 0.462 226 E N -0.756 119.534 120.200 0.150 0.000 2.624 226 E HA -0.017 4.333 4.350 0.001 0.000 0.192 226 E C 1.984 178.663 176.600 0.133 0.000 0.961 226 E CA 0.044 56.528 56.400 0.139 0.000 1.632 226 E CB 0.009 29.757 29.700 0.080 0.000 2.082 226 E HN 0.253 nan 8.360 nan 0.000 1.040 227 R N 1.784 122.389 120.500 0.176 0.000 2.073 227 R HA 0.116 4.457 4.340 0.001 0.000 0.234 227 R C 2.163 178.483 176.300 0.033 0.000 1.134 227 R CA 2.398 58.583 56.100 0.140 0.000 0.952 227 R CB -0.911 29.537 30.300 0.247 0.000 0.850 227 R HN 0.196 nan 8.270 nan 0.000 0.433 228 A N -0.021 122.813 122.820 0.023 0.000 1.877 228 A HA -0.182 4.139 4.320 0.001 0.000 0.216 228 A C 2.072 179.654 177.584 -0.003 0.000 1.186 228 A CA 1.613 53.637 52.037 -0.021 0.000 0.620 228 A CB -0.552 18.434 19.000 -0.024 0.000 0.822 228 A HN 0.422 nan 8.150 nan 0.000 0.443 229 Q N -0.401 119.379 119.800 -0.034 0.000 2.170 229 Q HA -0.162 4.179 4.340 0.001 0.000 0.203 229 Q C 1.923 178.076 176.000 0.256 0.000 0.976 229 Q CA 1.728 57.514 55.803 -0.028 0.000 0.858 229 Q CB -0.283 28.190 28.738 -0.441 0.000 0.907 229 Q HN 0.867 nan 8.270 nan 0.000 0.433 230 E N -0.050 120.283 120.200 0.221 0.000 2.106 230 E HA -0.169 4.181 4.350 0.001 0.000 0.192 230 E C 1.482 178.225 176.600 0.238 0.000 0.984 230 E CA 0.797 57.373 56.400 0.293 0.000 0.806 230 E CB 0.081 29.910 29.700 0.215 0.000 0.750 230 E HN 0.250 nan 8.360 nan 0.000 0.458 231 I N 1.196 121.797 120.570 0.051 0.000 2.315 231 I HA -0.244 3.926 4.170 0.001 0.000 0.248 231 I C 2.374 178.562 176.117 0.120 0.000 1.117 231 I CA 1.009 62.277 61.300 -0.054 0.000 1.404 231 I CB -1.004 36.891 38.000 -0.174 0.000 1.071 231 I HN 0.290 nan 8.210 nan 0.000 0.419 232 L N -0.594 120.725 121.223 0.159 0.000 2.046 232 L HA -0.278 4.063 4.340 0.001 0.000 0.208 232 L C 2.735 179.729 176.870 0.207 0.000 1.077 232 L CA 1.515 56.459 54.840 0.173 0.000 0.747 232 L CB -0.938 41.227 42.059 0.175 0.000 0.896 232 L HN 0.149 nan 8.230 nan 0.000 0.432 233 Y N 0.553 120.933 120.300 0.135 0.000 2.081 233 Y HA -0.290 4.261 4.550 0.001 0.000 0.280 233 Y C 2.480 178.455 175.900 0.125 0.000 1.163 233 Y CA 1.905 59.999 58.100 -0.010 0.000 1.135 233 Y CB -0.417 38.022 38.460 -0.035 0.000 0.970 233 Y HN -0.168 nan 8.280 nan 0.000 0.498 234 V N 0.465 120.560 119.914 0.302 0.000 2.287 234 V HA -0.360 3.760 4.120 0.001 0.000 0.248 234 V C 2.491 178.736 176.094 0.252 0.000 1.053 234 V CA 2.177 64.661 62.300 0.308 0.000 1.027 234 V CB -0.853 31.159 31.823 0.316 0.000 0.646 234 V HN 0.458 nan 8.190 nan 0.000 0.447 235 L N -1.513 119.829 121.223 0.199 0.000 2.046 235 L HA -0.218 4.123 4.340 0.001 0.000 0.208 235 L C 2.457 179.338 176.870 0.018 0.000 1.077 235 L CA 2.103 57.011 54.840 0.115 0.000 0.747 235 L CB -0.678 41.437 42.059 0.093 0.000 0.896 235 L HN 0.412 nan 8.230 nan 0.000 0.432 236 Y N 1.322 121.542 120.300 -0.133 0.000 2.145 236 Y HA -0.282 4.269 4.550 0.001 0.000 0.286 236 Y C 2.780 178.498 175.900 -0.303 0.000 1.145 236 Y CA 2.066 60.020 58.100 -0.244 0.000 1.148 236 Y CB -0.302 37.944 38.460 -0.356 0.000 0.981 236 Y HN 0.240 nan 8.280 nan 0.000 0.507 237 T N -2.569 111.866 114.554 -0.198 0.000 3.163 237 T HA -0.050 4.301 4.350 0.001 0.000 0.260 237 T C 0.446 174.856 174.700 -0.483 0.000 1.156 237 T CA 1.014 62.923 62.100 -0.320 0.000 1.072 237 T CB -0.460 68.182 68.868 -0.377 0.000 0.937 237 T HN 0.568 nan 8.240 nan 0.000 0.528 238 H N -0.923 117.975 119.070 -0.287 0.000 2.904 238 H HA 0.346 4.903 4.556 0.001 0.000 0.242 238 H C 1.714 176.666 175.328 -0.627 0.000 1.193 238 H CA -0.130 55.583 56.048 -0.559 0.000 0.946 238 H CB 0.529 30.127 29.762 -0.273 0.000 2.135 238 H HN 0.452 nan 8.280 nan 0.000 0.652 239 G N 0.579 109.129 108.800 -0.416 0.000 2.511 239 G HA2 -0.206 3.755 3.960 0.001 0.000 0.217 239 G HA3 -0.206 3.755 3.960 0.001 0.000 0.217 239 G C 1.165 175.901 174.900 -0.274 0.000 1.133 239 G CA 0.207 45.127 45.100 -0.301 0.000 0.792 239 G HN 0.498 nan 8.290 nan 0.000 0.539 240 H N -0.146 118.840 119.070 -0.141 0.000 2.602 240 H HA 0.166 4.723 4.556 0.001 0.000 0.285 240 H C 1.489 176.774 175.328 -0.071 0.000 1.093 240 H CA 0.745 56.724 56.048 -0.114 0.000 1.201 240 H CB -0.297 29.390 29.762 -0.126 0.000 1.294 240 H HN 0.568 nan 8.280 nan 0.000 0.633 241 R N -1.277 119.147 120.500 -0.126 0.000 2.289 241 R HA 0.154 4.494 4.340 0.001 0.000 0.176 241 R C -1.116 175.131 176.300 -0.089 0.000 0.625 241 R CA -0.354 55.716 56.100 -0.050 0.000 0.896 241 R CB -0.380 29.938 30.300 0.030 0.000 1.430 241 R HN 0.193 nan 8.270 nan 0.000 0.473 242 L N 4.086 125.232 121.223 -0.128 0.000 2.307 242 L HA 0.554 4.894 4.340 0.001 0.000 0.282 242 L C -1.802 175.009 176.870 -0.098 0.000 1.051 242 L CA -2.220 52.548 54.840 -0.120 0.000 0.804 242 L CB 1.467 43.439 42.059 -0.144 0.000 1.197 242 L HN -0.068 nan 8.230 nan 0.000 0.431 243 P HA 0.020 nan 4.420 nan 0.000 0.265 243 P C -0.745 176.511 177.300 -0.073 0.000 1.193 243 P CA -0.218 62.840 63.100 -0.070 0.000 0.765 243 P CB 0.373 32.035 31.700 -0.063 0.000 0.823 244 R N 1.625 122.087 120.500 -0.063 0.000 2.537 244 R HA 0.361 4.701 4.340 0.001 0.000 0.281 244 R C 0.271 176.533 176.300 -0.062 0.000 0.988 244 R CA 0.494 56.555 56.100 -0.064 0.000 1.077 244 R CB -0.218 30.051 30.300 -0.052 0.000 0.932 244 R HN 0.685 nan 8.270 nan 0.000 0.409 245 A N 4.690 127.466 122.820 -0.074 0.000 2.582 245 A HA 0.424 4.745 4.320 0.001 0.000 0.297 245 A C -2.653 174.865 177.584 -0.111 0.000 1.059 245 A CA -1.345 50.650 52.037 -0.071 0.000 0.705 245 A CB 1.647 20.608 19.000 -0.064 0.000 1.279 245 A HN 0.466 nan 8.150 nan 0.000 0.404 246 P HA 0.480 nan 4.420 nan 0.000 0.275 246 P C -0.813 176.255 177.300 -0.386 0.000 1.227 246 P CA 0.163 63.071 63.100 -0.320 0.000 0.781 246 P CB 0.699 32.159 31.700 -0.401 0.000 0.906 247 I N 3.383 123.693 120.570 -0.432 0.000 2.354 247 I HA 0.237 4.408 4.170 0.001 0.000 0.286 247 I C -0.394 175.506 176.117 -0.362 0.000 1.007 247 I CA -0.833 60.302 61.300 -0.275 0.000 1.167 247 I CB 0.739 38.656 38.000 -0.139 0.000 1.320 247 I HN 0.265 nan 8.210 nan 0.000 0.458 248 Y N 6.465 126.738 120.300 -0.045 0.000 2.353 248 Y HA 0.338 4.888 4.550 0.001 0.000 0.340 248 Y C -0.050 175.822 175.900 -0.048 0.000 0.972 248 Y CA -0.830 57.243 58.100 -0.044 0.000 1.157 248 Y CB 1.321 39.747 38.460 -0.056 0.000 1.157 248 Y HN 0.401 nan 8.280 nan 0.000 0.495 249 L N 4.705 125.983 121.223 0.091 0.000 2.358 249 L HA 0.283 4.623 4.340 0.001 0.000 0.274 249 L C -0.138 176.772 176.870 0.066 0.000 1.136 249 L CA -0.165 54.703 54.840 0.047 0.000 0.970 249 L CB -0.195 41.871 42.059 0.013 0.000 1.314 249 L HN 0.519 nan 8.230 nan 0.000 0.427 250 D N 2.446 122.889 120.400 0.072 0.000 2.713 250 D HA 0.198 4.838 4.640 0.001 0.000 0.229 250 D C -0.676 175.661 176.300 0.061 0.000 1.136 250 D CA 0.404 54.453 54.000 0.081 0.000 1.010 250 D CB 0.006 40.879 40.800 0.122 0.000 1.084 250 D HN 0.380 nan 8.370 nan 0.000 0.495 251 S N 2.132 117.851 115.700 0.032 0.000 2.461 251 S HA 0.311 4.782 4.470 0.001 0.000 0.245 251 S C -2.231 172.368 174.600 -0.002 0.000 1.039 251 S CA -0.995 57.218 58.200 0.021 0.000 1.077 251 