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 1gph_1_2 DATA FIRST_RESID 1 DATA SEQUENCE CGVFGIWGHE EAPQITYYGL HSLQHRGQEG AGIVATDGEK LTAHKGQGLI DATA SEQUENCE TEVFQNGELS KVKGKGAIGH VRYATAGGGG YENVQPLLFR SQNNGSLALA DATA SEQUENCE HNGNLVNATQ LKQQLENQGS IFQTSSDTEV LAHLIKRSGH FTLKDQIKNS DATA SEQUENCE LSMLKGAYAF LIMTETEMIV ALDPNGLRPL SIGMMGDAYV VASETCAFDV DATA SEQUENCE VGATYLREVE PGEMLIINDE GMKSERFSMN INRSICSMEY IYFSRPDSNI DATA SEQUENCE DGINVHSARK NLGKMLAQES AVEADVVTGV PDSSISAAIG YAEATGIPYE DATA SEQUENCE LGLIKNRYVG RTFIQPSQAL REQGVRMKLS AVRGVVEGKR VVMVDDSIVR DATA SEQUENCE GTTSRRIVTM LREAGATEVH VKISSPPIAH PCFYGIDTST HEELIASSHS DATA SEQUENCE VDEIRQEIGA DTLSFLSVEG LLKGIGRKYD DSNCGQCLAC FTGKYPTEIY DATA SEQUENCE QDTVLPHVKE AVLTK 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 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.914 174.990 -0.127 0.000 1.270 1 C CA 0.000 58.961 59.018 -0.095 0.000 1.963 1 C CB 0.000 27.627 27.740 -0.188 0.000 2.134 2 G N -0.096 108.554 108.800 -0.250 0.000 2.660 2 G HA2 0.895 4.855 3.960 -0.000 0.000 0.294 2 G HA3 0.895 4.855 3.960 -0.000 0.000 0.294 2 G C -1.207 173.634 174.900 -0.097 0.000 1.369 2 G CA -0.186 44.834 45.100 -0.133 0.000 0.912 2 G HN 1.819 nan 8.290 nan 0.000 0.479 3 V N -1.327 118.610 119.914 0.038 0.000 2.823 3 V HA 0.926 5.046 4.120 -0.000 0.000 0.312 3 V C -1.296 174.926 176.094 0.214 0.000 1.072 3 V CA -1.243 61.147 62.300 0.150 0.000 0.937 3 V CB 1.685 33.618 31.823 0.182 0.000 1.013 3 V HN 0.919 nan 8.190 nan 0.000 0.430 4 F N 1.929 121.933 119.950 0.089 0.000 2.591 4 F HA 0.944 5.471 4.527 -0.000 0.000 0.309 4 F C -0.004 175.881 175.800 0.142 0.000 1.098 4 F CA 0.246 58.311 58.000 0.109 0.000 0.937 4 F CB 2.165 41.212 39.000 0.079 0.000 1.250 4 F HN 1.098 nan 8.300 nan 0.000 0.447 5 G N 4.997 113.614 108.800 -0.305 0.000 2.696 5 G HA2 0.633 4.593 3.960 -0.000 0.000 0.295 5 G HA3 0.633 4.593 3.960 -0.000 0.000 0.295 5 G C -2.422 172.319 174.900 -0.264 0.000 1.398 5 G CA -0.770 44.281 45.100 -0.082 0.000 0.920 5 G HN 0.916 nan 8.290 nan 0.000 0.492 6 I N 0.492 121.078 120.570 0.027 0.000 2.656 6 I HA 0.638 4.808 4.170 -0.000 0.000 0.292 6 I C -1.687 174.564 176.117 0.224 0.000 1.144 6 I CA -1.210 60.147 61.300 0.094 0.000 1.038 6 I CB 2.144 40.233 38.000 0.149 0.000 1.244 6 I HN 0.642 nan 8.210 nan 0.000 0.420 7 W N 7.676 129.041 121.300 0.108 0.000 2.532 7 W HA 0.555 5.215 4.660 -0.000 0.000 0.321 7 W C 0.137 176.749 176.519 0.156 0.000 1.037 7 W CA -0.150 57.271 57.345 0.126 0.000 1.220 7 W CB 1.834 31.360 29.460 0.109 0.000 1.361 7 W HN 0.863 nan 8.180 nan 0.000 0.468 8 G N 4.230 112.754 108.800 -0.460 0.000 2.467 8 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.242 8 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.242 8 G C -1.006 173.860 174.900 -0.056 0.000 1.127 8 G CA -0.143 44.811 45.100 -0.243 0.000 0.924 8 G HN 0.830 nan 8.290 nan 0.000 0.499 9 H N -0.700 118.283 119.070 -0.145 0.000 2.947 9 H HA 0.450 5.006 4.556 -0.000 0.000 0.354 9 H C 0.639 175.926 175.328 -0.069 0.000 1.085 9 H CA -0.577 55.434 56.048 -0.060 0.000 1.253 9 H CB 2.010 31.772 29.762 0.000 0.000 1.757 9 H HN 0.050 nan 8.280 nan 0.000 0.523 10 E N 2.429 122.637 120.200 0.014 0.000 2.268 10 E HA -0.103 4.247 4.350 -0.000 0.000 0.195 10 E C 0.744 177.443 176.600 0.164 0.000 0.995 10 E CA 0.804 57.235 56.400 0.052 0.000 0.836 10 E CB 0.376 30.059 29.700 -0.028 0.000 0.763 10 E HN 0.553 nan 8.360 nan 0.000 0.491 11 E N -1.328 119.133 120.200 0.434 0.000 2.585 11 E HA 0.311 4.661 4.350 -0.000 0.000 0.206 11 E C 1.117 177.747 176.600 0.051 0.000 1.007 11 E CA 0.371 56.898 56.400 0.210 0.000 1.028 11 E CB 0.002 29.846 29.700 0.241 0.000 1.087 11 E HN 0.159 nan 8.360 nan 0.000 0.455 12 A N 1.152 124.021 122.820 0.081 0.000 1.927 12 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 12 A C -0.477 177.129 177.584 0.037 0.000 1.185 12 A CA 1.450 53.502 52.037 0.025 0.000 0.639 12 A CB -1.242 17.785 19.000 0.046 0.000 0.820 12 A HN 0.311 nan 8.150 nan 0.000 0.451 13 P HA -0.123 nan 4.420 nan 0.000 0.217 13 P C 1.334 178.597 177.300 -0.061 0.000 1.150 13 P CA 1.389 64.489 63.100 -0.001 0.000 0.832 13 P CB -0.035 31.665 31.700 0.000 0.000 0.787 14 Q N -0.674 119.089 119.800 -0.061 0.000 2.020 14 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 14 Q C 2.143 178.159 176.000 0.026 0.000 0.982 14 Q CA 1.347 57.102 55.803 -0.080 0.000 0.838 14 Q CB -1.159 27.589 28.738 0.017 0.000 0.899 14 Q HN 0.154 nan 8.270 nan 0.000 0.423 15 I N 0.520 121.117 120.570 0.045 0.000 2.145 15 I HA -0.312 3.858 4.170 -0.000 0.000 0.244 15 I C 1.911 178.015 176.117 -0.022 0.000 1.075 15 I CA 1.835 63.176 61.300 0.067 0.000 1.332 15 I CB -1.722 36.263 38.000 -0.024 0.000 1.033 15 I HN 0.261 nan 8.210 nan 0.000 0.410 16 T N 0.132 114.693 114.554 0.012 0.000 2.821 16 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 16 T C 1.833 176.385 174.700 -0.245 0.000 1.046 16 T CA 1.216 63.262 62.100 -0.090 0.000 1.139 16 T CB -0.552 68.416 68.868 0.166 0.000 0.871 16 T HN 0.379 nan 8.240 nan 0.000 0.454 17 Y N 0.915 120.972 120.300 -0.404 0.000 2.165 17 Y HA -0.251 4.299 4.550 -0.000 0.000 0.286 17 Y C 2.000 177.603 175.900 -0.495 0.000 1.155 17 Y CA 1.246 59.016 58.100 -0.550 0.000 1.164 17 Y CB -0.430 37.576 38.460 -0.757 0.000 0.978 17 Y HN 0.192 nan 8.280 nan 0.000 0.513 18 Y N -0.112 120.153 120.300 -0.058 0.000 2.200 18 Y HA -0.029 4.521 4.550 -0.000 0.000 0.290 18 Y C 2.697 178.437 175.900 -0.267 0.000 1.137 18 Y CA 1.107 59.128 58.100 -0.133 0.000 1.163 18 Y CB -1.178 37.245 38.460 -0.061 0.000 0.988 18 Y HN 0.189 nan 8.280 nan 0.000 0.518 19 G N -0.035 108.502 108.800 -0.439 0.000 2.433 19 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 19 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 19 G C 1.731 176.338 174.900 -0.488 0.000 1.186 19 G CA 0.884 45.472 45.100 -0.852 0.000 0.779 19 G HN 0.341 nan 8.290 nan 0.000 0.543 20 L N -0.348 120.614 121.223 -0.435 0.000 2.187 20 L HA -0.122 4.218 4.340 -0.000 0.000 0.213 20 L C 2.623 179.345 176.870 -0.248 0.000 1.100 20 L CA 1.096 55.786 54.840 -0.250 0.000 0.765 20 L CB -0.474 41.462 42.059 -0.205 0.000 0.904 20 L HN 0.370 nan 8.230 nan 0.000 0.437 21 H N -0.284 118.577 119.070 -0.348 0.000 2.395 21 H HA -0.114 4.442 4.556 -0.000 0.000 0.299 21 H C 2.386 177.621 175.328 -0.155 0.000 1.070 21 H CA 1.710 57.581 56.048 -0.294 0.000 1.356 21 H CB 0.382 29.932 29.762 -0.354 0.000 1.401 21 H HN 0.378 nan 8.280 nan 0.000 0.524 22 S N 0.097 115.759 115.700 -0.063 0.000 2.507 22 S HA -0.021 4.449 4.470 -0.000 0.000 0.235 22 S C 1.810 176.405 174.600 -0.009 0.000 0.988 22 S CA 0.471 58.652 58.200 -0.032 0.000 0.944 22 S CB -0.331 62.861 63.200 -0.013 0.000 0.762 22 S HN 0.354 nan 8.310 nan 0.000 0.526 23 L N 0.547 121.712 121.223 -0.096 0.000 2.728 23 L HA 0.329 4.669 4.340 -0.000 0.000 0.238 23 L C 2.283 178.956 176.870 -0.328 0.000 1.143 23 L CA -0.039 54.693 54.840 -0.179 0.000 0.937 23 L CB -0.122 41.843 42.059 -0.158 0.000 1.225 23 L HN 0.266 nan 8.230 nan 0.000 0.507 24 Q N 0.915 120.564 119.800 -0.252 0.000 2.234 24 Q HA -0.240 4.100 4.340 -0.000 0.000 0.206 24 Q C 2.215 178.066 176.000 -0.248 0.000 0.980 24 Q CA 1.867 57.502 55.803 -0.281 0.000 0.869 24 Q CB -0.113 28.388 28.738 -0.395 0.000 0.912 24 Q HN 0.657 nan 8.270 nan 0.000 0.436 25 H N -1.185 117.737 119.070 -0.246 0.000 2.491 25 H HA 0.048 4.604 4.556 -0.000 0.000 0.290 25 H C 1.233 176.392 175.328 -0.282 0.000 1.050 25 H CA 1.147 57.043 56.048 -0.253 0.000 1.309 25 H CB -0.196 29.390 29.762 -0.294 0.000 1.392 25 H HN 0.299 nan 8.280 nan 0.000 0.554 26 R N 0.875 120.820 120.500 -0.924 0.000 2.280 26 R HA 0.139 4.479 4.340 -0.000 0.000 0.207 26 R C 0.357 176.664 176.300 0.012 0.000 1.043 26 R CA 0.724 56.513 56.100 -0.519 0.000 1.006 26 R CB 0.376 30.424 30.300 -0.418 0.000 0.885 26 R HN 0.448 nan 8.270 nan 0.000 0.467 27 G N -0.180 108.576 108.800 -0.072 0.000 2.503 27 G HA2 0.168 4.128 3.960 -0.000 0.000 0.305 27 G HA3 0.168 4.128 3.960 -0.000 0.000 0.305 27 G C -0.884 173.964 174.900 -0.087 0.000 1.575 27 G CA -0.641 44.466 45.100 0.012 0.000 0.890 27 G HN -0.039 nan 8.290 nan 0.000 0.612 28 Q N -0.082 119.650 119.800 -0.114 0.000 2.149 28 Q HA 0.245 4.585 4.340 -0.000 0.000 0.221 28 Q C 1.083 177.043 176.000 -0.066 0.000 0.807 28 Q CA 0.044 55.789 55.803 -0.097 0.000 1.000 28 Q CB 1.226 29.901 28.738 -0.104 0.000 1.157 28 Q HN 0.551 nan 8.270 nan 0.000 0.487 29 E N -0.157 120.012 120.200 -0.051 0.000 2.465 29 E HA 0.333 4.683 4.350 -0.000 0.000 0.191 29 E C 0.133 176.733 176.600 0.001 0.000 1.053 29 E CA 0.191 56.578 56.400 -0.022 0.000 0.869 29 E CB 1.035 30.729 29.700 -0.010 0.000 0.977 29 E HN 0.283 nan 8.360 nan 0.000 0.483 30 G N -0.849 107.952 108.800 0.002 0.000 2.338 30 G HA2 0.620 4.580 3.960 -0.000 0.000 0.295 30 G HA3 0.620 4.580 3.960 -0.000 0.000 0.295 30 G C -1.677 173.238 174.900 0.025 0.000 1.461 30 G CA -0.219 44.883 45.100 0.003 0.000 0.817 30 G HN 0.165 nan 8.290 nan 0.000 0.556 31 A N -1.110 121.731 122.820 0.035 0.000 2.566 31 A HA 1.022 5.342 4.320 -0.000 0.000 0.297 31 A C -0.208 177.455 177.584 0.131 0.000 1.059 31 A CA 0.241 52.342 52.037 0.107 0.000 0.691 31 A CB 1.700 20.803 19.000 0.171 0.000 1.282 31 A HN 2.383 nan 8.150 nan 0.000 0.401 32 G N 0.030 108.944 108.800 0.189 0.000 2.696 32 G HA2 0.681 4.641 3.960 -0.000 0.000 0.295 32 G HA3 0.681 4.641 3.960 -0.000 0.000 0.295 32 G C -1.508 173.543 174.900 0.253 0.000 1.398 32 G CA -0.496 44.713 45.100 0.181 0.000 0.920 32 G HN 0.804 nan 8.290 nan 0.000 0.492 33 I N 0.480 121.235 120.570 0.308 0.000 2.607 33 I HA 0.411 4.581 4.170 -0.000 0.000 0.290 33 I C -0.903 175.343 176.117 0.214 0.000 1.129 33 I CA -1.039 60.405 61.300 0.239 0.000 1.042 33 I CB 2.697 40.806 38.000 0.181 0.000 1.242 33 I HN 0.208 nan 8.210 nan 0.000 0.421 34 V N 4.796 124.810 119.914 0.167 0.000 2.483 34 V HA 0.780 4.900 4.120 -0.000 0.000 0.297 34 V C -0.047 176.131 176.094 0.139 0.000 1.027 34 V CA -0.394 61.992 62.300 0.143 0.000 0.855 34 V CB 1.597 33.493 31.823 0.123 0.000 0.995 34 V HN 0.824 nan 8.190 nan 0.000 0.424 35 A N 3.201 126.093 122.820 0.120 0.000 2.354 35 A HA 0.921 5.241 4.320 -0.000 0.000 0.321 35 A C -0.268 177.367 177.584 0.085 0.000 1.125 35 A CA -0.648 51.446 52.037 0.095 0.000 0.799 35 A CB 2.082 21.125 19.000 0.071 0.000 1.293 35 A HN 0.686 nan 8.150 nan 0.000 0.452 36 T N -0.138 114.452 114.554 0.061 0.000 2.848 36 T HA 0.460 4.810 4.350 -0.000 0.000 0.285 36 T C -0.338 174.358 174.700 -0.006 0.000 0.995 36 T CA -0.152 61.986 62.100 0.064 0.000 0.970 36 T CB 0.908 69.865 68.868 0.149 0.000 0.976 36 T HN 0.668 nan 8.240 nan 0.000 0.441 37 D N 2.479 122.887 120.400 0.012 0.000 2.339 37 D HA 0.286 4.926 4.640 -0.000 0.000 0.217 37 D C 1.526 177.832 176.300 0.010 0.000 1.050 37 D CA 0.677 54.670 54.000 -0.012 0.000 0.856 37 D CB 0.026 40.829 40.800 0.005 0.000 0.922 37 D HN 0.921 nan 8.370 nan 0.000 0.518 38 G N 0.131 108.967 108.800 0.060 0.000 2.307 38 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.210 38 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.210 38 G C 1.099 176.053 174.900 0.089 0.000 1.005 38 G CA 0.186 45.346 45.100 0.102 0.000 0.634 38 G HN 0.314 nan 8.290 nan 0.000 0.496 39 E N 0.203 120.442 120.200 0.066 0.000 2.290 39 E HA 0.334 4.684 4.350 -0.000 0.000 0.199 39 E C 0.789 177.424 176.600 0.059 0.000 0.912 39 E CA 1.290 57.724 56.400 0.057 0.000 0.924 39 E CB 0.399 30.125 29.700 0.043 0.000 0.901 39 E HN 0.733 nan 8.360 nan 0.000 0.487 40 K N -0.454 119.983 120.400 0.060 0.000 2.587 40 K HA 0.381 4.701 4.320 -0.000 0.000 0.276 40 K C -1.241 175.399 176.600 0.066 0.000 0.956 40 K CA -0.630 55.693 56.287 0.060 0.000 0.857 40 K CB 1.018 33.547 32.500 0.048 0.000 1.431 40 K HN -0.174 nan 8.250 nan 0.000 0.420 41 L N 1.901 123.167 121.223 0.071 0.000 2.275 41 L HA 0.475 4.815 4.340 -0.000 0.000 0.288 41 L C -0.148 176.765 176.870 0.072 0.000 1.046 41 L CA -0.672 54.215 54.840 0.079 0.000 0.805 41 L CB 1.485 43.595 42.059 0.085 0.000 1.193 41 L HN 0.871 nan 8.230 nan 0.000 0.426 42 T N 2.110 116.713 114.554 0.082 0.000 2.893 42 T HA 0.839 5.189 4.350 -0.000 0.000 0.291 42 T C -0.764 174.005 174.700 0.115 0.000 1.028 42 T CA -0.246 61.907 62.100 0.088 0.000 0.995 42 T CB 1.909 70.823 68.868 0.078 0.000 1.051 42 T HN 0.807 nan 8.240 nan 0.000 0.470 43 A N 2.823 125.723 122.820 0.133 0.000 2.583 43 A HA 0.821 5.141 4.320 -0.000 0.000 0.289 43 A C -1.363 176.364 177.584 0.239 0.000 1.151 43 A CA -0.657 51.480 52.037 0.167 0.000 0.695 43 A CB 1.504 20.572 19.000 0.112 0.000 1.290 43 A HN 1.047 nan 8.150 nan 0.000 0.419 44 H N 0.219 119.375 119.070 0.144 0.000 3.112 44 H HA 0.515 5.071 4.556 -0.000 0.000 0.347 44 H C -1.561 173.766 175.328 -0.002 0.000 1.188 44 H CA -0.251 55.818 56.048 0.036 0.000 1.240 44 H CB 1.452 31.193 29.762 -0.034 0.000 1.920 44 H HN 0.939 nan 8.280 nan 0.000 0.535 45 K N 2.851 122.800 120.400 -0.751 0.000 2.571 45 K HA 0.747 5.067 4.320 -0.000 0.000 0.289 45 K C -1.190 175.091 176.600 -0.532 0.000 1.028 45 K CA -0.789 55.172 56.287 -0.543 0.000 0.895 45 K CB 2.614 34.927 32.500 -0.313 0.000 1.534 45 K HN 0.740 nan 8.250 nan 0.000 0.421 46 G N 0.241 108.831 108.800 -0.351 0.000 2.321 46 G HA2 0.185 4.145 3.960 -0.000 0.000 0.298 46 G HA3 0.185 4.145 3.960 -0.000 0.000 0.298 46 G C -1.990 172.853 174.900 -0.095 0.000 1.385 46 G CA -0.949 44.066 45.100 -0.142 0.000 0.856 46 G HN 0.490 nan 8.290 nan 0.000 0.584 47 Q N -0.630 119.166 119.800 -0.007 0.000 2.227 47 Q HA 0.650 4.990 4.340 -0.000 0.000 0.245 47 Q C 0.537 176.544 176.000 0.012 0.000 0.926 47 Q CA 0.375 56.179 55.803 0.002 0.000 0.895 47 Q CB 1.830 30.586 28.738 0.031 0.000 1.230 47 Q HN 2.051 nan 8.270 nan 0.000 0.450 48 G N -0.009 108.797 108.800 0.010 0.000 2.434 48 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.671 48 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.671 48 G C -1.519 173.391 174.900 0.016 0.000 1.280 48 G CA -1.178 43.932 45.100 0.017 0.000 0.975 48 G HN 0.336 nan 8.290 nan 0.000 0.510 49 L N 0.994 122.230 121.223 0.022 0.000 2.467 49 L HA 0.332 4.672 4.340 -0.000 0.000 0.270 49 L C 2.447 179.356 176.870 0.064 0.000 1.205 49 L CA -0.148 54.701 54.840 0.015 0.000 0.828 49 L CB 0.356 42.423 42.059 0.014 0.000 1.101 49 L HN 0.569 nan 8.230 nan 0.000 0.479 50 I N 0.460 121.058 120.570 0.046 0.000 2.208 50 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 50 I C 2.157 178.433 176.117 0.265 0.000 1.097 50 I CA 1.959 63.344 61.300 0.142 0.000 1.363 50 I CB -1.349 36.609 38.000 -0.069 0.000 1.051 50 I HN 0.890 nan 8.210 nan 0.000 0.413 51 T N -1.608 113.063 114.554 0.195 0.000 2.881 51 T HA -0.159 4.191 4.350 -0.000 0.000 0.270 51 T C 1.639 176.466 174.700 0.211 0.000 1.068 51 T CA 1.179 63.426 62.100 0.244 0.000 1.131 51 T CB -0.326 68.658 68.868 0.193 0.000 0.871 51 T HN 0.440 nan 8.240 nan 0.000 0.479 52 E N 0.578 120.873 120.200 0.159 0.000 2.051 52 E HA -0.005 4.345 4.350 -0.000 0.000 0.189 52 E C 2.444 179.119 176.600 0.126 0.000 0.979 52 E CA 0.889 57.361 56.400 0.120 0.000 0.803 52 E CB -0.142 29.606 29.700 0.081 0.000 0.761 52 E HN 0.331 nan 8.360 nan 0.000 0.451 53 V N 0.662 120.659 119.914 0.138 0.000 2.343 53 V HA -0.187 3.933 4.120 -0.000 0.000 0.247 53 V C 0.719 176.817 176.094 0.007 0.000 1.051 53 V CA 1.365 63.685 62.300 0.034 0.000 1.036 53 V CB -0.270 31.562 31.823 0.016 0.000 0.654 53 V HN 0.127 nan 8.190 nan 0.000 0.451 54 F N 0.405 120.490 119.950 0.224 0.000 2.319 54 F HA 0.416 4.943 4.527 0.000 0.000 0.356 54 F C 1.293 177.183 175.800 0.150 0.000 1.100 54 F CA -0.645 57.486 58.000 0.219 0.000 1.220 54 F CB 0.744 39.899 39.000 0.259 0.000 1.506 54 F HN -0.076 nan 8.300 nan 0.000 0.512 55 Q N 0.683 120.606 119.800 0.205 0.000 2.234 55 Q HA -0.149 4.191 4.340 -0.000 0.000 0.206 55 Q C 0.256 176.314 176.000 0.097 0.000 0.980 55 Q CA 0.870 56.753 55.803 0.132 0.000 0.869 55 Q CB -0.262 28.521 28.738 0.077 0.000 0.912 55 Q HN 0.710 nan 8.270 nan 0.000 0.436 56 N N -3.036 115.720 118.700 0.093 0.000 4.530 56 N HA -0.119 4.621 4.740 -0.000 0.000 0.346 56 N C 0.284 175.797 175.510 0.006 0.000 2.050 56 N CA 1.644 54.719 53.050 0.041 0.000 2.835 56 N CB -0.925 37.558 38.487 -0.008 0.000 0.390 56 N HN 0.305 nan 8.380 nan 0.000 0.703 57 G N 1.173 109.968 108.800 -0.008 0.000 2.799 57 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.200 57 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.200 57 G C 0.839 175.715 174.900 -0.039 0.000 1.206 57 G CA 0.818 45.903 