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 2vfs_1_A DATA FIRST_RESID 5 DATA SEQUENCE TVTNWAGNIT YTAKELLRPH SLDALRALVA DSARVRVLGS GHSFNEIAEP DATA SEQUENCE GDGGVLLSLA GLPSVVDVDT AARTVRVGGG VRYAELARVV HARGLALPNM DATA SEQUENCE ASLPHISVAG SVATGTHGSG VGNGSLASVV REVELVTADG STVVIARGDE DATA SEQUENCE RFGGAVTSLG ALGVVTSLTL DLEPAYEMEQ HVFTELPLAG LDPATFETVM DATA SEQUENCE AAAYSVSLFT DWRAPGFRQV WLKRRTDRPL DGFPYAAPAA EKMHPVPGMP DATA SEQUENCE AVNCTEQFGV PGPWHERLPH FRAEFTPSSG AELQSEYLMP REHALAALHA DATA SEQUENCE MDAIRETLAP VLQTCEIRTV AADAQWLSPA YGRDTVAAHF TWVEDTAAVL DATA SEQUENCE PVVRRLEEAL VPFAARPHWG KVFTVPAGEL RALYPRLADF GALAGALDPA DATA SEQUENCE GKFTNAFVRG VLAG 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.719 174.700 0.032 0.000 1.109 5 T CA 0.000 62.111 62.100 0.019 0.000 1.349 5 T CB 0.000 68.868 68.868 0.001 0.000 0.612 6 V N 3.850 123.806 119.914 0.071 0.000 2.394 6 V HA 0.792 4.913 4.120 0.001 0.000 0.282 6 V C 0.761 176.912 176.094 0.095 0.000 1.031 6 V CA -0.554 61.821 62.300 0.126 0.000 0.881 6 V CB 1.473 33.426 31.823 0.217 0.000 0.982 6 V HN 1.071 nan 8.190 nan 0.000 0.451 7 T N 1.226 115.794 114.554 0.023 0.000 2.942 7 T HA 0.511 4.861 4.350 0.001 0.000 0.289 7 T C -0.116 174.559 174.700 -0.042 0.000 1.044 7 T CA -0.931 61.094 62.100 -0.125 0.000 1.023 7 T CB 1.818 70.607 68.868 -0.131 0.000 1.123 7 T HN 0.665 nan 8.240 nan 0.000 0.512 8 N N 0.152 118.756 118.700 -0.159 0.000 2.327 8 N HA 0.023 4.763 4.740 0.001 0.000 0.257 8 N C 0.717 176.186 175.510 -0.068 0.000 1.281 8 N CA -0.916 52.109 53.050 -0.042 0.000 0.942 8 N CB -0.039 38.383 38.487 -0.109 0.000 1.199 8 N HN 0.949 nan 8.380 nan 0.000 0.532 9 W N 0.494 121.598 121.300 -0.326 0.000 2.355 9 W HA 0.038 4.698 4.660 0.000 0.000 0.309 9 W C 2.134 178.488 176.519 -0.274 0.000 1.206 9 W CA 2.638 59.757 57.345 -0.378 0.000 1.284 9 W CB -0.602 28.406 29.460 -0.754 0.000 1.145 9 W HN 0.681 nan 8.180 nan 0.000 0.502 10 A N 0.081 122.795 122.820 -0.176 0.000 2.119 10 A HA 0.207 4.528 4.320 0.001 0.000 0.217 10 A C 1.978 179.450 177.584 -0.186 0.000 1.153 10 A CA 1.645 53.561 52.037 -0.202 0.000 0.692 10 A CB -1.294 17.788 19.000 0.136 0.000 0.799 10 A HN 1.023 nan 8.150 nan 0.000 0.458 11 G N 0.258 108.951 108.800 -0.179 0.000 2.184 11 G HA2 -0.378 3.582 3.960 0.001 0.000 0.264 11 G HA3 -0.378 3.582 3.960 0.001 0.000 0.264 11 G C 0.735 175.572 174.900 -0.105 0.000 0.975 11 G CA 0.836 45.847 45.100 -0.149 0.000 0.642 11 G HN 0.890 nan 8.290 nan 0.000 0.536 12 N N 0.087 118.748 118.700 -0.065 0.000 2.446 12 N HA 0.065 4.805 4.740 0.001 0.000 0.179 12 N C 0.596 176.058 175.510 -0.080 0.000 1.054 12 N CA 0.726 53.757 53.050 -0.032 0.000 0.905 12 N CB 0.254 38.775 38.487 0.056 0.000 0.973 12 N HN 0.367 nan 8.380 nan 0.000 0.448 13 I N 1.765 122.237 120.570 -0.163 0.000 2.382 13 I HA 0.226 4.396 4.170 0.001 0.000 0.286 13 I C -0.486 175.366 176.117 -0.443 0.000 1.002 13 I CA -0.331 60.801 61.300 -0.281 0.000 1.135 13 I CB 1.294 39.094 38.000 -0.332 0.000 1.288 13 I HN -0.186 nan 8.210 nan 0.000 0.448 14 T N 6.520 120.871 114.554 -0.338 0.000 2.758 14 T HA 0.480 4.831 4.350 0.001 0.000 0.285 14 T C -0.290 174.247 174.700 -0.273 0.000 0.981 14 T CA -0.303 61.616 62.100 -0.301 0.000 0.965 14 T CB 0.412 69.199 68.868 -0.135 0.000 0.927 14 T HN 0.113 nan 8.240 nan 0.000 0.448 15 Y N 1.339 121.634 120.300 -0.009 0.000 2.304 15 Y HA 0.253 4.803 4.550 0.000 0.000 0.327 15 Y C 1.566 177.465 175.900 -0.002 0.000 1.209 15 Y CA -0.793 57.305 58.100 -0.004 0.000 1.299 15 Y CB 0.321 38.777 38.460 -0.007 0.000 1.249 15 Y HN 0.446 nan 8.280 nan 0.000 0.519 16 T N 2.638 117.296 114.554 0.174 0.000 2.848 16 T HA 0.327 4.677 4.350 0.001 0.000 0.283 16 T C 0.469 175.216 174.700 0.078 0.000 0.919 16 T CA -0.345 61.811 62.100 0.093 0.000 1.071 16 T CB -0.381 68.529 68.868 0.070 0.000 0.912 16 T HN 0.720 nan 8.240 nan 0.000 0.570 17 A N 3.921 126.780 122.820 0.065 0.000 3.197 17 A HA 0.250 4.571 