S CB 1.292 64.507 63.200 0.025 0.000 1.171 251 S HN -0.050 nan 8.310 nan 0.000 0.433 252 P HA -0.153 nan 4.420 nan 0.000 0.215 252 P C 1.709 178.998 177.300 -0.019 0.000 1.157 252 P CA 1.174 64.252 63.100 -0.037 0.000 0.874 252 P CB 0.018 31.687 31.700 -0.052 0.000 0.790 253 M N -0.792 118.809 119.600 0.000 0.000 2.108 253 M HA -0.176 4.304 4.480 0.001 0.000 0.261 253 M C 1.925 178.222 176.300 -0.005 0.000 1.066 253 M CA 2.248 57.554 55.300 0.009 0.000 1.107 253 M CB -0.503 32.118 32.600 0.035 0.000 1.356 253 M HN -0.127 nan 8.290 nan 0.000 0.406 254 A N 0.101 122.917 122.820 -0.007 0.000 1.940 254 A HA -0.054 4.267 4.320 0.001 0.000 0.219 254 A C 2.251 179.791 177.584 -0.073 0.000 1.176 254 A CA 1.816 53.830 52.037 -0.038 0.000 0.631 254 A CB -1.634 17.351 19.000 -0.024 0.000 0.814 254 A HN 0.662 nan 8.150 nan 0.000 0.446 255 G N -0.414 108.358 108.800 -0.047 0.000 2.433 255 G HA2 -0.228 3.732 3.960 0.001 0.000 0.216 255 G HA3 -0.228 3.732 3.960 0.001 0.000 0.216 255 G C 1.746 176.615 174.900 -0.052 0.000 1.186 255 G CA 0.826 45.897 45.100 -0.049 0.000 0.779 255 G HN 0.563 nan 8.290 nan 0.000 0.543 256 R N -0.159 120.319 120.500 -0.037 0.000 2.105 256 R HA -0.040 4.300 4.340 0.001 0.000 0.239 256 R C 2.621 178.898 176.300 -0.037 0.000 1.135 256 R CA 1.190 57.276 56.100 -0.024 0.000 0.967 256 R CB -0.672 29.622 30.300 -0.009 0.000 0.861 256 R HN 0.314 nan 8.270 nan 0.000 0.442 257 V N 1.575 121.449 119.914 -0.067 0.000 2.358 257 V HA -0.214 3.906 4.120 0.001 0.000 0.246 257 V C 2.246 178.190 176.094 -0.250 0.000 1.047 257 V CA 1.402 63.640 62.300 -0.104 0.000 1.035 257 V CB -0.461 31.293 31.823 -0.116 0.000 0.658 257 V HN 0.224 nan 8.190 nan 0.000 0.452 258 L N 0.271 121.315 121.223 -0.299 0.000 2.042 258 L HA -0.147 4.194 4.340 0.001 0.000 0.210 258 L C 2.468 179.265 176.870 -0.122 0.000 1.076 258 L CA 2.245 56.872 54.840 -0.356 0.000 0.749 258 L CB -0.839 41.097 42.059 -0.206 0.000 0.893 258 L HN 0.269 nan 8.230 nan 0.000 0.432 259 S N -0.503 115.172 115.700 -0.042 0.000 2.399 259 S HA -0.148 4.323 4.470 0.001 0.000 0.231 259 S C 1.770 176.414 174.600 0.072 0.000 1.022 259 S CA 1.464 59.681 58.200 0.027 0.000 0.983 259 S CB -0.519 62.693 63.200 0.019 0.000 0.803 259 S HN 0.490 nan 8.310 nan 0.000 0.480 260 L N 0.458 121.729 121.223 0.080 0.000 2.313 260 L HA 0.118 4.458 4.340 0.001 0.000 0.214 260 L C 1.649 178.660 176.870 0.234 0.000 1.119 260 L CA 1.320 56.235 54.840 0.124 0.000 0.809 260 L CB -0.676 41.443 42.059 0.100 0.000 0.933 260 L HN 0.334 nan 8.230 nan 0.000 0.449 261 Y N 0.528 120.839 120.300 0.019 0.000 2.114 261 Y HA -0.241 4.309 4.550 0.001 0.000 0.282 261 Y C -0.220 175.755 175.900 0.124 0.000 1.165 261 Y CA 1.299 59.453 58.100 0.090 0.000 1.148 261 Y CB -1.436 36.961 38.460 -0.105 0.000 0.972 261 Y HN 0.297 nan 8.280 nan 0.000 0.504 262 P HA -0.140 nan 4.420 nan 0.000 0.225 262 P C 0.691 177.934 177.300 -0.095 0.000 1.148 262 P CA 1.553 64.637 63.100 -0.027 0.000 0.779 262 P CB -0.041 31.748 31.700 0.148 0.000 0.780 263 R N -1.167 119.341 120.500 0.012 0.000 2.299 263 R HA 0.119 4.460 4.340 0.001 0.000 0.197 263 R C 0.406 176.708 176.300 0.004 0.000 0.971 263 R CA 0.478 56.579 56.100 0.001 0.000 1.030 263 R CB -0.033 30.281 30.300 0.022 0.000 0.932 263 R HN 0.145 nan 8.270 nan 0.000 0.477 264 L N 0.033 121.262 121.223 0.011 0.000 3.168 264 L HA 0.144 4.484 4.340 0.001 0.000 0.277 264 L C 1.461 178.359 176.870 0.046 0.000 1.245 264 L CA 0.120 54.979 54.840 0.032 0.000 1.035 264 L CB 0.131 42.069 42.059 -0.203 0.000 1.399 264 L HN -0.126 nan 8.230 nan 0.000 0.580 265 V N 1.371 121.280 119.914 -0.008 0.000 2.313 265 V HA -0.347 3.773 4.120 0.001 0.000 0.253 265 V C 2.659 178.808 176.094 0.091 0.000 1.070 265 V CA 2.504 64.809 62.300 0.008 0.000 1.057 265 V CB -0.714 30.898 31.823 -0.352 0.000 0.653 265 V HN 0.641 nan 8.190 nan 0.000 0.450 266 R N -0.824 119.646 120.500 -0.050 0.000 2.241 266 R HA -0.148 4.193 4.340 0.001 0.000 0.224 266 R C 1.805 177.937 176.300 -0.280 0.000 1.101 266 R CA 1.761 57.761 56.100 -0.167 0.000 0.995 266 R CB -0.590 29.542 30.300 -0.280 0.000 0.870 266 R HN 0.524 nan 8.270 nan 0.000 0.463 267 Y N -0.220 119.933 120.300 -0.244 0.000 2.466 267 Y HA 0.258 4.809 4.550 0.001 0.000 0.272 267 Y C 0.158 175.757 175.900 -0.501 0.000 1.169 267 Y CA -0.449 57.430 58.100 -0.367 0.000 1.285 267 Y CB 0.235 38.385 38.460 -0.516 0.000 1.078 267 Y HN -0.112 nan 8.280 nan 0.000 0.523 268 F N -0.520 119.457 119.950 0.045 0.000 2.410 268 F HA 0.339 4.866 4.527 0.001 0.000 0.324 268 F C 1.050 176.858 175.800 0.014 0.000 1.093 268 F CA -1.581 56.437 58.000 0.030 0.000 1.028 268 F CB 0.391 39.461 39.000 0.116 0.000 1.309 268 F HN -0.263 nan 8.300 nan 0.000 0.499 269 S N 0.156 115.996 115.700 0.233 0.000 2.596 269 S HA 0.077 4.548 4.470 0.001 0.000 0.260 269 S C 0.934 175.606 174.600 0.120 0.000 1.336 269 S CA -0.620 57.645 58.200 0.108 0.000 0.993 269 S CB 0.676 63.913 63.200 0.062 0.000 0.923 269 S HN 0.597 nan 8.310 nan 0.000 0.567 270 E N 1.068 121.311 120.200 0.071 0.000 2.049 270 E HA -0.238 4.113 4.350 0.001 0.000 0.198 270 E C 1.915 178.562 176.600 0.078 0.000 1.007 270 E CA 1.733 58.172 56.400 0.065 0.000 0.809 270 E CB -0.629 29.092 29.700 0.035 0.000 0.749 270 E HN 0.946 nan 8.360 nan 0.000 0.450 271 E N 0.792 121.039 120.200 0.078 0.000 2.097 271 E HA -0.184 4.167 4.350 0.001 0.000 0.196 271 E C 2.170 178.866 176.600 0.159 0.000 1.000 271 E CA 1.417 57.871 56.400 0.090 0.000 0.804 271 E CB 0.129 29.911 29.700 0.137 0.000 0.740 271 E HN 0.022 nan 8.360 nan 0.000 0.454 272 V N 1.031 121.055 119.914 0.182 0.000 2.270 272 V HA -0.266 3.855 4.120 0.001 0.000 0.245 272 V C 2.458 178.731 176.094 0.299 0.000 1.043 272 V CA 2.076 64.502 62.300 0.210 0.000 1.014 272 V CB -0.560 31.312 31.823 0.081 0.000 0.645 272 V HN 0.344 nan 8.190 nan 0.000 0.447 273 Q N -0.191 119.796 119.800 0.311 0.000 2.112 273 Q HA -0.261 4.079 4.340 0.001 0.000 0.206 273 Q C 2.425 178.567 176.000 0.235 0.000 0.987 273 Q CA 1.881 57.887 55.803 0.337 0.000 0.858 273 Q CB -0.513 28.349 28.738 0.206 0.000 0.905 273 Q HN 0.676 nan 8.270 nan 0.000 0.420 274 A N 0.937 123.817 122.820 0.100 0.000 1.903 274 A HA -0.295 4.026 4.320 0.001 0.000 0.219 274 A C 1.609 179.173 177.584 -0.033 0.000 1.191 274 A CA 2.158 54.189 52.037 -0.011 0.000 0.638 274 A CB -1.020 17.906 19.000 -0.123 0.000 0.823 274 A HN 0.467 nan 8.150 nan 0.000 0.451 275 H N -2.301 116.772 119.070 0.005 0.000 2.353 275 H HA -0.089 4.468 4.556 0.001 0.000 0.300 275 H C 1.758 177.026 175.328 -0.100 0.000 1.090 275 H CA 2.008 57.993 56.048 -0.104 0.000 1.327 275 H CB -0.285 29.312 29.762 -0.276 0.000 1.383 275 H HN 0.528 nan 8.280 nan 0.000 0.508 276 F N -0.244 119.780 119.950 0.125 0.000 2.269 276 F HA -0.097 4.431 4.527 0.001 0.000 0.301 276 F C 1.344 177.184 175.800 0.067 0.000 1.082 276 F CA 0.640 58.692 58.000 0.086 0.000 1.360 276 F CB -0.147 38.911 39.000 0.096 0.000 1.041 276 F HN 0.082 nan 8.300 nan 0.000 0.512 277 L N -0.116 121.240 121.223 0.222 0.000 2.777 277 L HA 0.062 4.403 4.340 0.001 0.000 0.244 277 L C 0.729 177.651 176.870 