45.100 -0.025 0.000 0.827 57 G HN 0.609 nan 8.290 nan 0.000 0.511 58 E N 0.445 120.607 120.200 -0.063 0.000 2.058 58 E HA -0.006 4.344 4.350 -0.000 0.000 0.194 58 E C 2.403 179.064 176.600 0.102 0.000 0.997 58 E CA 1.533 57.849 56.400 -0.140 0.000 0.801 58 E CB -0.147 29.337 29.700 -0.361 0.000 0.746 58 E HN 0.428 nan 8.360 nan 0.000 0.450 59 L N 1.038 122.412 121.223 0.252 0.000 2.046 59 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 59 L C 1.959 178.866 176.870 0.063 0.000 1.077 59 L CA 1.923 56.886 54.840 0.205 0.000 0.747 59 L CB -0.533 41.463 42.059 -0.105 0.000 0.896 59 L HN 0.061 nan 8.230 nan 0.000 0.432 60 S N -1.036 114.672 115.700 0.013 0.000 2.465 60 S HA -0.135 4.335 4.470 -0.000 0.000 0.241 60 S C 1.746 176.356 174.600 0.018 0.000 1.000 60 S CA 0.771 58.972 58.200 0.002 0.000 0.964 60 S CB -0.511 62.682 63.200 -0.013 0.000 0.763 60 S HN 0.412 nan 8.310 nan 0.000 0.512 61 K N 1.151 121.568 120.400 0.029 0.000 2.366 61 K HA 0.205 4.525 4.320 -0.000 0.000 0.198 61 K C 0.355 176.991 176.600 0.060 0.000 1.044 61 K CA 0.193 56.496 56.287 0.028 0.000 0.973 61 K CB -0.291 32.209 32.500 0.000 0.000 0.767 61 K HN 0.317 nan 8.250 nan 0.000 0.475 62 V N 2.265 122.235 119.914 0.093 0.000 2.465 62 V HA 0.224 4.344 4.120 -0.000 0.000 0.279 62 V C 0.042 176.174 176.094 0.063 0.000 1.045 62 V CA -0.423 61.942 62.300 0.108 0.000 0.938 62 V CB 1.134 33.061 31.823 0.173 0.000 0.986 62 V HN 0.071 nan 8.190 nan 0.000 0.467 63 K N 2.531 122.962 120.400 0.051 0.000 2.527 63 K HA 0.803 5.123 4.320 -0.000 0.000 0.260 63 K C -0.173 176.440 176.600 0.022 0.000 0.937 63 K CA -0.471 55.834 56.287 0.031 0.000 0.826 63 K CB 2.666 35.180 32.500 0.024 0.000 1.359 63 K HN 1.005 nan 8.250 nan 0.000 0.434 64 G N 0.962 109.764 108.800 0.003 0.000 2.327 64 G HA2 0.074 4.034 3.960 -0.000 0.000 0.291 64 G HA3 0.074 4.034 3.960 -0.000 0.000 0.291 64 G C -1.076 173.781 174.900 -0.071 0.000 1.290 64 G CA -0.579 44.503 45.100 -0.031 0.000 0.857 64 G HN 0.447 nan 8.290 nan 0.000 0.520 65 K N -0.297 119.995 120.400 -0.180 0.000 2.402 65 K HA 0.415 4.735 4.320 -0.000 0.000 0.204 65 K C 0.524 176.862 176.600 -0.437 0.000 1.056 65 K CA 0.741 56.879 56.287 -0.249 0.000 1.069 65 K CB 1.111 33.436 32.500 -0.292 0.000 0.888 65 K HN 1.368 nan 8.250 nan 0.000 0.546 66 G N 0.100 108.642 108.800 -0.430 0.000 2.612 66 G HA2 0.726 4.686 3.960 -0.000 0.000 0.298 66 G HA3 0.726 4.686 3.960 -0.000 0.000 0.298 66 G C -1.614 173.288 174.900 0.002 0.000 1.336 66 G CA -0.400 44.501 45.100 -0.332 0.000 0.953 66 G HN 0.367 nan 8.290 nan 0.000 0.482 67 A N 0.392 123.296 122.820 0.140 0.000 2.605 67 A HA 0.787 5.107 4.320 -0.000 0.000 0.294 67 A C -1.066 176.643 177.584 0.208 0.000 1.062 67 A CA -0.506 51.630 52.037 0.165 0.000 0.682 67 A CB 1.074 20.162 19.000 0.147 0.000 1.278 67 A HN 1.836 nan 8.150 nan 0.000 0.410 68 I N -1.339 119.353 120.570 0.204 0.000 2.769 68 I HA 0.973 5.143 4.170 -0.000 0.000 0.298 68 I C -0.001 176.246 176.117 0.218 0.000 1.128 68 I CA -0.844 60.584 61.300 0.213 0.000 1.031 68 I CB 2.472 40.586 38.000 0.190 0.000 1.235 68 I HN 1.061 nan 8.210 nan 0.000 0.423 69 G N 2.350 111.298 108.800 0.247 0.000 2.690 69 G HA2 0.540 4.500 3.960 -0.000 0.000 0.293 69 G HA3 0.540 4.500 3.960 -0.000 0.000 0.293 69 G C -2.271 172.784 174.900 0.258 0.000 1.399 69 G CA -0.459 44.777 45.100 0.226 0.000 0.890 69 G HN 0.938 nan 8.290 nan 0.000 0.485 70 H N -0.193 118.937 119.070 0.101 0.000 2.895 70 H HA 0.699 5.255 4.556 -0.000 0.000 0.373 70 H C -1.763 173.591 175.328 0.043 0.000 1.174 70 H CA -0.617 55.476 56.048 0.075 0.000 1.144 70 H CB 2.656 32.462 29.762 0.074 0.000 1.793 70 H HN 0.400 nan 8.280 nan 0.000 0.551 71 V N 4.768 124.532 119.914 -0.251 0.000 2.531 71 V HA 0.386 4.506 4.120 -0.000 0.000 0.301 71 V C -0.073 175.827 176.094 -0.323 0.000 1.034 71 V CA -0.638 61.553 62.300 -0.183 0.000 0.865 71 V CB 1.878 33.595 31.823 -0.177 0.000 0.995 71 V HN 0.699 nan 8.190 nan 0.000 0.424 72 R N 3.256 123.697 120.500 -0.098 0.000 2.732 72 R HA 0.536 4.876 4.340 -0.000 0.000 0.278 72 R C -1.870 174.490 176.300 0.099 0.000 0.976 72 R CA -0.520 55.591 56.100 0.018 0.000 0.963 72 R CB 1.824 32.227 30.300 0.172 0.000 1.150 72 R HN 0.653 nan 8.270 nan 0.000 0.478 73 Y N 1.220 121.521 120.300 0.003 0.000 2.446 73 Y HA 0.644 5.194 4.550 -0.000 0.000 0.338 73 Y C -1.425 174.494 175.900 0.033 0.000 1.055 73 Y CA -0.741 57.373 58.100 0.022 0.000 1.101 73 Y CB 2.171 40.655 38.460 0.040 0.000 1.221 73 Y HN 0.709 nan 8.280 nan 0.000 0.460 74 A N 3.274 126.208 122.820 0.190 0.000 2.437 74 A HA 0.427 4.747 4.320 -0.000 0.000 0.293 74 A C 0.536 178.187 177.584 0.112 0.000 1.038 74 A CA -0.073 52.072 52.037 0.180 0.000 0.708 74 A CB 0.484 19.530 19.000 0.077 0.000 1.251 74 A HN 0.915 nan 8.150 nan 0.000 0.409 75 T N 0.713 115.381 114.554 0.190 0.000 2.580 75 T HA 0.043 4.393 4.350 -0.000 0.000 0.265 75 T C 1.155 175.853 174.700 -0.002 0.000 1.063 75 T CA 1.500 63.680 62.100 0.134 0.000 1.170 75 T CB -0.548 68.327 68.868 0.012 0.000 0.863 75 T HN 1.788 nan 8.240 nan 0.000 0.418 76 A N 2.004 124.783 122.820 -0.068 0.000 2.354 76 A HA 0.597 4.917 4.320 -0.000 0.000 0.281 76 A C 0.953 178.530 177.584 -0.012 0.000 1.174 76 A CA -0.276 51.734 52.037 -0.044 0.000 0.828 76 A CB -0.148 18.822 19.000 -0.051 0.000 1.099 76 A HN 0.696 nan 8.150 nan 0.000 0.516 77 G N 1.619 110.411 108.800 -0.013 0.000 2.305 77 G HA2 0.485 4.445 3.960 -0.000 0.000 0.281 77 G HA3 0.485 4.445 3.960 -0.000 0.000 0.281 77 G C 0.657 175.559 174.900 0.003 0.000 1.085 77 G CA 0.768 45.859 45.100 -0.016 0.000 1.211 77 G HN 1.697 nan 8.290 nan 0.000 0.421 78 G N 1.027 109.835 108.800 0.013 0.000 2.492 78 G HA2 0.510 4.470 3.960 -0.000 0.000 0.065 78 G HA3 0.510 4.470 3.960 -0.000 0.000 0.065 78 G C 0.973 175.894 174.900 0.035 0.000 0.956 78 G CA 1.120 46.234 45.100 0.024 0.000 1.223 78 G HN 1.965 nan 8.290 nan 0.000 0.511 79 G N -0.504 108.319 108.800 0.037 0.000 2.458 79 G HA2 0.427 4.387 3.960 -0.000 0.000 0.237 79 G HA3 0.427 4.387 3.960 -0.000 0.000 0.237 79 G C 1.928 176.860 174.900 0.053 0.000 1.113 79 G CA 1.252 46.379 45.100 0.045 0.000 0.655 79 G HN 2.986 nan 8.290 nan 0.000 0.513 80 G N -2.047 106.789 108.800 0.060 0.000 2.712 80 G HA2 0.168 4.128 3.960 -0.000 0.000 0.686 80 G HA3 0.168 4.128 3.960 -0.000 0.000 0.686 80 G C 0.132 175.097 174.900 0.107 0.000 1.181 80 G CA 0.572 45.725 45.100 0.088 0.000 0.762 80 G HN 1.662 nan 8.290 nan 0.000 0.641 81 Y N 1.182 121.488 120.300 0.009 0.000 2.132 81 Y HA -0.306 4.244 4.550 0.000 0.000 0.280 81 Y C 2.637 178.538 175.900 0.001 0.000 1.193 81 Y CA 3.250 61.349 58.100 -0.001 0.000 1.157 81 Y CB -0.055 38.399 38.460 -0.009 0.000 0.966 81 Y HN 0.822 nan 8.280 nan 0.000 0.511 82 E N -0.052 120.274 120.200 0.209 0.000 2.130 82 E HA -0.237 4.113 4.350 -0.000 0.000 0.196 82 E C 1.525 178.139 176.600 0.023 0.000 0.998 82 E CA 1.747 58.221 56.400 0.123 0.000 0.806 82 E CB -0.463 29.309 29.700 0.120 0.000 0.738 82 E HN 0.516 nan 8.360 nan 0.000 0.459 83 N N 0.358 119.067 118.700 0.014 0.000 2.398 83 N HA 0.025 4.765 4.740 -0.000 0.000 0.188 83 N C -0.402 175.091 175.510 -0.027 0.000 1.122 83 N CA 0.113 53.172 53.050 0.014 0.000 0.866 83 N CB 0.562 39.077 38.487 0.047 0.000 0.970 83 N HN 0.025 nan 8.380 nan 0.000 0.462 84 V N 2.251 122.097 119.914 -0.113 0.000 2.572 84 V HA 0.040 4.160 4.120 -0.000 0.000 0.291 84 V C 0.469 176.461 176.094 -0.171 0.000 1.039 84 V CA 0.154 62.365 62.300 -0.148 0.000 1.055 84 V CB 1.030 32.663 31.823 -0.316 0.000 0.969 84 V HN 0.147 nan 8.190 nan 0.000 0.482 85 Q N 5.406 125.128 119.800 -0.130 0.000 2.333 85 Q HA 0.466 4.806 4.340 -0.000 0.000 0.266 85 Q C -2.620 173.337 176.000 -0.072 0.000 1.053 85 Q CA -2.131 53.561 55.803 -0.186 0.000 0.890 85 Q CB 1.357 29.822 28.738 -0.455 0.000 1.337 85 Q HN 0.441 nan 8.270 nan 0.000 0.474 86 P HA 0.029 nan 4.420 nan 0.000 0.271 86 P C -1.035 176.232 177.300 -0.054 0.000 1.220 86 P CA -0.104 62.986 63.100 -0.015 0.000 0.768 86 P CB 0.343 32.082 31.700 0.065 0.000 0.848 87 L N 4.044 125.231 121.223 -0.059 0.000 2.426 87 L HA 0.195 4.535 4.340 -0.000 0.000 0.271 87 L C 0.372 177.117 176.870 -0.209 0.000 1.169 87 L CA 0.492 55.228 54.840 -0.174 0.000 0.836 87 L CB -0.055 41.918 42.059 -0.143 0.000 1.112 87 L HN 0.316 nan 8.230 nan 0.000 0.465 88 L N 3.569 124.572 121.223 -0.368 0.000 2.341 88 L HA 0.570 4.910 4.340 -0.000 0.000 0.278 88 L C -1.389 175.200 176.870 -0.470 0.000 1.005 88 L CA -0.447 54.249 54.840 -0.240 0.000 0.818 88 L CB 1.284 43.284 42.059 -0.100 0.000 1.259 88 L HN 0.399 nan 8.230 nan 0.000 0.418 89 F N 3.466 123.415 119.950 -0.000 0.000 2.540 89 F HA 0.609 5.136 4.527 -0.000 0.000 0.317 89 F C -0.066 175.725 175.800 -0.015 0.000 1.104 89 F CA -0.839 57.148 58.000 -0.022 0.000 0.913 89 F CB 1.711 40.674 39.000 -0.063 0.000 1.170 89 F HN 0.283 nan 8.300 nan 0.000 0.450 90 R N 1.130 121.711 120.500 0.136 0.000 2.778 90 R HA 0.770 5.110 4.340 -0.000 0.000 0.277 90 R C -1.099 175.240 176.300 0.065 0.000 0.977 90 R CA -0.951 55.197 56.100 0.081 0.000 0.950 90 R CB 1.928 32.257 30.300 0.049 0.000 1.165 90 R HN 0.727 nan 8.270 nan 0.000 0.474 91 S N 0.243 115.969 115.700 0.043 0.000 2.668 91 S HA 0.204 4.674 4.470 -0.000 0.000 0.277 91 S C -0.755 173.857 174.600 0.021 0.000 1.170 91 S CA -0.955 57.259 58.200 0.024 0.000 0.994 91 S CB 2.187 65.392 63.200 0.009 0.000 1.051 91 S HN 0.421 nan 8.310 nan 0.000 0.484 92 Q N 2.164 121.975 119.800 0.017 0.000 2.327 92 Q HA 0.388 4.728 4.340 -0.000 0.000 0.254 92 Q C 0.397 176.404 176.000 0.012 0.000 0.952 92 Q CA 1.116 56.928 55.803 0.016 0.000 0.884 92 Q CB 0.304 29.050 28.738 0.014 0.000 1.224 92 Q HN 0.955 nan 8.270 nan 0.000 0.422 93 N N 2.407 121.115 118.700 0.013 0.000 2.747 93 N HA -0.246 4.494 4.740 -0.000 0.000 0.249 93 N C -0.998 174.516 175.510 0.008 0.000 1.107 93 N CA 1.262 54.318 53.050 0.010 0.000 0.707 93 N CB -1.280 37.212 38.487 0.008 0.000 1.054 93 N HN 0.771 nan 8.380 nan 0.000 0.555 94 N N -0.961 117.745 118.700 0.010 0.000 1.856 94 N HA 0.253 4.993 4.740 -0.000 0.000 0.223 94 N C -0.233 175.283 175.510 0.010 0.000 1.438 94 N CA 1.162 54.216 53.050 0.006 0.000 0.693 94 N CB 0.544 39.028 38.487 -0.004 0.000 1.051 94 N HN 0.783 nan 8.380 nan 0.000 0.563 95 G N -0.188 108.625 108.800 0.021 0.000 2.699 95 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.686 95 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.686 95 G C -0.989 173.934 174.900 0.039 0.000 1.301 95 G CA -0.241 44.877 45.100 0.030 0.000 0.816 95 G HN 0.231 nan 8.290 nan 0.000 0.595 96 S N -0.754 114.978 115.700 0.054 0.000 2.638 96 S HA 0.838 5.308 4.470 -0.000 0.000 0.298 96 S C -0.405 174.243 174.600 0.080 0.000 1.111 96 S CA -0.534 57.709 58.200 0.071 0.000 1.027 96 S CB 1.810 65.054 63.200 0.072 0.000 1.064 96 S HN 1.338 nan 8.310 nan 0.000 0.525 97 L N 1.473 122.765 121.223 0.115 0.000 2.431 97 L HA 0.825 5.165 4.340 -0.000 0.000 0.266 97 L C -1.083 175.885 176.870 0.163 0.000 0.978 97 L CA -0.314 54.597 54.840 0.119 0.000 0.822 97 L CB 1.555 43.671 42.059 0.095 0.000 1.310 97 L HN 0.789 nan 8.230 nan 0.000 0.409 98 A N 4.697 127.597 122.820 0.134 0.000 2.371 98 A HA 0.926 5.246 4.320 -0.000 0.000 0.311 98 A C -1.838 175.828 177.584 0.138 0.000 1.068 98 A CA -0.412 51.701 52.037 0.128 0.000 0.744 98 A CB 1.289 20.356 19.000 0.113 0.000 1.239 98 A HN 0.559 nan 8.150 nan 0.000 0.435 99 L N 0.959 122.271 121.223 0.149 0.000 2.455 99 L HA 0.799 5.139 4.340 -0.000 0.000 0.264 99 L C 0.022 176.989 176.870 0.161 0.000 0.968 99 L CA -0.191 54.753 54.840 0.173 0.000 0.827 99 L CB 2.194 44.366 42.059 0.188 0.000 1.317 99 L HN 0.899 nan 8.230 nan 0.000 0.407 100 A N 1.112 124.057 122.820 0.208 0.000 2.371 100 A HA 0.711 5.031 4.320 -0.000 0.000 0.311 100 A C -1.537 176.217 177.584 0.283 0.000 1.068 100 A CA -0.441 51.684 52.037 0.148 0.000 0.744 100 A CB 1.144 20.259 19.000 0.192 0.000 1.239 100 A HN 0.837 nan 8.150 nan 0.000 0.435 101 H N 2.157 121.269 119.070 0.070 0.000 2.572 101 H HA 0.558 5.114 4.556 -0.000 0.000 0.359 101 H C -1.430 173.930 175.328 0.053 0.000 1.134 101 H CA -0.664 55.345 56.048 -0.065 0.000 1.187 101 H CB 1.578 31.277 29.762 -0.106 0.000 1.597 101 H HN 0.683 nan 8.280 nan 0.000 0.524 102 N N 3.484 121.962 118.700 -0.370 0.000 2.531 102 N HA 0.435 5.175 4.740 -0.000 0.000 0.268 102 N C -0.812 174.354 175.510 -0.574 0.000 1.023 102 N CA 0.371 53.196 53.050 -0.376 0.000 0.896 102 N CB 1.477 39.890 38.487 -0.123 0.000 1.233 102 N HN 0.996 nan 8.380 nan 0.000 0.512 103 G N 1.948 110.315 108.800 -0.723 0.000 2.455 103 G HA2 0.197 4.157 3.960 -0.000 0.000 0.223 103 G HA3 0.197 4.157 3.960 -0.000 0.000 0.223 103 G C -1.903 172.967 174.900 -0.051 0.000 1.226 103 G CA -0.802 44.126 45.100 -0.286 0.000 0.948 103 G HN 0.714 nan 8.290 nan 0.000 0.478 104 N N -0.766 118.097 118.700 0.272 0.000 2.718 104 N HA 0.404 5.144 4.740 -0.000 0.000 0.260 104 N C -1.262 174.458 175.510 0.349 0.000 1.089 104 N CA -0.528 52.706 53.050 0.306 0.000 1.021 104 N CB 1.234 39.840 38.487 0.199 0.000 1.618 104 N HN 0.545 nan 8.380 nan 0.000 0.554 105 L N 3.734 125.134 121.223 0.296 0.000 2.295 105 L HA 0.323 4.663 4.340 -0.000 0.000 0.288 105 L C 1.297 178.294 176.870 0.213 0.000 1.079 105 L CA -0.626 54.366 54.840 0.253 0.000 0.830 105 L CB 1.112 43.265 42.059 0.157 0.000 1.200 105 L HN 0.480 nan 8.230 nan 0.000 0.438 106 V N 2.681 122.746 119.914 0.251 0.000 2.720 106 V HA -0.217 3.903 4.120 -0.000 0.000 0.256 106 V C 1.785 178.041 176.094 0.269 0.000 1.082 106 V CA 1.905 64.333 62.300 0.213 0.000 1.101 106 V CB -0.654 31.284 31.823 0.192 0.000 0.693 106 V HN 1.017 nan 8.190 nan 0.000 0.479 107 N N -0.065 118.779 118.700 0.241 0.000 2.187 107 N HA 0.182 4.922 4.740 -0.000 0.000 0.212 107 N C 1.352 176.857 175.510 -0.008 0.000 1.152 107 N CA 0.703 53.810 53.050 0.095 0.000 0.872 107 N CB 0.327 38.805 38.487 -0.015 0.000 1.025 107 N HN 0.262 nan 8.380 nan 0.000 0.514 108 A N 0.961 123.791 122.820 0.018 0.000 1.948 108 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 108 A C 2.177 179.705 177.584 -0.093 0.000 1.177 108 A CA 2.134 54.148 52.037 -0.039 0.000 0.636 108 A CB -1.373 17.615 19.000 -0.020 0.000 0.815 108 A HN 0.352 nan 8.150 nan 0.000 0.449 109 T N -0.543 113.964 114.554 -0.078 0.000 2.720 109 T HA -0.230 4.120 4.350 -0.000 0.000 0.268 109 T C 2.068 176.700 174.700 -0.114 0.000 1.037 109 T CA 1.754 63.793 62.100 -0.102 0.000 1.144 109 T CB -0.241 68.589 68.868 -0.063 0.000 0.864 109 T HN 0.707 nan 8.240 nan 0.000 0.444 110 Q N 0.293 120.022 119.800 -0.119 0.000 2.016 110 Q HA -0.059 4.281 4.340 -0.000 0.000 0.200 110 Q C 2.366 178.295 176.000 -0.118 0.000 0.978 110 Q CA 1.284 57.004 55.803 -0.138 0.000 0.833 110 Q CB -0.287 28.319 28.738 -0.220 0.000 0.895 110 Q HN 0.476 nan 8.270 nan 0.000 0.427 111 L N 0.506 121.661 121.223 -0.113 0.000 2.083 111 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 111 L C 2.564 179.384 176.870 -0.084 0.000 1.083 111 L CA 1.354 56.141 54.840 -0.088 0.000 0.752 111 L CB -0.292 41.721 42.059 -0.077 0.000 0.899 111 L HN 0.191 nan 8.230 nan 0.000 0.433 112 K N -0.402 119.900 120.400 -0.163 0.000 2.057 112 K HA -0.227 4.093 4.320 -0.000 0.000 0.206 112 K C 2.132 178.672 176.600 -0.100 0.000 1.050 112 K CA 1.247 57.371 56.287 -0.272 0.000 0.935 112 K CB -0.119 32.054 32.500 -0.545 0.000 0.715 112 K HN 0.232 nan 8.250 nan 0.000 0.439 113 Q N 1.249 120.991 119.800 -0.097 0.000 2.112 113 Q HA -0.246 4.094 4.340 -0.000 0.000 0.206 113 Q C 2.015 178.001 176.000 -0.023 0.000 0.987 113 Q CA 1.747 57.518 55.803 -0.053 0.000 0.858 113 Q CB 0.137 28.834 28.738 -0.067 0.000 0.905 113 Q HN 0.320 nan 8.270 nan 0.000 0.420 114 Q N -0.510 119.272 119.800 -0.030 0.000 1.941 114 Q HA -0.167 4.173 4.340 -0.000 0.000 0.201 114 Q C 2.068 178.076 176.000 0.013 0.000 0.982 114 Q CA 1.241 57.034 55.803 -0.017 0.000 0.839 114 Q CB -0.218 28.501 28.738 -0.031 0.000 0.904 114 Q HN 0.283 nan 8.270 nan 0.000 0.427 115 L N 1.473 122.725 121.223 0.047 0.000 2.085 115 L HA -0.282 4.058 4.340 -0.000 0.000 0.218 115 L C 2.013 178.923 176.870 0.066 0.000 1.080 115 L CA 1.842 56.731 54.840 0.082 0.000 0.776 115 L CB -0.650 41.543 42.059 0.224 0.000 0.891 115 L HN 0.294 nan 8.230 nan 0.000 0.437 116 E N -1.260 119.018 120.200 0.130 0.000 2.150 116 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 116 E C 1.525 178.143 176.600 0.030 0.000 0.985 116 E CA 0.704 57.163 56.400 0.097 0.000 0.814 116 E CB 0.001 29.779 29.700 0.129 0.000 0.752 116 E HN 0.504 nan 8.360 