4.320 0.001 0.000 0.263 17 A C 1.877 179.476 177.584 0.024 0.000 1.524 17 A CA -0.514 51.553 52.037 0.051 0.000 1.176 17 A CB -0.393 18.642 19.000 0.057 0.000 1.096 17 A HN 0.863 nan 8.150 nan 0.000 0.655 18 K N 1.452 121.862 120.400 0.016 0.000 2.049 18 K HA -0.222 4.098 4.320 0.001 0.000 0.219 18 K C 0.463 177.063 176.600 0.000 0.000 1.056 18 K CA 2.229 58.519 56.287 0.006 0.000 0.946 18 K CB -0.100 32.399 32.500 -0.001 0.000 0.723 18 K HN 0.743 nan 8.250 nan 0.000 0.453 19 E N -0.453 119.744 120.200 -0.005 0.000 2.363 19 E HA 0.274 4.624 4.350 0.001 0.000 0.281 19 E C -1.673 174.918 176.600 -0.016 0.000 0.953 19 E CA -1.002 55.394 56.400 -0.008 0.000 0.778 19 E CB 1.040 30.734 29.700 -0.011 0.000 1.220 19 E HN 0.073 nan 8.360 nan 0.000 0.431 20 L N 3.070 124.285 121.223 -0.014 0.000 2.275 20 L HA 0.466 4.806 4.340 0.001 0.000 0.288 20 L C -1.469 175.384 176.870 -0.029 0.000 1.046 20 L CA -0.361 54.465 54.840 -0.024 0.000 0.805 20 L CB 0.861 42.911 42.059 -0.015 0.000 1.193 20 L HN 0.631 nan 8.230 nan 0.000 0.426 21 L N 5.794 126.994 121.223 -0.039 0.000 2.346 21 L HA 0.615 4.955 4.340 0.001 0.000 0.276 21 L C 0.106 176.933 176.870 -0.070 0.000 1.006 21 L CA -0.611 54.200 54.840 -0.048 0.000 0.817 21 L CB 1.722 43.756 42.059 -0.041 0.000 1.272 21 L HN 0.605 nan 8.230 nan 0.000 0.421 22 R N 3.575 124.009 120.500 -0.111 0.000 2.653 22 R HA 0.308 4.648 4.340 0.001 0.000 0.269 22 R C -2.547 173.547 176.300 -0.342 0.000 1.603 22 R CA -1.383 54.611 56.100 -0.177 0.000 1.671 22 R CB 0.836 31.047 30.300 -0.149 0.000 1.300 22 R HN 0.318 nan 8.270 nan 0.000 0.668 23 P HA -0.007 nan 4.420 nan 0.000 0.267 23 P C -0.337 176.783 177.300 -0.301 0.000 1.200 23 P CA 0.148 63.114 63.100 -0.225 0.000 0.772 23 P CB 0.832 32.480 31.700 -0.088 0.000 0.855 24 H N -1.274 117.799 119.070 0.004 0.000 2.622 24 H HA 0.164 4.720 4.556 -0.000 0.000 0.269 24 H C 0.762 176.092 175.328 0.003 0.000 0.977 24 H CA 0.000 56.050 56.048 0.003 0.000 1.179 24 H CB 0.465 30.228 29.762 0.003 0.000 1.458 24 H HN 0.469 nan 8.280 nan 0.000 0.531 25 S N -0.903 114.845 115.700 0.080 0.000 2.588 25 S HA 0.253 4.724 4.470 0.001 0.000 0.275 25 S C 0.567 175.182 174.600 0.025 0.000 1.130 25 S CA -0.873 57.357 58.200 0.050 0.000 0.855 25 S CB 1.394 64.623 63.200 0.049 0.000 1.116 25 S HN 0.116 nan 8.310 nan 0.000 0.472 26 L N 0.739 121.973 121.223 0.020 0.000 2.093 26 L HA -0.042 4.299 4.340 0.001 0.000 0.208 26 L C 2.398 179.276 176.870 0.014 0.000 1.085 26 L CA 1.875 56.723 54.840 0.013 0.000 0.755 26 L CB -0.624 41.441 42.059 0.010 0.000 0.904 26 L HN 0.922 nan 8.230 nan 0.000 0.435 27 D N 0.145 120.554 120.400 0.016 0.000 2.116 27 D HA -0.240 4.401 4.640 0.001 0.000 0.193 27 D C 2.153 178.462 176.300 0.015 0.000 0.998 27 D CA 1.625 55.634 54.000 0.015 0.000 0.836 27 D CB 0.139 40.949 40.800 0.016 0.000 0.951 27 D HN 0.277 nan 8.370 nan 0.000 0.449 28 A N 0.199 123.029 122.820 0.016 0.000 1.898 28 A HA -0.079 4.241 4.320 0.001 0.000 0.216 28 A C 2.104 179.691 177.584 0.005 0.000 1.181 28 A CA 1.300 53.344 52.037 0.012 0.000 0.620 28 A CB -0.850 18.159 19.000 0.015 0.000 0.819 28 A HN 0.424 nan 8.150 nan 0.000 0.442 29 L N 0.332 121.557 121.223 0.004 0.000 2.017 29 L HA -0.133 4.208 4.340 0.001 0.000 0.208 29 L C 2.242 179.124 176.870 0.020 0.000 1.073 29 L CA 2.079 56.922 54.840 0.006 0.000 0.745 29 L CB -1.383 40.678 42.059 0.003 0.000 0.894 29 L HN 0.413 nan 8.230 nan 0.000 0.432 30 R N -0.190 120.322 120.500 0.020 0.000 2.081 30 R HA -0.109 4.231 4.340 0.001 0.000 0.235 30 R C 2.246 178.561 176.300 0.024 0.000 1.131 30 R CA 1.453 57.569 56.100 0.027 0.000 0.960 30 R CB -0.535 29.778 30.300 0.022 0.000 0.856 30 R HN 0.556 nan 8.270 nan 0.000 0.436 31 A N 1.331 124.160 122.820 0.016 0.000 1.898 31 A HA -0.130 4.191 4.320 0.001 0.000 0.216 31 A C 2.095 179.683 177.584 0.006 0.000 1.181 31 A CA 0.947 52.990 52.037 0.010 0.000 0.620 31 A CB -0.431 18.574 19.000 0.008 0.000 