0.086 0.000 1.235 277 L CA 1.014 55.933 54.840 0.131 0.000 1.062 277 L CB -0.719 41.396 42.059 0.093 0.000 1.340 277 L HN 0.198 nan 8.230 nan 0.000 0.439 278 Q N -1.626 118.229 119.800 0.092 0.000 2.036 278 Q HA 0.273 4.613 4.340 0.001 0.000 0.208 278 Q C 1.247 177.289 176.000 0.070 0.000 0.770 278 Q CA 0.433 56.275 55.803 0.064 0.000 0.992 278 Q CB 1.167 29.935 28.738 0.050 0.000 1.209 278 Q HN 0.343 nan 8.270 nan 0.000 0.445 279 G N 2.031 110.888 108.800 0.094 0.000 2.184 279 G HA2 -0.305 3.656 3.960 0.001 0.000 0.264 279 G HA3 -0.305 3.656 3.960 0.001 0.000 0.264 279 G C 0.054 174.995 174.900 0.069 0.000 0.975 279 G CA 0.275 45.431 45.100 0.092 0.000 0.642 279 G HN 0.152 nan 8.290 nan 0.000 0.536 280 K N 0.867 121.286 120.400 0.031 0.000 2.248 280 K HA 0.311 4.632 4.320 0.001 0.000 0.281 280 K C -0.274 176.141 176.600 -0.309 0.000 1.054 280 K CA -0.681 55.574 56.287 -0.054 0.000 0.903 280 K CB 0.773 33.286 32.500 0.022 0.000 1.077 280 K HN 0.133 nan 8.250 nan 0.000 0.474 281 N N 5.035 123.547 118.700 -0.313 0.000 2.437 281 N HA 0.086 4.827 4.740 0.001 0.000 0.243 281 N C -1.826 173.177 175.510 -0.844 0.000 1.041 281 N CA -2.035 50.718 53.050 -0.496 0.000 0.940 281 N CB 1.049 39.495 38.487 -0.069 0.000 1.133 281 N HN 0.335 nan 8.380 nan 0.000 0.506 282 P HA -0.010 nan 4.420 nan 0.000 0.242 282 P C 0.316 176.819 177.300 -1.329 0.000 1.197 282 P CA 0.556 62.555 63.100 -1.835 0.000 0.765 282 P CB -0.083 30.748 31.700 -1.448 0.000 0.936 283 F N 0.204 119.866 119.950 -0.480 0.000 2.692 283 F HA 0.244 4.772 4.527 0.001 0.000 0.303 283 F C 1.303 177.028 175.800 -0.125 0.000 1.114 283 F CA 0.039 57.941 58.000 -0.163 0.000 1.361 283 F CB 0.080 39.069 39.000 -0.019 0.000 1.063 283 F HN -0.273 nan 8.300 nan 0.000 0.550 284 R N 1.529 121.983 120.500 -0.077 0.000 2.564 284 R HA 0.241 4.581 4.340 0.001 0.000 0.282 284 R C -2.621 173.786 176.300 0.179 0.000 1.573 284 R CA -1.588 54.541 56.100 0.048 0.000 1.588 284 R CB 0.589 30.910 30.300 0.035 0.000 1.154 284 R HN -0.068 nan 8.270 nan 0.000 0.606 285 P HA 0.009 nan 4.420 nan 0.000 0.271 285 P C -0.260 177.064 177.300 0.039 0.000 1.233 285 P CA -0.190 63.006 63.100 0.160 0.000 0.789 285 P CB 0.753 32.495 31.700 0.071 0.000 0.951 286 A N 0.763 123.563 122.820 -0.034 0.000 2.477 286 A HA 0.443 4.764 4.320 0.001 0.000 0.246 286 A C 1.432 178.972 177.584 -0.072 0.000 1.078 286 A CA 0.661 52.666 52.037 -0.053 0.000 0.770 286 A CB -1.315 17.637 19.000 -0.081 0.000 1.011 286 A HN 0.900 nan 8.150 nan 0.000 0.494 287 G N 0.617 109.371 108.800 -0.077 0.000 2.175 287 G HA2 -0.117 3.843 3.960 0.001 0.000 0.244 287 G HA3 -0.117 3.843 3.960 0.001 0.000 0.244 287 G C 0.199 175.001 174.900 -0.164 0.000 0.982 287 G CA 0.225 45.252 45.100 -0.121 0.000 0.641 287 G HN 1.749 nan 8.290 nan 0.000 0.527 288 L N 0.950 122.108 121.223 -0.109 0.000 2.525 288 L HA 0.690 5.030 4.340 0.001 0.000 0.278 288 L C 0.035 176.835 176.870 -0.116 0.000 1.218 288 L CA 0.190 54.965 54.840 -0.107 0.000 0.878 288 L CB 0.963 43.000 42.059 -0.036 0.000 1.127 288 L HN 0.252 nan 8.230 nan 0.000 0.492 289 E N 2.857 122.973 120.200 -0.139 0.000 2.308 289 E HA 0.493 4.843 4.350 0.001 0.000 0.275 289 E C -1.651 174.954 176.600 0.010 0.000 0.890 289 E CA -0.480 55.876 56.400 -0.073 0.000 0.754 289 E CB 1.953 31.573 29.700 -0.134 0.000 1.207 289 E HN 0.369 nan 8.360 nan 0.000 0.426 290 V N 4.317 124.249 119.914 0.030 0.000 2.318 290 V HA 0.311 4.432 4.120 0.001 0.000 0.271 290 V C -0.291 175.833 176.094 0.049 0.000 1.030 290 V CA -0.855 61.466 62.300 0.034 0.000 0.844 290 V CB 1.255 33.081 31.823 0.005 0.000 1.015 290 V HN 0.525 nan 8.190 nan 0.000 0.460 291 V N 5.300 125.260 119.914 0.076 0.000 2.455 291 V HA 0.240 4.360 4.120 0.001 0.000 0.273 291 V C 1.113 177.186 176.094 -0.034 0.000 1.045 291 V CA -0.158 62.174 62.300 0.053 0.000 0.976 291 V CB 1.059 32.928 31.823 0.075 0.000 0.993 291 V HN 0.867 nan 8.190 nan 0.000 0.475 292 E N 2.632 122.764 120.200 -0.114 0.000 2.127 292 E HA 0.089 4.440 4.350 0.001 0.000 0.191 292 E C 0.189 176.464 176.600 -0.541 0.000 0.964 292 E CA 0.819 57.000 56.400 -0.364 0.000 0.832 292 E CB 0.306 29.679 29.700 -0.546 0.000 0.790 292 E HN 0.875 nan 8.360 nan 0.000 0.465 293 H N -1.256 117.818 119.070 0.006 0.000 2.737 293 H HA 0.290 4.847 4.556 0.001 0.000 0.358 293 H C 1.038 176.349 175.328 -0.028 0.000 1.187 293 H CA -0.327 55.715 56.048 -0.009 0.000 1.221 293 H CB 1.237 30.993 29.762 -0.010 0.000 1.799 293 H HN -0.258 nan 8.280 nan 0.000 0.568 294 T N 0.222 114.830 114.554 0.090 0.000 2.746 294 T HA -0.155 4.196 4.350 0.001 0.000 0.267 294 T C 1.392 176.071 174.700 -0.035 0.000 1.039 294 T CA 1.720 63.809 62.100 -0.018 0.000 1.142 294 T CB -0.167 68.672 68.868 -0.049 0.000 0.866 294 T HN 0.535 nan 8.240 nan 0.000 0.444 295 E N 1.685 121.883 120.200 -0.002 0.000 2.048 295 E HA -0.146 4.205 4.350 0.001 0.000 0.202 295 E C 2.395 178.980 176.600 -0.026 0.000 1.021 295 E CA 1.585 57.972 56.400 -0.021 0.000 0.825 295 E CB -0.585 29.108 29.700 -0.012 0.000 0.756 295 E HN 0.513 nan 8.360 nan 0.000 0.454 296 A N 0.122 122.945 122.820 0.004 0.000 2.015 296 A HA -0.148 4.173 4.320 0.001 0.000 0.219 296 A C 2.256 179.812 177.584 -0.046 0.000 1.163 296 A CA 1.620 53.650 52.037 -0.012 0.000 0.646 296 A CB -0.642 18.374 19.000 0.027 0.000 0.806 296 A HN 0.229 nan 8.150 nan 0.000 0.448 297 S N -0.416 115.263 115.700 -0.035 0.000 2.356 297 S HA -0.174 4.296 4.470 0.001 0.000 0.223 297 S C 2.130 176.679 174.600 -0.086 0.000 1.032 297 S CA 1.608 59.787 58.200 -0.035 0.000 1.005 297 S CB -0.244 62.925 63.200 -0.051 0.000 0.867 297 S HN 0.473 nan 8.310 nan 0.000 0.449 298 K N 1.529 121.848 120.400 -0.135 0.000 2.026 298 K HA 0.058 4.379 4.320 0.001 0.000 0.208 298 K C 2.390 178.915 176.600 -0.125 0.000 1.048 298 K CA 1.260 57.452 56.287 -0.158 0.000 0.929 298 K CB -1.211 31.200 32.500 -0.149 0.000 0.713 298 K HN 0.454 nan 8.250 nan 0.000 0.439 299 A N 1.718 124.479 122.820 -0.099 0.000 1.948 299 A HA -0.167 4.154 4.320 0.001 0.000 0.220 299 A C 2.296 179.819 177.584 -0.102 0.000 1.177 299 A CA 1.414 53.396 52.037 -0.092 0.000 0.636 299 A CB -0.769 18.189 19.000 -0.069 0.000 0.815 299 A HN 0.233 nan 8.150 nan 0.000 0.449 300 L N -0.247 120.907 121.223 -0.115 0.000 2.191 300 L HA -0.196 4.145 4.340 0.001 0.000 0.212 300 L C 1.950 178.789 176.870 -0.052 0.000 1.103 300 L CA 0.967 55.722 54.840 -0.142 0.000 0.769 300 L CB -0.674 41.259 42.059 -0.210 0.000 0.908 300 L HN 0.402 nan 8.230 nan 0.000 0.438 301 N N 0.468 119.147 118.700 -0.035 0.000 2.309 301 N HA -0.122 4.619 4.740 0.001 0.000 0.182 301 N C 1.810 177.261 175.510 -0.098 0.000 1.018 301 N CA 1.048 54.074 53.050 -0.039 0.000 0.876 301 N CB -0.080 38.305 38.487 -0.170 0.000 0.972 301 N HN 0.452 nan 8.380 nan 0.000 0.434 302 R N 0.361 120.791 120.500 -0.117 0.000 2.189 302 R HA 0.297 4.638 4.340 0.001 0.000 0.203 302 R C 0.812 177.083 176.300 -0.049 0.000 1.012 302 R CA 0.052 56.097 56.100 -0.092 0.000 1.015 302 R CB 0.127 30.369 30.300 -0.097 0.000 0.938 302 R HN 0.021 nan 8.270 nan 0.000 0.472 303 A N 3.498 126.288 122.820 -0.049 0.000 2.466 