nan 0.000 0.466 117 N N 0.674 119.385 118.700 0.018 0.000 2.550 117 N HA -0.071 4.669 4.740 -0.000 0.000 0.186 117 N C 0.558 176.064 175.510 -0.006 0.000 1.110 117 N CA 0.664 53.714 53.050 0.001 0.000 0.912 117 N CB 0.263 38.747 38.487 -0.005 0.000 0.968 117 N HN 0.271 nan 8.380 nan 0.000 0.448 118 Q N -0.926 118.869 119.800 -0.009 0.000 2.188 118 Q HA 0.297 4.637 4.340 -0.000 0.000 0.212 118 Q C 0.303 176.286 176.000 -0.028 0.000 0.846 118 Q CA -0.092 55.700 55.803 -0.019 0.000 0.989 118 Q CB 0.847 29.572 28.738 -0.021 0.000 1.114 118 Q HN 0.272 nan 8.270 nan 0.000 0.488 119 G N 0.954 109.736 108.800 -0.030 0.000 2.131 119 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.223 119 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.223 119 G C -0.008 174.848 174.900 -0.074 0.000 0.990 119 G CA -0.029 45.047 45.100 -0.040 0.000 0.671 119 G HN 0.248 nan 8.290 nan 0.000 0.521 120 S N 0.592 116.220 115.700 -0.121 0.000 2.475 120 S HA 0.696 5.166 4.470 -0.000 0.000 0.281 120 S C 0.575 174.965 174.600 -0.350 0.000 1.198 120 S CA -0.391 57.630 58.200 -0.300 0.000 1.063 120 S CB 1.105 63.977 63.200 -0.547 0.000 0.972 120 S HN 0.648 nan 8.310 nan 0.000 0.486 121 I N 0.440 120.817 120.570 -0.321 0.000 2.498 121 I HA 0.632 4.802 4.170 -0.000 0.000 0.301 121 I C -1.038 174.885 176.117 -0.323 0.000 0.984 121 I CA -0.828 60.365 61.300 -0.178 0.000 1.204 121 I CB 0.784 38.760 38.000 -0.041 0.000 1.362 121 I HN 0.343 nan 8.210 nan 0.000 0.471 122 F N 2.442 122.390 119.950 -0.003 0.000 2.495 122 F HA 0.407 4.934 4.527 -0.000 0.000 0.327 122 F C 1.044 176.891 175.800 0.079 0.000 1.103 122 F CA -0.339 57.683 58.000 0.036 0.000 0.949 122 F CB 2.034 41.005 39.000 -0.049 0.000 1.142 122 F HN 0.525 nan 8.300 nan 0.000 0.457 123 Q N 0.300 120.266 119.800 0.277 0.000 2.392 123 Q HA 0.102 4.442 4.340 -0.000 0.000 0.219 123 Q C 0.609 176.709 176.000 0.167 0.000 0.895 123 Q CA 0.437 56.352 55.803 0.186 0.000 0.929 123 Q CB 0.795 29.623 28.738 0.151 0.000 1.077 123 Q HN 0.794 nan 8.270 nan 0.000 0.532 124 T N -2.637 112.036 114.554 0.198 0.000 2.910 124 T HA 0.363 4.713 4.350 -0.000 0.000 0.287 124 T C 0.478 175.252 174.700 0.124 0.000 1.050 124 T CA -0.537 61.651 62.100 0.147 0.000 1.011 124 T CB 1.727 70.683 68.868 0.146 0.000 1.195 124 T HN -0.022 nan 8.240 nan 0.000 0.540 125 S N -0.259 115.491 115.700 0.083 0.000 2.601 125 S HA 0.347 4.817 4.470 -0.000 0.000 0.244 125 S C 0.590 175.222 174.600 0.054 0.000 1.001 125 S CA -0.583 57.642 58.200 0.042 0.000 0.984 125 S CB -0.354 62.858 63.200 0.021 0.000 0.842 125 S HN 0.829 nan 8.310 nan 0.000 0.474 126 S N 0.931 116.688 115.700 0.096 0.000 2.592 126 S HA 0.241 4.711 4.470 -0.000 0.000 0.271 126 S C 0.527 175.203 174.600 0.126 0.000 1.326 126 S CA -0.343 57.930 58.200 0.122 0.000 1.024 126 S CB 0.617 63.895 63.200 0.130 0.000 0.921 126 S HN 0.256 nan 8.310 nan 0.000 0.527 127 D N 2.266 122.755 120.400 0.148 0.000 2.249 127 D HA 0.014 4.654 4.640 -0.000 0.000 0.205 127 D C 1.860 178.232 176.300 0.120 0.000 0.962 127 D CA 1.012 55.073 54.000 0.103 0.000 0.860 127 D CB -0.614 40.230 40.800 0.074 0.000 0.955 127 D HN 0.656 nan 8.370 nan 0.000 0.505 128 T N 0.811 115.486 114.554 0.200 0.000 2.685 128 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 128 T C 1.768 176.588 174.700 0.200 0.000 1.034 128 T CA 1.469 63.711 62.100 0.237 0.000 1.149 128 T CB -0.144 68.881 68.868 0.261 0.000 0.860 128 T HN 0.306 nan 8.240 nan 0.000 0.449 129 E N 0.295 120.661 120.200 0.276 0.000 2.072 129 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 129 E C 2.245 179.062 176.600 0.363 0.000 0.985 129 E CA 0.877 57.510 56.400 0.389 0.000 0.801 129 E CB -0.062 29.927 29.700 0.481 0.000 0.750 129 E HN 0.292 nan 8.360 nan 0.000 0.452 130 V N 1.790 121.850 119.914 0.245 0.000 2.255 130 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 130 V C 2.525 178.656 176.094 0.063 0.000 1.051 130 V CA 1.675 64.086 62.300 0.185 0.000 1.018 130 V CB -0.579 31.255 31.823 0.019 0.000 0.641 130 V HN 0.429 nan 8.190 nan 0.000 0.445 131 L N -0.150 121.024 121.223 -0.081 0.000 2.043 131 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 131 L C 2.640 179.367 176.870 -0.237 0.000 1.075 131 L CA 2.095 56.780 54.840 -0.257 0.000 0.752 131 L CB -0.666 41.080 42.059 -0.521 0.000 0.891 131 L HN 0.426 nan 8.230 nan 0.000 0.432 132 A N -0.831 121.847 122.820 -0.237 0.000 1.883 132 A HA -0.299 4.021 4.320 -0.000 0.000 0.217 132 A C 1.849 179.151 177.584 -0.471 0.000 1.186 132 A CA 2.018 53.764 52.037 -0.485 0.000 0.624 132 A CB -0.934 17.473 19.000 -0.988 0.000 0.822 132 A HN 0.572 nan 8.150 nan 0.000 0.444 133 H N -0.355 118.533 119.070 -0.303 0.000 2.353 133 H HA 0.011 4.567 4.556 -0.000 0.000 0.300 133 H C 1.883 177.098 175.328 -0.189 0.000 1.090 133 H CA 1.723 57.625 56.048 -0.244 0.000 1.327 133 H CB -0.187 29.475 29.762 -0.166 0.000 1.383 133 H HN 0.353 nan 8.280 nan 0.000 0.508 134 L N -0.148 121.048 121.223 -0.045 0.000 2.201 134 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 134 L C 1.894 178.673 176.870 -0.151 0.000 1.105 134 L CA 0.920 55.703 54.840 -0.094 0.000 0.775 134 L CB -0.241 41.747 42.059 -0.119 0.000 0.913 134 L HN 0.356 nan 8.230 nan 0.000 0.440 135 I N -0.371 120.078 120.570 -0.201 0.000 2.400 135 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 135 I C 2.597 178.607 176.117 -0.177 0.000 1.109 135 I CA 0.607 61.785 61.300 -0.204 0.000 1.425 135 I CB -0.060 37.798 38.000 -0.237 0.000 1.094 135 I HN 0.126 nan 8.210 nan 0.000 0.425 136 K N 1.837 122.116 120.400 -0.202 0.000 2.026 136 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 136 K C 1.969 178.487 176.600 -0.136 0.000 1.048 136 K CA 1.632 57.811 56.287 -0.178 0.000 0.929 136 K CB -0.222 32.136 32.500 -0.237 0.000 0.713 136 K HN 0.107 nan 8.250 nan 0.000 0.439 137 R N 0.770 121.197 120.500 -0.121 0.000 2.339 137 R HA 0.057 4.397 4.340 -0.000 0.000 0.199 137 R C 0.388 176.632 176.300 -0.093 0.000 1.018 137 R CA 0.204 56.249 56.100 -0.092 0.000 1.036 137 R CB -0.236 30.024 30.300 -0.067 0.000 0.899 137 R HN 0.096 nan 8.270 nan 0.000 0.473 138 S N -0.399 115.239 115.700 -0.103 0.000 2.565 138 S HA 0.181 4.651 4.470 -0.000 0.000 0.276 138 S C 1.427 175.956 174.600 -0.117 0.000 1.326 138 S CA -0.455 57.697 58.200 -0.080 0.000 1.045 138 S CB 1.458 64.611 63.200 -0.077 0.000 0.918 138 S HN 0.365 nan 8.310 nan 0.000 0.505 139 G N 2.998 111.718 108.800 -0.134 0.000 2.471 139 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.219 139 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.219 139 G C 0.342 174.820 174.900 -0.704 0.000 1.125 139 G CA 0.496 45.396 45.100 -0.333 0.000 0.775 139 G HN 0.813 nan 8.290 nan 0.000 0.548 140 H N -1.225 117.481 119.070 -0.608 0.000 2.745 140 H HA 0.321 4.877 4.556 -0.000 0.000 0.373 140 H C 0.850 175.758 175.328 -0.700 0.000 1.226 140 H CA 0.030 55.553 56.048 -0.875 0.000 1.435 140 H CB 0.493 30.029 29.762 -0.376 0.000 1.461 140 H HN 0.102 nan 8.280 nan 0.000 0.616 141 F N -1.238 118.769 119.950 0.094 0.000 2.317 141 F HA 0.092 4.619 4.527 -0.000 0.000 0.293 141 F C 1.232 177.046 175.800 0.023 0.000 1.085 141 F CA 0.367 58.384 58.000 0.028 0.000 1.390 141 F CB 0.009 39.013 39.000 0.007 0.000 1.077 141 F HN 0.293 nan 8.300 nan 0.000 0.517 142 T N 2.591 117.245 114.554 0.166 0.000 2.859 142 T HA 0.221 4.571 4.350 -0.000 0.000 0.281 142 T C 1.142 175.849 174.700 0.011 0.000 1.005 142 T CA -0.524 61.623 62.100 0.078 0.000 1.025 142 T CB 1.913 70.828 68.868 0.078 0.000 0.977 142 T HN 0.027 nan 8.240 nan 0.000 0.458 143 L N 3.225 124.438 121.223 -0.017 0.000 2.021 143 L HA -0.182 4.158 4.340 -0.000 0.000 0.215 143 L C 2.479 179.305 176.870 -0.073 0.000 1.074 143 L CA 2.096 56.904 54.840 -0.054 0.000 0.760 143 L CB -0.502 41.526 42.059 -0.052 0.000 0.889 143 L HN 0.756 nan 8.230 nan 0.000 0.433 144 K N -0.115 120.251 120.400 -0.058 0.000 2.015 144 K HA -0.257 4.063 4.320 -0.000 0.000 0.216 144 K C 1.655 178.204 176.600 -0.085 0.000 1.052 144 K CA 2.296 58.543 56.287 -0.067 0.000 0.937 144 K CB -0.239 32.235 32.500 -0.043 0.000 0.719 144 K HN 0.463 nan 8.250 nan 0.000 0.446 145 D N 0.276 120.638 120.400 -0.063 0.000 2.219 145 D HA -0.137 4.503 4.640 -0.000 0.000 0.205 145 D C 2.059 178.214 176.300 -0.241 0.000 0.970 145 D CA 0.998 54.931 54.000 -0.111 0.000 0.851 145 D CB 0.081 40.888 40.800 0.012 0.000 0.943 145 D HN 0.473 nan 8.370 nan 0.000 0.488 146 Q N 0.465 120.166 119.800 -0.164 0.000 2.016 146 Q HA -0.094 4.246 4.340 -0.000 0.000 0.200 146 Q C 2.539 178.402 176.000 -0.228 0.000 0.978 146 Q CA 0.844 56.534 55.803 -0.189 0.000 0.833 146 Q CB -0.028 28.627 28.738 -0.139 0.000 0.895 146 Q HN 0.317 nan 8.270 nan 0.000 0.427 147 I N 1.062 121.505 120.570 -0.212 0.000 2.127 147 I HA -0.318 3.852 4.170 -0.000 0.000 0.241 147 I C 2.544 178.495 176.117 -0.277 0.000 1.075 147 I CA 1.274 62.422 61.300 -0.254 0.000 1.334 147 I CB -0.330 37.536 38.000 -0.224 0.000 1.040 147 I HN 0.161 nan 8.210 nan 0.000 0.405 148 K N 1.114 121.382 120.400 -0.219 0.000 2.059 148 K HA -0.262 4.058 4.320 -0.000 0.000 0.212 148 K C 1.666 178.161 176.600 -0.176 0.000 1.050 148 K CA 2.460 58.646 56.287 -0.168 0.000 0.927 148 K CB -0.147 32.289 32.500 -0.107 0.000 0.714 148 K HN 0.343 nan 8.250 nan 0.000 0.447 149 N N -0.862 117.690 118.700 -0.247 0.000 2.415 149 N HA -0.002 4.738 4.740 -0.000 0.000 0.176 149 N C 1.278 176.678 175.510 -0.182 0.000 1.042 149 N CA 0.678 53.598 53.050 -0.216 0.000 0.902 149 N CB 0.418 38.691 38.487 -0.357 0.000 0.986 149 N HN 0.068 nan 8.380 nan 0.000 0.447 150 S N 0.619 116.182 115.700 -0.229 0.000 2.371 150 S HA 0.020 4.490 4.470 -0.000 0.000 0.224 150 S C 1.838 176.279 174.600 -0.266 0.000 1.029 150 S CA 0.615 58.677 58.200 -0.229 0.000 0.978 150 S CB -0.211 62.827 63.200 -0.271 0.000 0.833 150 S HN 0.237 nan 8.310 nan 0.000 0.466 151 L N 1.868 122.874 121.223 -0.361 0.000 2.079 151 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 151 L C 2.408 179.180 176.870 -0.165 0.000 1.081 151 L CA 1.043 55.605 54.840 -0.463 0.000 0.752 151 L CB -0.793 40.756 42.059 -0.850 0.000 0.896 151 L HN 0.298 nan 8.230 nan 0.000 0.433 152 S N -0.368 115.307 115.700 -0.042 0.000 2.440 152 S HA -0.168 4.302 4.470 -0.000 0.000 0.238 152 S C 1.730 176.372 174.600 0.070 0.000 1.010 152 S CA 1.360 59.624 58.200 0.108 0.000 0.972 152 S CB -0.276 62.969 63.200 0.076 0.000 0.774 152 S HN 0.433 nan 8.310 nan 0.000 0.501 153 M N 0.685 120.280 119.600 -0.010 0.000 2.495 153 M HA 0.255 4.735 4.480 -0.000 0.000 0.237 153 M C -0.268 176.034 176.300 0.004 0.000 1.131 153 M CA 0.346 55.639 55.300 -0.010 0.000 1.032 153 M CB -0.079 32.490 32.600 -0.052 0.000 1.513 153 M HN 0.154 nan 8.290 nan 0.000 0.488 154 L N 0.740 121.971 121.223 0.014 0.000 2.307 154 L HA 0.373 4.713 4.340 -0.000 0.000 0.282 154 L C -0.229 176.779 176.870 0.230 0.000 1.051 154 L CA -0.612 54.250 54.840 0.038 0.000 0.804 154 L CB 0.954 42.884 42.059 -0.214 0.000 1.197 154 L HN -0.131 nan 8.230 nan 0.000 0.431 155 K N 1.793 122.339 120.400 0.244 0.000 2.358 155 K HA 0.806 5.126 4.320 -0.000 0.000 0.260 155 K C -0.048 176.758 176.600 0.343 0.000 0.956 155 K CA 0.048 56.520 56.287 0.308 0.000 0.834 155 K CB 1.766 34.472 32.500 0.345 0.000 1.102 155 K HN 0.765 nan 8.250 nan 0.000 0.431 156 G N 1.165 110.173 108.800 0.346 0.000 2.270 156 G HA2 0.267 4.227 3.960 -0.000 0.000 0.268 156 G HA3 0.267 4.227 3.960 -0.000 0.000 0.268 156 G C -1.448 173.600 174.900 0.246 0.000 1.312 156 G CA -0.459 44.855 45.100 0.357 0.000 1.050 156 G HN 0.661 nan 8.290 nan 0.000 0.474 157 A N -0.250 122.731 122.820 0.268 0.000 2.309 157 A HA 0.912 5.232 4.320 -0.000 0.000 0.298 157 A C -0.550 177.172 177.584 0.230 0.000 1.165 157 A CA 0.451 52.533 52.037 0.074 0.000 0.821 157 A CB 0.243 19.292 19.000 0.081 0.000 1.102 157 A HN 2.202 nan 8.150 nan 0.000 0.500 158 Y N -1.588 118.760 120.300 0.079 0.000 2.409 158 Y HA 0.633 5.183 4.550 -0.000 0.000 0.321 158 Y C -0.669 175.189 175.900 -0.071 0.000 1.209 158 Y CA -0.975 57.128 58.100 0.005 0.000 1.086 158 Y CB 0.760 39.166 38.460 -0.090 0.000 1.320 158 Y HN 0.995 nan 8.280 nan 0.000 0.440 159 A N 3.969 126.785 122.820 -0.006 0.000 2.410 159 A HA 0.786 5.106 4.320 -0.000 0.000 0.289 159 A C -2.059 175.534 177.584 0.014 0.000 1.200 159 A CA -0.480 51.585 52.037 0.047 0.000 0.751 159 A CB 0.154 19.158 19.000 0.006 0.000 1.161 159 A HN 0.555 nan 8.150 nan 0.000 0.459 160 F N 1.698 121.815 119.950 0.278 0.000 2.469 160 F HA 0.607 5.134 4.527 -0.000 0.000 0.332 160 F C 0.066 175.946 175.800 0.133 0.000 1.103 160 F CA -0.748 57.371 58.000 0.198 0.000 0.979 160 F CB 1.996 41.056 39.000 0.101 0.000 1.137 160 F HN 0.354 nan 8.300 nan 0.000 0.463 161 L N 5.265 126.695 121.223 0.344 0.000 2.319 161 L HA 0.557 4.897 4.340 -0.000 0.000 0.281 161 L C -0.912 176.072 176.870 0.190 0.000 1.005 161 L CA -0.517 54.457 54.840 0.222 0.000 0.828 161 L CB 1.624 43.798 42.059 0.192 0.000 1.227 161 L HN 0.514 nan 8.230 nan 0.000 0.415 162 I N 3.866 124.507 120.570 0.118 0.000 2.474 162 I HA 0.534 4.704 4.170 -0.000 0.000 0.294 162 I C -0.272 175.885 176.117 0.066 0.000 1.005 162 I CA -0.144 61.198 61.300 0.070 0.000 1.113 162 I CB 2.140 40.134 38.000 -0.009 0.000 1.289 162 I HN 0.585 nan 8.210 nan 0.000 0.436 163 M N 5.371 125.022 119.600 0.085 0.000 2.378 163 M HA 0.479 4.959 4.480 -0.000 0.000 0.289 163 M C -0.712 175.647 176.300 0.100 0.000 1.136 163 M CA -0.290 55.072 55.300 0.105 0.000 0.917 163 M CB 2.136 34.842 32.600 0.176 0.000 1.669 163 M HN 0.803 nan 8.290 nan 0.000 0.461 164 T N -0.467 114.141 114.554 0.090 0.000 2.735 164 T HA 0.490 4.840 4.350 -0.000 0.000 0.262 164 T C 0.481 175.266 174.700 0.142 0.000 0.955 164 T CA -0.416 61.736 62.100 0.086 0.000 1.022 164 T CB 0.799 69.689 68.868 0.037 0.000 1.455 164 T HN 0.648 nan 8.240 nan 0.000 0.583 165 E N 0.387 120.664 120.200 0.127 0.000 2.409 165 E HA 0.084 4.434 4.350 -0.000 0.000 0.198 165 E C 1.518 178.270 176.600 0.254 0.000 1.024 165 E CA 1.455 57.954 56.400 0.165 0.000 0.861 165 E CB -0.178 29.593 29.700 0.117 0.000 0.788 165 E HN 0.834 nan 8.360 nan 0.000 0.521 166 T N -3.317 111.359 114.554 0.203 0.000 3.009 166 T HA 0.266 4.616 4.350 -0.000 0.000 0.267 166 T C 0.117 174.736 174.700 -0.136 0.000 0.942 166 T CA -0.437 61.779 62.100 0.193 0.000 0.883 166 T CB 0.483 69.407 68.868 0.093 0.000 1.192 166 T HN -0.062 nan 8.240 nan 0.000 0.524 167 E N 0.667 120.688 120.200 -0.300 0.000 2.433 167 E HA 0.685 5.035 4.350 -0.000 0.000 0.278 167 E C -1.458 174.892 176.600 -0.417 0.000 0.976 167 E CA -0.863 55.162 56.400 -0.625 0.000 0.793 167 E CB 2.204 31.688 29.700 -0.360 0.000 1.311 167 E HN 0.195 nan 8.360 nan 0.000 0.460 168 M N 1.925 121.259 119.600 -0.444 0.000 2.259 168 M HA 0.545 5.025 4.480 -0.000 0.000 0.304 168 M C -1.952 174.259 176.300 -0.148 0.000 1.019 168 M CA -0.665 54.543 55.300 -0.154 0.000 0.922 168 M CB 0.965 33.554 32.600 -0.018 0.000 1.600 168 M HN 0.597 nan 8.290 nan 0.000 0.433 169 I N 4.894 125.421 120.570 -0.071 0.000 2.404 169 I HA 0.521 4.691 4.170 -0.000 0.000 0.293 169 I C -0.812 175.312 176.117 0.011 0.000 0.992 169 I CA -0.553 60.713 61.300 -0.056 0.000 1.149 169 I CB 2.065 40.024 38.000 -0.070 0.000 1.315 169 I HN 0.397 nan 8.210 nan 0.000 0.446 170 V N 5.150 125.081 119.914 0.028 0.000 2.628 170 V HA 0.929 5.049 4.120 -0.000 0.000 0.306 170 V C -0.258 175.912 176.094 0.126 0.000 1.045 170 V CA -0.514 61.840 62.300 0.090 0.000 0.905 170 V CB 1.728 33.591 31.823 0.067 0.000 0.997 170 V HN 0.845 nan 8.190 nan 0.000 0.436 171 A N 4.205 127.150 122.820 0.207 0.000 2.517 171 A HA 0.839 5.159 4.320 -0.000 0.000 0.297 171 A C -1.865 175.933 177.584 0.355 0.000 1.050 171 A CA -0.431 51.773 52.037 0.278 0.000 0.694 171 A CB 1.686 20.804 19.000 0.197 0.000 1.277 171 A HN 0.826 nan 8.150 nan 0.000 0.400 172 L N 2.020 123.465 121.223 0.371 0.000 2.365 172 L HA 0.659 4.999 4.340 -0.000 0.000 0.273 172 L C -0.189 176.781 176.870 0.167 0.000 1.000 172 L CA -0.361 54.602 54.840 0.206 0.000 0.819 172 L CB 1.643 43.766 42.059 0.108 0.000 1.284 172 L HN 0.914 nan 8.230 nan 0.000 0.418 173 D N 4.302 124.532 120.400 -0.283 0.000 2.378 173 D HA 0.132 4.772 4.640 -0.000 0.000 0.238 173 D C -2.088 174.099 176.300 -0.188 0.000 1.180 173 D CA -0.951 52.731 54.000 -0.530 0.000 0.895 173 D CB 0.363 40.495 40.800 -1.115 0.000 1.192 173 D HN 0.450 nan 8.370 nan 0.000 0.438 174 P HA -0.050 nan 4.420 nan 0.000 0.231 174 P C -0.221 176.990 177.300 -0.149 0.000 1.158 174 P CA 0.823 63.824 63.100 -0.164 0.000 0.763 174 P