0.819 31 A HN 0.254 nan 8.150 nan 0.000 0.442 32 L N 0.119 121.346 121.223 0.005 0.000 2.012 32 L HA -0.118 4.222 4.340 0.001 0.000 0.210 32 L C 2.274 179.143 176.870 -0.002 0.000 1.073 32 L CA 2.163 57.002 54.840 -0.002 0.000 0.748 32 L CB -0.791 41.265 42.059 -0.005 0.000 0.891 32 L HN 0.127 nan 8.230 nan 0.000 0.431 33 V N 0.352 120.279 119.914 0.020 0.000 2.307 33 V HA -0.249 3.872 4.120 0.001 0.000 0.245 33 V C 2.875 178.970 176.094 0.002 0.000 1.045 33 V CA 1.637 63.956 62.300 0.032 0.000 1.024 33 V CB -1.401 30.496 31.823 0.123 0.000 0.651 33 V HN 0.640 nan 8.190 nan 0.000 0.449 34 A N -0.135 122.694 122.820 0.016 0.000 1.933 34 A HA -0.294 4.026 4.320 0.001 0.000 0.218 34 A C 1.987 179.562 177.584 -0.015 0.000 1.175 34 A CA 2.235 54.275 52.037 0.006 0.000 0.628 34 A CB -0.605 18.403 19.000 0.013 0.000 0.814 34 A HN 0.588 nan 8.150 nan 0.000 0.444 35 D N -0.841 119.549 120.400 -0.016 0.000 2.355 35 D HA 0.085 4.726 4.640 0.001 0.000 0.218 35 D C 0.047 176.325 176.300 -0.036 0.000 1.004 35 D CA 0.316 54.303 54.000 -0.022 0.000 0.880 35 D CB 0.061 40.852 40.800 -0.014 0.000 0.911 35 D HN 0.282 nan 8.370 nan 0.000 0.528 36 S N -0.627 115.040 115.700 -0.054 0.000 2.525 36 S HA 0.584 5.054 4.470 0.001 0.000 0.290 36 S C 0.804 175.341 174.600 -0.106 0.000 1.152 36 S CA -0.386 57.769 58.200 -0.075 0.000 1.072 36 S CB 1.864 65.013 63.200 -0.085 0.000 1.027 36 S HN 0.216 nan 8.310 nan 0.000 0.500 37 A N 2.953 125.716 122.820 -0.096 0.000 1.975 37 A HA 0.203 4.523 4.320 0.001 0.000 0.215 37 A C 0.809 178.302 177.584 -0.151 0.000 1.170 37 A CA 0.769 52.744 52.037 -0.104 0.000 0.656 37 A CB 0.156 19.115 19.000 -0.068 0.000 0.821 37 A HN 0.629 nan 8.150 nan 0.000 0.449 38 R N -0.904 119.500 120.500 -0.160 0.000 2.604 38 R HA 0.584 4.925 4.340 0.001 0.000 0.281 38 R C -2.061 174.115 176.300 -0.206 0.000 1.020 38 R CA -0.302 55.684 56.100 -0.191 0.000 0.899 38 R CB 2.232 32.469 30.300 -0.105 0.000 1.205 38 R HN 0.031 nan 8.270 nan 0.000 0.450 39 V N 3.557 123.293 119.914 -0.296 0.000 2.733 39 V HA 0.549 4.670 4.120 0.001 0.000 0.306 39 V C -0.525 175.546 176.094 -0.038 0.000 1.084 39 V CA -0.998 61.184 62.300 -0.195 0.000 0.905 39 V CB 2.507 34.165 31.823 -0.275 0.000 1.010 39 V HN 0.553 nan 8.190 nan 0.000 0.424 40 R N 2.330 122.838 120.500 0.014 0.000 2.686 40 R HA 0.665 5.005 4.340 0.001 0.000 0.286 40 R C -1.124 175.188 176.300 0.021 0.000 0.969 40 R CA -0.752 55.384 56.100 0.059 0.000 0.898 40 R CB 2.360 32.655 30.300 -0.008 0.000 1.183 40 R HN 0.487 nan 8.270 nan 0.000 0.456 41 V N 3.615 123.553 119.914 0.040 0.000 2.583 41 V HA 0.181 4.301 4.120 0.001 0.000 0.287 41 V C 0.173 176.226 176.094 -0.069 0.000 1.051 41 V CA -0.616 61.679 62.300 -0.007 0.000 1.010 41 V CB 1.166 32.989 31.823 0.001 0.000 0.988 41 V HN 0.455 nan 8.190 nan 0.000 0.478 42 L N 5.175 126.344 121.223 -0.090 0.000 2.282 42 L HA 0.761 5.101 4.340 0.001 0.000 0.288 42 L C 0.616 177.457 176.870 -0.049 0.000 1.033 42 L CA 0.692 55.465 54.840 -0.112 0.000 0.807 42 L CB 1.026 42.994 42.059 -0.151 0.000 1.209 42 L HN 0.671 nan 8.230 nan 0.000 0.423 43 G N 1.725 110.511 108.800 -0.024 0.000 3.329 43 G HA2 0.164 4.125 3.960 0.001 0.000 0.180 43 G HA3 0.164 4.125 3.960 0.001 0.000 0.180 43 G C 0.442 175.361 174.900 0.031 0.000 1.640 43 G CA 0.394 45.498 45.100 0.007 0.000 1.018 43 G HN 0.686 nan 8.290 nan 0.000 0.581 44 S N -0.716 115.023 115.700 0.066 0.000 2.605 44 S HA 0.364 4.834 4.470 0.001 0.000 0.217 44 S C 1.596 176.258 174.600 0.104 0.000 0.958 44 S CA 0.870 59.134 58.200 0.106 0.000 0.919 44 S CB 0.259 63.554 63.200 0.158 0.000 0.780 44 S HN 2.077 nan 8.310 nan 0.000 0.507 45 G N 1.813 110.655 108.800 0.070 0.000 2.179 45 G HA2 -0.279 3.681 3.960 0.001 0.000 0.257 45 G HA3 -0.279 3.681 3.960 0.001 0.000 0.257 45 G C 0.239 175.091 174.900 -0.080 0.000 1.010 45 G CA 0.447 45.575 45.100 0.048 0.000 0.736 45 G HN 0.666 nan 8.290 nan 0.000 0.513 46 H N 0.600 119.629 