303 A HA 0.232 4.552 4.320 0.001 0.000 0.238 303 A C -2.011 175.564 177.584 -0.014 0.000 1.074 303 A CA -0.939 51.079 52.037 -0.031 0.000 0.774 303 A CB -0.149 18.826 19.000 -0.042 0.000 1.015 303 A HN 0.013 nan 8.150 nan 0.000 0.498 304 P HA 0.395 nan 4.420 nan 0.000 0.280 304 P C 0.321 177.629 177.300 0.014 0.000 1.272 304 P CA -0.062 63.042 63.100 0.005 0.000 0.819 304 P CB 1.083 32.786 31.700 0.005 0.000 1.122 305 G N 0.560 109.368 108.800 0.013 0.000 2.535 305 G HA2 0.446 4.406 3.960 0.001 0.000 0.282 305 G HA3 0.446 4.406 3.960 0.001 0.000 0.282 305 G C -2.243 172.665 174.900 0.013 0.000 1.350 305 G CA -1.147 43.962 45.100 0.017 0.000 1.039 305 G HN 0.443 nan 8.290 nan 0.000 0.509 306 P HA 0.406 nan 4.420 nan 0.000 0.276 306 P C -0.530 176.785 177.300 0.024 0.000 1.244 306 P CA 0.002 63.102 63.100 0.000 0.000 0.801 306 P CB 1.323 33.011 31.700 -0.020 0.000 1.006 307 M N -1.164 118.448 119.600 0.020 0.000 2.860 307 M HA 0.382 4.863 4.480 0.001 0.000 0.270 307 M C -2.209 174.108 176.300 0.028 0.000 0.988 307 M CA -0.933 54.406 55.300 0.065 0.000 0.807 307 M CB 1.069 33.789 32.600 0.200 0.000 1.708 307 M HN -0.084 nan 8.290 nan 0.000 0.558 308 V N 2.323 122.254 119.914 0.027 0.000 2.459 308 V HA 0.761 4.882 4.120 0.001 0.000 0.295 308 V C -0.705 175.417 176.094 0.047 0.000 1.029 308 V CA -0.632 61.665 62.300 -0.005 0.000 0.874 308 V CB 1.850 33.650 31.823 -0.038 0.000 0.985 308 V HN 0.686 nan 8.190 nan 0.000 0.438 309 V N 6.412 126.318 119.914 -0.013 0.000 2.444 309 V HA 0.498 4.619 4.120 0.001 0.000 0.294 309 V C -0.690 175.352 176.094 -0.086 0.000 1.022 309 V CA -0.554 61.709 62.300 -0.062 0.000 0.850 309 V CB 1.587 33.245 31.823 -0.274 0.000 0.992 309 V HN 0.586 nan 8.190 nan 0.000 0.426 310 L N 4.687 125.885 121.223 -0.042 0.000 2.296 310 L HA 0.938 5.279 4.340 0.001 0.000 0.286 310 L C 0.219 177.076 176.870 -0.023 0.000 1.023 310 L CA 0.157 54.973 54.840 -0.040 0.000 0.812 310 L CB 1.541 43.587 42.059 -0.022 0.000 1.223 310 L HN 0.870 nan 8.230 nan 0.000 0.421 311 A N 1.799 124.611 122.820 -0.015 0.000 2.610 311 A HA 0.893 5.213 4.320 0.001 0.000 0.291 311 A C -0.517 177.090 177.584 0.038 0.000 1.086 311 A CA -0.089 51.974 52.037 0.043 0.000 0.677 311 A CB 1.101 20.182 19.000 0.135 0.000 1.278 311 A HN 0.706 nan 8.150 nan 0.000 0.414 312 G N -0.397 108.441 108.800 0.063 0.000 2.552 312 G HA2 0.564 4.525 3.960 0.001 0.000 0.324 312 G HA3 0.564 4.525 3.960 0.001 0.000 0.324 312 G C 0.198 175.152 174.900 0.090 0.000 1.217 312 G CA 0.305 45.444 45.100 0.065 0.000 0.989 312 G HN 1.508 nan 8.290 nan 0.000 0.490 313 S N -1.229 114.529 115.700 0.096 0.000 2.572 313 S HA 0.335 4.806 4.470 0.001 0.000 0.279 313 S C 1.796 176.438 174.600 0.071 0.000 1.341 313 S CA 0.363 58.627 58.200 0.108 0.000 1.043 313 S CB 0.831 64.107 63.200 0.127 0.000 0.887 313 S HN 1.026 nan 8.310 nan 0.000 0.516 314 G N 3.204 112.036 108.800 0.052 0.000 2.470 314 G HA2 -0.081 3.880 3.960 0.001 0.000 0.220 314 G HA3 -0.081 3.880 3.960 0.001 0.000 0.220 314 G C 0.922 175.799 174.900 -0.039 0.000 1.121 314 G CA 0.516 45.471 45.100 -0.241 0.000 0.766 314 G HN 0.731 nan 8.290 nan 0.000 0.553 315 M N 0.089 119.789 119.600 0.167 0.000 2.484 315 M HA 0.389 4.870 4.480 0.001 0.000 0.307 315 M C 0.403 176.777 176.300 0.123 0.000 1.149 315 M CA -0.142 55.262 55.300 0.173 0.000 0.972 315 M CB 0.543 33.286 32.600 0.238 0.000 1.400 315 M HN 0.019 nan 8.290 nan 0.000 0.508 316 L N -0.727 120.567 121.223 0.118 0.000 4.179 316 L HA -0.299 4.041 4.340 0.001 0.000 0.418 316 L C 1.365 178.284 176.870 0.081 0.000 1.168 316 L CA 0.301 55.202 54.840 0.101 0.000 0.972 316 L CB -2.218 39.907 42.059 0.110 0.000 2.005 316 L HN 0.507 nan 8.230 nan 0.000 0.935 317 A N -0.152 122.724 122.820 0.094 0.000 2.239 317 A HA 0.467 4.788 4.320 0.001 0.000 0.209 317 A C 1.401 179.027 177.584 0.071 0.000 1.171 317 A CA 1.524 53.611 52.037 0.083 0.000 0.768 317 A CB -0.154 18.907 19.000 0.102 0.000 0.790 317 A HN 1.277 nan 8.150 nan 0.000 0.478 318 G N -3.427 105.416 108.800 0.071 0.000 2.325 318 G HA2 0.542 4.502 3.960 0.001 0.000 0.285 318 G HA3 0.542 4.502 3.960 0.001 0.000 0.285 318 G C 0.327 175.278 174.900 0.086 0.000 1.303 318 G CA 0.092 45.231 45.100 0.065 0.000 0.970 318 G HN 2.309 nan 8.290 nan 0.000 0.490 319 G N -1.401 107.459 108.800 0.100 0.000 2.712 319 G HA2 0.137 4.098 3.960 0.001 0.000 0.683 319 G HA3 0.137 4.098 3.960 0.001 0.000 0.683 319 G C 0.732 175.724 174.900 0.153 0.000 1.320 319 G CA 0.661 45.828 45.100 0.112 0.000 0.847 319 G HN 1.356 nan 8.290 nan 0.000 0.553 320 R N -0.429 120.142 120.500 0.118 0.000 2.154 320 R HA -0.163 4.178 4.340 0.001 0.000 0.248 320 R C 2.643 179.008 176.300 0.108 0.000 1.155 320 R CA 1.754 57.898 56.100 0.073 0.000 0.979 320 R CB -0.302 30.024 30.300 0.042 0.000 0.869 320 R HN 0.570 nan 8.270 nan 0.000 0.452 321 I N 1.274 121.962 120.570 0.195 0.000 2.335 321 I HA -0.250 3.920 4.170 0.001 0.000 0.251 321 I C 1.809 178.014 176.117 0.148 0.000 1.129 321 I CA 1.457 62.899 61.300 0.237 0.000 1.402 321 I CB -0.074 38.009 38.000 0.138 0.000 1.069 321 I HN 0.128 nan 8.210 nan 0.000 0.424 322 L N -0.545 120.730 121.223 0.086 0.000 2.083 322 L HA -0.238 4.103 4.340 0.001 0.000 0.209 322 L C 2.568 179.392 176.870 -0.077 0.000 1.083 322 L CA 1.351 56.182 54.840 -0.014 0.000 0.752 322 L CB -1.152 40.857 42.059 -0.084 0.000 0.899 322 L HN 0.381 nan 8.230 nan 0.000 0.433 323 H N -1.229 117.798 119.070 -0.073 0.000 2.423 323 H HA -0.105 4.451 4.556 0.001 0.000 0.297 323 H C 2.258 177.577 175.328 -0.014 0.000 1.075 323 H CA 1.223 57.232 56.048 -0.065 0.000 1.342 323 H CB 0.037 29.717 29.762 -0.136 0.000 1.395 323 H HN 0.465 nan 8.280 nan 0.000 0.530 324 H N 0.131 119.310 119.070 0.182 0.000 2.357 324 H HA -0.081 4.476 4.556 0.001 0.000 0.301 324 H C 2.399 177.766 175.328 0.065 0.000 1.082 324 H CA 0.484 56.598 56.048 0.110 0.000 1.342 324 H CB -0.114 29.678 29.762 0.050 0.000 1.389 324 H HN 0.165 nan 8.280 nan 0.000 0.511 325 L N 1.369 122.674 121.223 0.137 0.000 2.017 325 L HA -0.143 4.198 4.340 0.001 0.000 0.208 325 L C 2.594 179.453 176.870 -0.018 0.000 1.073 325 L CA 1.535 56.403 54.840 0.046 0.000 0.745 325 L CB -0.745 41.328 42.059 0.023 0.000 0.894 325 L HN 0.134 nan 8.230 nan 0.000 0.432 326 K N -1.292 119.052 120.400 -0.094 0.000 2.074 326 K HA -0.208 4.113 4.320 0.001 0.000 0.209 326 K C 1.452 177.847 176.600 -0.343 0.000 1.048 326 K CA 1.551 57.681 56.287 -0.262 0.000 0.926 326 K CB -0.065 32.185 32.500 -0.417 0.000 0.713 326 K HN 0.483 nan 8.250 nan 0.000 0.444 327 H N -2.382 116.699 119.070 0.018 0.000 2.520 327 H HA 0.169 4.726 4.556 0.001 0.000 0.284 327 H C 1.081 176.427 175.328 0.029 0.000 1.037 327 H CA 0.713 56.775 56.048 0.023 0.000 1.168 327 H CB 1.291 31.071 29.762 0.029 0.000 1.497 327 H HN 0.417 nan 8.280 nan 0.000 0.547 328 G N -0.120 108.739 108.800 0.097 0.000 2.989 328 G HA2 -0.002 3.959 3.960 0.001 0.000 0.221 328 G HA3 -0.002 3.959 3.960 0.001 0.000 0.221 328 G C 1.111 176.029 174.900 0.031 0.000 1.050 328 G CA -0.120 45.022 45.100 0.070 0.000 0.913 328 G HN 0.077 nan 8.290 nan 0.000 0.587 329 L N 