CB 0.071 31.692 31.700 -0.131 0.000 0.805 175 N N -1.656 116.944 118.700 -0.167 0.000 2.205 175 N HA 0.185 4.925 4.740 -0.000 0.000 0.201 175 N C 1.025 176.435 175.510 -0.167 0.000 1.128 175 N CA 0.519 53.469 53.050 -0.167 0.000 0.867 175 N CB -0.387 37.985 38.487 -0.192 0.000 0.996 175 N HN -0.054 nan 8.380 nan 0.000 0.503 176 G N 1.278 109.983 108.800 -0.159 0.000 2.390 176 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.299 176 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.299 176 G C 0.813 175.636 174.900 -0.127 0.000 1.002 176 G CA 0.367 45.393 45.100 -0.123 0.000 0.979 176 G HN 0.363 nan 8.290 nan 0.000 0.513 177 L N -1.769 119.347 121.223 -0.178 0.000 2.079 177 L HA -0.020 4.319 4.340 -0.000 0.000 0.210 177 L C 1.836 178.634 176.870 -0.121 0.000 1.081 177 L CA 1.178 55.907 54.840 -0.185 0.000 0.752 177 L CB -0.144 41.733 42.059 -0.304 0.000 0.896 177 L HN 0.245 nan 8.230 nan 0.000 0.433 178 R N -0.319 120.116 120.500 -0.108 0.000 2.711 178 R HA 0.415 4.755 4.340 -0.000 0.000 0.284 178 R C -2.388 173.884 176.300 -0.047 0.000 0.968 178 R CA -2.742 53.312 56.100 -0.077 0.000 0.924 178 R CB 0.393 30.641 30.300 -0.087 0.000 1.162 178 R HN -0.180 nan 8.270 nan 0.000 0.465 179 P HA 0.350 nan 4.420 nan 0.000 0.278 179 P C -0.717 176.592 177.300 0.016 0.000 1.238 179 P CA -0.289 62.806 63.100 -0.008 0.000 0.794 179 P CB 1.258 32.942 31.700 -0.027 0.000 0.955 180 L N 1.424 122.675 121.223 0.046 0.000 2.482 180 L HA 0.401 4.741 4.340 -0.000 0.000 0.263 180 L C -0.404 176.540 176.870 0.123 0.000 0.957 180 L CA -0.317 54.568 54.840 0.075 0.000 0.836 180 L CB 2.414 44.525 42.059 0.086 0.000 1.324 180 L HN 0.371 nan 8.230 nan 0.000 0.406 181 S N 2.820 118.624 115.700 0.173 0.000 2.548 181 S HA 0.713 5.183 4.470 -0.000 0.000 0.286 181 S C -0.780 174.086 174.600 0.443 0.000 1.098 181 S CA -0.555 57.830 58.200 0.308 0.000 0.930 181 S CB 2.311 65.732 63.200 0.369 0.000 1.070 181 S HN 0.350 nan 8.310 nan 0.000 0.480 182 I N 1.525 122.279 120.570 0.306 0.000 2.493 182 I HA 0.757 4.927 4.170 -0.000 0.000 0.298 182 I C 0.619 176.645 176.117 -0.151 0.000 0.998 182 I CA -0.353 61.033 61.300 0.144 0.000 1.137 182 I CB 1.972 39.999 38.000 0.045 0.000 1.310 182 I HN 0.757 nan 8.210 nan 0.000 0.445 183 G N 5.549 114.034 108.800 -0.525 0.000 2.798 183 G HA2 0.773 4.733 3.960 -0.000 0.000 0.286 183 G HA3 0.773 4.733 3.960 -0.000 0.000 0.286 183 G C -1.279 173.333 174.900 -0.480 0.000 1.389 183 G CA -0.667 43.906 45.100 -0.878 0.000 0.894 183 G HN 0.334 nan 8.290 nan 0.000 0.488 184 M N 0.981 120.345 119.600 -0.394 0.000 2.393 184 M HA 0.453 4.933 4.480 -0.000 0.000 0.299 184 M C -1.102 175.084 176.300 -0.189 0.000 1.103 184 M CA -0.555 54.571 55.300 -0.291 0.000 0.910 184 M CB 2.393 34.819 32.600 -0.289 0.000 1.659 184 M HN 0.581 nan 8.290 nan 0.000 0.445 185 M N 3.287 122.817 119.600 -0.117 0.000 1.960 185 M HA 0.466 4.946 4.480 -0.000 0.000 0.271 185 M C 0.273 176.571 176.300 -0.003 0.000 0.862 185 M CA 0.390 55.681 55.300 -0.016 0.000 0.854 185 M CB 0.534 33.174 32.600 0.066 0.000 1.575 185 M HN 0.985 nan 8.290 nan 0.000 0.375 186 G N 3.868 112.644 108.800 -0.040 0.000 2.609 186 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.288 186 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.288 186 G C -0.053 174.789 174.900 -0.097 0.000 1.211 186 G CA 0.774 45.843 45.100 -0.051 0.000 0.963 186 G HN 0.702 nan 8.290 nan 0.000 0.541 187 D N 1.575 121.922 120.400 -0.088 0.000 2.441 187 D HA 0.560 5.200 4.640 -0.000 0.000 0.210 187 D C 0.964 177.200 176.300 -0.108 0.000 1.102 187 D CA 0.639 54.571 54.000 -0.115 0.000 0.840 187 D CB 0.713 41.483 40.800 -0.051 0.000 0.990 187 D HN 0.755 nan 8.370 nan 0.000 0.505 188 A N 0.703 123.499 122.820 -0.040 0.000 2.409 188 A HA 0.354 4.674 4.320 -0.000 0.000 0.262 188 A C -0.841 176.730 177.584 -0.020 0.000 1.113 188 A CA -0.177 51.898 52.037 0.064 0.000 0.790 188 A CB -0.038 19.053 19.000 0.150 0.000 1.046 188 A HN 0.087 nan 8.150 nan 0.000 0.496 189 Y N 1.028 121.388 120.300 0.101 0.000 2.299 189 Y HA 0.468 5.018 4.550 -0.000 0.000 0.326 189 Y C 0.496 176.407 175.900 0.018 0.000 1.164 189 Y CA 0.118 58.240 58.100 0.037 0.000 1.234 189 Y CB 1.582 40.075 38.460 0.054 0.000 1.219 189 Y HN 0.488 nan 8.280 nan 0.000 0.497 190 V N 3.972 123.935 119.914 0.082 0.000 2.841 190 V HA 0.744 4.864 4.120 -0.000 0.000 0.310 190 V C -1.647 174.449 176.094 0.004 0.000 1.090 190 V CA -0.695 61.576 62.300 -0.049 0.000 0.930 190 V CB 2.119 33.904 31.823 -0.064 0.000 1.014 190 V HN 0.492 nan 8.190 nan 0.000 0.425 191 V N 5.268 125.143 119.914 -0.065 0.000 2.588 191 V HA 0.995 5.115 4.120 -0.000 0.000 0.304 191 V C -0.008 176.094 176.094 0.013 0.000 1.042 191 V CA 0.108 62.464 62.300 0.094 0.000 0.877 191 V CB 1.461 33.315 31.823 0.051 0.000 0.996 191 V HN 1.307 nan 8.190 nan 0.000 0.425 192 A N 2.789 125.686 122.820 0.128 0.000 2.594 192 A HA 0.679 4.999 4.320 -0.000 0.000 0.295 192 A C 0.668 178.243 177.584 -0.015 0.000 1.071 192 A CA -0.137 51.924 52.037 0.039 0.000 0.685 192 A CB 1.779 20.787 19.000 0.013 0.000 1.285 192 A HN 0.647 nan 8.150 nan 0.000 0.405 193 S N 0.160 115.868 115.700 0.012 0.000 2.400 193 S HA -0.059 4.411 4.470 -0.000 0.000 0.232 193 S C 0.611 175.177 174.600 -0.057 0.000 1.025 193 S CA 1.625 59.819 58.200 -0.009 0.000 0.993 193 S CB -0.113 63.087 63.200 -0.002 0.000 0.808 193 S HN 0.702 nan 8.310 nan 0.000 0.478 194 E N -0.492 119.641 120.200 -0.111 0.000 2.343 194 E HA 0.260 4.610 4.350 -0.000 0.000 0.270 194 E C 0.354 176.772 176.600 -0.304 0.000 0.895 194 E CA -0.148 56.166 56.400 -0.144 0.000 0.767 194 E CB 1.590 31.242 29.700 -0.081 0.000 1.248 194 E HN 0.202 nan 8.360 nan 0.000 0.440 195 T N -2.954 111.434 114.554 -0.276 0.000 3.085 195 T HA -0.091 4.259 4.350 -0.000 0.000 0.263 195 T C 2.045 176.628 174.700 -0.195 0.000 1.127 195 T CA 0.796 62.667 62.100 -0.381 0.000 1.103 195 T CB -0.833 67.988 68.868 -0.079 0.000 0.921 195 T HN 0.694 nan 8.240 nan 0.000 0.510 196 C N 1.799 121.028 119.300 -0.118 0.000 2.403 196 C HA 0.159 4.619 4.460 -0.000 0.000 0.277 196 C C 3.092 178.076 174.990 -0.011 0.000 1.248 196 C CA 0.157 59.146 59.018 -0.049 0.000 1.762 196 C CB -1.805 25.898 27.740 -0.061 0.000 2.014 196 C HN 0.639 nan 8.230 nan 0.000 0.486 197 A N 0.931 123.725 122.820 -0.044 0.000 1.917 197 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 197 A C 1.912 179.642 177.584 0.244 0.000 1.182 197 A CA 2.021 54.087 52.037 0.049 0.000 0.633 197 A CB -0.890 18.164 19.000 0.090 0.000 0.819 197 A HN 0.556 nan 8.150 nan 0.000 0.448 198 F N 0.616 120.689 119.950 0.205 0.000 2.134 198 F HA -0.102 4.425 4.527 -0.000 0.000 0.299 198 F C 2.041 177.915 175.800 0.123 0.000 1.097 198 F CA 1.059 59.174 58.000 0.192 0.000 1.264 198 F CB -1.353 37.760 39.000 0.188 0.000 1.001 198 F HN 0.239 nan 8.300 nan 0.000 0.479 199 D N 0.232 120.783 120.400 0.252 0.000 2.092 199 D HA -0.156 4.484 4.640 -0.000 0.000 0.193 199 D C 2.501 178.859 176.300 0.096 0.000 0.994 199 D CA 1.297 55.382 54.000 0.141 0.000 0.828 199 D CB -0.743 40.106 40.800 0.080 0.000 0.963 199 D HN 0.035 nan 8.370 nan 0.000 0.450 200 V N -0.021 119.942 119.914 0.082 0.000 2.568 200 V HA -0.146 3.974 4.120 -0.000 0.000 0.253 200 V C 2.066 178.185 176.094 0.042 0.000 1.072 200 V CA 1.097 63.424 62.300 0.045 0.000 1.084 200 V CB -0.005 31.843 31.823 0.041 0.000 0.676 200 V HN 0.100 nan 8.190 nan 0.000 0.469 201 V N -1.089 118.886 119.914 0.100 0.000 3.635 201 V HA 0.458 4.578 4.120 -0.000 0.000 0.266 201 V C 1.386 177.536 176.094 0.094 0.000 1.316 201 V CA 1.033 63.388 62.300 0.091 0.000 1.060 201 V CB 0.699 32.619 31.823 0.162 0.000 0.820 201 V HN 0.672 nan 8.190 nan 0.000 0.447 202 G N 0.796 109.664 108.800 0.113 0.000 2.141 202 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.195 202 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.195 202 G C 0.066 175.021 174.900 0.091 0.000 1.012 202 G CA 0.135 45.287 45.100 0.087 0.000 0.696 202 G HN 1.035 nan 8.290 nan 0.000 0.508 203 A N 0.154 123.053 122.820 0.131 0.000 2.301 203 A HA 0.848 5.168 4.320 -0.000 0.000 0.312 203 A C 0.493 178.086 177.584 0.015 0.000 1.182 203 A CA 0.388 52.449 52.037 0.039 0.000 0.826 203 A CB 0.863 19.886 19.000 0.037 0.000 1.134 203 A HN 0.843 nan 8.150 nan 0.000 0.501 204 T N 2.128 116.641 114.554 -0.068 0.000 2.767 204 T HA 0.347 4.697 4.350 -0.000 0.000 0.288 204 T C -0.220 174.439 174.700 -0.068 0.000 0.963 204 T CA -0.020 62.074 62.100 -0.010 0.000 1.019 204 T CB 0.286 69.146 68.868 -0.013 0.000 0.923 204 T HN 0.472 nan 8.240 nan 0.000 0.468 205 Y N 3.469 123.745 120.300 -0.041 0.000 2.805 205 Y HA 0.155 4.705 4.550 -0.000 0.000 0.337 205 Y C 0.657 176.540 175.900 -0.029 0.000 1.252 205 Y CA -0.102 58.002 58.100 0.006 0.000 1.515 205 Y CB 0.386 38.944 38.460 0.164 0.000 1.305 205 Y HN 0.596 nan 8.280 nan 0.000 0.600 206 L N 4.820 125.580 121.223 -0.771 0.000 2.614 206 L HA 0.447 4.787 4.340 -0.000 0.000 0.185 206 L C -0.477 175.889 176.870 -0.840 0.000 1.098 206 L CA 0.820 55.314 54.840 -0.578 0.000 0.852 206 L CB 0.066 41.932 42.059 -0.321 0.000 1.213 206 L HN 0.846 nan 8.230 nan 0.000 0.491 207 R N -1.298 118.642 120.500 -0.933 0.000 2.828 207 R HA 0.341 4.681 4.340 -0.000 0.000 0.280 207 R C -1.345 174.882 176.300 -0.121 0.000 1.020 207 R CA -0.827 55.026 56.100 -0.412 0.000 0.855 207 R CB 0.353 30.577 30.300 -0.126 0.000 1.278 207 R HN -0.198 nan 8.270 nan 0.000 0.495 208 E N 0.911 121.184 120.200 0.121 0.000 2.349 208 E HA 0.234 4.584 4.350 -0.000 0.000 0.262 208 E C -0.124 176.535 176.600 0.099 0.000 1.088 208 E CA -0.763 55.737 56.400 0.167 0.000 0.899 208 E CB 1.418 31.231 29.700 0.189 0.000 1.044 208 E HN 0.325 nan 8.360 nan 0.000 0.420 209 V N 3.050 123.024 119.914 0.100 0.000 2.479 209 V HA -0.035 4.085 4.120 -0.000 0.000 0.281 209 V C 0.783 176.915 176.094 0.064 0.000 1.031 209 V CA -0.074 62.273 62.300 0.079 0.000 1.038 209 V CB 0.423 32.301 31.823 0.091 0.000 0.981 209 V HN 0.431 nan 8.190 nan 0.000 0.478 210 E N 6.310 126.538 120.200 0.047 0.000 2.415 210 E HA 0.168 4.518 4.350 -0.000 0.000 0.262 210 E C -2.286 174.313 176.600 -0.001 0.000 1.038 210 E CA -1.930 54.483 56.400 0.022 0.000 0.921 210 E CB 0.490 30.196 29.700 0.011 0.000 0.950 210 E HN 0.437 nan 8.360 nan 0.000 0.438 211 P HA 0.056 nan 4.420 nan 0.000 0.268 211 P C 0.487 177.692 177.300 -0.158 0.000 1.205 211 P CA 0.554 63.606 63.100 -0.081 0.000 0.771 211 P CB 0.492 32.125 31.700 -0.111 0.000 0.858 212 G N 0.768 109.418 108.800 -0.250 0.000 2.153 212 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.252 212 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.252 212 G C 0.038 174.577 174.900 -0.602 0.000 0.994 212 G CA 0.131 44.758 45.100 -0.788 0.000 0.698 212 G HN 0.672 nan 8.290 nan 0.000 0.521 213 E N -0.216 119.940 120.200 -0.073 0.000 2.207 213 E HA 0.749 5.099 4.350 -0.000 0.000 0.270 213 E C 0.429 177.220 176.600 0.319 0.000 0.927 213 E CA -1.180 55.275 56.400 0.092 0.000 0.799 213 E CB 0.699 30.429 29.700 0.049 0.000 1.172 213 E HN 0.552 nan 8.360 nan 0.000 0.404 214 M N 2.724 122.484 119.600 0.267 0.000 2.457 214 M HA 0.508 4.988 4.480 -0.000 0.000 0.300 214 M C -1.750 174.597 176.300 0.078 0.000 1.141 214 M CA -0.819 54.599 55.300 0.196 0.000 0.901 214 M CB 1.736 34.442 32.600 0.177 0.000 1.687 214 M HN 0.253 nan 8.290 nan 0.000 0.449 215 L N 3.466 124.708 121.223 0.031 0.000 2.362 215 L HA 0.736 5.076 4.340 -0.000 0.000 0.271 215 L C -1.309 175.511 176.870 -0.083 0.000 1.002 215 L CA -0.942 53.877 54.840 -0.036 0.000 0.818 215 L CB 2.167 44.194 42.059 -0.053 0.000 1.298 215 L HN 0.710 nan 8.230 nan 0.000 0.420 216 I N 3.540 124.030 120.570 -0.133 0.000 2.411 216 I HA 0.419 4.589 4.170 -0.000 0.000 0.284 216 I C -0.392 175.563 176.117 -0.270 0.000 1.012 216 I CA 0.089 61.284 61.300 -0.176 0.000 1.119 216 I CB 1.682 39.599 38.000 -0.138 0.000 1.261 216 I HN 0.364 nan 8.210 nan 0.000 0.448 217 I N 7.187 127.544 120.570 -0.354 0.000 2.377 217 I HA 0.521 4.691 4.170 -0.000 0.000 0.293 217 I C -0.331 175.340 176.117 -0.744 0.000 0.987 217 I CA -0.244 60.763 61.300 -0.489 0.000 1.185 217 I CB 1.270 39.029 38.000 -0.402 0.000 1.341 217 I HN 0.795 nan 8.210 nan 0.000 0.455 218 N N 2.177 120.465 118.700 -0.686 0.000 3.378 218 N HA 0.213 4.953 4.740 -0.000 0.000 0.294 218 N C -0.301 175.118 175.510 -0.153 0.000 1.544 218 N CA -0.755 51.798 53.050 -0.829 0.000 0.872 218 N CB 0.499 38.701 38.487 -0.474 0.000 1.670 218 N HN 0.253 nan 8.380 nan 0.000 0.551 219 D N -0.541 119.983 120.400 0.206 0.000 2.218 219 D HA -0.174 4.466 4.640 -0.000 0.000 0.204 219 D C 1.233 177.632 176.300 0.165 0.000 0.976 219 D CA 1.017 55.209 54.000 0.320 0.000 0.853 219 D CB 0.059 41.039 40.800 0.300 0.000 0.939 219 D HN 0.671 nan 8.370 nan 0.000 0.481 220 E N 1.486 121.731 120.200 0.075 0.000 2.153 220 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 220 E C 1.037 177.676 176.600 0.065 0.000 0.988 220 E CA 1.483 57.913 56.400 0.051 0.000 0.811 220 E CB 0.227 29.932 29.700 0.008 0.000 0.746 220 E HN 0.252 nan 8.360 nan 0.000 0.466 221 G N 0.258 109.088 108.800 0.051 0.000 2.236 221 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.231 221 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.231 221 G C -1.098 173.705 174.900 -0.162 0.000 1.334 221 G CA -0.117 45.029 45.100 0.076 0.000 1.137 221 G HN 0.244 nan 8.290 nan 0.000 0.482 222 M N 0.548 120.006 119.600 -0.237 0.000 2.383 222 M HA 0.689 5.169 4.480 -0.000 0.000 0.325 222 M C -0.974 175.213 176.300 -0.189 0.000 1.092 222 M CA -0.860 54.206 55.300 -0.390 0.000 0.961 222 M CB 1.709 33.863 32.600 -0.743 0.000 1.672 222 M HN 0.445 nan 8.290 nan 0.000 0.438 223 K N 1.932 122.234 120.400 -0.164 0.000 2.267 223 K HA 0.616 4.936 4.320 -0.000 0.000 0.246 223 K C -1.521 175.034 176.600 -0.074 0.000 0.954 223 K CA -0.389 55.842 56.287 -0.093 0.000 0.824 223 K CB 2.242 34.693 32.500 -0.082 0.000 1.167 223 K HN 0.737 nan 8.250 nan 0.000 0.431 224 S N 1.230 116.907 115.700 -0.038 0.000 2.548 224 S HA 0.509 4.979 4.470 -0.000 0.000 0.276 224 S C -1.570 173.032 174.600 0.003 0.000 1.129 224 S CA -0.596 57.595 58.200 -0.016 0.000 0.931 224 S CB 0.956 64.149 63.200 -0.012 0.000 1.068 224 S HN 0.507 nan 8.310 nan 0.000 0.480 225 E N 1.292 121.507 120.200 0.026 0.000 2.367 225 E HA 0.433 4.783 4.350 -0.000 0.000 0.273 225 E C -1.413 175.225 176.600 0.063 0.000 0.903 225 E CA -0.994 55.429 56.400 0.037 0.000 0.764 225 E CB 1.736 31.460 29.700 0.041 0.000 1.252 225 E HN 0.383 nan 8.360 nan 0.000 0.446 226 R N 1.929 122.450 120.500 0.035 0.000 2.215 226 R HA 0.209 4.549 4.340 -0.000 0.000 0.336 226 R C 0.074 176.387 176.300 0.021 0.000 0.996 226 R CA -0.347 55.745 56.100 -0.014 0.000 0.847 226 R CB -0.145 30.122 30.300 -0.055 0.000 1.127 226 R HN 0.623 nan 8.270 nan 0.000 0.465 227 F N 0.566 120.527 119.950 0.019 0.000 2.661 227 F HA 0.315 4.842 4.527 0.000 0.000 0.298 227 F C 0.326 176.142 175.800 0.026 0.000 1.137 227 F CA -0.377 57.633 58.000 0.017 0.000 1.454 227 F CB 0.308 39.324 39.000 0.027 0.000 1.103 227 F HN 0.308 nan 8.300 nan 0.000 0.577 228 S N -0.298 115.078 115.700 -0.539 0.000 2.546 228 S HA 0.529 4.999 4.470 -0.000 0.000 0.272 228 S C -0.115 174.320 174.600 -0.275 0.000 1.140 228 S CA -0.723 57.254 58.200 -0.373 0.000 0.920 228 S CB 1.407 64.328 63.200 -0.466 0.000 1.083 228 S HN 0.166 nan 8.310 nan 0.000 0.476 229 M N 3.185 122.699 119.600 -0.144 0.000 2.567 229 M HA 0.341 4.821 4.480 -0.000 0.000 0.261 229 M C 0.766 177.012 176.300 -0.089 0.000 1.180 229 M CA 0.387 55.626 55.300 -0.103 0.000 1.143 229 M CB -0.375 32.191 32.600 -0.056 0.000 1.319 229 M HN 0.631 nan 8.290 nan 0.000 0.490 230 N N 2.356 121.008 118.700 -0.080 0.000 2.605 230 N HA 0.354 5.094 4.740 -0.000 0.000 0.258 230 N C -0.934 174.532 175.510 -0.074 0.000 1.156 230 N CA -0.276 52.741 53.050 -0.055 0.000 1.008 230 N CB 0.002 38.472 38.487 -0.027 0.000 1.354 230 N HN 0.312 nan 8.380 nan 0.000 0.509 231 I N -0.370 120.150 120.570 -0.084 0.000 2.562 231 I HA 0.495 4.665 4.170 -0.000 0.000 0.301 231 I C -0.714 175.353 176.117 -0.084 0.000 1.003 231 I CA -0.819 60.421 61.300 -0.099 0.000 1.127 231 I CB 2.078 40.002 38.000 -0.125 0.000 1.304 231 I HN 0.323 nan 8.210 nan 0.000 0.446 232 N N 5.030 123.674 118.700 -0.095 0.000 2.648 232 N HA 0.291 5.031 4.740 -0.000 0.000 0.261 232 N C -0.981 174.454 175.510 -0.126 0.000 1.138 232 N CA -0.686 52.309 53.050 -0.093 0.000 0.804 232 N CB 1.068 39.514 38.487 -0.069 0.000 1.237 232 N HN 0.733 nan 8.380 nan 0.000 0.532 