119.070 -0.069 0.000 2.610 46 H HA 0.267 4.824 4.556 0.001 0.000 0.302 46 H C 1.437 176.665 175.328 -0.166 0.000 1.063 46 H CA 0.864 56.793 56.048 -0.198 0.000 1.159 46 H CB 0.034 29.656 29.762 -0.234 0.000 1.427 46 H HN 0.650 nan 8.280 nan 0.000 0.553 47 S N -0.723 114.942 115.700 -0.059 0.000 2.687 47 S HA 0.309 4.779 4.470 0.001 0.000 0.283 47 S C 0.195 174.691 174.600 -0.174 0.000 1.170 47 S CA -0.725 57.501 58.200 0.043 0.000 1.008 47 S CB 0.938 64.199 63.200 0.102 0.000 1.026 47 S HN 0.127 nan 8.310 nan 0.000 0.541 48 F N 1.026 121.067 119.950 0.152 0.000 2.683 48 F HA 0.334 4.862 4.527 0.001 0.000 0.306 48 F C 0.559 176.418 175.800 0.098 0.000 1.102 48 F CA -0.699 57.386 58.000 0.142 0.000 1.244 48 F CB 0.051 39.160 39.000 0.181 0.000 1.029 48 F HN 0.711 nan 8.300 nan 0.000 0.545 49 N N -1.275 117.545 118.700 0.200 0.000 3.343 49 N HA 0.176 4.917 4.740 0.001 0.000 0.330 49 N C -0.032 175.519 175.510 0.067 0.000 1.560 49 N CA -0.816 52.312 53.050 0.130 0.000 0.752 49 N CB 0.265 38.848 38.487 0.159 0.000 1.863 49 N HN -0.037 nan 8.380 nan 0.000 0.636 50 E N -0.332 119.919 120.200 0.085 0.000 2.403 50 E HA 0.153 4.504 4.350 0.001 0.000 0.187 50 E C 0.858 177.444 176.600 -0.024 0.000 1.073 50 E CA -0.195 56.272 56.400 0.113 0.000 0.888 50 E CB -0.194 29.614 29.700 0.180 0.000 1.035 50 E HN 0.490 nan 8.360 nan 0.000 0.471 51 I N 0.927 121.258 120.570 -0.398 0.000 2.264 51 I HA -0.286 3.885 4.170 0.001 0.000 0.248 51 I C 1.975 177.968 176.117 -0.208 0.000 1.111 51 I CA 1.205 62.089 61.300 -0.692 0.000 1.382 51 I CB 0.145 37.627 38.000 -0.864 0.000 1.060 51 I HN 0.075 nan 8.210 nan 0.000 0.418 52 A N -0.289 122.489 122.820 -0.070 0.000 2.275 52 A HA 0.018 4.339 4.320 0.001 0.000 0.212 52 A C 0.871 178.328 177.584 -0.212 0.000 1.201 52 A CA -0.123 51.826 52.037 -0.147 0.000 0.843 52 A CB -0.347 18.507 19.000 -0.242 0.000 0.873 52 A HN 0.483 nan 8.150 nan 0.000 0.492 53 E N 1.175 121.400 120.200 0.041 0.000 2.366 53 E HA 0.180 4.530 4.350 0.001 0.000 0.266 53 E C -1.836 174.789 176.600 0.041 0.000 1.015 53 E CA -1.731 54.753 56.400 0.139 0.000 0.906 53 E CB 0.823 30.684 29.700 0.270 0.000 0.979 53 E HN 0.149 nan 8.360 nan 0.000 0.443 54 P HA 0.119 nan 4.420 nan 0.000 0.221 54 P C 0.013 177.330 177.300 0.029 0.000 1.155 54 P CA 0.975 64.075 63.100 -0.000 0.000 0.812 54 P CB 0.022 31.707 31.700 -0.026 0.000 0.801 55 G N 0.365 109.196 108.800 0.053 0.000 2.787 55 G HA2 -0.155 3.806 3.960 0.001 0.000 0.685 55 G HA3 -0.155 3.806 3.960 0.001 0.000 0.685 55 G C -0.956 173.962 174.900 0.030 0.000 1.437 55 G CA -0.701 44.428 45.100 0.049 0.000 0.872 55 G HN 0.139 nan 8.290 nan 0.000 0.566 56 D N 0.810 121.227 120.400 0.028 0.000 2.506 56 D HA 0.369 5.009 4.640 0.001 0.000 0.234 56 D C 1.567 177.870 176.300 0.006 0.000 1.143 56 D CA 2.326 56.336 54.000 0.017 0.000 0.871 56 D CB 0.736 41.546 40.800 0.016 0.000 1.190 56 D HN 1.881 nan 8.370 nan 0.000 0.459 57 G N 1.745 110.545 108.800 -0.001 0.000 2.454 57 G HA2 -0.225 3.735 3.960 0.001 0.000 0.225 57 G HA3 -0.225 3.735 3.960 0.001 0.000 0.225 57 G C 0.725 175.612 174.900 -0.021 0.000 1.138 57 G CA 0.168 45.262 45.100 -0.011 0.000 0.667 57 G HN 0.837 nan 8.290 nan 0.000 0.512 58 G N -0.143 108.645 108.800 -0.020 0.000 2.539 58 G HA2 0.585 4.545 3.960 0.001 0.000 0.258 58 G HA3 0.585 4.545 3.960 0.001 0.000 0.258 58 G C -0.051 174.828 174.900 -0.035 0.000 1.202 58 G CA 0.387 45.465 45.100 -0.036 0.000 0.851 58 G HN 0.993 nan 8.290 nan 0.000 0.556 59 V N 1.496 121.380 119.914 -0.051 0.000 2.567 59 V HA 0.300 4.421 4.120 0.001 0.000 0.289 59 V C -0.062 176.000 176.094 -0.053 0.000 1.049 59 V CA -0.645 61.627 62.300 -0.046 0.000 0.969 59 V CB 1.499 33.291 31.823 -0.051 0.000 0.995 59 V HN 0.569 nan 8.190 nan 0.000 0.471 60 L N 5.715 126.905 121.223 -0.056 0.000 2.272 60 L HA 0.605 4.945 4.340 0.001 0.000 0.289 60 L C -0.707 176.126 176.870 -0.061 0.000 1.032 60 L CA -0.115 54.675 54.840 -0.083 