1.507 122.739 121.223 0.015 0.000 2.478 329 L HA 0.240 4.581 4.340 0.001 0.000 0.223 329 L C 2.346 179.218 176.870 0.003 0.000 1.140 329 L CA 1.104 55.946 54.840 0.003 0.000 0.842 329 L CB -0.028 42.029 42.059 -0.004 0.000 0.953 329 L HN 0.116 nan 8.230 nan 0.000 0.452 330 S N -1.725 113.978 115.700 0.005 0.000 2.528 330 S HA 0.021 4.491 4.470 0.001 0.000 0.219 330 S C 0.609 175.214 174.600 0.010 0.000 0.985 330 S CA -0.106 58.097 58.200 0.005 0.000 0.914 330 S CB -0.011 63.191 63.200 0.003 0.000 0.776 330 S HN 0.347 nan 8.310 nan 0.000 0.526 331 D N 2.181 122.590 120.400 0.014 0.000 2.317 331 D HA 0.194 4.834 4.640 0.001 0.000 0.234 331 D C -1.681 174.625 176.300 0.011 0.000 1.112 331 D CA -2.294 51.714 54.000 0.014 0.000 0.840 331 D CB 1.623 42.433 40.800 0.017 0.000 1.078 331 D HN 0.015 nan 8.370 nan 0.000 0.486 332 P HA -0.102 nan 4.420 nan 0.000 0.228 332 P C 1.017 178.324 177.300 0.012 0.000 1.151 332 P CA 0.567 63.672 63.100 0.009 0.000 0.770 332 P CB 0.476 32.180 31.700 0.007 0.000 0.786 333 R N -1.008 119.497 120.500 0.009 0.000 2.153 333 R HA 0.050 4.390 4.340 0.001 0.000 0.218 333 R C 0.792 177.096 176.300 0.006 0.000 1.072 333 R CA 0.328 56.431 56.100 0.006 0.000 0.990 333 R CB -0.217 30.085 30.300 0.003 0.000 0.889 333 R HN 0.293 nan 8.270 nan 0.000 0.452 334 N N 0.468 119.173 118.700 0.009 0.000 2.445 334 N HA 0.281 5.022 4.740 0.001 0.000 0.264 334 N C -0.748 174.773 175.510 0.020 0.000 1.227 334 N CA 0.088 53.142 53.050 0.006 0.000 0.963 334 N CB 1.162 39.653 38.487 0.006 0.000 1.188 334 N HN 0.057 nan 8.380 nan 0.000 0.491 335 A N 0.608 123.436 122.820 0.015 0.000 2.398 335 A HA 0.493 4.814 4.320 0.001 0.000 0.301 335 A C -1.014 176.581 177.584 0.018 0.000 1.041 335 A CA -0.656 51.418 52.037 0.061 0.000 0.711 335 A CB 0.975 20.011 19.000 0.059 0.000 1.240 335 A HN 0.591 nan 8.150 nan 0.000 0.420 336 L N 3.454 124.689 121.223 0.020 0.000 2.272 336 L HA 0.650 4.990 4.340 0.001 0.000 0.289 336 L C -1.306 175.492 176.870 -0.120 0.000 1.032 336 L CA -0.615 54.143 54.840 -0.136 0.000 0.810 336 L CB 1.361 43.289 42.059 -0.218 0.000 1.205 336 L HN 0.481 nan 8.230 nan 0.000 0.422 337 V N 5.328 125.128 119.914 -0.189 0.000 2.376 337 V HA 0.327 4.448 4.120 0.001 0.000 0.287 337 V C -0.413 175.586 176.094 -0.159 0.000 1.015 337 V CA -0.527 61.740 62.300 -0.054 0.000 0.834 337 V CB 1.341 33.219 31.823 0.092 0.000 1.001 337 V HN 0.442 nan 8.190 nan 0.000 0.428 338 F N 4.095 124.112 119.950 0.112 0.000 2.410 338 F HA 0.409 4.937 4.527 0.001 0.000 0.348 338 F C 0.970 176.816 175.800 0.078 0.000 1.106 338 F CA -0.349 57.687 58.000 0.060 0.000 1.163 338 F CB 1.692 40.732 39.000 0.067 0.000 1.129 338 F HN 0.396 nan 8.300 nan 0.000 0.516 339 V N 0.184 120.198 119.914 0.167 0.000 3.346 339 V HA 0.661 4.782 4.120 0.001 0.000 0.309 339 V C 0.379 176.573 176.094 0.168 0.000 1.457 339 V CA 0.244 62.599 62.300 0.091 0.000 1.069 339 V CB 0.028 31.656 31.823 -0.325 0.000 0.944 339 V HN 0.739 nan 8.190 nan 0.000 0.449 340 G N -0.717 108.203 108.800 0.200 0.000 2.733 340 G HA2 0.517 4.478 3.960 0.001 0.000 0.288 340 G HA3 0.517 4.478 3.960 0.001 0.000 0.288 340 G C -1.761 173.375 174.900 0.393 0.000 1.373 340 G CA -1.084 44.213 45.100 0.328 0.000 0.895 340 G HN 0.284 nan 8.290 nan 0.000 0.479 341 Y N 0.886 121.433 120.300 0.412 0.000 2.425 341 Y HA 0.448 4.999 4.550 0.001 0.000 0.331 341 Y C -0.042 175.977 175.900 0.199 0.000 1.157 341 Y CA -0.145 58.131 58.100 0.292 0.000 1.372 341 Y CB 0.972 39.623 38.460 0.318 0.000 1.253 341 Y HN 0.225 nan 8.280 nan 0.000 0.536 342 Q N 8.651 128.073 119.800 -0.630 0.000 2.325 342 Q HA 0.339 4.679 4.340 0.001 0.000 0.262 342 Q C -2.410 172.993 176.000 -0.996 0.000 0.968 342 Q CA -2.275 53.163 55.803 -0.608 0.000 0.877 342 Q CB 1.420 29.814 28.738 -0.573 0.000 1.253 342 Q HN 0.591 nan 8.270 nan 0.000 0.448 343 P HA -0.023 nan 4.420 nan 0.000 0.270 343 P C -0.173 176.994 177.300 -0.221 0.000 1.223 343 P CA -0.305 62.606 63.100 -0.315 0.000 0.785 343 P CB 0.862 32.578 31.700 0.026 0.000 0.923 344 Q N 0.177 119.928 119.800 -0.082 0.000 2.352 344 Q HA 0.308 4.648 4.340 0.001 0.000 0.260 344 Q C 1.439 177.415 176.000 -0.039 0.000 0.976 344 Q CA 1.210 56.978 55.803 -0.059 0.000 0.881 344 Q CB 0.144 28.879 28.738 -0.005 0.000 1.235 344 Q HN 0.879 nan 8.270 nan 0.000 0.419 345 G N 1.910 110.683 108.800 -0.044 0.000 2.148 345 G HA2 -0.232 3.729 3.960 0.001 0.000 0.254 345 G HA3 -0.232 3.729 3.960 0.001 0.000 0.254 345 G C 0.449 175.333 174.900 -0.027 0.000 0.981 345 G CA 0.259 45.342 45.100 -0.028 0.000 0.670 345 G HN 0.845 nan 8.290 nan 0.000 0.528 346 G N -1.526 107.247 108.800 -0.044 0.000 2.613 346 G HA2 0.637 4.598 3.960 0.001 0.000 0.303 346 G HA3 0.637 4.598 3.960 0.001 0.000 0.303 346 G C 1.037 175.919 174.900 -0.030 0.000 1.312 346 G CA -0.009 45.072 45.100 -0.031 0.000 1.036 346 G HN 0.787 nan 8.290 nan 0.000 0.513 347 L N 0.597 121.816 121.223 -0.007 0.000 2.083 347 L HA 0.074 4.415 4.340 0.001 0.000 0.209 347 L C 2.674 179.553 176.870 0.014 0.000 1.083 347 L CA 2.828 57.674 54.840 0.010 0.000 0.752 347 L CB -0.915 41.163 42.059 0.031 0.000 0.899 347 L HN 0.587 nan 8.230 nan 0.000 0.433 348 G N -1.065 107.725 108.800 -0.016 0.000 2.421 348 G HA2 -0.259 3.702 3.960 0.001 0.000 0.216 348 G HA3 -0.259 3.702 3.960 0.001 0.000 0.216 348 G C 1.605 176.388 174.900 -0.195 0.000 1.171 348 G CA 0.852 45.887 45.100 -0.109 0.000 0.775 348 G HN 0.634 nan 8.290 nan 0.000 0.543 349 A N 0.618 123.329 122.820 -0.181 0.000 1.902 349 A HA -0.029 4.291 4.320 0.001 0.000 0.217 349 A C 2.149 179.688 177.584 -0.074 0.000 1.181 349 A CA 2.043 53.992 52.037 -0.148 0.000 0.623 349 A CB -0.474 18.451 19.000 -0.125 0.000 0.818 349 A HN 0.505 nan 8.150 nan 0.000 0.443 350 E N -0.078 120.096 120.200 -0.044 0.000 2.038 350 E HA -0.193 4.158 4.350 0.001 0.000 0.195 350 E C 1.895 178.496 176.600 0.002 0.000 1.000 350 E CA 1.462 57.852 56.400 -0.017 0.000 0.803 350 E CB -0.253 29.442 29.700 -0.008 0.000 0.750 350 E HN 0.648 nan 8.360 nan 0.000 0.448 351 I N 0.872 121.459 120.570 0.027 0.000 2.208 351 I HA -0.294 3.876 4.170 0.001 0.000 0.245 351 I C 2.422 178.580 176.117 0.068 0.000 1.097 351 I CA 1.041 62.384 61.300 0.072 0.000 1.363 351 I CB -0.214 37.888 38.000 0.170 0.000 1.051 351 I HN 0.247 nan 8.210 nan 0.000 0.413 352 I N 0.745 121.336 120.570 0.035 0.000 2.361 352 I HA -0.245 3.926 4.170 0.001 0.000 0.251 352 I C 2.628 178.747 176.117 0.005 0.000 1.133 352 I CA 1.064 62.375 61.300 0.019 0.000 1.413 352 I CB -0.398 37.562 38.000 -0.068 0.000 1.073 352 I HN 0.170 nan 8.210 nan 0.000 0.424 353 A N 0.367 123.183 122.820 -0.007 0.000 2.178 353 A HA -0.165 4.156 4.320 0.001 0.000 0.218 353 A C 1.444 179.029 177.584 0.002 0.000 1.157 353 A CA 0.616 52.649 52.037 -0.005 0.000 0.689 353 A CB -0.362 18.632 19.000 -0.009 0.000 0.787 353 A HN 0.475 nan 8.150 nan 0.000 0.465 354 R N -1.450 119.055 120.500 0.008 0.000 3.261 354 R HA -0.105 4.235 4.340 0.001 0.000 0.257 354 R C -2.357 173.945 176.300 0.003 0.000 1.014 354 R CA 0.703 56.807 56.100 0.007 0.000 0.681 354 R CB -2.371 27.930 30.300 0.002 0.000 1.155 