233 R N 1.796 122.198 120.500 -0.163 0.000 2.458 233 R HA 0.026 4.366 4.340 -0.000 0.000 0.303 233 R C -0.619 175.568 176.300 -0.187 0.000 1.013 233 R CA 0.601 56.571 56.100 -0.217 0.000 1.026 233 R CB 0.281 30.356 30.300 -0.375 0.000 0.948 233 R HN 0.624 nan 8.270 nan 0.000 0.417 234 S N 4.403 120.009 115.700 -0.157 0.000 2.413 234 S HA 0.183 4.653 4.470 -0.000 0.000 0.170 234 S C -0.293 174.248 174.600 -0.098 0.000 1.294 234 S CA -0.913 57.216 58.200 -0.118 0.000 1.201 234 S CB 0.140 63.267 63.200 -0.122 0.000 1.328 234 S HN 0.617 nan 8.310 nan 0.000 0.418 235 I N 2.051 122.595 120.570 -0.043 0.000 2.779 235 I HA 0.328 4.498 4.170 -0.000 0.000 0.285 235 I C 0.822 176.960 176.117 0.034 0.000 1.134 235 I CA -0.468 60.832 61.300 -0.001 0.000 1.398 235 I CB 0.779 38.827 38.000 0.080 0.000 1.404 235 I HN 0.873 nan 8.210 nan 0.000 0.587 236 C N 6.269 125.578 119.300 0.015 0.000 2.601 236 C HA 0.013 4.473 4.460 -0.000 0.000 0.405 236 C C 1.869 176.947 174.990 0.148 0.000 1.441 236 C CA 0.292 59.333 59.018 0.038 0.000 1.555 236 C CB -0.757 26.979 27.740 -0.006 0.000 2.450 236 C HN 0.953 nan 8.230 nan 0.000 0.614 237 S N 4.664 120.475 115.700 0.186 0.000 2.402 237 S HA -0.107 4.363 4.470 -0.000 0.000 0.229 237 S C 1.874 176.684 174.600 0.350 0.000 1.021 237 S CA 1.228 59.617 58.200 0.315 0.000 0.974 237 S CB -0.131 63.299 63.200 0.383 0.000 0.800 237 S HN 0.856 nan 8.310 nan 0.000 0.484 238 M N 1.161 120.925 119.600 0.274 0.000 2.549 238 M HA 0.064 4.544 4.480 -0.000 0.000 0.260 238 M C 1.647 178.108 176.300 0.268 0.000 1.076 238 M CA 0.756 56.229 55.300 0.288 0.000 1.090 238 M CB -0.962 31.768 32.600 0.216 0.000 1.418 238 M HN 0.219 nan 8.290 nan 0.000 0.486 239 E N -0.459 119.855 120.200 0.190 0.000 2.046 239 E HA -0.128 4.222 4.350 -0.000 0.000 0.190 239 E C 1.979 178.619 176.600 0.066 0.000 0.982 239 E CA 1.349 57.820 56.400 0.119 0.000 0.800 239 E CB -0.310 29.378 29.700 -0.020 0.000 0.756 239 E HN 0.495 nan 8.360 nan 0.000 0.449 240 Y N 0.952 121.323 120.300 0.120 0.000 2.133 240 Y HA -0.122 4.428 4.550 0.000 0.000 0.287 240 Y C 2.447 178.414 175.900 0.112 0.000 1.134 240 Y CA 1.065 59.221 58.100 0.093 0.000 1.133 240 Y CB -0.434 38.075 38.460 0.081 0.000 0.987 240 Y HN -0.028 nan 8.280 nan 0.000 0.502 241 I N -2.159 118.609 120.570 0.330 0.000 2.226 241 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 241 I C 1.822 178.129 176.117 0.317 0.000 1.100 241 I CA 2.031 63.498 61.300 0.279 0.000 1.374 241 I CB -0.116 38.062 38.000 0.296 0.000 1.057 241 I HN 0.323 nan 8.210 nan 0.000 0.413 242 Y N -1.983 118.427 120.300 0.183 0.000 2.557 242 Y HA 0.095 4.645 4.550 -0.000 0.000 0.275 242 Y C 1.573 177.588 175.900 0.190 0.000 1.163 242 Y CA -0.579 57.623 58.100 0.170 0.000 1.086 242 Y CB -0.316 38.256 38.460 0.187 0.000 1.338 242 Y HN -0.045 nan 8.280 nan 0.000 0.534 243 F N 1.486 121.262 119.950 -0.291 0.000 2.234 243 F HA 0.257 4.784 4.527 -0.000 0.000 0.296 243 F C 1.146 176.822 175.800 -0.206 0.000 1.089 243 F CA 1.057 58.819 58.000 -0.397 0.000 1.343 243 F CB -0.232 38.681 39.000 -0.145 0.000 1.040 243 F HN -0.098 nan 8.300 nan 0.000 0.498 244 S N 1.022 116.650 115.700 -0.121 0.000 2.580 244 S HA 0.215 4.685 4.470 -0.000 0.000 0.274 244 S C 0.230 174.699 174.600 -0.219 0.000 1.329 244 S CA -0.689 57.428 58.200 -0.138 0.000 1.036 244 S CB 0.766 63.910 63.200 -0.094 0.000 0.919 244 S HN 0.137 nan 8.310 nan 0.000 0.515 245 R N 1.625 121.948 120.500 -0.295 0.000 2.734 245 R HA 0.040 4.380 4.340 -0.000 0.000 0.266 245 R C -1.889 174.295 176.300 -0.194 0.000 1.044 245 R CA -1.230 54.626 56.100 -0.408 0.000 1.128 245 R CB -0.000 30.004 30.300 -0.493 0.000 1.010 245 R HN 0.384 nan 8.270 nan 0.000 0.461 246 P HA -0.060 nan 4.420 nan 0.000 0.237 246 P C -0.269 177.025 177.300 -0.009 0.000 1.178 246 P CA 0.854 63.933 63.100 -0.035 0.000 0.766 246 P CB 0.241 31.937 31.700 -0.007 0.000 0.876 247 D N -2.737 117.630 120.400 -0.056 0.000 2.369 247 D HA 0.067 4.707 4.640 -0.000 0.000 0.211 247 D C 0.192 176.465 176.300 -0.045 0.000 1.077 247 D CA 0.187 54.164 54.000 -0.038 0.000 0.842 247 D CB -0.284 40.487 40.800 -0.048 0.000 0.947 247 D HN -0.056 nan 8.370 nan 0.000 0.509 248 S N 0.811 116.472 115.700 -0.066 0.000 2.601 248 S HA 0.313 4.783 4.470 -0.000 0.000 0.271 248 S C 0.028 174.586 174.600 -0.070 0.000 1.305 248 S CA -0.603 57.550 58.200 -0.079 0.000 1.022 248 S CB 0.773 63.915 63.200 -0.097 0.000 0.940 248 S HN 0.131 nan 8.310 nan 0.000 0.525 249 N N 1.761 120.410 118.700 -0.085 0.000 2.417 249 N HA 0.415 5.155 4.740 -0.000 0.000 0.274 249 N C -1.098 174.360 175.510 -0.087 0.000 0.987 249 N CA -0.266 52.737 53.050 -0.079 0.000 0.912 249 N CB 1.014 39.425 38.487 -0.126 0.000 1.177 249 N HN 0.459 nan 8.380 nan 0.000 0.490 250 I N 1.450 121.956 120.570 -0.107 0.000 2.306 250 I HA 0.123 4.293 4.170 -0.000 0.000 0.288 250 I C 0.223 176.372 176.117 0.052 0.000 1.036 250 I CA -0.146 61.061 61.300 -0.155 0.000 1.221 250 I CB 0.362 38.013 38.000 -0.581 0.000 1.385 250 I HN 0.431 nan 8.210 nan 0.000 0.472 251 D N 5.527 125.983 120.400 0.094 0.000 2.775 251 D HA -0.166 4.474 4.640 -0.000 0.000 0.235 251 D C 1.100 177.481 176.300 0.136 0.000 1.120 251 D CA 1.099 55.201 54.000 0.170 0.000 0.708 251 D CB -0.474 40.484 40.800 0.263 0.000 1.084 251 D HN 1.124 nan 8.370 nan 0.000 0.434 252 G N -0.352 108.476 108.800 0.047 0.000 2.189 252 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.267 252 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.267 252 G C 0.489 175.400 174.900 0.019 0.000 0.975 252 G CA 0.593 45.685 45.100 -0.012 0.000 0.644 252 G HN 0.561 nan 8.290 nan 0.000 0.537 253 I N 1.377 122.002 120.570 0.092 0.000 2.331 253 I HA 0.201 4.371 4.170 -0.000 0.000 0.292 253 I C 0.577 176.757 176.117 0.104 0.000 0.998 253 I CA -0.774 60.598 61.300 0.122 0.000 1.267 253 I CB 1.322 39.461 38.000 0.233 0.000 1.386 253 I HN 0.182 nan 8.210 nan 0.000 0.476 254 N N 5.038 123.770 118.700 0.054 0.000 2.497 254 N HA 0.037 4.777 4.740 -0.000 0.000 0.268 254 N C 0.857 176.404 175.510 0.062 0.000 1.171 254 N CA -0.130 52.941 53.050 0.037 0.000 0.948 254 N CB 1.661 40.164 38.487 0.027 0.000 1.069 254 N HN 0.413 nan 8.380 nan 0.000 0.460 255 V N 3.442 123.383 119.914 0.045 0.000 2.343 255 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 255 V C 2.136 178.259 176.094 0.049 0.000 1.051 255 V CA 2.036 64.372 62.300 0.060 0.000 1.036 255 V CB -1.064 30.754 31.823 -0.008 0.000 0.654 255 V HN 0.810 nan 8.190 nan 0.000 0.451 256 H N 0.713 119.786 119.070 0.004 0.000 2.321 256 H HA -0.119 4.437 4.556 -0.000 0.000 0.300 256 H C 2.334 177.665 175.328 0.006 0.000 1.087 256 H CA 2.097 58.142 56.048 -0.004 0.000 1.319 256 H CB -0.298 29.450 29.762 -0.024 0.000 1.379 256 H HN 0.359 nan 8.280 nan 0.000 0.501 257 S N 0.228 115.713 115.700 -0.357 0.000 2.368 257 S HA -0.115 4.355 4.470 -0.000 0.000 0.225 257 S C 2.420 176.908 174.600 -0.187 0.000 1.030 257 S CA 0.926 58.939 58.200 -0.312 0.000 0.999 257 S CB -0.598 62.538 63.200 -0.107 0.000 0.844 257 S HN 0.695 nan 8.310 nan 0.000 0.459 258 A N 1.853 124.629 122.820 -0.073 0.000 1.930 258 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 258 A C 2.162 179.728 177.584 -0.031 0.000 1.175 258 A CA 1.119 53.145 52.037 -0.019 0.000 0.627 258 A CB -0.402 18.660 19.000 0.102 0.000 0.815 258 A HN 0.393 nan 8.150 nan 0.000 0.443 259 R N -0.553 119.928 120.500 -0.031 0.000 2.092 259 R HA -0.090 4.250 4.340 -0.000 0.000 0.231 259 R C 2.328 178.584 176.300 -0.073 0.000 1.119 259 R CA 1.560 57.648 56.100 -0.020 0.000 0.970 259 R CB -0.229 30.076 30.300 0.008 0.000 0.864 259 R HN 0.561 nan 8.270 nan 0.000 0.440 260 K N 0.561 120.854 120.400 -0.179 0.000 2.057 260 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 260 K C 1.558 178.102 176.600 -0.094 0.000 1.050 260 K CA 1.400 57.589 56.287 -0.162 0.000 0.935 260 K CB 0.083 32.404 32.500 -0.297 0.000 0.715 260 K HN 0.069 nan 8.250 nan 0.000 0.439 261 N N 1.060 119.705 118.700 -0.093 0.000 2.166 261 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 261 N C 1.748 177.234 175.510 -0.041 0.000 1.019 261 N CA 0.948 53.960 53.050 -0.063 0.000 0.856 261 N CB -0.199 38.249 38.487 -0.065 0.000 0.993 261 N HN 0.206 nan 8.380 nan 0.000 0.426 262 L N 0.035 121.240 121.223 -0.031 0.000 2.083 262 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 262 L C 2.383 179.263 176.870 0.017 0.000 1.083 262 L CA 1.269 56.103 54.840 -0.011 0.000 0.752 262 L CB -0.900 41.158 42.059 -0.001 0.000 0.899 262 L HN 0.216 nan 8.230 nan 0.000 0.433 263 G N 0.086 108.900 108.800 0.024 0.000 2.421 263 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 263 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 263 G C 1.692 176.640 174.900 0.081 0.000 1.171 263 G CA 0.470 45.621 45.100 0.085 0.000 0.775 263 G HN 0.292 nan 8.290 nan 0.000 0.543 264 K N -0.571 119.827 120.400 -0.003 0.000 2.211 264 K HA 0.018 4.338 4.320 -0.000 0.000 0.203 264 K C 2.598 179.171 176.600 -0.045 0.000 1.050 264 K CA 0.787 57.044 56.287 -0.050 0.000 0.945 264 K CB -0.137 32.327 32.500 -0.059 0.000 0.732 264 K HN 0.205 nan 8.250 nan 0.000 0.451 265 M N 0.411 120.000 119.600 -0.018 0.000 2.077 265 M HA -0.102 4.378 4.480 -0.000 0.000 0.261 265 M C 2.255 178.559 176.300 0.008 0.000 1.070 265 M CA 1.173 56.464 55.300 -0.016 0.000 1.125 265 M CB -1.063 31.526 32.600 -0.017 0.000 1.339 265 M HN 0.119 nan 8.290 nan 0.000 0.409 266 L N 0.940 122.197 121.223 0.057 0.000 2.129 266 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 266 L C 2.394 179.368 176.870 0.175 0.000 1.087 266 L CA 2.054 56.969 54.840 0.124 0.000 0.757 266 L CB -0.911 41.242 42.059 0.156 0.000 0.896 266 L HN 0.254 nan 8.230 nan 0.000 0.434 267 A N -0.317 122.525 122.820 0.037 0.000 1.877 267 A HA -0.258 4.062 4.320 -0.000 0.000 0.216 267 A C 2.183 179.671 177.584 -0.160 0.000 1.186 267 A CA 1.640 53.486 52.037 -0.319 0.000 0.620 267 A CB -0.707 17.950 19.000 -0.572 0.000 0.822 267 A HN 0.756 nan 8.150 nan 0.000 0.443 268 Q N -0.749 118.992 119.800 -0.098 0.000 2.435 268 Q HA -0.005 4.335 4.340 -0.000 0.000 0.207 268 Q C 1.156 177.136 176.000 -0.034 0.000 0.956 268 Q CA 1.283 57.043 55.803 -0.071 0.000 0.917 268 Q CB -0.159 28.542 28.738 -0.062 0.000 0.997 268 Q HN 0.752 nan 8.270 nan 0.000 0.497 269 E N 1.001 121.195 120.200 -0.009 0.000 2.340 269 E HA 0.044 4.394 4.350 -0.000 0.000 0.194 269 E C -0.223 176.389 176.600 0.020 0.000 0.996 269 E CA 0.578 56.982 56.400 0.006 0.000 0.869 269 E CB 0.755 30.465 29.700 0.017 0.000 0.835 269 E HN 0.376 nan 8.360 nan 0.000 0.493 270 S N 0.387 116.113 115.700 0.043 0.000 2.609 270 S HA 0.675 5.145 4.470 -0.000 0.000 0.250 270 S C -0.592 174.066 174.600 0.097 0.000 1.112 270 S CA -0.969 57.265 58.200 0.057 0.000 1.102 270 S CB 1.535 64.774 63.200 0.065 0.000 1.124 270 S HN 0.166 nan 8.310 nan 0.000 0.460 271 A N 2.233 125.071 122.820 0.032 0.000 2.337 271 A HA 0.998 5.318 4.320 -0.000 0.000 0.331 271 A C -0.484 177.108 177.584 0.013 0.000 1.137 271 A CA -1.041 51.009 52.037 0.021 0.000 0.807 271 A CB 1.843 20.813 19.000 -0.049 0.000 1.250 271 A HN 1.417 nan 8.150 nan 0.000 0.468 272 V N 0.108 120.036 119.914 0.025 0.000 3.181 272 V HA 0.536 4.656 4.120 -0.000 0.000 0.308 272 V C -1.044 175.044 176.094 -0.010 0.000 1.214 272 V CA -0.615 61.654 62.300 -0.052 0.000 1.053 272 V CB 2.162 33.891 31.823 -0.156 0.000 1.069 272 V HN 1.014 nan 8.190 nan 0.000 0.441 273 E N 1.960 122.148 120.200 -0.020 0.000 2.113 273 E HA 0.740 5.090 4.350 -0.000 0.000 0.273 273 E C -0.659 175.983 176.600 0.071 0.000 0.924 273 E CA -0.053 56.363 56.400 0.026 0.000 0.764 273 E CB 1.446 31.158 29.700 0.020 0.000 1.104 273 E HN 0.998 nan 8.360 nan 0.000 0.406 274 A N 3.694 126.571 122.820 0.096 0.000 2.567 274 A HA 0.398 4.718 4.320 -0.000 0.000 0.289 274 A C -0.571 177.067 177.584 0.091 0.000 1.177 274 A CA -0.631 51.485 52.037 0.131 0.000 0.694 274 A CB 1.346 20.469 19.000 0.205 0.000 1.292 274 A HN 0.660 nan 8.150 nan 0.000 0.425 275 D N -0.873 119.571 120.400 0.073 0.000 2.449 275 D HA 0.288 4.928 4.640 -0.000 0.000 0.210 275 D C -0.424 175.905 176.300 0.047 0.000 1.094 275 D CA 0.758 54.788 54.000 0.050 0.000 0.846 275 D CB 1.358 42.176 40.800 0.031 0.000 1.003 275 D HN 0.161 nan 8.370 nan 0.000 0.504 276 V N 1.422 121.368 119.914 0.053 0.000 2.808 276 V HA 0.275 4.395 4.120 -0.000 0.000 0.308 276 V C -0.533 175.602 176.094 0.070 0.000 1.099 276 V CA -0.822 61.502 62.300 0.040 0.000 0.920 276 V CB 3.106 34.929 31.823 -0.000 0.000 1.014 276 V HN -0.251 nan 8.190 nan 0.000 0.425 277 V N 3.396 123.377 119.914 0.111 0.000 2.435 277 V HA 0.670 4.790 4.120 -0.000 0.000 0.290 277 V C 0.110 176.286 176.094 0.136 0.000 1.030 277 V CA -0.188 62.209 62.300 0.160 0.000 0.881 277 V CB 1.846 33.852 31.823 0.304 0.000 0.983 277 V HN 0.926 nan 8.190 nan 0.000 0.445 278 T N 3.345 117.952 114.554 0.087 0.000 2.893 278 T HA 0.730 5.080 4.350 -0.000 0.000 0.293 278 T C 0.123 174.897 174.700 0.123 0.000 1.027 278 T CA 0.088 62.230 62.100 0.070 0.000 0.988 278 T CB 1.568 70.420 68.868 -0.027 0.000 1.043 278 T HN 0.928 nan 8.240 nan 0.000 0.461 279 G N 1.327 110.247 108.800 0.198 0.000 2.531 279 G HA2 0.622 4.582 3.960 -0.000 0.000 0.313 279 G HA3 0.622 4.582 3.960 -0.000 0.000 0.313 279 G C -1.005 173.935 174.900 0.067 0.000 1.238 279 G CA -0.514 44.665 45.100 0.131 0.000 0.994 279 G HN 0.744 nan 8.290 nan 0.000 0.493 280 V N 1.212 121.154 119.914 0.047 0.000 2.384 280 V HA 0.287 4.407 4.120 -0.000 0.000 0.287 280 V C -2.149 173.968 176.094 0.039 0.000 1.020 280 V CA -1.480 60.835 62.300 0.025 0.000 0.850 280 V CB 1.953 33.781 31.823 0.009 0.000 0.987 280 V HN 0.513 nan 8.190 nan 0.000 0.436 281 P HA 0.113 nan 4.420 nan 0.000 0.250 281 P C -0.185 177.126 177.300 0.019 0.000 1.161 281 P CA 0.991 64.103 63.100 0.019 0.000 0.863 281 P CB 0.207 31.905 31.700 -0.003 0.000 0.827 282 D N 0.367 120.785 120.400 0.030 0.000 2.514 282 D HA -0.180 4.460 4.640 -0.000 0.000 0.245 282 D C 1.560 177.900 176.300 0.068 0.000 0.891 282 D CA 2.045 56.061 54.000 0.028 0.000 1.737 282 D CB -1.707 39.097 40.800 0.006 0.000 1.350 282 D HN 0.389 nan 8.370 nan 0.000 0.674 283 S N 0.022 115.795 115.700 0.122 0.000 2.368 283 S HA -0.104 4.366 4.470 -0.000 0.000 0.225 283 S C 1.476 176.166 174.600 0.149 0.000 1.030 283 S CA 1.696 60.019 58.200 0.205 0.000 0.999 283 S CB -0.277 63.076 63.200 0.255 0.000 0.844 283 S HN 0.575 nan 8.310 nan 0.000 0.459 284 S N 0.337 116.093 115.700 0.094 0.000 2.526 284 S HA 0.445 4.915 4.470 -0.000 0.000 0.245 284 S C 0.871 175.509 174.600 0.064 0.000 1.103 284 S CA -0.628 57.614 58.200 0.071 0.000 1.095 284 S CB -0.192 63.032 63.200 0.040 0.000 0.826 284 S HN 0.211 nan 8.310 nan 0.000 0.468 285 I N 2.260 122.873 120.570 0.071 0.000 2.162 285 I HA -0.058 4.112 4.170 -0.000 0.000 0.238 285 I C 2.478 178.606 176.117 0.020 0.000 1.076 285 I CA 0.903 62.246 61.300 0.071 0.000 1.353 285 I CB -1.663 36.382 38.000 0.075 0.000 1.063 285 I HN 0.331 nan 8.210 nan 0.000 0.408 286 S N 1.421 117.163 115.700 0.070 0.000 2.374 286 S HA -0.204 4.266 4.470 -0.000 0.000 0.227 286 S C 2.177 176.768 174.600 -0.014 0.000 1.037 286 S CA 1.494 59.752 58.200 0.097 0.000 1.024 286 S CB -0.492 62.813 63.200 0.175 0.000 0.861 286 S HN 0.550 nan 8.310 nan 0.000 0.456 287 A N 1.403 124.219 122.820 -0.005 0.000 1.930 287 A HA 0.248 4.568 4.320 -0.000 0.000 0.217 287 A C 2.358 179.937 177.584 -0.008 0.000 1.175 287 A CA 1.485 53.520 52.037 -0.004 0.000 0.627 287 A CB -0.985 18.025 19.000 0.017 0.000 0.815 287 A HN 0.517 nan 8.150 nan 0.000 0.443 288 A N 0.207 123.000 122.820 -0.045 0.000 1.902 288 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 288 A C 2.078 179.508 177.584 -0.256 0.000 1.181 288 A CA 1.512 53.513 52.037 -0.059 0.000 0.623 288 A CB -0.626 18.398 19.000 0.040 0.000 0.818 288 A HN 0.490 nan 8.150 nan 0.000 0.443 289 I N -0.155 120.111 120.570 -0.507 0.000 2.226 289 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 289 I C 2.690 178.698 176.117 -0.182 0.000 1.100 289 I CA 1.199 62.176 61.300 -0.538 0.000 1.374 289 I CB -0.652 37.129 38.000 -0.365 0.000 1.057 289 I HN 0.377 nan 8.210 nan 0.000 0.413 290 G N -0.290 108.458 108.800 -0.088 0.000 2.418 290 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.217 290 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.217 290 G C 1.660 176.563 174.900 0.004 0.000 1.158 290 G CA 0.661 45.737 45.100 -0.039 0.000 0.771 290 G HN 0.353 nan 8.290 nan 0.000 0.545 291 Y N 1.762 122.018 120.300 -0.072 0.000 2.163 291 