0.000 0.810 60 L CB 1.243 43.230 42.059 -0.119 0.000 1.205 60 L HN 0.627 nan 8.230 nan 0.000 0.422 61 L N 4.526 125.720 121.223 -0.048 0.000 2.313 61 L HA 0.699 5.039 4.340 0.001 0.000 0.283 61 L C -0.415 176.433 176.870 -0.037 0.000 1.013 61 L CA 0.319 55.141 54.840 -0.030 0.000 0.816 61 L CB 1.815 43.878 42.059 0.007 0.000 1.236 61 L HN 0.657 nan 8.230 nan 0.000 0.419 62 S N 4.223 119.896 115.700 -0.044 0.000 2.578 62 S HA 0.557 5.028 4.470 0.001 0.000 0.301 62 S C 0.536 175.112 174.600 -0.041 0.000 1.091 62 S CA -0.734 57.441 58.200 -0.041 0.000 1.032 62 S CB 1.081 64.258 63.200 -0.039 0.000 1.064 62 S HN 0.764 nan 8.310 nan 0.000 0.508 63 L N 3.280 124.485 121.223 -0.030 0.000 2.628 63 L HA 0.265 4.605 4.340 0.001 0.000 0.229 63 L C 2.267 179.125 176.870 -0.020 0.000 1.137 63 L CA 0.228 55.051 54.840 -0.028 0.000 0.909 63 L CB -0.523 41.523 42.059 -0.020 0.000 1.137 63 L HN 0.839 nan 8.230 nan 0.000 0.470 64 A N 0.601 123.410 122.820 -0.018 0.000 2.070 64 A HA -0.088 4.232 4.320 0.001 0.000 0.220 64 A C 2.216 179.812 177.584 0.019 0.000 1.159 64 A CA 1.627 53.665 52.037 0.002 0.000 0.656 64 A CB -0.593 18.411 19.000 0.007 0.000 0.800 64 A HN 0.437 nan 8.150 nan 0.000 0.453 65 G N -1.098 107.689 108.800 -0.021 0.000 2.777 65 G HA2 0.318 4.278 3.960 0.001 0.000 0.211 65 G HA3 0.318 4.278 3.960 0.001 0.000 0.211 65 G C 0.575 175.550 174.900 0.125 0.000 1.149 65 G CA -0.202 44.912 45.100 0.023 0.000 0.785 65 G HN 0.396 nan 8.290 nan 0.000 0.536 66 L N 0.896 122.144 121.223 0.042 0.000 2.418 66 L HA 0.308 4.649 4.340 0.001 0.000 0.265 66 L C -1.919 174.982 176.870 0.052 0.000 1.143 66 L CA -1.912 52.958 54.840 0.050 0.000 0.809 66 L CB 0.893 42.961 42.059 0.015 0.000 1.124 66 L HN -0.097 nan 8.230 nan 0.000 0.456 67 P HA 0.006 nan 4.420 nan 0.000 0.265 67 P C -0.800 176.512 177.300 0.019 0.000 1.193 67 P CA 0.089 63.208 63.100 0.031 0.000 0.765 67 P CB 0.473 32.187 31.700 0.024 0.000 0.823 68 S N 2.168 117.878 115.700 0.016 0.000 3.729 68 S HA 0.169 4.639 4.470 0.001 0.000 0.235 68 S C 0.233 174.835 174.600 0.003 0.000 1.367 68 S CA -0.533 57.672 58.200 0.008 0.000 0.907 68 S CB -0.516 62.690 63.200 0.010 0.000 1.471 68 S HN 0.162 nan 8.310 nan 0.000 0.476 69 V N 3.375 123.290 119.914 0.001 0.000 2.585 69 V HA 0.136 4.256 4.120 0.001 0.000 0.296 69 V C 0.231 176.322 176.094 -0.005 0.000 1.035 69 V CA 0.052 62.352 62.300 -0.001 0.000 1.084 69 V CB 0.804 32.627 31.823 -0.001 0.000 0.953 69 V HN 0.455 nan 8.190 nan 0.000 0.483 70 V N 3.955 123.869 119.914 -0.001 0.000 2.439 70 V HA 0.337 4.457 4.120 0.001 0.000 0.277 70 V C -0.685 175.411 176.094 0.004 0.000 1.008 70 V CA -0.549 61.751 62.300 0.000 0.000 0.846 70 V CB 1.575 33.401 31.823 0.005 0.000 1.031 70 V HN 0.904 nan 8.190 nan 0.000 0.441 71 D N 3.974 124.375 120.400 0.002 0.000 2.464 71 D HA 0.365 5.005 4.640 0.001 0.000 0.243 71 D C -0.411 175.890 176.300 0.003 0.000 1.104 71 D CA -0.171 53.830 54.000 0.002 0.000 0.883 71 D CB 1.768 42.568 40.800 -0.000 0.000 1.050 71 D HN 0.264 nan 8.370 nan 0.000 0.524 72 V N 3.762 123.679 119.914 0.005 0.000 2.455 72 V HA 0.154 4.274 4.120 0.001 0.000 0.273 72 V C 0.500 176.593 176.094 -0.001 0.000 1.045 72 V CA -0.519 61.783 62.300 0.004 0.000 0.976 72 V CB 1.275 33.102 31.823 0.007 0.000 0.993 72 V HN 0.454 nan 8.190 nan 0.000 0.475 73 D N 4.061 124.459 120.400 -0.004 0.000 2.479 73 D HA 0.121 4.761 4.640 0.001 0.000 0.218 73 D C 1.460 177.755 176.300 -0.009 0.000 1.131 73 D CA 0.060 54.056 54.000 -0.007 0.000 0.916 73 D CB 1.519 42.314 40.800 -0.008 0.000 1.022 73 D HN 0.715 nan 8.370 nan 0.000 0.515 74 T N 0.781 115.329 114.554 -0.010 0.000 2.833 74 T HA -0.129 4.221 4.350 0.001 0.000 0.269 74 T C 1.865 176.557 174.700 -0.014 0.000 1.054 74 T CA 1.004 63.096 62.100 -0.013 0.000 1.135 74 T CB -0.053 68.807 68.868 -0.013 0.000 0.869 74 T HN 0.248 nan 8.240 nan 0.000 0.466 75 A N 2.013 124.825 122.820 -0.012 0.000 1.877 75 A HA 0.367 4.687 