354 R HN 0.509 nan 8.270 nan 0.000 0.424 355 P HA 0.189 nan 4.420 nan 0.000 0.274 355 P C -1.830 175.470 177.300 0.000 0.000 1.256 355 P CA -1.066 62.034 63.100 0.001 0.000 0.795 355 P CB 0.635 32.334 31.700 -0.001 0.000 1.038 356 P HA -0.025 nan 4.420 nan 0.000 0.220 356 P C 0.328 177.626 177.300 -0.003 0.000 1.148 356 P CA 1.379 64.478 63.100 -0.002 0.000 0.803 356 P CB 0.196 31.895 31.700 -0.003 0.000 0.782 357 A N -1.622 121.196 122.820 -0.004 0.000 2.602 357 A HA 0.656 4.976 4.320 0.001 0.000 0.290 357 A C -1.613 175.966 177.584 -0.007 0.000 1.114 357 A CA -0.538 51.494 52.037 -0.007 0.000 0.683 357 A CB 1.876 20.869 19.000 -0.010 0.000 1.281 357 A HN -0.086 nan 8.150 nan 0.000 0.416 358 V N 0.216 120.123 119.914 -0.012 0.000 3.049 358 V HA 0.677 4.797 4.120 0.001 0.000 0.309 358 V C -0.594 175.486 176.094 -0.023 0.000 1.148 358 V CA -0.762 61.531 62.300 -0.012 0.000 0.990 358 V CB 2.046 33.867 31.823 -0.003 0.000 1.039 358 V HN 1.040 nan 8.190 nan 0.000 0.430 359 R N 5.057 125.543 120.500 -0.024 0.000 2.229 359 R HA 0.695 5.036 4.340 0.001 0.000 0.328 359 R C -1.445 174.829 176.300 -0.043 0.000 1.009 359 R CA -0.317 55.762 56.100 -0.034 0.000 0.864 359 R CB 0.744 31.027 30.300 -0.028 0.000 1.085 359 R HN 0.705 nan 8.270 nan 0.000 0.453 360 I N 6.093 126.624 120.570 -0.065 0.000 2.512 360 I HA 0.178 4.349 4.170 0.001 0.000 0.287 360 I C -0.036 176.010 176.117 -0.118 0.000 1.069 360 I CA -0.909 60.339 61.300 -0.087 0.000 1.056 360 I CB 1.963 39.904 38.000 -0.098 0.000 1.229 360 I HN 0.727 nan 8.210 nan 0.000 0.429 361 L N 6.715 127.866 121.223 -0.119 0.000 3.713 361 L HA -0.255 4.085 4.340 0.001 0.000 0.499 361 L C 1.206 178.024 176.870 -0.087 0.000 1.281 361 L CA 0.772 55.534 54.840 -0.130 0.000 0.796 361 L CB -1.527 40.398 42.059 -0.223 0.000 1.535 361 L HN 1.182 nan 8.230 nan 0.000 0.851 362 G N -0.557 108.207 108.800 -0.060 0.000 2.180 362 G HA2 -0.304 3.657 3.960 0.001 0.000 0.263 362 G HA3 -0.304 3.657 3.960 0.001 0.000 0.263 362 G C 0.083 174.958 174.900 -0.041 0.000 0.989 362 G CA 1.039 46.114 45.100 -0.041 0.000 0.692 362 G HN 0.591 nan 8.290 nan 0.000 0.526 363 E N -0.781 119.386 120.200 -0.056 0.000 2.367 363 E HA 0.584 4.935 4.350 0.001 0.000 0.273 363 E C -0.430 176.137 176.600 -0.054 0.000 0.903 363 E CA -0.867 55.502 56.400 -0.052 0.000 0.764 363 E CB 1.165 30.827 29.700 -0.064 0.000 1.252 363 E HN 0.227 nan 8.360 nan 0.000 0.446 364 E N 1.292 121.467 120.200 -0.041 0.000 2.257 364 E HA 0.329 4.679 4.350 0.001 0.000 0.278 364 E C -1.327 175.247 176.600 -0.043 0.000 1.049 364 E CA -0.240 56.139 56.400 -0.035 0.000 0.876 364 E CB 0.688 30.373 29.700 -0.024 0.000 1.035 364 E HN 0.177 nan 8.360 nan 0.000 0.419 365 V N 8.121 128.009 119.914 -0.043 0.000 2.326 365 V HA 0.327 4.448 4.120 0.001 0.000 0.281 365 V C -2.220 173.858 176.094 -0.027 0.000 1.015 365 V CA -2.047 60.225 62.300 -0.046 0.000 0.823 365 V CB 1.383 33.169 31.823 -0.061 0.000 1.009 365 V HN 0.782 nan 8.190 nan 0.000 0.436 366 P HA 0.102 nan 4.420 nan 0.000 0.267 366 P C -0.531 176.764 177.300 -0.008 0.000 1.209 366 P CA -0.252 62.841 63.100 -0.011 0.000 0.763 366 P CB 0.560 32.255 31.700 -0.008 0.000 0.816 367 L N 5.473 126.693 121.223 -0.005 0.000 2.282 367 L HA 0.232 4.573 4.340 0.001 0.000 0.287 367 L C 0.865 177.735 176.870 -0.001 0.000 1.075 367 L CA 0.620 55.459 54.840 -0.001 0.000 0.839 367 L CB -0.426 41.636 42.059 0.004 0.000 1.219 367 L HN 0.308 nan 8.230 nan 0.000 0.434 368 R N 3.275 123.775 120.500 -0.000 0.000 2.310 368 R HA 0.414 4.755 4.340 0.001 0.000 0.199 368 R C 0.625 176.925 176.300 0.000 0.000 0.891 368 R CA 0.242 56.342 56.100 0.000 0.000 1.060 368 R CB 0.193 30.495 30.300 0.002 0.000 1.188 368 R HN 0.648 nan 8.270 nan 0.000 0.607 369 A N 2.133 124.955 122.820 0.002 0.000 2.507 369 A HA 0.158 4.479 4.320 0.001 0.000 0.235 369 A C 0.527 178.108 177.584 -0.004 0.000 1.070 369 A CA -0.050 51.991 52.037 0.005 0.000 0.768 369 A CB 0.219 19.223 19.000 0.006 0.000 1.011 369 A HN 0.359 nan 8.150 nan 0.000 0.502 370 S N 0.447 116.153 115.700 0.010 0.000 2.572 370 S HA 0.448 4.919 4.470 0.001 0.000 0.279 370 S C -0.161 174.372 174.600 -0.112 0.000 1.341 370 S CA -0.570 57.604 58.200 -0.044 0.000 1.043 370 S CB 0.752 64.004 63.200 0.087 0.000 0.887 370 S HN 0.833 nan 8.310 nan 0.000 0.516 371 V N 3.997 123.735 119.914 -0.294 0.000 2.604 371 V HA 0.506 4.627 4.120 0.001 0.000 0.305 371 V C -0.460 175.374 176.094 -0.433 0.000 1.043 371 V CA -0.642 61.545 62.300 -0.188 0.000 0.888 371 V CB 1.431 33.251 31.823 -0.006 0.000 0.995 371 V HN 0.974 nan 8.190 nan 0.000 0.429 372 H N 1.679 120.827 119.070 0.130 0.000 2.771 372 H HA 0.440 4.997 4.556 0.001 0.000 0.361 372 H C -0.969 174.535 175.328 0.293 0.000 1.108 372 H CA -0.510 55.639 56.048 0.168 0.000 1.201 372 H CB 2.469 32.305 29.762 0.123 0.000 1.681 372 H HN 0.496 nan 8.280 nan 0.000 0.534 373 T N 4.219 118.993 114.554 0.367 0.000 2.772 373 T HA 0.345 4.695 4.350 0.001 0.000 0.288 373 T C 0.424 175.299 174.700 0.291 0.000 0.994 373 T CA -0.622 61.688 62.100 0.350 0.000 0.951 373 T CB 0.271 69.264 68.868 0.209 0.000 0.933 373 T HN 0.310 nan 8.240 nan 0.000 0.447 374 L N 3.494 124.910 121.223 0.320 0.000 2.506 374 L HA 0.370 4.711 4.340 0.001 0.000 0.247 374 L C 1.737 178.770 176.870 0.272 0.000 1.141 374 L CA -0.720 54.290 54.840 0.283 0.000 0.973 374 L CB 0.709 42.987 42.059 0.366 0.000 1.319 374 L HN 0.837 nan 8.230 nan 0.000 0.455 375 G N 0.822 109.752 108.800 0.217 0.000 2.498 375 G HA2 -0.191 3.770 3.960 0.001 0.000 0.219 375 G HA3 -0.191 3.770 3.960 0.001 0.000 0.219 375 G C 1.428 176.376 174.900 0.079 0.000 1.119 375 G CA 0.779 45.999 45.100 0.201 0.000 0.766 375 G HN 0.702 nan 8.290 nan 0.000 0.552 376 G N 0.309 109.134 108.800 0.042 0.000 2.499 376 G HA2 -0.171 3.789 3.960 0.001 0.000 0.221 376 G HA3 -0.171 3.789 3.960 0.001 0.000 0.221 376 G C 1.289 176.130 174.900 -0.097 0.000 1.109 376 G CA 0.274 45.335 45.100 -0.064 0.000 0.749 376 G HN 0.447 nan 8.290 nan 0.000 0.568 377 F N 1.027 121.010 119.950 0.055 0.000 2.811 377 F HA 0.267 4.795 4.527 0.001 0.000 0.301 377 F C 1.844 177.638 175.800 -0.011 0.000 1.151 377 F CA -0.120 57.926 58.000 0.078 0.000 1.412 377 F CB 0.216 39.241 39.000 0.042 0.000 1.113 377 F HN -0.006 nan 8.300 nan 0.000 0.579 378 S N 0.558 116.246 115.700 -0.019 0.000 2.573 378 S HA 0.038 4.508 4.470 0.001 0.000 0.297 378 S C 1.356 175.881 174.600 -0.125 0.000 1.280 378 S CA 0.254 58.355 58.200 -0.165 0.000 1.061 378 S CB 0.631 63.322 63.200 -0.849 0.000 0.812 378 S HN 0.426 nan 8.310 nan 0.000 0.500 379 G N 4.232 113.036 108.800 0.006 0.000 3.314 379 G HA2 0.173 4.133 3.960 0.001 0.000 0.238 379 G HA3 0.173 4.133 3.960 0.001 0.000 0.238 379 G C 0.222 175.094 174.900 -0.046 0.000 1.184 379 G CA -0.164 44.895 45.100 -0.069 0.000 0.806 379 G HN 0.793 nan 8.290 nan 0.000 0.536 380 H N -0.251 118.852 119.070 0.054 0.000 2.622 380 H HA 0.534 5.091 4.556 0.001 0.000 0.363 380 H C -0.088 175.316 175.328 0.127 0.000 1.151 380 H CA -0.627 55.489 56.048 0.113 0.000 1.184 380 H CB 2.113 32.016 29.762 0.236 0.000 1.643 380 H HN 0.140 nan 