Y HA 0.061 4.611 4.550 -0.000 0.000 0.288 291 Y C 2.998 178.886 175.900 -0.022 0.000 1.136 291 Y CA 1.529 59.606 58.100 -0.039 0.000 1.147 291 Y CB -0.285 38.161 38.460 -0.023 0.000 0.987 291 Y HN 0.248 nan 8.280 nan 0.000 0.509 292 A N 0.299 123.235 122.820 0.194 0.000 1.883 292 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 292 A C 2.082 179.686 177.584 0.033 0.000 1.186 292 A CA 2.064 54.192 52.037 0.151 0.000 0.624 292 A CB -0.779 18.337 19.000 0.194 0.000 0.822 292 A HN 0.633 nan 8.150 nan 0.000 0.444 293 E N -0.408 119.788 120.200 -0.006 0.000 2.038 293 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 293 E C 2.339 178.902 176.600 -0.062 0.000 1.000 293 E CA 1.078 57.463 56.400 -0.026 0.000 0.803 293 E CB -0.319 29.362 29.700 -0.032 0.000 0.750 293 E HN 0.613 nan 8.360 nan 0.000 0.448 294 A N 0.476 123.231 122.820 -0.108 0.000 1.972 294 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 294 A C 2.274 179.746 177.584 -0.188 0.000 1.169 294 A CA 1.705 53.652 52.037 -0.150 0.000 0.635 294 A CB -0.420 18.464 19.000 -0.194 0.000 0.810 294 A HN 0.178 nan 8.150 nan 0.000 0.446 295 T N -2.062 112.355 114.554 -0.229 0.000 3.065 295 T HA 0.343 4.693 4.350 -0.000 0.000 0.252 295 T C 1.369 176.020 174.700 -0.081 0.000 1.099 295 T CA 1.313 63.286 62.100 -0.211 0.000 1.063 295 T CB -0.234 68.409 68.868 -0.374 0.000 0.948 295 T HN 1.364 nan 8.240 nan 0.000 0.506 296 G N 1.423 110.197 108.800 -0.043 0.000 2.189 296 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.267 296 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.267 296 G C 0.227 175.142 174.900 0.025 0.000 0.975 296 G CA 0.391 45.487 45.100 -0.006 0.000 0.644 296 G HN 0.591 nan 8.290 nan 0.000 0.537 297 I N 3.072 123.672 120.570 0.050 0.000 2.474 297 I HA 0.245 4.415 4.170 -0.000 0.000 0.287 297 I C -1.337 174.843 176.117 0.105 0.000 1.048 297 I CA -2.130 59.219 61.300 0.082 0.000 1.383 297 I CB 0.954 39.029 38.000 0.125 0.000 1.412 297 I HN -0.070 nan 8.210 nan 0.000 0.531 298 P HA -0.092 nan 4.420 nan 0.000 0.267 298 P C -1.132 176.246 177.300 0.130 0.000 1.205 298 P CA 0.117 63.274 63.100 0.095 0.000 0.765 298 P CB 0.325 32.055 31.700 0.049 0.000 0.828 299 Y N 4.073 124.395 120.300 0.037 0.000 2.336 299 Y HA 0.244 4.794 4.550 -0.000 0.000 0.335 299 Y C 0.125 176.038 175.900 0.022 0.000 1.046 299 Y CA -0.015 58.107 58.100 0.037 0.000 1.198 299 Y CB 0.579 39.063 38.460 0.041 0.000 1.182 299 Y HN 0.332 nan 8.280 nan 0.000 0.502 300 E N 4.738 124.513 120.200 -0.709 0.000 2.392 300 E HA 0.287 4.637 4.350 -0.000 0.000 0.269 300 E C -1.483 174.750 176.600 -0.611 0.000 0.924 300 E CA -1.064 55.035 56.400 -0.503 0.000 0.784 300 E CB 2.004 31.566 29.700 -0.230 0.000 1.292 300 E HN 0.519 nan 8.360 nan 0.000 0.447 301 L N 1.692 122.706 121.223 -0.348 0.000 2.387 301 L HA 0.265 4.605 4.340 -0.000 0.000 0.267 301 L C 1.362 178.146 176.870 -0.144 0.000 1.197 301 L CA 0.393 55.100 54.840 -0.221 0.000 1.070 301 L CB -0.094 41.882 42.059 -0.137 0.000 1.349 301 L HN 0.791 nan 8.230 nan 0.000 0.422 302 G N 2.753 111.474 108.800 -0.131 0.000 2.920 302 G HA2 0.229 4.189 3.960 -0.000 0.000 0.208 302 G HA3 0.229 4.189 3.960 -0.000 0.000 0.208 302 G C 0.427 175.294 174.900 -0.055 0.000 1.159 302 G CA 0.127 45.177 45.100 -0.082 0.000 0.784 302 G HN 0.371 nan 8.290 nan 0.000 0.535 303 L N 0.886 122.080 121.223 -0.049 0.000 2.493 303 L HA 0.457 4.797 4.340 -0.000 0.000 0.265 303 L C -1.217 175.634 176.870 -0.031 0.000 0.954 303 L CA -0.967 53.854 54.840 -0.033 0.000 0.844 303 L CB 2.521 44.566 42.059 -0.024 0.000 1.302 303 L HN -0.186 nan 8.230 nan 0.000 0.405 304 I N 2.549 123.102 120.570 -0.028 0.000 2.562 304 I HA 0.422 4.592 4.170 -0.000 0.000 0.301 304 I C -0.104 175.995 176.117 -0.030 0.000 1.003 304 I CA -0.580 60.703 61.300 -0.028 0.000 1.127 304 I CB 2.013 39.998 38.000 -0.025 0.000 1.304 304 I HN 0.587 nan 8.210 nan 0.000 0.446 305 K N 4.415 124.792 120.400 -0.039 0.000 2.182 305 K HA 0.269 4.589 4.320 -0.000 0.000 0.262 305 K C -0.338 176.218 176.600 -0.073 0.000 0.957 305 K CA -0.572 55.684 56.287 -0.052 0.000 0.842 305 K CB 1.197 33.666 32.500 -0.052 0.000 1.099 305 K HN 0.509 nan 8.250 nan 0.000 0.438 306 N N 3.557 122.204 118.700 -0.089 0.000 2.430 306 N HA 0.068 4.808 4.740 -0.000 0.000 0.265 306 N C 0.319 175.732 175.510 -0.161 0.000 1.100 306 N CA 0.165 53.156 53.050 -0.098 0.000 0.961 306 N CB 0.781 39.197 38.487 -0.118 0.000 1.075 306 N HN 0.625 nan 8.380 nan 0.000 0.478 307 R N 2.897 123.251 120.500 -0.243 0.000 2.293 307 R HA -0.116 4.224 4.340 -0.000 0.000 0.219 307 R C 0.095 176.056 176.300 -0.565 0.000 1.091 307 R CA 1.182 56.997 56.100 -0.476 0.000 1.004 307 R CB 0.035 29.872 30.300 -0.773 0.000 0.865 307 R HN 0.631 nan 8.270 nan 0.000 0.469 308 Y N -0.319 119.907 120.300 -0.123 0.000 2.696 308 Y HA 0.153 4.703 4.550 -0.000 0.000 0.260 308 Y C 0.405 176.182 175.900 -0.206 0.000 1.165 308 Y CA -0.951 57.079 58.100 -0.117 0.000 1.189 308 Y CB 0.490 38.903 38.460 -0.078 0.000 1.180 308 Y HN -0.205 nan 8.280 nan 0.000 0.538 309 V N -1.002 118.787 119.914 -0.208 0.000 2.775 309 V HA 0.951 5.071 4.120 -0.000 0.000 0.299 309 V C 0.457 176.497 176.094 -0.091 0.000 1.062 309 V CA 0.070 62.135 62.300 -0.391 0.000 1.063 309 V CB 0.972 32.532 31.823 -0.438 0.000 0.994 309 V HN 0.278 nan 8.190 nan 0.000 0.483 310 G N 3.658 112.495 108.800 0.062 0.000 2.706 310 G HA2 0.428 4.388 3.960 -0.000 0.000 0.307 310 G HA3 0.428 4.388 3.960 -0.000 0.000 0.307 310 G C 0.156 175.140 174.900 0.140 0.000 1.307 310 G CA -0.375 44.780 45.100 0.092 0.000 0.790 310 G HN 0.919 nan 8.290 nan 0.000 0.503 311 R N -1.477 119.080 120.500 0.095 0.000 2.090 311 R HA 0.044 4.384 4.340 -0.000 0.000 0.228 311 R C 1.609 177.967 176.300 0.096 0.000 1.110 311 R CA 1.976 58.125 56.100 0.082 0.000 0.973 311 R CB -0.901 29.428 30.300 0.048 0.000 0.869 311 R HN 0.307 nan 8.270 nan 0.000 0.440 312 T N 0.756 115.374 114.554 0.106 0.000 3.155 312 T HA -0.029 4.321 4.350 -0.000 0.000 0.264 312 T C -0.102 174.683 174.700 0.142 0.000 1.160 312 T CA 0.329 62.489 62.100 0.100 0.000 1.075 312 T CB -0.323 68.601 68.868 0.094 0.000 0.921 312 T HN 0.180 nan 8.240 nan 0.000 0.533 313 F N 2.424 122.388 119.950 0.024 0.000 2.420 313 F HA 0.446 4.973 4.527 -0.000 0.000 0.352 313 F C -0.090 175.720 175.800 0.018 0.000 1.108 313 F CA -2.447 55.568 58.000 0.025 0.000 1.162 313 F CB 0.242 39.262 39.000 0.033 0.000 1.118 313 F HN -0.027 nan 8.300 nan 0.000 0.510 314 I N 7.066 127.266 120.570 -0.617 0.000 2.421 314 I HA 0.038 4.208 4.170 -0.000 0.000 0.291 314 I C 0.018 175.686 176.117 -0.748 0.000 1.089 314 I CA -0.457 60.544 61.300 -0.499 0.000 1.354 314 I CB 0.184 37.995 38.000 -0.315 0.000 1.413 314 I HN 0.427 nan 8.210 nan 0.000 0.513 315 Q N 8.265 127.812 119.800 -0.422 0.000 2.311 315 Q HA 0.204 4.544 4.340 -0.000 0.000 0.272 315 Q C -1.934 173.951 176.000 -0.191 0.000 1.012 315 Q CA -1.566 54.073 55.803 -0.274 0.000 0.891 315 Q CB -0.021 28.664 28.738 -0.088 0.000 1.201 315 Q HN 0.406 nan 8.270 nan 0.000 0.391 316 P HA -0.040 nan 4.420 nan 0.000 0.267 316 P C -0.181 177.093 177.300 -0.043 0.000 1.200 316 P CA 0.005 63.065 63.100 -0.067 0.000 0.772 316 P CB 0.495 32.188 31.700 -0.011 0.000 0.855 317 S N 1.481 117.159 115.700 -0.036 0.000 2.596 317 S HA -0.029 4.441 4.470 -0.000 0.000 0.260 317 S C 1.561 176.154 174.600 -0.011 0.000 1.336 317 S CA -0.434 57.752 58.200 -0.024 0.000 0.993 317 S CB 0.438 63.625 63.200 -0.022 0.000 0.923 317 S HN 0.599 nan 8.310 nan 0.000 0.567 318 Q N 1.291 121.086 119.800 -0.007 0.000 2.096 318 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 318 Q C 2.077 178.076 176.000 -0.001 0.000 0.982 318 Q CA 2.191 57.992 55.803 -0.002 0.000 0.850 318 Q CB -1.543 27.194 28.738 -0.002 0.000 0.901 318 Q HN 0.897 nan 8.270 nan 0.000 0.422 319 A N 0.721 123.539 122.820 -0.004 0.000 1.929 319 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 319 A C 2.163 179.746 177.584 -0.001 0.000 1.176 319 A CA 1.120 53.155 52.037 -0.003 0.000 0.628 319 A CB -0.430 18.568 19.000 -0.004 0.000 0.816 319 A HN 0.298 nan 8.150 nan 0.000 0.444 320 L N -0.614 120.607 121.223 -0.003 0.000 2.109 320 L HA 0.023 4.363 4.340 -0.000 0.000 0.207 320 L C 2.401 179.275 176.870 0.006 0.000 1.086 320 L CA 1.724 56.564 54.840 -0.000 0.000 0.760 320 L CB -0.890 41.166 42.059 -0.006 0.000 0.910 320 L HN 0.379 nan 8.230 nan 0.000 0.437 321 R N 0.187 120.690 120.500 0.006 0.000 2.070 321 R HA -0.171 4.169 4.340 -0.000 0.000 0.232 321 R C 2.174 178.479 176.300 0.010 0.000 1.138 321 R CA 1.817 57.924 56.100 0.012 0.000 0.936 321 R CB -0.271 30.036 30.300 0.011 0.000 0.839 321 R HN 0.592 nan 8.270 nan 0.000 0.429 322 E N -0.026 120.178 120.200 0.006 0.000 2.418 322 E HA -0.216 4.134 4.350 -0.000 0.000 0.197 322 E C 1.563 178.165 176.600 0.004 0.000 1.026 322 E CA 0.807 57.210 56.400 0.004 0.000 0.862 322 E CB -0.131 29.571 29.700 0.003 0.000 0.799 322 E HN 0.499 nan 8.360 nan 0.000 0.518 323 Q N 0.232 120.035 119.800 0.004 0.000 2.291 323 Q HA -0.017 4.323 4.340 -0.000 0.000 0.205 323 Q C 0.931 176.934 176.000 0.006 0.000 0.970 323 Q CA 1.049 56.854 55.803 0.004 0.000 0.876 323 Q CB 0.245 28.985 28.738 0.004 0.000 0.935 323 Q HN 0.617 nan 8.270 nan 0.000 0.455 324 G N -0.414 108.392 108.800 0.009 0.000 2.198 324 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.156 324 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.156 324 G C -0.157 174.753 174.900 0.017 0.000 1.012 324 G CA -0.321 44.786 45.100 0.011 0.000 0.692 324 G HN 0.121 nan 8.290 nan 0.000 0.492 325 V N 3.384 123.312 119.914 0.023 0.000 2.479 325 V HA 0.390 4.510 4.120 -0.000 0.000 0.281 325 V C 0.936 177.060 176.094 0.049 0.000 1.031 325 V CA -0.364 61.958 62.300 0.036 0.000 1.038 325 V CB 0.760 32.604 31.823 0.035 0.000 0.981 325 V HN 0.317 nan 8.190 nan 0.000 0.478 326 R N 4.457 124.992 120.500 0.057 0.000 2.577 326 R HA 0.553 4.893 4.340 -0.000 0.000 0.269 326 R C 0.274 176.637 176.300 0.106 0.000 1.084 326 R CA -0.319 55.818 56.100 0.061 0.000 1.163 326 R CB 0.837 31.160 30.300 0.039 0.000 1.100 326 R HN 0.637 nan 8.270 nan 0.000 0.547 327 M N 0.481 120.139 119.600 0.096 0.000 2.586 327 M HA 0.206 4.686 4.480 -0.000 0.000 0.150 327 M C 1.684 177.997 176.300 0.023 0.000 1.550 327 M CA 0.098 55.488 55.300 0.149 0.000 1.553 327 M CB -0.136 32.562 32.600 0.162 0.000 0.785 327 M HN 0.384 nan 8.290 nan 0.000 0.609 328 K N 0.205 120.598 120.400 -0.011 0.000 2.418 328 K HA 0.149 4.469 4.320 -0.000 0.000 0.195 328 K C -0.732 175.840 176.600 -0.046 0.000 1.035 328 K CA 0.440 56.684 56.287 -0.071 0.000 1.003 328 K CB 0.469 32.937 32.500 -0.054 0.000 0.793 328 K HN 0.163 nan 8.250 nan 0.000 0.494 329 L N 0.426 121.637 121.223 -0.020 0.000 2.431 329 L HA 0.296 4.636 4.340 -0.000 0.000 0.266 329 L C -1.206 175.657 176.870 -0.011 0.000 0.978 329 L CA -0.299 54.531 54.840 -0.018 0.000 0.822 329 L CB 2.163 44.214 42.059 -0.014 0.000 1.310 329 L HN 0.093 nan 8.230 nan 0.000 0.409 330 S N 2.839 118.531 115.700 -0.014 0.000 2.595 330 S HA 0.983 5.453 4.470 -0.000 0.000 0.281 330 S C -0.757 173.833 174.600 -0.017 0.000 1.117 330 S CA -0.398 57.796 58.200 -0.010 0.000 0.873 330 S CB 1.765 64.962 63.200 -0.005 0.000 1.108 330 S HN 0.942 nan 8.310 nan 0.000 0.477 331 A N 0.894 123.704 122.820 -0.017 0.000 2.306 331 A HA 0.726 5.046 4.320 -0.000 0.000 0.314 331 A C 0.032 177.602 177.584 -0.024 0.000 1.164 331 A CA -0.608 51.415 52.037 -0.024 0.000 0.822 331 A CB 0.811 19.796 19.000 -0.024 0.000 1.130 331 A HN 1.876 nan 8.150 nan 0.000 0.496 332 V N 3.345 123.240 119.914 -0.031 0.000 2.328 332 V HA 0.418 4.538 4.120 -0.000 0.000 0.278 332 V C 1.156 177.232 176.094 -0.030 0.000 1.021 332 V CA -0.352 61.930 62.300 -0.030 0.000 0.838 332 V CB 0.697 32.499 31.823 -0.035 0.000 0.999 332 V HN 1.070 nan 8.190 nan 0.000 0.447 333 R N 4.765 125.251 120.500 -0.023 0.000 2.119 333 R HA -0.091 4.249 4.340 -0.000 0.000 0.246 333 R C 1.901 178.188 176.300 -0.022 0.000 1.146 333 R CA 2.519 58.606 56.100 -0.021 0.000 0.962 333 R CB -0.706 29.584 30.300 -0.016 0.000 0.863 333 R HN 0.901 nan 8.270 nan 0.000 0.442 334 G N -0.894 107.893 108.800 -0.022 0.000 2.470 334 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.220 334 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.220 334 G C 1.189 176.072 174.900 -0.028 0.000 1.121 334 G CA 0.813 45.899 45.100 -0.022 0.000 0.766 334 G HN 0.278 nan 8.290 nan 0.000 0.553 335 V N 0.073 119.966 119.914 -0.035 0.000 2.788 335 V HA -0.013 4.107 4.120 -0.000 0.000 0.241 335 V C 2.657 178.728 176.094 -0.037 0.000 1.083 335 V CA 1.382 63.656 62.300 -0.043 0.000 1.103 335 V CB 0.848 32.635 31.823 -0.061 0.000 0.800 335 V HN 0.329 nan 8.190 nan 0.000 0.476 336 V N -1.844 118.049 119.914 -0.035 0.000 3.644 336 V HA 0.267 4.387 4.120 -0.000 0.000 0.267 336 V C 0.930 177.007 176.094 -0.028 0.000 1.277 336 V CA 0.171 62.451 62.300 -0.033 0.000 1.096 336 V CB -0.233 31.567 31.823 -0.038 0.000 0.828 336 V HN 0.521 nan 8.190 nan 0.000 0.446 337 E N 1.713 121.898 120.200 -0.024 0.000 2.415 337 E HA 0.366 4.716 4.350 -0.000 0.000 0.260 337 E C 1.270 177.859 176.600 -0.018 0.000 1.016 337 E CA 0.779 57.167 56.400 -0.021 0.000 0.924 337 E CB -0.000 29.689 29.700 -0.018 0.000 0.961 337 E HN 0.797 nan 8.360 nan 0.000 0.459 338 G N 3.676 112.465 108.800 -0.018 0.000 2.143 338 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.248 338 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.248 338 G C 0.057 174.949 174.900 -0.013 0.000 0.991 338 G CA 0.605 45.696 45.100 -0.015 0.000 0.689 338 G HN 0.483 nan 8.290 nan 0.000 0.522 339 K N -0.043 120.347 120.400 -0.018 0.000 2.208 339 K HA 0.701 5.021 4.320 -0.000 0.000 0.247 339 K C 0.511 177.098 176.600 -0.021 0.000 0.953 339 K CA -0.915 55.364 56.287 -0.013 0.000 0.837 339 K CB 0.726 33.217 32.500 -0.014 0.000 1.131 339 K HN 0.252 nan 8.250 nan 0.000 0.431 340 R N 1.450 121.946 120.500 -0.006 0.000 2.216 340 R HA 0.357 4.697 4.340 -0.000 0.000 0.332 340 R C -0.762 175.541 176.300 0.005 0.000 1.056 340 R CA -0.667 55.425 56.100 -0.013 0.000 0.901 340 R CB 0.804 31.131 30.300 0.045 0.000 1.039 340 R HN 0.166 nan 8.270 nan 0.000 0.456 341 V N 4.566 124.458 119.914 -0.037 0.000 2.417 341 V HA 0.250 4.370 4.120 -0.000 0.000 0.291 341 V C 0.038 176.137 176.094 0.008 0.000 1.024 341 V CA -0.867 61.424 62.300 -0.015 0.000 0.861 341 V CB 1.740 33.536 31.823 -0.045 0.000 0.985 341 V HN 0.564 nan 8.190 nan 0.000 0.436 342 V N 5.094 125.032 119.914 0.040 0.000 2.427 342 V HA 0.659 4.779 4.120 -0.000 0.000 0.286 342 V C -0.310 175.743 176.094 -0.068 0.000 1.034 342 V CA -0.469 61.831 62.300 -0.001 0.000 0.893 342 V CB 1.509 33.298 31.823 -0.057 0.000 0.982 342 V HN 0.879 nan 8.190 nan 0.000 0.452 343 M N 6.721 126.266 119.600 -0.092 0.000 2.167 343 M HA 0.549 5.029 4.480 -0.000 0.000 0.333 343 M C -1.542 174.675 176.300 -0.139 0.000 1.030 343 M CA -0.343 54.905 55.300 -0.087 0.000 0.963 343 M CB 1.432 33.989 32.600 -0.071 0.000 1.589 343 M HN 0.654 nan 8.290 nan 0.000 0.431 344 V N 5.209 125.044 119.914 -0.132 0.000 2.370 344 V HA 0.398 4.518 4.120 -0.000 0.000 0.279 344 V C -0.303 175.740 176.094 -0.086 0.000 1.029 344 V CA -0.584 61.618 62.300 -0.163 0.000 0.870 344 V CB 1.546 33.262 31.823 -0.178 0.000 0.984 344 V HN 0.758 nan 8.190 nan 0.000 0.451 345 D N 2.212 122.557 120.400 -0.091 0.000 2.419 345 D HA 0.270 4.910 4.640 -0.000 0.000 0.234 345 D C 0.721 177.001 176.300 -0.033 0.000 1.014 345 D CA -0.516 53.453 54.000 -0.052 0.000 0.919 345 D CB 2.279 43.039 40.800 -0.066 0.000 1.366 345 D HN 0.632 nan 8.370 nan 0.000 0.490 346 D N 0.010 120.413 120.400 0.005 0.000 2.149 346 D HA -0.083 4.557 4.640 -0.000 0.000 0.201 346 D C 0.124 176.452 176.300 0.045 0.000 0.972 346 D CA 0.525 54.553 54.000 0.046 0.000 0.835 346 D CB 0.071 40.943 40.800 0.121 0.000 0.966 346 D HN 0.256 nan 8.370 nan 0.000 0.476 347 S N -1.024 114.683 115.700 0.011 0.000 2.588 347 S HA 0.608 5.078 4.470 -0.000 0.000 0.269 347 S C -0.912 173.698 174.600 0.018 0.000 1.157 347 S CA -1.070 57.163 58.200 0.054 0.000 0.824 347 S CB 1.669 64.913 63.200 0.073 0.000 1.126 347 S HN 0.140 nan 8.310 nan 0.000 0.464 348 I N 1.979 122.609 120.570 0.100 0.000 2.406 348 I HA 0.456 4.626 4.170 -0.000 0.000 0.290 348 I C -0.104 176.051 176.117 0.063 0.000 0.999 348 I CA -0.600 60.745 61.300 0.075 0.000 1.124 348 I CB 1.910 40.008 38.000 0.162 0.000 1.289 348 I HN 0.618 nan 8.210 nan 0.000 0.441 349 V N 5.511 125.423 119.914 -0.004 0.000 3.264 349 V HA 0.117 4.237 