4.320 0.001 0.000 0.216 75 A C 2.747 180.323 177.584 -0.013 0.000 1.186 75 A CA 1.788 53.818 52.037 -0.012 0.000 0.620 75 A CB -1.323 17.671 19.000 -0.011 0.000 0.822 75 A HN 0.785 nan 8.150 nan 0.000 0.443 76 A N -1.646 121.166 122.820 -0.013 0.000 2.169 76 A HA 0.224 4.544 4.320 0.001 0.000 0.212 76 A C 1.124 178.699 177.584 -0.016 0.000 1.153 76 A CA 0.623 52.651 52.037 -0.015 0.000 0.756 76 A CB -0.304 18.687 19.000 -0.014 0.000 0.813 76 A HN 0.509 nan 8.150 nan 0.000 0.471 77 R N -0.009 120.482 120.500 -0.017 0.000 3.264 77 R HA -0.139 4.201 4.340 0.001 0.000 0.251 77 R C -0.325 175.966 176.300 -0.016 0.000 0.971 77 R CA 0.846 56.934 56.100 -0.019 0.000 0.658 77 R CB -2.661 27.625 30.300 -0.024 0.000 1.095 77 R HN 0.733 nan 8.270 nan 0.000 0.443 78 T N -3.996 110.551 114.554 -0.011 0.000 2.906 78 T HA 0.717 5.067 4.350 0.001 0.000 0.295 78 T C -0.504 174.195 174.700 -0.001 0.000 1.075 78 T CA -0.762 61.335 62.100 -0.005 0.000 1.005 78 T CB 2.695 71.559 68.868 -0.007 0.000 1.136 78 T HN 0.081 nan 8.240 nan 0.000 0.498 79 V N 1.013 120.930 119.914 0.005 0.000 2.638 79 V HA 0.714 4.834 4.120 0.001 0.000 0.306 79 V C -0.699 175.398 176.094 0.004 0.000 1.052 79 V CA -1.053 61.252 62.300 0.007 0.000 0.885 79 V CB 1.825 33.657 31.823 0.015 0.000 0.999 79 V HN 1.092 nan 8.190 nan 0.000 0.424 80 R N 4.632 125.132 120.500 -0.000 0.000 2.255 80 R HA 0.764 5.105 4.340 0.001 0.000 0.326 80 R C -1.697 174.598 176.300 -0.009 0.000 0.986 80 R CA -0.267 55.831 56.100 -0.003 0.000 0.847 80 R CB 1.715 32.013 30.300 -0.003 0.000 1.111 80 R HN 0.616 nan 8.270 nan 0.000 0.452 81 V N 4.397 124.300 119.914 -0.017 0.000 2.656 81 V HA 0.634 4.754 4.120 0.001 0.000 0.307 81 V C 0.032 176.106 176.094 -0.033 0.000 1.051 81 V CA -0.421 61.860 62.300 -0.031 0.000 0.893 81 V CB 1.807 33.596 31.823 -0.057 0.000 0.999 81 V HN 0.964 nan 8.190 nan 0.000 0.426 82 G N 3.674 112.456 108.800 -0.030 0.000 2.544 82 G HA2 0.379 4.339 3.960 0.001 0.000 0.242 82 G HA3 0.379 4.339 3.960 0.001 0.000 0.242 82 G C 1.106 175.983 174.900 -0.039 0.000 1.247 82 G CA 0.161 45.245 45.100 -0.026 0.000 0.840 82 G HN 1.428 nan 8.290 nan 0.000 0.578 83 G N 0.399 109.179 108.800 -0.033 0.000 2.450 83 G HA2 -0.016 3.945 3.960 0.001 0.000 0.220 83 G HA3 -0.016 3.945 3.960 0.001 0.000 0.220 83 G C 1.475 176.352 174.900 -0.037 0.000 1.130 83 G CA 1.295 46.372 45.100 -0.038 0.000 0.760 83 G HN 0.987 nan 8.290 nan 0.000 0.557 84 G N -0.541 108.242 108.800 -0.029 0.000 3.088 84 G HA2 0.312 4.272 3.960 0.001 0.000 0.217 84 G HA3 0.312 4.272 3.960 0.001 0.000 0.217 84 G C 0.414 175.300 174.900 -0.024 0.000 1.159 84 G CA -0.063 45.025 45.100 -0.020 0.000 0.760 84 G HN 0.268 nan 8.290 nan 0.000 0.550 85 V N 1.448 121.337 119.914 -0.042 0.000 2.673 85 V HA 0.150 4.271 4.120 0.001 0.000 0.303 85 V C 0.622 176.667 176.094 -0.082 0.000 1.046 85 V CA 0.041 62.311 62.300 -0.050 0.000 1.126 85 V CB 0.642 32.426 31.823 -0.064 0.000 0.934 85 V HN 0.298 nan 8.190 nan 0.000 0.487 86 R N 2.728 123.204 120.500 -0.039 0.000 2.573 86 R HA 0.319 4.660 4.340 0.001 0.000 0.272 86 R C 0.483 176.760 176.300 -0.038 0.000 1.009 86 R CA -0.585 55.504 56.100 -0.019 0.000 1.059 86 R CB 0.788 31.132 30.300 0.074 0.000 1.112 86 R HN 0.652 nan 8.270 nan 0.000 0.517 87 Y N 0.903 121.209 120.300 0.010 0.000 2.207 87 Y HA -0.294 4.256 4.550 0.001 0.000 0.287 87 Y C 2.375 178.275 175.900 0.000 0.000 1.156 87 Y CA 1.979 60.084 58.100 0.008 0.000 1.182 87 Y CB -0.172 38.279 38.460 -0.015 0.000 0.979 87 Y HN 0.804 nan 8.280 nan 0.000 0.521 88 A N -0.046 122.847 122.820 0.121 0.000 1.883 88 A HA -0.282 4.038 4.320 0.001 0.000 0.217 88 A C 2.154 179.789 177.584 0.086 0.000 1.186 88 A CA 2.027 54.104 52.037 0.067 0.000 0.624 88 A CB -0.735 18.317 19.000 0.088 0.000 0.822 88 A HN 0.550 nan 8.150 nan 0.000 0.444 89 E N -0.682 119.569 120.200 0.085 0.000 2.047 89 E HA -0.186 4.164 4.350 0.001 0.000 0.191 89 E C 1.951 178.579 176.600 