8.280 nan 0.000 0.531 381 A N 1.994 124.929 122.820 0.192 0.000 2.520 381 A HA 0.370 4.691 4.320 0.001 0.000 0.245 381 A C 1.000 178.616 177.584 0.053 0.000 1.072 381 A CA 0.445 52.536 52.037 0.091 0.000 0.761 381 A CB -0.119 18.869 19.000 -0.020 0.000 1.004 381 A HN 0.753 nan 8.150 nan 0.000 0.499 382 G N 0.092 108.805 108.800 -0.146 0.000 2.616 382 G HA2 0.314 4.275 3.960 0.001 0.000 0.268 382 G HA3 0.314 4.275 3.960 0.001 0.000 0.268 382 G C 0.738 175.553 174.900 -0.142 0.000 1.213 382 G CA 0.335 45.143 45.100 -0.487 0.000 0.926 382 G HN 0.956 nan 8.290 nan 0.000 0.523 383 Q N -0.409 119.333 119.800 -0.096 0.000 2.062 383 Q HA -0.255 4.086 4.340 0.001 0.000 0.209 383 Q C 2.080 178.077 176.000 -0.005 0.000 0.996 383 Q CA 2.601 58.395 55.803 -0.015 0.000 0.859 383 Q CB -0.271 28.466 28.738 -0.001 0.000 0.920 383 Q HN 0.718 nan 8.270 nan 0.000 0.415 384 D N -0.122 120.266 120.400 -0.019 0.000 2.158 384 D HA -0.235 4.406 4.640 0.001 0.000 0.197 384 D C 1.356 177.670 176.300 0.023 0.000 0.995 384 D CA 1.920 55.922 54.000 0.004 0.000 0.846 384 D CB -0.544 40.256 40.800 0.000 0.000 0.941 384 D HN 0.560 nan 8.370 nan 0.000 0.456 385 E N -0.425 119.784 120.200 0.015 0.000 2.158 385 E HA -0.030 4.321 4.350 0.001 0.000 0.191 385 E C 2.118 178.764 176.600 0.077 0.000 0.982 385 E CA 0.026 56.452 56.400 0.044 0.000 0.823 385 E CB 0.092 29.807 29.700 0.024 0.000 0.766 385 E HN 0.156 nan 8.360 nan 0.000 0.468 386 L N 0.663 121.918 121.223 0.054 0.000 2.083 386 L HA -0.144 4.197 4.340 0.001 0.000 0.209 386 L C 2.246 179.195 176.870 0.132 0.000 1.083 386 L CA 1.473 56.364 54.840 0.086 0.000 0.752 386 L CB -1.026 41.066 42.059 0.056 0.000 0.899 386 L HN 0.231 nan 8.230 nan 0.000 0.433 387 L N -0.725 120.550 121.223 0.085 0.000 2.056 387 L HA -0.209 4.132 4.340 0.001 0.000 0.207 387 L C 2.269 179.185 176.870 0.076 0.000 1.078 387 L CA 1.035 55.917 54.840 0.070 0.000 0.749 387 L CB -0.551 41.534 42.059 0.043 0.000 0.901 387 L HN 0.231 nan 8.230 nan 0.000 0.433 388 D N -0.850 119.601 120.400 0.085 0.000 2.144 388 D HA -0.234 4.407 4.640 0.001 0.000 0.199 388 D C 1.810 178.173 176.300 0.106 0.000 0.984 388 D CA 1.158 55.205 54.000 0.078 0.000 0.834 388 D CB -0.184 40.664 40.800 0.080 0.000 0.955 388 D HN 0.396 nan 8.370 nan 0.000 0.465 389 W N 0.821 122.095 121.300 -0.043 0.000 2.467 389 W HA 0.066 4.727 4.660 0.001 0.000 0.275 389 W C 1.686 178.156 176.519 -0.081 0.000 1.239 389 W CA 0.648 57.949 57.345 -0.072 0.000 1.266 389 W CB -0.018 29.387 29.460 -0.091 0.000 1.112 389 W HN -0.099 nan 8.180 nan 0.000 0.576 390 L N 0.603 121.895 121.223 0.114 0.000 2.592 390 L HA 0.061 4.402 4.340 0.001 0.000 0.227 390 L C 1.451 178.284 176.870 -0.062 0.000 1.127 390 L CA -0.088 54.754 54.840 0.003 0.000 0.884 390 L CB -0.738 41.377 42.059 0.094 0.000 1.065 390 L HN -0.243 nan 8.230 nan 0.000 0.457 391 Q N 1.437 121.206 119.800 -0.053 0.000 2.398 391 Q HA -0.090 4.251 4.340 0.001 0.000 0.329 391 Q C 1.226 177.177 176.000 -0.081 0.000 1.079 391 Q CA 1.456 57.227 55.803 -0.052 0.000 1.041 391 Q CB 0.497 29.210 28.738 -0.043 0.000 1.084 391 Q HN 0.496 nan 8.270 nan 0.000 0.386 392 G N 4.004 112.771 108.800 -0.056 0.000 2.184 392 G HA2 -0.227 3.733 3.960 0.001 0.000 0.264 392 G HA3 -0.227 3.733 3.960 0.001 0.000 0.264 392 G C -0.206 174.656 174.900 -0.065 0.000 0.975 392 G CA 0.400 45.465 45.100 -0.058 0.000 0.642 392 G HN 0.609 nan 8.290 nan 0.000 0.536 393 E N 0.953 121.109 120.200 -0.074 0.000 2.223 393 E HA 0.246 4.596 4.350 0.001 0.000 0.282 393 E C -1.016 175.561 176.600 -0.039 0.000 1.046 393 E CA -1.468 54.890 56.400 -0.070 0.000 0.857 393 E CB 1.626 31.273 29.700 -0.087 0.000 1.055 393 E HN 0.285 nan 8.360 nan 0.000 0.409 394 P HA -0.092 nan 4.420 nan 0.000 0.223 394 P C -0.179 177.113 177.300 -0.013 0.000 1.151 394 P CA 0.887 63.975 63.100 -0.020 0.000 0.787 394 P CB 0.698 32.386 31.700 -0.019 0.000 0.788 395 R N -0.655 119.838 120.500 -0.012 0.000 2.522 395 R HA 0.573 4.914 4.340 0.001 0.000 0.283 395 R C -1.451 174.849 176.300 0.000 0.000 1.074 395 R CA -0.648 55.448 56.100 -0.006 0.000 0.925 395 R CB 2.744 33.040 30.300 -0.007 0.000 1.205 395 R HN -0.230 nan 8.270 nan 0.000 0.436 396 V N 3.092 123.010 119.914 0.006 0.000 2.709 396 V HA 0.477 4.598 4.120 0.001 0.000 0.308 396 V C -0.630 175.473 176.094 0.014 0.000 1.062 396 V CA -0.870 61.441 62.300 0.019 0.000 0.901 396 V CB 2.404 34.245 31.823 0.031 0.000 1.003 396 V HN 0.450 nan 8.190 nan 0.000 0.425 397 V N 5.768 125.690 119.914 0.013 0.000 2.378 397 V HA 0.462 4.582 4.120 0.001 0.000 0.288 397 V C -0.148 175.952 176.094 0.009 0.000 1.016 397 V CA -0.471 61.828 62.300 -0.002 0.000 0.840 397 V CB 1.574 33.379 31.823 -0.031 0.000 0.994 397 V HN 0.650 nan 8.190 nan 0.000 0.431 398 L N 6.160 127.394 121.223 0.019 0.000 2.371 398 L HA 0.755 5.095 4.340 0.001 0.000 0.272 398 L C 0.065 176.961 176.870 0.042 0.000 1.124 398 L CA -0.279 54.583 54.840 0.038 0.000 0.816 398 L CB 1.390 43.472 42.059 0.038 0.000 1.129 398 L HN 0.623 nan 8.230 nan 0.000 0.448 399 V N -1.488 118.473 119.914 0.080 0.000 3.181 399 V HA 0.453 4.573 4.120 0.001 0.000 0.307 399 V C -0.087 176.133 176.094 0.210 0.000 1.310 399 V CA -0.882 61.493 62.300 0.126 0.000 1.067 399 V CB 1.506 33.401 31.823 0.121 0.000 1.081 399 V HN 0.887 nan 8.190 nan 0.000 0.453 400 H N 0.012 119.140 119.070 0.097 0.000 2.680 400 H HA -0.068 4.489 4.556 0.001 0.000 0.328 400 H C -0.177 175.144 175.328 -0.010 0.000 1.139 400 H CA 1.410 57.499 56.048 0.068 0.000 1.124 400 H CB -0.970 28.865 29.762 0.121 0.000 1.584 400 H HN 2.038 nan 8.280 nan 0.000 0.410 401 G N 1.542 110.324 108.800 -0.029 0.000 2.519 401 G HA2 0.324 4.285 3.960 0.001 0.000 0.292 401 G HA3 0.324 4.285 3.960 0.001 0.000 0.292 401 G C -1.158 173.699 174.900 -0.072 0.000 1.507 401 G CA -0.704 44.353 45.100 -0.072 0.000 0.806 401 G HN 0.243 nan 8.290 nan 0.000 0.523 402 E N 0.415 120.555 120.200 -0.100 0.000 2.373 402 E HA 0.101 4.452 4.350 0.001 0.000 0.267 402 E C 0.981 177.559 176.600 -0.037 0.000 1.032 402 E CA -0.145 56.216 56.400 -0.065 0.000 0.889 402 E CB 1.976 31.632 29.700 -0.073 0.000 0.984 402 E HN 0.653 nan 8.360 nan 0.000 0.425 403 E N 2.820 123.008 120.200 -0.019 0.000 2.086 403 E HA -0.327 4.024 4.350 0.001 0.000 0.205 403 E C 1.313 177.908 176.600 -0.009 0.000 1.027 403 E CA 1.633 58.029 56.400 -0.008 0.000 0.830 403 E CB 0.171 29.869 29.700 -0.003 0.000 0.751 403 E HN 0.507 nan 8.360 nan 0.000 0.456 404 E N -0.002 120.191 120.200 -0.012 0.000 2.085 404 E HA -0.213 4.137 4.350 0.001 0.000 0.194 404 E C 2.100 178.693 176.600 -0.012 0.000 0.994 404 E CA 0.961 57.356 56.400 -0.008 0.000 0.801 404 E CB -0.051 29.645 29.700 -0.006 0.000 0.743 404 E HN 0.179 nan 8.360 nan 0.000 0.453 405 K N 0.615 120.998 120.400 -0.028 0.000 2.026 405 K HA -0.130 4.190 4.320 0.001 0.000 0.208 405 K C 2.263 178.854 176.600 -0.016 0.000 1.048 405 K CA 0.647 56.912 56.287 -0.036 0.000 0.929 405 K CB -0.642 31.807 32.500 -0.086 0.000 0.713 405 K HN 0.074 nan 8.250 nan 0.000 0.439 406 L N 1.194 122.410 121.223 -0.012 0.000 2.012 406 L HA -0.123 4.217 4.340 0.001 0.000 0.210 