4.120 -0.000 0.000 0.217 349 V C 1.695 177.758 176.094 -0.052 0.000 1.236 349 V CA 0.388 62.672 62.300 -0.026 0.000 1.287 349 V CB -0.126 31.665 31.823 -0.054 0.000 1.241 349 V HN 0.686 nan 8.190 nan 0.000 0.518 350 R N 0.478 120.936 120.500 -0.069 0.000 2.254 350 R HA 0.338 4.678 4.340 -0.000 0.000 0.195 350 R C 1.594 177.842 176.300 -0.086 0.000 0.957 350 R CA 0.852 56.900 56.100 -0.087 0.000 1.024 350 R CB 0.300 30.543 30.300 -0.095 0.000 0.952 350 R HN 0.668 nan 8.270 nan 0.000 0.484 351 G N -0.098 108.664 108.800 -0.063 0.000 2.195 351 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.246 351 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.246 351 G C 0.979 175.848 174.900 -0.051 0.000 0.984 351 G CA 0.619 45.684 45.100 -0.058 0.000 0.633 351 G HN 0.322 nan 8.290 nan 0.000 0.525 352 T N 1.191 115.715 114.554 -0.050 0.000 2.668 352 T HA -0.079 4.271 4.350 -0.000 0.000 0.262 352 T C 2.519 177.200 174.700 -0.032 0.000 1.045 352 T CA 2.427 64.504 62.100 -0.039 0.000 1.152 352 T CB -0.795 68.050 68.868 -0.038 0.000 0.864 352 T HN 0.460 nan 8.240 nan 0.000 0.419 353 T N 2.837 117.370 114.554 -0.034 0.000 2.665 353 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 353 T C 2.434 177.114 174.700 -0.034 0.000 1.035 353 T CA 1.816 63.898 62.100 -0.031 0.000 1.151 353 T CB -0.655 68.192 68.868 -0.035 0.000 0.862 353 T HN 0.534 nan 8.240 nan 0.000 0.438 354 S N 1.453 117.128 115.700 -0.041 0.000 2.402 354 S HA -0.065 4.405 4.470 -0.000 0.000 0.229 354 S C 1.970 176.545 174.600 -0.041 0.000 1.021 354 S CA 0.822 58.994 58.200 -0.047 0.000 0.974 354 S CB -0.331 62.833 63.200 -0.061 0.000 0.800 354 S HN 0.482 nan 8.310 nan 0.000 0.484 355 R N 1.573 122.053 120.500 -0.034 0.000 2.062 355 R HA 0.017 4.357 4.340 -0.000 0.000 0.231 355 R C 2.554 178.840 176.300 -0.024 0.000 1.136 355 R CA 1.137 57.221 56.100 -0.027 0.000 0.948 355 R CB -0.192 30.095 30.300 -0.022 0.000 0.845 355 R HN 0.288 nan 8.270 nan 0.000 0.430 356 R N 0.170 120.657 120.500 -0.021 0.000 2.094 356 R HA -0.143 4.197 4.340 -0.000 0.000 0.239 356 R C 2.363 178.651 176.300 -0.019 0.000 1.137 356 R CA 2.206 58.296 56.100 -0.016 0.000 0.943 356 R CB -0.419 29.874 30.300 -0.012 0.000 0.850 356 R HN 0.313 nan 8.270 nan 0.000 0.433 357 I N -0.177 120.378 120.570 -0.025 0.000 2.202 357 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 357 I C 2.206 178.303 176.117 -0.034 0.000 1.091 357 I CA 1.072 62.354 61.300 -0.029 0.000 1.368 357 I CB -0.228 37.752 38.000 -0.034 0.000 1.058 357 I HN 0.007 nan 8.210 nan 0.000 0.410 358 V N 0.568 120.459 119.914 -0.039 0.000 2.392 358 V HA -0.299 3.821 4.120 -0.000 0.000 0.249 358 V C 2.484 178.556 176.094 -0.037 0.000 1.059 358 V CA 2.415 64.689 62.300 -0.044 0.000 1.051 358 V CB -0.991 30.804 31.823 -0.047 0.000 0.658 358 V HN 0.490 nan 8.190 nan 0.000 0.455 359 T N -0.022 114.515 114.554 -0.028 0.000 2.674 359 T HA -0.222 4.128 4.350 -0.000 0.000 0.265 359 T C 1.909 176.596 174.700 -0.022 0.000 1.039 359 T CA 1.987 64.074 62.100 -0.023 0.000 1.150 359 T CB -0.311 68.547 68.868 -0.016 0.000 0.864 359 T HN 0.338 nan 8.240 nan 0.000 0.427 360 M N 0.332 119.920 119.600 -0.020 0.000 2.082 360 M HA -0.121 4.359 4.480 -0.000 0.000 0.258 360 M C 2.241 178.527 176.300 -0.023 0.000 1.069 360 M CA 1.472 56.761 55.300 -0.018 0.000 1.102 360 M CB -0.641 31.949 32.600 -0.016 0.000 1.336 360 M HN 0.147 nan 8.290 nan 0.000 0.404 361 L N 0.192 121.396 121.223 -0.030 0.000 2.079 361 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 361 L C 2.513 179.360 176.870 -0.038 0.000 1.081 361 L CA 1.864 56.682 54.840 -0.037 0.000 0.752 361 L CB -0.789 41.242 42.059 -0.046 0.000 0.896 361 L HN 0.230 nan 8.230 nan 0.000 0.433 362 R N -0.734 119.744 120.500 -0.037 0.000 2.090 362 R HA -0.090 4.250 4.340 -0.000 0.000 0.228 362 R C 1.911 178.195 176.300 -0.026 0.000 1.110 362 R CA 1.030 57.109 56.100 -0.035 0.000 0.973 362 R CB -0.178 30.102 30.300 -0.034 0.000 0.869 362 R HN 0.498 nan 8.270 nan 0.000 0.440 363 E N 0.424 120.611 120.200 -0.022 0.000 2.338 363 E HA -0.085 4.265 4.350 -0.000 0.000 0.197 363 E C 1.371 177.961 176.600 -0.017 0.000 1.007 363 E CA 0.777 57.167 56.400 -0.016 0.000 0.849 363 E CB 0.131 29.823 29.700 -0.013 0.000 0.774 363 E HN 0.296 nan 8.360 nan 0.000 0.506 364 A N 0.256 123.064 122.820 -0.020 0.000 2.275 364 A HA 0.332 4.652 4.320 -0.000 0.000 0.212 364 A C 1.642 179.213 177.584 -0.022 0.000 1.201 364 A CA 0.671 52.696 52.037 -0.020 0.000 0.843 364 A CB 0.027 19.013 19.000 -0.023 0.000 0.873 364 A HN 0.304 nan 8.150 nan 0.000 0.492 365 G N -1.922 106.864 108.800 -0.023 0.000 2.176 365 G HA2 0.123 4.083 3.960 -0.000 0.000 0.232 365 G HA3 0.123 4.083 3.960 -0.000 0.000 0.232 365 G C 0.443 175.326 174.900 -0.028 0.000 0.986 365 G CA 0.100 45.186 45.100 -0.023 0.000 0.643 365 G HN 1.543 nan 8.290 nan 0.000 0.522 366 A N 0.502 123.301 122.820 -0.036 0.000 2.462 366 A HA 0.620 4.939 4.320 -0.000 0.000 0.243 366 A C 1.706 179.259 177.584 -0.052 0.000 1.076 366 A CA 1.572 53.582 52.037 -0.045 0.000 0.773 366 A CB 0.279 19.245 19.000 -0.057 0.000 1.010 366 A HN 1.448 nan 8.150 nan 0.000 0.493 367 T N 0.161 114.683 114.554 -0.053 0.000 2.894 367 T HA 0.115 4.465 4.350 -0.000 0.000 0.258 367 T C 0.469 175.115 174.700 -0.090 0.000 1.043 367 T CA 1.173 63.240 62.100 -0.054 0.000 1.141 367 T CB -0.154 68.693 68.868 -0.035 0.000 0.873 367 T HN 0.696 nan 8.240 nan 0.000 0.449 368 E N 0.394 120.509 120.200 -0.141 0.000 2.222 368 E HA 0.611 4.961 4.350 -0.000 0.000 0.267 368 E C -1.751 174.643 176.600 -0.343 0.000 0.884 368 E CA -0.870 55.354 56.400 -0.293 0.000 0.764 368 E CB 2.882 32.341 29.700 -0.401 0.000 1.169 368 E HN 0.034 nan 8.360 nan 0.000 0.413 369 V N 3.856 123.552 119.914 -0.364 0.000 2.380 369 V HA 0.224 4.344 4.120 -0.000 0.000 0.286 369 V C -0.836 175.105 176.094 -0.256 0.000 1.015 369 V CA -0.873 61.276 62.300 -0.253 0.000 0.834 369 V CB 0.946 32.688 31.823 -0.135 0.000 1.009 369 V HN 0.652 nan 8.190 nan 0.000 0.428 370 H N 3.495 122.531 119.070 -0.057 0.000 2.541 370 H HA 0.487 5.043 4.556 -0.000 0.000 0.316 370 H C -0.533 174.727 175.328 -0.114 0.000 1.043 370 H CA -0.469 55.537 56.048 -0.070 0.000 1.232 370 H CB 2.123 31.854 29.762 -0.052 0.000 1.406 370 H HN 0.386 nan 8.280 nan 0.000 0.469 371 V N 4.517 124.412 119.914 -0.031 0.000 2.383 371 V HA 0.170 4.290 4.120 -0.000 0.000 0.275 371 V C 0.245 176.224 176.094 -0.191 0.000 1.036 371 V CA -0.568 61.657 62.300 -0.125 0.000 0.889 371 V CB 1.053 32.791 31.823 -0.142 0.000 0.985 371 V HN 0.511 nan 8.190 nan 0.000 0.459 372 K N 4.760 125.020 120.400 -0.233 0.000 2.221 372 K HA 0.667 4.987 4.320 -0.000 0.000 0.258 372 K C -1.008 175.440 176.600 -0.254 0.000 0.944 372 K CA -0.414 55.721 56.287 -0.254 0.000 0.823 372 K CB 1.554 33.865 32.500 -0.315 0.000 1.113 372 K HN 0.396 nan 8.250 nan 0.000 0.431 373 I N 2.220 122.631 120.570 -0.265 0.000 2.406 373 I HA 0.156 4.326 4.170 -0.000 0.000 0.290 373 I C 0.401 176.478 176.117 -0.066 0.000 0.999 373 I CA -0.594 60.584 61.300 -0.203 0.000 1.124 373 I CB 1.637 39.407 38.000 -0.383 0.000 1.289 373 I HN 0.696 nan 8.210 nan 0.000 0.441 374 S N 3.125 118.811 115.700 -0.024 0.000 2.815 374 S HA 0.396 4.866 4.470 -0.000 0.000 0.254 374 S C 0.233 174.830 174.600 -0.005 0.000 1.197 374 S CA -0.331 57.869 58.200 0.001 0.000 1.216 374 S CB -0.324 62.884 63.200 0.013 0.000 0.871 374 S HN 0.516 nan 8.310 nan 0.000 0.473 375 S N 1.701 117.402 115.700 0.002 0.000 2.579 375 S HA 0.635 5.105 4.470 -0.000 0.000 0.272 375 S C -2.909 171.629 174.600 -0.104 0.000 1.141 375 S CA -1.190 56.936 58.200 -0.124 0.000 0.843 375 S CB 1.783 64.981 63.200 -0.004 0.000 1.122 375 S HN 0.183 nan 8.310 nan 0.000 0.468 376 P HA 0.237 nan 4.420 nan 0.000 0.271 376 P C -2.647 174.517 177.300 -0.228 0.000 1.244 376 P CA -0.980 61.923 63.100 -0.327 0.000 0.793 376 P CB -0.468 30.944 31.700 -0.481 0.000 0.984 377 P HA 0.060 nan 4.420 nan 0.000 0.266 377 P C -0.407 176.930 177.300 0.062 0.000 1.195 377 P CA 0.751 63.593 63.100 -0.429 0.000 0.768 377 P CB 0.042 31.360 31.700 -0.638 0.000 0.838 378 I N 2.451 123.076 120.570 0.093 0.000 2.276 378 I HA 0.189 4.359 4.170 -0.000 0.000 0.290 378 I C 1.108 177.188 176.117 -0.062 0.000 1.109 378 I CA 0.048 61.406 61.300 0.097 0.000 1.229 378 I CB 0.511 38.561 38.000 0.083 0.000 1.452 378 I HN 0.404 nan 8.210 nan 0.000 0.497 379 A N 5.426 128.159 122.820 -0.144 0.000 2.220 379 A HA 0.189 4.509 4.320 -0.000 0.000 0.211 379 A C 0.706 177.939 177.584 -0.585 0.000 1.176 379 A CA 0.471 52.300 52.037 -0.347 0.000 0.834 379 A CB 0.039 18.798 19.000 -0.402 0.000 0.868 379 A HN 0.572 nan 8.150 nan 0.000 0.488 380 H N -0.590 118.465 119.070 -0.025 0.000 2.710 380 H HA 0.412 4.968 4.556 -0.000 0.000 0.361 380 H C -2.768 172.557 175.328 -0.004 0.000 1.175 380 H CA -2.149 53.912 56.048 0.022 0.000 1.206 380 H CB 0.845 30.628 29.762 0.036 0.000 1.750 380 H HN 0.013 nan 8.280 nan 0.000 0.553 381 P HA 0.025 nan 4.420 nan 0.000 0.272 381 P C -0.343 176.870 177.300 -0.145 0.000 1.223 381 P CA -0.245 62.794 63.100 -0.102 0.000 0.784 381 P CB 0.660 32.175 31.700 -0.308 0.000 0.923 382 C N 2.903 121.998 119.300 -0.342 0.000 2.341 382 C HA 0.504 4.964 4.460 -0.000 0.000 0.338 382 C C 0.291 174.904 174.990 -0.628 0.000 1.257 382 C CA -0.277 58.574 59.018 -0.278 0.000 1.883 382 C CB -1.265 26.358 27.740 -0.195 0.000 2.334 382 C HN 0.546 nan 8.230 nan 0.000 0.524 383 F N 3.720 123.355 119.950 -0.526 0.000 2.698 383 F HA 0.309 4.836 4.527 -0.000 0.000 0.304 383 F C 0.242 175.715 175.800 -0.545 0.000 1.108 383 F CA -0.150 57.519 58.000 -0.551 0.000 1.263 383 F CB 0.010 38.638 39.000 -0.620 0.000 1.013 383 F HN 0.630 nan 8.300 nan 0.000 0.532 384 Y N -0.095 120.256 120.300 0.086 0.000 2.584 384 Y HA 0.619 5.169 4.550 -0.000 0.000 0.254 384 Y C 0.883 176.746 175.900 -0.061 0.000 1.177 384 Y CA -1.143 56.979 58.100 0.037 0.000 1.216 384 Y CB 0.625 39.101 38.460 0.027 0.000 1.172 384 Y HN -0.058 nan 8.280 nan 0.000 0.529 385 G N -0.153 108.631 108.800 -0.027 0.000 2.405 385 G HA2 0.231 4.191 3.960 -0.000 0.000 0.303 385 G HA3 0.231 4.191 3.960 -0.000 0.000 0.303 385 G C 0.211 174.987 174.900 -0.208 0.000 1.644 385 G CA -0.573 44.449 45.100 -0.130 0.000 0.899 385 G HN -0.023 nan 8.290 nan 0.000 0.667 386 I N 0.588 121.029 120.570 -0.215 0.000 2.226 386 I HA -0.056 4.114 4.170 -0.000 0.000 0.245 386 I C 2.219 177.971 176.117 -0.608 0.000 1.100 386 I CA 2.099 63.251 61.300 -0.247 0.000 1.374 386 I CB -1.415 36.524 38.000 -0.102 0.000 1.057 386 I HN 0.604 nan 8.210 nan 0.000 0.413 387 D N 1.799 121.623 120.400 -0.960 0.000 2.182 387 D HA -0.204 4.436 4.640 -0.000 0.000 0.201 387 D C 1.754 177.607 176.300 -0.745 0.000 0.986 387 D CA 2.060 55.234 54.000 -1.377 0.000 0.847 387 D CB -1.152 39.041 40.800 -1.011 0.000 0.942 387 D HN 0.552 nan 8.370 nan 0.000 0.467 388 T N -3.704 110.526 114.554 -0.540 0.000 3.105 388 T HA 0.340 4.690 4.350 -0.000 0.000 0.253 388 T C 0.537 175.114 174.700 -0.205 0.000 1.047 388 T CA -0.607 61.296 62.100 -0.329 0.000 0.944 388 T CB 0.064 68.751 68.868 -0.303 0.000 1.016 388 T HN -0.028 nan 8.240 nan 0.000 0.544 389 S N 0.639 116.216 115.700 -0.204 0.000 2.726 389 S HA 0.766 5.236 4.470 -0.000 0.000 0.308 389 S C -0.510 174.033 174.600 -0.095 0.000 1.115 389 S CA -0.725 57.379 58.200 -0.159 0.000 0.965 389 S CB 1.934 65.035 63.200 -0.165 0.000 1.145 389 S HN 0.359 nan 8.310 nan 0.000 0.532 390 T N -0.372 114.122 114.554 -0.101 0.000 2.912 390 T HA 0.413 4.763 4.350 -0.000 0.000 0.299 390 T C 0.252 174.852 174.700 -0.167 0.000 1.052 390 T CA -0.601 61.443 62.100 -0.093 0.000 0.996 390 T CB 0.691 69.481 68.868 -0.129 0.000 1.070 390 T HN 0.838 nan 8.240 nan 0.000 0.465 391 H N 1.148 120.001 119.070 -0.362 0.000 2.551 391 H HA 0.480 5.036 4.556 -0.000 0.000 0.266 391 H C 0.456 175.638 175.328 -0.244 0.000 0.964 391 H CA -0.196 55.490 56.048 -0.603 0.000 1.180 391 H CB 0.394 29.571 29.762 -0.975 0.000 1.408 391 H HN 0.458 nan 8.280 nan 0.000 0.563 392 E N 1.312 121.226 120.200 -0.477 0.000 2.280 392 E HA 0.055 4.405 4.350 -0.000 0.000 0.264 392 E C -0.146 176.350 176.600 -0.173 0.000 1.064 392 E CA -0.916 55.289 56.400 -0.325 0.000 0.900 392 E CB 1.058 30.520 29.700 -0.397 0.000 1.123 392 E HN 0.230 nan 8.360 nan 0.000 0.418 393 E N 1.998 122.130 120.200 -0.114 0.000 2.415 393 E HA -0.028 4.322 4.350 -0.000 0.000 0.260 393 E C -0.769 175.777 176.600 -0.090 0.000 1.016 393 E CA 0.080 56.434 56.400 -0.076 0.000 0.924 393 E CB 0.342 30.015 29.700 -0.046 0.000 0.961 393 E HN 0.372 nan 8.360 nan 0.000 0.459 394 L N 7.220 128.394 121.223 -0.081 0.000 2.385 394 L HA 0.093 4.433 4.340 -0.000 0.000 0.281 394 L C 1.746 178.563 176.870 -0.089 0.000 1.106 394 L CA -0.134 54.655 54.840 -0.085 0.000 0.856 394 L CB 0.200 42.207 42.059 -0.086 0.000 1.186 394 L HN 0.604 nan 8.230 nan 0.000 0.453 395 I N 0.059 120.555 120.570 -0.123 0.000 3.291 395 I HA 0.011 4.181 4.170 -0.000 0.000 0.279 395 I C 1.855 177.907 176.117 -0.109 0.000 1.294 395 I CA 0.799 61.976 61.300 -0.205 0.000 1.428 395 I CB -0.008 37.718 38.000 -0.457 0.000 1.070 395 I HN 0.604 nan 8.210 nan 0.000 0.478 396 A N 0.733 123.508 122.820 -0.075 0.000 2.251 396 A HA 0.132 4.452 4.320 -0.000 0.000 0.209 396 A C 2.236 179.779 177.584 -0.068 0.000 1.187 396 A CA 0.723 52.721 52.037 -0.065 0.000 0.823 396 A CB -0.445 18.471 19.000 -0.139 0.000 0.846 396 A HN 0.463 nan 8.150 nan 0.000 0.486 397 S N 0.615 116.278 115.700 -0.063 0.000 2.368 397 S HA -0.124 4.346 4.470 -0.000 0.000 0.224 397 S C 2.157 176.765 174.600 0.014 0.000 1.029 397 S CA 1.779 59.943 58.200 -0.060 0.000 0.988 397 S CB -0.162 63.010 63.200 -0.048 0.000 0.838 397 S HN 0.841 nan 8.310 nan 0.000 0.462 398 S N -0.032 115.734 115.700 0.110 0.000 2.497 398 S HA 0.215 4.685 4.470 -0.000 0.000 0.221 398 S C 0.014 174.709 174.600 0.157 0.000 1.037 398 S CA -0.267 58.025 58.200 0.153 0.000 0.920 398 S CB -0.085 63.237 63.200 0.205 0.000 0.800 398 S HN 0.443 nan 8.310 nan 0.000 0.505 399 H N 2.398 121.456 119.070 -0.020 0.000 2.492 399 H HA 0.709 5.265 4.556 -0.000 0.000 0.345 399 H C 0.175 175.496 175.328 -0.010 0.000 1.136 399 H CA -0.922 55.122 56.048 -0.007 0.000 1.202 399 H CB 1.352 31.119 29.762 0.008 0.000 1.524 399 H HN 0.284 nan 8.280 nan 0.000 0.506 400 S N 0.406 116.172 115.700 0.110 0.000 2.632 400 S HA 0.137 4.607 4.470 -0.000 0.000 0.267 400 S C 1.273 175.936 174.600 0.105 0.000 1.276 400 S CA -0.676 57.564 58.200 0.066 0.000 0.998 400 S CB 0.903 64.128 63.200 0.042 0.000 0.953 400 S HN 0.346 nan 8.310 nan 0.000 0.547 401 V N 0.989 120.963 119.914 0.101 0.000 2.453 401 V HA -0.212 3.908 4.120 -0.000 0.000 0.252 401 V C 2.209 178.396 176.094 0.156 0.000 1.068 401 V CA 2.540 64.960 62.300 0.200 0.000 1.070 401 V CB -1.191 30.765 31.823 0.222 0.000 0.664 401 V HN 1.021 nan 8.190 nan 0.000 0.461 402 D N -0.747 119.715 120.400 0.103 0.000 2.194 402 D HA -0.105 4.535 4.640 -0.000 0.000 0.204 402 D C 2.195 178.547 176.300 0.085 0.000 0.964 402 D CA 0.680 54.728 54.000 0.081 0.000 0.846 402 D CB 0.065 40.898 40.800 0.056 0.000 0.962 402 D HN 0.504 nan 8.370 nan 0.000 0.490 403 E N -0.244 120.015 120.200 0.098 0.000 2.150 403 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 403 E C 1.991 178.704 176.600 0.188 0.000 0.985 403 E CA 0.541 57.015 56.400 0.123 0.000 0.814 403 E CB 0.143 29.902 29.700 0.098 0.000 0.752 403 E HN 0.430 nan 8.360 nan 0.000 0.466 404 I N 0.481 121.157 120.570 0.178 0.000 2.286 404 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 404 I C 2.681 178.853 176.117 0.091 0.000 1.104 404 I CA 0.748 62.128 61.300 0.134 0.000 1.397 404 I CB -0.210 37.898 38.000 0.181 0.000 1.072 404 I HN 0.035 nan 8.210 nan 0.000 0.417 405 R N 1.009 121.562 120.500 0.088 0.000 2.083 405 R HA -0.222 4.118 4.340 -0.000 0.000 0.237 405 R C 2.295 178.618 176.300 0.038 0.000 1.137 405 R CA 1.752 57.880 56.100 0.047 0.000 0.951 405 R CB -0.166 30.163 30.300 0.048 0.000 0.851 405 R HN 0.422 nan 8.270 nan 0.000 0.434 406 Q N -0.286 119.544 119.800 0.050 0.000 2.096 406 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 406 Q C 2.054 178.079 176.000 0.041 0.000 0.982 406 Q CA 1.267 57.095 55.803 0.042 0.000 0.850 406 Q CB -0.029 28.737 28.738 0.046 0.000 0.901 406 Q HN 0.320 nan 8.270 nan 0.000 0.422 407 E N 0.982 121.217 120.200 0.058 0.000 2.028 407 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 407 E C 1.964 178.573 176.600 0.015 0.000 0.988 407 E CA 1.125 57.553 56.400 0.047 0.000 0.799 407 E CB -0.108 29.624 29.700 0.053 