0.046 0.000 0.987 89 E CA 1.238 57.674 56.400 0.060 0.000 0.799 89 E CB -0.228 29.500 29.700 0.047 0.000 0.752 89 E HN 0.400 nan 8.360 nan 0.000 0.449 90 L N 1.174 122.419 121.223 0.036 0.000 2.013 90 L HA -0.202 4.138 4.340 0.001 0.000 0.212 90 L C 2.258 179.193 176.870 0.108 0.000 1.073 90 L CA 2.499 57.366 54.840 0.045 0.000 0.753 90 L CB -0.909 41.145 42.059 -0.009 0.000 0.890 90 L HN 0.207 nan 8.230 nan 0.000 0.432 91 A N -0.853 122.042 122.820 0.124 0.000 1.898 91 A HA -0.207 4.113 4.320 0.001 0.000 0.216 91 A C 2.503 180.011 177.584 -0.127 0.000 1.181 91 A CA 1.607 53.698 52.037 0.089 0.000 0.620 91 A CB -0.586 18.366 19.000 -0.080 0.000 0.819 91 A HN 0.483 nan 8.150 nan 0.000 0.442 92 R N -0.582 119.868 120.500 -0.083 0.000 2.083 92 R HA -0.122 4.218 4.340 0.001 0.000 0.237 92 R C 2.028 178.336 176.300 0.014 0.000 1.137 92 R CA 1.797 57.864 56.100 -0.055 0.000 0.951 92 R CB -0.407 29.915 30.300 0.037 0.000 0.851 92 R HN 0.371 nan 8.270 nan 0.000 0.434 93 V N 0.482 120.420 119.914 0.039 0.000 2.307 93 V HA -0.230 3.890 4.120 0.001 0.000 0.245 93 V C 2.372 178.505 176.094 0.065 0.000 1.045 93 V CA 1.822 64.150 62.300 0.047 0.000 1.024 93 V CB -0.424 31.422 31.823 0.039 0.000 0.651 93 V HN 0.384 nan 8.190 nan 0.000 0.449 94 V N -0.919 119.059 119.914 0.107 0.000 2.343 94 V HA -0.308 3.812 4.120 0.001 0.000 0.247 94 V C 2.389 178.583 176.094 0.167 0.000 1.051 94 V CA 2.603 64.980 62.300 0.127 0.000 1.036 94 V CB -1.285 30.631 31.823 0.156 0.000 0.654 94 V HN 0.634 nan 8.190 nan 0.000 0.451 95 H N 1.699 120.855 119.070 0.142 0.000 2.352 95 H HA -0.005 4.551 4.556 0.000 0.000 0.299 95 H C 2.197 177.567 175.328 0.071 0.000 1.097 95 H CA 2.183 58.315 56.048 0.141 0.000 1.311 95 H CB -0.490 29.173 29.762 -0.165 0.000 1.377 95 H HN 0.521 nan 8.280 nan 0.000 0.504 96 A N 0.493 123.310 122.820 -0.006 0.000 2.070 96 A HA -0.111 4.210 4.320 0.001 0.000 0.220 96 A C 1.885 179.431 177.584 -0.064 0.000 1.159 96 A CA 1.252 53.261 52.037 -0.047 0.000 0.656 96 A CB -0.153 18.855 19.000 0.014 0.000 0.800 96 A HN 0.323 nan 8.150 nan 0.000 0.453 97 R N -1.120 119.355 120.500 -0.042 0.000 2.359 97 R HA 0.190 4.531 4.340 0.001 0.000 0.231 97 R C 1.134 177.401 176.300 -0.055 0.000 0.913 97 R CA 0.542 56.621 56.100 -0.036 0.000 1.075 97 R CB -0.799 29.494 30.300 -0.012 0.000 1.087 97 R HN 0.799 nan 8.270 nan 0.000 0.515 98 G N 1.243 109.982 108.800 -0.102 0.000 2.147 98 G HA2 -0.263 3.697 3.960 0.001 0.000 0.244 98 G HA3 -0.263 3.697 3.960 0.001 0.000 0.244 98 G C -0.026 174.839 174.900 -0.057 0.000 1.005 98 G CA 0.274 45.313 45.100 -0.101 0.000 0.713 98 G HN 0.243 nan 8.290 nan 0.000 0.515 99 L N -1.114 120.084 121.223 -0.042 0.000 2.235 99 L HA 1.004 5.344 4.340 0.001 0.000 0.260 99 L C 0.415 177.163 176.870 -0.203 0.000 1.025 99 L CA -0.736 54.053 54.840 -0.084 0.000 0.836 99 L CB 2.099 44.121 42.059 -0.063 0.000 1.395 99 L HN 0.642 nan 8.230 nan 0.000 0.443 100 A N 0.249 122.807 122.820 -0.436 0.000 2.608 100 A HA 0.705 5.025 4.320 0.001 0.000 0.292 100 A C -1.614 175.520 177.584 -0.751 0.000 1.066 100 A CA -0.532 50.771 52.037 -1.224 0.000 0.676 100 A CB 1.123 19.014 19.000 -1.848 0.000 1.277 100 A HN 0.494 nan 8.150 nan 0.000 0.413 101 L N 1.548 122.241 121.223 -0.882 0.000 2.379 101 L HA 0.447 4.787 4.340 0.001 0.000 0.269 101 L C -1.155 175.716 176.870 0.001 0.000 1.084 101 L CA -1.790 52.948 54.840 -0.170 0.000 0.802 101 L CB 1.368 43.517 42.059 0.150 0.000 1.175 101 L HN 0.635 nan 8.230 nan 0.000 0.448 102 P HA -0.028 nan 4.420 nan 0.000 0.236 102 P C -0.330 177.183 177.300 0.355 0.000 1.177 102 P CA 0.822 64.068 63.100 0.243 0.000 0.773 102 P CB 0.407 32.201 31.700 0.156 0.000 0.878 103 N N -1.682 117.172 118.700 0.258 0.000 3.046 103 N HA 0.474 5.214 4.740 0.001 0.000 0.243 103 N C -1.525 174.046 175.510 0.102 0.000 1.452 103 N CA -0.619 52.555 53.050 0.207 0.000 0.882 103 N CB 1.409 39.957 38.487 0.100 0.000 1.425 103 N HN -0.286 