406 L C 2.411 179.287 176.870 0.009 0.000 1.073 406 L CA 1.379 56.221 54.840 0.004 0.000 0.748 406 L CB -0.845 41.220 42.059 0.010 0.000 0.891 406 L HN 0.087 nan 8.230 nan 0.000 0.431 407 L N -1.453 119.773 121.223 0.005 0.000 2.141 407 L HA -0.177 4.164 4.340 0.001 0.000 0.209 407 L C 2.599 179.474 176.870 0.009 0.000 1.094 407 L CA 1.006 55.851 54.840 0.007 0.000 0.763 407 L CB -0.733 41.329 42.059 0.005 0.000 0.908 407 L HN 0.269 nan 8.230 nan 0.000 0.437 408 A N -0.173 122.652 122.820 0.008 0.000 1.902 408 A HA -0.199 4.122 4.320 0.001 0.000 0.217 408 A C 2.292 179.884 177.584 0.014 0.000 1.181 408 A CA 1.445 53.489 52.037 0.011 0.000 0.623 408 A CB -0.583 18.423 19.000 0.010 0.000 0.818 408 A HN 0.374 nan 8.150 nan 0.000 0.443 409 L N -0.767 120.466 121.223 0.016 0.000 2.095 409 L HA -0.038 4.303 4.340 0.001 0.000 0.204 409 L C 2.514 179.397 176.870 0.021 0.000 1.080 409 L CA 1.645 56.498 54.840 0.022 0.000 0.759 409 L CB -1.029 41.046 42.059 0.027 0.000 0.914 409 L HN 0.451 nan 8.230 nan 0.000 0.439 410 G N 0.091 108.902 108.800 0.018 0.000 2.442 410 G HA2 -0.349 3.612 3.960 0.001 0.000 0.219 410 G HA3 -0.349 3.612 3.960 0.001 0.000 0.219 410 G C 1.658 176.566 174.900 0.014 0.000 1.141 410 G CA 1.030 46.140 45.100 0.016 0.000 0.763 410 G HN 0.369 nan 8.290 nan 0.000 0.554 411 K N 0.071 120.478 120.400 0.012 0.000 2.032 411 K HA -0.015 4.306 4.320 0.001 0.000 0.209 411 K C 2.494 179.101 176.600 0.011 0.000 1.048 411 K CA 1.152 57.446 56.287 0.011 0.000 0.927 411 K CB -0.324 32.182 32.500 0.010 0.000 0.712 411 K HN 0.346 nan 8.250 nan 0.000 0.441 412 L N 0.931 122.162 121.223 0.014 0.000 2.083 412 L HA -0.180 4.161 4.340 0.001 0.000 0.209 412 L C 2.440 179.318 176.870 0.014 0.000 1.083 412 L CA 0.897 55.746 54.840 0.014 0.000 0.752 412 L CB -0.367 41.703 42.059 0.017 0.000 0.899 412 L HN 0.241 nan 8.230 nan 0.000 0.433 413 L N -0.410 120.823 121.223 0.016 0.000 2.017 413 L HA -0.199 4.142 4.340 0.001 0.000 0.208 413 L C 2.907 179.783 176.870 0.009 0.000 1.073 413 L CA 1.250 56.099 54.840 0.015 0.000 0.745 413 L CB -0.747 41.323 42.059 0.018 0.000 0.894 413 L HN 0.241 nan 8.230 nan 0.000 0.432 414 A N -0.088 122.737 122.820 0.009 0.000 1.933 414 A HA -0.168 4.153 4.320 0.001 0.000 0.218 414 A C 2.206 179.793 177.584 0.005 0.000 1.175 414 A CA 1.440 53.481 52.037 0.006 0.000 0.628 414 A CB -0.701 18.303 19.000 0.006 0.000 0.814 414 A HN 0.387 nan 8.150 nan 0.000 0.444 415 L N -1.679 119.548 121.223 0.006 0.000 2.376 415 L HA 0.003 4.344 4.340 0.001 0.000 0.219 415 L C 2.546 179.419 176.870 0.005 0.000 1.133 415 L CA 0.696 55.540 54.840 0.006 0.000 0.816 415 L CB -0.191 41.872 42.059 0.007 0.000 0.933 415 L HN 0.343 nan 8.230 nan 0.000 0.449 416 R N -0.414 120.089 120.500 0.005 0.000 2.297 416 R HA 0.063 4.404 4.340 0.001 0.000 0.197 416 R C 1.234 177.534 176.300 0.000 0.000 0.943 416 R CA 0.680 56.782 56.100 0.003 0.000 1.038 416 R CB 0.317 30.620 30.300 0.005 0.000 0.957 416 R HN 0.338 nan 8.270 nan 0.000 0.484 417 G N 0.124 108.924 108.800 0.000 0.000 2.176 417 G HA2 -0.262 3.699 3.960 0.001 0.000 0.232 417 G HA3 -0.262 3.699 3.960 0.001 0.000 0.232 417 G C -0.273 174.625 174.900 -0.003 0.000 0.986 417 G CA -0.267 44.831 45.100 -0.002 0.000 0.643 417 G HN 0.365 nan 8.290 nan 0.000 0.522 418 Q N 0.537 120.336 119.800 -0.002 0.000 2.243 418 Q HA 0.498 4.838 4.340 0.001 0.000 0.252 418 Q C -0.223 175.777 176.000 0.000 0.000 0.909 418 Q CA -0.381 55.420 55.803 -0.002 0.000 0.922 418 Q CB 1.322 30.060 28.738 -0.001 0.000 1.215 418 Q HN 0.525 nan 8.270 nan 0.000 0.427 419 E N 1.357 121.556 120.200 -0.002 0.000 2.316 419 E HA 0.308 4.658 4.350 0.001 0.000 0.275 419 E C -1.066 175.535 176.600 0.001 0.000 1.029 419 E CA -0.209 56.191 56.400 -0.001 0.000 0.871 419 E CB 1.438 31.136 29.700 -0.004 0.000 1.022 419 E HN 0.196 nan 8.360 nan 0.000 0.418 420 V N 2.312 122.228 119.914 0.003 0.000 3.049 420 V HA 0.692 4.813 4.120 0.001 0.000 0.309 420 V C -1.207 174.889 176.094 0.004 0.000 1.148 420 V CA -0.262 62.041 62.300 0.006 0.000 0.990 420 V CB 2.342 34.172 31.823 0.011 0.000 1.039 420 V HN 0.852 nan 8.190 nan 0.000 0.430 421 S N 4.914 120.616 115.700 0.004 0.000 2.671 421 S HA 0.806 5.277 4.470 0.001 0.000 0.277 421 S C -1.770 172.832 174.600 0.005 0.000 1.165 421 S CA -0.826 57.375 58.200 0.002 0.000 0.822 421 S CB 1.699 64.897 63.200 -0.005 0.000 1.150 421 S HN 0.739 nan 8.310 nan 0.000 0.479 422 L N 2.057 123.283 121.223 0.006 0.000 2.276 422 L HA 0.727 5.068 4.340 0.001 0.000 0.286 422 L C 0.767 177.642 176.870 0.009 0.000 1.024 422 L CA -0.229 54.618 54.840 0.012 0.000 0.826 422 L CB 0.832 42.901 42.059 0.016 0.000 1.211 422 L HN 1.057 nan 8.230 nan 0.000 0.422 423 A N 4.928 127.749 122.820 0.003 0.000 2.613 423 A HA 0.219 4.540 4.320 0.001 0.000 0.230 423 A C 0.322 177.917 177.584 0.019 0.000 1.051 423 A CA 0.402 52.432 52.037 -0.011 0.000 0.754 423 A CB -0.002 18.983 19.000 -0.025 0.000 0.979 423 A HN 0.713 nan 8.150 nan 0.000 0.510 424 R N 0.618 121.122 120.500 0.007 0.000 2.534 424 R HA 0.360 4.700 4.340 0.001 0.000 0.301 424 R C -0.731 175.607 176.300 0.064 0.000 0.961 424 R CA -0.593 55.538 56.100 0.051 0.000 0.871 424 R CB 1.556 31.877 30.300 0.034 0.000 1.170 424 R HN 0.698 nan 8.270 nan 0.000 0.446 425 F N 2.011 121.958 119.950 -0.005 0.000 2.623 425 F HA 0.043 4.571 4.527 0.001 0.000 0.383 425 F C 1.417 177.189 175.800 -0.046 0.000 1.077 425 F CA 2.109 60.110 58.000 0.001 0.000 1.268 425 F CB 0.518 39.556 39.000 0.062 0.000 1.053 425 F HN 0.907 nan 8.300 nan 0.000 0.571 426 G N 3.773 112.141 108.800 -0.719 0.000 2.189 426 G HA2 -0.328 3.632 3.960 0.001 0.000 0.267 426 G HA3 -0.328 3.632 3.960 0.001 0.000 0.267 426 G C 0.089 174.815 174.900 -0.289 0.000 0.975 426 G CA 0.322 45.099 45.100 -0.538 0.000 0.644 426 G HN 0.680 nan 8.290 nan 0.000 0.537 427 E N 1.137 121.201 120.200 -0.226 0.000 2.028 427 E HA 0.478 4.828 4.350 0.001 0.000 0.266 427 E C 1.110 177.610 176.600 -0.167 0.000 0.962 427 E CA -0.110 56.210 56.400 -0.133 0.000 0.784 427 E CB 0.674 30.338 29.700 -0.059 0.000 1.114 427 E HN 0.414 nan 8.360 nan 0.000 0.414 428 G N 1.647 110.351 108.800 -0.160 0.000 2.630 428 G HA2 0.186 4.147 3.960 0.001 0.000 0.236 428 G HA3 0.186 4.147 3.960 0.001 0.000 0.236 428 G C -0.128 174.714 174.900 -0.098 0.000 1.248 428 G CA -0.242 44.772 45.100 -0.143 0.000 0.844 428 G HN 0.316 nan 8.290 nan 0.000 0.588 429 V N 3.520 123.379 119.914 -0.092 0.000 2.531 429 V HA 0.403 4.524 4.120 0.001 0.000 0.301 429 V C -1.989 174.074 176.094 -0.050 0.000 1.034 429 V CA -1.542 60.718 62.300 -0.066 0.000 0.865 429 V CB 2.280 34.062 31.823 -0.070 0.000 0.995 429 V HN 0.751 nan 8.190 nan 0.000 0.424 430 P HA 0.267 nan 4.420 nan 0.000 0.276 430 P C -0.435 176.851 177.300 -0.023 0.000 1.230 430 P CA 0.166 63.250 63.100 -0.026 0.000 0.776 430 P CB 1.708 33.396 31.700 -0.020 0.000 0.888 431 V N 0.000 119.903 119.914 -0.018 0.000 2.409 431 V HA 0.000 4.121 4.120 0.001 0.000 0.244 431 V CA 0.000 62.293 62.300 -0.012 0.000 1.235 431 V CB 0.000 31.819 31.823 -0.006 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556