0.000 0.755 407 E HN 0.532 nan 8.360 nan 0.000 0.447 408 I N -3.276 117.297 120.570 0.006 0.000 3.111 408 I HA 0.195 4.365 4.170 -0.000 0.000 0.272 408 I C 1.356 177.464 176.117 -0.014 0.000 1.268 408 I CA 1.018 62.311 61.300 -0.012 0.000 1.467 408 I CB -0.081 37.904 38.000 -0.025 0.000 1.087 408 I HN 0.151 nan 8.210 nan 0.000 0.467 409 G N 1.342 110.138 108.800 -0.006 0.000 2.143 409 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.249 409 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.249 409 G C 0.422 175.309 174.900 -0.020 0.000 0.981 409 G CA 0.010 45.103 45.100 -0.011 0.000 0.665 409 G HN 0.975 nan 8.290 nan 0.000 0.528 410 A N -0.267 122.541 122.820 -0.020 0.000 2.498 410 A HA 0.529 4.849 4.320 -0.000 0.000 0.239 410 A C 1.128 178.706 177.584 -0.010 0.000 1.068 410 A CA 1.142 53.163 52.037 -0.027 0.000 0.766 410 A CB 0.188 19.171 19.000 -0.028 0.000 1.003 410 A HN 0.325 nan 8.150 nan 0.000 0.497 411 D N -0.388 119.996 120.400 -0.026 0.000 2.104 411 D HA -0.028 4.612 4.640 -0.000 0.000 0.194 411 D C 1.111 177.477 176.300 0.110 0.000 0.994 411 D CA 2.452 56.458 54.000 0.009 0.000 0.830 411 D CB 0.109 40.839 40.800 -0.116 0.000 0.959 411 D HN 0.816 nan 8.370 nan 0.000 0.452 412 T N -2.332 112.325 114.554 0.173 0.000 2.864 412 T HA 0.569 4.919 4.350 -0.000 0.000 0.299 412 T C -1.353 173.369 174.700 0.038 0.000 1.166 412 T CA -1.075 61.091 62.100 0.109 0.000 1.007 412 T CB 2.028 70.951 68.868 0.092 0.000 1.219 412 T HN -0.025 nan 8.240 nan 0.000 0.506 413 L N 0.814 122.031 121.223 -0.009 0.000 2.431 413 L HA 0.852 5.192 4.340 -0.000 0.000 0.266 413 L C -1.190 175.622 176.870 -0.097 0.000 0.978 413 L CA -0.206 54.579 54.840 -0.092 0.000 0.822 413 L CB 2.188 44.192 42.059 -0.092 0.000 1.310 413 L HN 0.964 nan 8.230 nan 0.000 0.409 414 S N 3.610 119.195 115.700 -0.191 0.000 2.549 414 S HA 0.810 5.280 4.470 -0.000 0.000 0.280 414 S C -1.228 173.235 174.600 -0.227 0.000 1.109 414 S CA -0.309 57.832 58.200 -0.097 0.000 0.905 414 S CB 1.405 64.579 63.200 -0.043 0.000 1.081 414 S HN 0.411 nan 8.310 nan 0.000 0.477 415 F N 0.888 120.823 119.950 -0.024 0.000 2.579 415 F HA 0.546 5.073 4.527 -0.000 0.000 0.324 415 F C 0.201 175.971 175.800 -0.051 0.000 1.058 415 F CA -0.951 57.024 58.000 -0.043 0.000 0.944 415 F CB 0.901 39.872 39.000 -0.047 0.000 1.245 415 F HN 0.304 nan 8.300 nan 0.000 0.477 416 L N 1.397 122.691 121.223 0.118 0.000 2.464 416 L HA 0.293 4.633 4.340 -0.000 0.000 0.264 416 L C 0.304 177.172 176.870 -0.004 0.000 1.199 416 L CA -0.224 54.633 54.840 0.028 0.000 0.818 416 L CB 1.061 43.104 42.059 -0.026 0.000 1.102 416 L HN 0.811 nan 8.230 nan 0.000 0.473 417 S N 0.436 116.123 115.700 -0.022 0.000 2.617 417 S HA 0.230 4.700 4.470 -0.000 0.000 0.283 417 S C 0.978 175.533 174.600 -0.074 0.000 1.189 417 S CA -1.016 57.161 58.200 -0.038 0.000 1.036 417 S CB 1.751 64.941 63.200 -0.016 0.000 1.014 417 S HN 0.357 nan 8.310 nan 0.000 0.522 418 V N 1.590 121.457 119.914 -0.079 0.000 2.324 418 V HA -0.213 3.907 4.120 -0.000 0.000 0.250 418 V C 2.739 178.804 176.094 -0.048 0.000 1.060 418 V CA 2.448 64.703 62.300 -0.075 0.000 1.042 418 V CB -1.174 30.634 31.823 -0.025 0.000 0.650 418 V HN 1.057 nan 8.190 nan 0.000 0.450 419 E N 0.292 120.472 120.200 -0.033 0.000 2.031 419 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 419 E C 2.335 178.914 176.600 -0.034 0.000 0.994 419 E CA 1.395 57.779 56.400 -0.026 0.000 0.800 419 E CB -0.488 29.201 29.700 -0.019 0.000 0.752 419 E HN 0.582 nan 8.360 nan 0.000 0.447 420 G N 1.346 110.124 108.800 -0.036 0.000 2.442 420 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 420 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 420 G C 1.520 176.391 174.900 -0.049 0.000 1.141 420 G CA 0.902 45.980 45.100 -0.036 0.000 0.763 420 G HN 0.299 nan 8.290 nan 0.000 0.554 421 L N 0.306 121.490 121.223 -0.066 0.000 2.005 421 L HA 0.128 4.468 4.340 -0.000 0.000 0.207 421 L C 2.691 179.517 176.870 -0.073 0.000 1.072 421 L CA 1.400 56.192 54.840 -0.080 0.000 0.744 421 L CB -0.375 41.608 42.059 -0.126 0.000 0.895 421 L HN 0.191 nan 8.230 nan 0.000 0.433 422 L N -0.483 120.705 121.223 -0.058 0.000 2.131 422 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 422 L C 2.625 179.456 176.870 -0.065 0.000 1.092 422 L CA 1.513 56.321 54.840 -0.054 0.000 0.759 422 L CB -0.600 41.444 42.059 -0.026 0.000 0.903 422 L HN 0.327 nan 8.230 nan 0.000 0.435 423 K N 0.208 120.575 120.400 -0.055 0.000 2.062 423 K HA -0.088 4.232 4.320 -0.000 0.000 0.205 423 K C 2.107 178.670 176.600 -0.063 0.000 1.051 423 K CA 1.164 57.420 56.287 -0.052 0.000 0.941 423 K CB -0.228 32.248 32.500 -0.041 0.000 0.719 423 K HN 0.271 nan 8.250 nan 0.000 0.440 424 G N 1.307 110.068 108.800 -0.065 0.000 2.433 424 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 424 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 424 G C 1.495 176.340 174.900 -0.091 0.000 1.186 424 G CA 0.947 46.007 45.100 -0.067 0.000 0.779 424 G HN 0.234 nan 8.290 nan 0.000 0.543 425 I N 0.737 121.227 120.570 -0.134 0.000 2.179 425 I HA 0.034 4.204 4.170 -0.000 0.000 0.242 425 I C 2.145 178.148 176.117 -0.190 0.000 1.088 425 I CA 1.225 62.387 61.300 -0.229 0.000 1.357 425 I CB -0.266 37.493 38.000 -0.402 0.000 1.051 425 I HN 0.406 nan 8.210 nan 0.000 0.409 426 G N 1.438 110.153 108.800 -0.142 0.000 2.140 426 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.211 426 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.211 426 G C 0.065 174.911 174.900 -0.090 0.000 1.013 426 G CA -0.519 44.522 45.100 -0.098 0.000 0.705 426 G HN 0.298 nan 8.290 nan 0.000 0.508 427 R N -0.016 120.434 120.500 -0.085 0.000 2.390 427 R HA 0.370 4.710 4.340 -0.000 0.000 0.291 427 R C 0.593 176.849 176.300 -0.072 0.000 1.070 427 R CA -0.341 55.731 56.100 -0.046 0.000 1.014 427 R CB 0.624 30.985 30.300 0.101 0.000 1.007 427 R HN -0.031 nan 8.270 nan 0.000 0.466 428 K N 2.968 123.266 120.400 -0.171 0.000 2.708 428 K HA 0.075 4.395 4.320 -0.000 0.000 0.219 428 K C -0.584 175.893 176.600 -0.205 0.000 1.068 428 K CA -0.004 56.187 56.287 -0.160 0.000 1.212 428 K CB 0.022 32.422 32.500 -0.166 0.000 0.978 428 K HN 0.452 nan 8.250 nan 0.000 0.475 429 Y N 2.693 122.986 120.300 -0.011 0.000 2.436 429 Y HA -0.052 4.498 4.550 -0.000 0.000 0.336 429 Y C 0.922 176.817 175.900 -0.008 0.000 1.049 429 Y CA -0.996 57.101 58.100 -0.005 0.000 1.294 429 Y CB 0.298 38.756 38.460 -0.002 0.000 1.179 429 Y HN 0.196 nan 8.280 nan 0.000 0.520 430 D N 5.353 125.839 120.400 0.144 0.000 2.358 430 D HA 0.157 4.797 4.640 -0.000 0.000 0.258 430 D C -0.527 175.836 176.300 0.104 0.000 1.223 430 D CA 0.034 54.087 54.000 0.088 0.000 0.886 430 D CB 0.523 41.355 40.800 0.052 0.000 1.120 430 D HN 0.781 nan 8.370 nan 0.000 0.482 431 D N 0.622 121.064 120.400 0.071 0.000 3.257 431 D HA -0.144 4.496 4.640 -0.000 0.000 0.289 431 D C 0.307 176.630 176.300 0.039 0.000 0.958 431 D CA -0.202 53.825 54.000 0.045 0.000 0.772 431 D CB -0.358 40.463 40.800 0.035 0.000 2.574 431 D HN 0.297 nan 8.370 nan 0.000 0.515 432 S N 1.259 116.972 115.700 0.023 0.000 2.421 432 S HA -0.280 4.190 4.470 -0.000 0.000 0.239 432 S C 1.003 175.614 174.600 0.019 0.000 1.054 432 S CA 1.817 60.027 58.200 0.016 0.000 1.035 432 S CB -0.540 62.666 63.200 0.010 0.000 0.840 432 S HN 0.600 nan 8.310 nan 0.000 0.475 433 N N -0.386 118.328 118.700 0.023 0.000 2.204 433 N HA 0.246 4.986 4.740 -0.000 0.000 0.219 433 N C -0.058 175.476 175.510 0.040 0.000 1.151 433 N CA 0.278 53.343 53.050 0.025 0.000 0.867 433 N CB -0.128 38.368 38.487 0.015 0.000 1.043 433 N HN 0.413 nan 8.380 nan 0.000 0.516 434 C N 0.661 120.000 119.300 0.065 0.000 4.184 434 C HA -0.154 4.306 4.460 -0.000 0.000 0.295 434 C C 1.562 176.652 174.990 0.166 0.000 1.477 434 C CA 0.457 59.552 59.018 0.128 0.000 2.037 434 C CB -2.381 25.405 27.740 0.078 0.000 1.282 434 C HN 0.733 nan 8.230 nan 0.000 0.783 435 G N -0.587 108.238 108.800 0.042 0.000 2.147 435 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.244 435 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.244 435 G C -0.290 174.572 174.900 -0.063 0.000 1.005 435 G CA 0.653 45.679 45.100 -0.124 0.000 0.713 435 G HN 0.797 nan 8.290 nan 0.000 0.515 436 Q N -1.186 118.614 119.800 0.000 0.000 2.297 436 Q HA 0.596 4.936 4.340 -0.000 0.000 0.268 436 Q C 0.145 176.151 176.000 0.008 0.000 1.045 436 Q CA -0.621 55.201 55.803 0.032 0.000 0.861 436 Q CB 2.426 31.206 28.738 0.070 0.000 1.344 436 Q HN 0.514 nan 8.270 nan 0.000 0.452 437 C N 2.758 122.061 119.300 0.006 0.000 2.369 437 C HA 0.481 4.941 4.460 -0.000 0.000 0.358 437 C C 0.509 175.498 174.990 -0.001 0.000 1.274 437 C CA -0.286 58.714 59.018 -0.030 0.000 1.935 437 C CB -1.058 26.645 27.740 -0.062 0.000 2.431 437 C HN 0.874 nan 8.230 nan 0.000 0.545 438 L N 5.475 126.682 121.223 -0.028 0.000 3.184 438 L HA 0.265 4.605 4.340 -0.000 0.000 0.283 438 L C 2.110 178.870 176.870 -0.183 0.000 1.218 438 L CA 0.305 55.156 54.840 0.017 0.000 1.028 438 L CB -0.496 41.659 42.059 0.160 0.000 1.400 438 L HN 0.844 nan 8.230 nan 0.000 0.591 439 A N 1.145 123.782 122.820 -0.304 0.000 1.869 439 A HA -0.333 3.987 4.320 -0.000 0.000 0.218 439 A C 2.496 179.796 177.584 -0.472 0.000 1.203 439 A CA 2.479 54.175 52.037 -0.567 0.000 0.638 439 A CB -1.238 17.155 19.000 -1.012 0.000 0.831 439 A HN 0.704 nan 8.150 nan 0.000 0.450 440 C N -1.976 117.065 119.300 -0.431 0.000 2.396 440 C HA -0.162 4.298 4.460 -0.000 0.000 0.279 440 C C 2.277 177.147 174.990 -0.200 0.000 1.229 440 C CA 1.035 59.854 59.018 -0.332 0.000 1.801 440 C CB -2.133 25.310 27.740 -0.494 0.000 2.050 440 C HN 0.466 nan 8.230 nan 0.000 0.491 441 F N 2.308 122.292 119.950 0.057 0.000 2.220 441 F HA 0.111 4.638 4.527 -0.000 0.000 0.290 441 F C 2.823 178.691 175.800 0.114 0.000 1.080 441 F CA 1.531 59.565 58.000 0.057 0.000 1.318 441 F CB -1.433 37.569 39.000 0.003 0.000 1.063 441 F HN 0.344 nan 8.300 nan 0.000 0.498 442 T N -3.847 110.792 114.554 0.142 0.000 3.037 442 T HA 0.454 4.804 4.350 -0.000 0.000 0.252 442 T C 1.804 176.327 174.700 -0.294 0.000 1.073 442 T CA 0.667 62.773 62.100 0.011 0.000 1.091 442 T CB 0.208 69.071 68.868 -0.009 0.000 0.935 442 T HN 0.476 nan 8.240 nan 0.000 0.488 443 G N 1.517 109.869 108.800 -0.746 0.000 2.175 443 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.244 443 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.244 443 G C -0.088 174.556 174.900 -0.426 0.000 0.982 443 G CA -0.092 44.367 45.100 -1.069 0.000 0.641 443 G HN 0.632 nan 8.290 nan 0.000 0.527 444 K N 0.690 120.879 120.400 -0.351 0.000 2.281 444 K HA 0.522 4.842 4.320 -0.000 0.000 0.272 444 K C -0.695 175.762 176.600 -0.237 0.000 1.048 444 K CA -0.576 55.611 56.287 -0.166 0.000 0.898 444 K CB 0.807 33.247 32.500 -0.099 0.000 1.128 444 K HN 0.240 nan 8.250 nan 0.000 0.460 445 Y N 2.851 123.142 120.300 -0.016 0.000 2.301 445 Y HA 0.138 4.688 4.550 -0.000 0.000 0.325 445 Y C -1.070 174.855 175.900 0.041 0.000 1.203 445 Y CA -1.964 56.175 58.100 0.066 0.000 1.255 445 Y CB 0.670 39.180 38.460 0.083 0.000 1.232 445 Y HN 0.515 nan 8.280 nan 0.000 0.501 446 P HA 0.115 nan 4.420 nan 0.000 0.257 446 P C -0.378 176.949 177.300 0.044 0.000 1.325 446 P CA 0.441 63.562 63.100 0.035 0.000 0.850 446 P CB 0.552 32.209 31.700 -0.071 0.000 1.324 447 T N 0.294 114.929 114.554 0.134 0.000 2.821 447 T HA 0.235 4.585 4.350 -0.000 0.000 0.306 447 T C -1.317 173.388 174.700 0.008 0.000 1.313 447 T CA -0.652 61.502 62.100 0.089 0.000 1.012 447 T CB 2.202 71.184 68.868 0.191 0.000 1.298 447 T HN -0.011 nan 8.240 nan 0.000 0.502 448 E N 2.322 122.460 120.200 -0.103 0.000 2.229 448 E HA 0.351 4.701 4.350 -0.000 0.000 0.283 448 E C -0.693 175.550 176.600 -0.596 0.000 1.030 448 E CA -0.558 55.664 56.400 -0.296 0.000 0.836 448 E CB 0.800 30.350 29.700 -0.250 0.000 1.068 448 E HN 0.309 nan 8.360 nan 0.000 0.401 449 I N 3.150 123.317 120.570 -0.672 0.000 2.359 449 I HA 0.246 4.416 4.170 -0.000 0.000 0.294 449 I C -0.036 175.566 176.117 -0.859 0.000 0.987 449 I CA -1.129 59.676 61.300 -0.825 0.000 1.225 449 I CB -0.026 37.371 38.000 -1.004 0.000 1.366 449 I HN 0.443 nan 8.210 nan 0.000 0.466 450 Y N 3.878 124.027 120.300 -0.252 0.000 2.374 450 Y HA 0.136 4.686 4.550 -0.000 0.000 0.322 450 Y C 1.622 177.414 175.900 -0.180 0.000 1.275 450 Y CA -0.531 57.468 58.100 -0.168 0.000 1.307 450 Y CB 0.627 39.020 38.460 -0.112 0.000 1.282 450 Y HN 0.539 nan 8.280 nan 0.000 0.509 451 Q N 0.813 120.641 119.800 0.046 0.000 2.224 451 Q HA -0.169 4.171 4.340 -0.000 0.000 0.203 451 Q C 0.390 176.390 176.000 0.001 0.000 0.970 451 Q CA 2.088 57.884 55.803 -0.012 0.000 0.865 451 Q CB -0.881 27.858 28.738 0.002 0.000 0.922 451 Q HN 0.945 nan 8.270 nan 0.000 0.445 452 D N 0.256 120.682 120.400 0.044 0.000 2.347 452 D HA -0.008 4.632 4.640 -0.000 0.000 0.213 452 D C -0.166 176.149 176.300 0.025 0.000 0.985 452 D CA 0.263 54.276 54.000 0.022 0.000 0.879 452 D CB -0.137 40.664 40.800 0.002 0.000 0.919 452 D HN -0.033 nan 8.370 nan 0.000 0.526 453 T N 1.369 115.938 114.554 0.024 0.000 2.853 453 T HA 0.300 4.650 4.350 -0.000 0.000 0.298 453 T C 0.430 175.159 174.700 0.048 0.000 0.978 453 T CA -0.532 61.573 62.100 0.008 0.000 1.152 453 T CB 1.127 69.897 68.868 -0.164 0.000 0.914 453 T HN 0.173 nan 8.240 nan 0.000 0.539 454 V N 2.549 122.518 119.914 0.092 0.000 3.096 454 V HA 0.629 4.749 4.120 -0.000 0.000 0.319 454 V C 0.096 176.295 176.094 0.176 0.000 1.082 454 V CA -1.366 60.994 62.300 0.100 0.000 1.022 454 V CB 0.938 32.757 31.823 -0.007 0.000 1.103 454 V HN 0.746 nan 8.190 nan 0.000 0.455 455 L N 2.973 124.236 121.223 0.067 0.000 2.410 455 L HA 0.260 4.600 4.340 -0.000 0.000 0.273 455 L C -1.240 175.589 176.870 -0.068 0.000 1.152 455 L CA -1.168 53.636 54.840 -0.060 0.000 0.855 455 L CB 1.003 43.046 42.059 -0.027 0.000 1.129 455 L HN 0.536 nan 8.230 nan 0.000 0.463 456 P HA -0.295 nan 4.420 nan 0.000 0.222 456 P C 1.422 178.733 177.300 0.017 0.000 1.157 456 P CA 1.822 64.930 63.100 0.013 0.000 0.905 456 P CB -0.184 31.518 31.700 0.003 0.000 0.792 457 H N -1.506 117.547 119.070 -0.028 0.000 2.421 457 H HA -0.036 4.520 4.556 -0.000 0.000 0.298 457 H C 1.683 176.999 175.328 -0.021 0.000 1.087 457 H CA 1.166 57.198 56.048 -0.027 0.000 1.330 457 H CB -1.345 28.387 29.762 -0.050 0.000 1.388 457 H HN -0.009 nan 8.280 nan 0.000 0.526 458 V N 1.656 121.209 119.914 -0.601 0.000 2.720 458 V HA -0.203 3.917 4.120 -0.000 0.000 0.256 458 V C 1.716 177.714 176.094 -0.160 0.000 1.082 458 V CA 1.800 63.852 62.300 -0.413 0.000 1.101 458 V CB -0.534 31.045 31.823 -0.407 0.000 0.693 458 V HN 0.404 nan 8.190 nan 0.000 0.479 459 K N 1.604 121.944 120.400 -0.101 0.000 2.836 459 K HA 0.009 4.329 4.320 -0.000 0.000 0.236 459 K C 0.552 177.142 176.600 -0.017 0.000 1.015 459 K CA -0.094 56.166 56.287 -0.044 0.000 1.194 459 K CB -0.240 32.249 32.500 -0.017 0.000 1.002 459 K HN 0.594 nan 8.250 nan 0.000 0.479 460 E N 0.672 120.861 120.200 -0.018 0.000 2.343 460 E HA 0.216 4.566 4.350 -0.000 0.000 0.269 460 E C -0.158 176.450 176.600 0.013 0.000 1.047 460 E CA -0.196 56.209 56.400 0.009 0.000 0.874 460 E CB 1.456 31.164 29.700 0.014 0.000 1.033 460 E HN 0.065 nan 8.360 nan 0.000 0.409 461 A N 3.803 126.639 122.820 0.027 0.000 3.110 461 A HA 0.305 4.625 4.320 -0.000 0.000 0.206 461 A C 0.302 177.905 177.584 0.032 0.000 2.150 461 A CA -0.031 52.024 52.037 0.031 0.000 1.708 461 A CB -0.462 18.565 19.000 0.045 0.000 1.207 461 A HN 0.419 nan 8.150 nan 0.000 0.367 462 V N 2.756 122.694 119.914 0.040 0.000 2.617 462 V HA -0.040 4.080 4.120 -0.000 0.000 0.304 462 V C 1.914 178.025 176.094 0.029 0.000 1.040 462 V CA 0.896 63.218 62.300 0.037 0.000 1.149 462 V CB 0.157 32.008 31.823 0.046 0.000 0.914 462 V HN 0.697 nan 8.190 nan 0.000 0.487 463 L N 3.588 124.826 121.223 0.025 0.000 2.021 463 L HA -0.168 4.172 4.340 -0.000 0.000 0.215 463 L C 1.587 178.469 176.870 0.020 0.000 1.074 463 L CA 2.194 57.047 54.840 0.021 0.000 0.760 463 L CB -1.196 40.875 42.059 0.019 0.000 0.889 463 L HN 0.853 nan 8.230 nan 0.000 0.433 464 T N -1.337 113.230 114.554 0.023 0.000 13.579 464 T HA -0.381 3.969 4.350 -0.000 0.000 0.419 464 T C 0.623 175.334 174.700 0.018 0.000 1.441 464 T CA 2.259 64.372 62.100 0.022 0.000 2.351 464 T CB -1.021 67.859 68.868 0.021 0.000 2.790 464 T HN 0.660 nan 8.240 nan 0.000 0.520 465 K N 0.000 120.410 120.400 0.017 0.000 2.780 465 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 465 K CA 0.000 56.296 56.287 0.016 0.000 0.838 465 K CB 0.000 32.510 32.500 0.016 0.000 1.064 465 K HN 0.000 nan 8.250 nan 0.000 0.543