nan 8.380 nan 0.000 0.517 104 M N 1.247 120.845 119.600 -0.002 0.000 2.569 104 M HA 0.517 4.997 4.480 0.001 0.000 0.279 104 M C -0.655 175.491 176.300 -0.257 0.000 1.253 104 M CA -0.603 54.580 55.300 -0.195 0.000 0.867 104 M CB 1.980 34.516 32.600 -0.107 0.000 1.727 104 M HN 0.625 nan 8.290 nan 0.000 0.467 105 A N 0.549 123.144 122.820 -0.374 0.000 2.292 105 A HA 0.375 4.695 4.320 0.001 0.000 0.265 105 A C 1.154 178.524 177.584 -0.357 0.000 1.133 105 A CA 0.390 52.219 52.037 -0.347 0.000 0.807 105 A CB -0.070 18.733 19.000 -0.328 0.000 1.102 105 A HN 1.014 nan 8.150 nan 0.000 0.502 106 S N -1.176 114.296 115.700 -0.379 0.000 2.423 106 S HA 0.024 4.494 4.470 0.001 0.000 0.231 106 S C 0.375 174.903 174.600 -0.121 0.000 1.014 106 S CA 1.250 59.177 58.200 -0.454 0.000 0.965 106 S CB -0.486 62.532 63.200 -0.302 0.000 0.785 106 S HN 0.881 nan 8.310 nan 0.000 0.495 107 L N 2.079 123.244 121.223 -0.096 0.000 2.409 107 L HA 0.522 4.863 4.340 0.001 0.000 0.272 107 L C -2.304 174.436 176.870 -0.217 0.000 0.980 107 L CA -1.780 53.033 54.840 -0.044 0.000 0.826 107 L CB 2.125 44.144 42.059 -0.067 0.000 1.268 107 L HN -0.200 nan 8.230 nan 0.000 0.407 108 P HA -0.015 nan 4.420 nan 0.000 0.240 108 P C 0.024 177.187 177.300 -0.228 0.000 1.190 108 P CA 0.657 63.589 63.100 -0.279 0.000 0.781 108 P CB 0.090 31.605 31.700 -0.309 0.000 0.931 109 H N 0.757 119.798 119.070 -0.049 0.000 2.794 109 H HA 0.357 4.914 4.556 0.001 0.000 0.256 109 H C 0.489 175.759 175.328 -0.095 0.000 1.637 109 H CA -0.016 56.006 56.048 -0.042 0.000 1.222 109 H CB -0.766 28.977 29.762 -0.032 0.000 1.545 109 H HN 0.242 nan 8.280 nan 0.000 0.518 110 I N 0.384 120.965 120.570 0.018 0.000 2.647 110 I HA 0.092 4.262 4.170 0.001 0.000 0.295 110 I C 0.498 176.676 176.117 0.102 0.000 1.078 110 I CA -1.005 60.297 61.300 0.003 0.000 1.048 110 I CB 2.221 40.135 38.000 -0.144 0.000 1.239 110 I HN 0.081 nan 8.210 nan 0.000 0.421 111 S N 3.632 119.374 115.700 0.070 0.000 2.552 111 S HA 0.092 4.563 4.470 0.001 0.000 0.289 111 S C 1.087 175.687 174.600 0.001 0.000 1.304 111 S CA -0.494 57.719 58.200 0.021 0.000 1.063 111 S CB 1.002 64.217 63.200 0.025 0.000 0.848 111 S HN 0.408 nan 8.310 nan 0.000 0.499 112 V N 5.286 125.097 119.914 -0.172 0.000 2.295 112 V HA -0.159 3.961 4.120 0.001 0.000 0.246 112 V C 2.913 178.981 176.094 -0.044 0.000 1.049 112 V CA 2.346 64.485 62.300 -0.269 0.000 1.024 112 V CB -1.759 29.789 31.823 -0.459 0.000 0.648 112 V HN 1.025 nan 8.190 nan 0.000 0.447 113 A N 0.547 123.340 122.820 -0.045 0.000 1.902 113 A HA -0.097 4.223 4.320 0.001 0.000 0.217 113 A C 2.400 179.992 177.584 0.013 0.000 1.181 113 A CA 2.014 54.040 52.037 -0.018 0.000 0.623 113 A CB -1.212 17.769 19.000 -0.032 0.000 0.818 113 A HN 0.545 nan 8.150 nan 0.000 0.443 114 G N -1.046 107.770 108.800 0.028 0.000 2.421 114 G HA2 -0.056 3.904 3.960 0.001 0.000 0.217 114 G HA3 -0.056 3.904 3.960 0.001 0.000 0.217 114 G C 1.776 176.733 174.900 0.095 0.000 1.143 114 G CA 1.195 46.325 45.100 0.051 0.000 0.784 114 G HN 0.476 nan 8.290 nan 0.000 0.541 115 S N 0.242 116.020 115.700 0.131 0.000 2.348 115 S HA -0.168 4.302 4.470 0.001 0.000 0.221 115 S C 2.671 177.363 174.600 0.152 0.000 1.033 115 S CA 1.779 60.087 58.200 0.179 0.000 1.010 115 S CB -0.505 62.881 63.200 0.310 0.000 0.891 115 S HN 0.520 nan 8.310 nan 0.000 0.442 116 V N 0.425 120.415 119.914 0.128 0.000 2.809 116 V HA 0.112 4.232 4.120 0.001 0.000 0.256 116 V C 2.193 178.308 176.094 0.035 0.000 1.080 116 V CA 1.231 63.581 62.300 0.083 0.000 1.102 116 V CB -1.407 30.454 31.823 0.064 0.000 0.705 116 V HN 0.395 nan 8.190 nan 0.000 0.475 117 A N 1.706 124.542 122.820 0.027 0.000 2.024 117 A HA -0.145 4.176 4.320 0.001 0.000 0.220 117 A C 2.343 179.917 177.584 -0.015 0.000 1.164 117 A CA 2.584 54.611 52.037 -0.018 0.000 0.643 117 A CB -0.896 18.096 19.000 -0.012 0.000 0.806 117 A HN 0.869 nan 8.150 nan 0.000 0.451 118 T N -6.192 108.412 114.554 0.084 0.000 3.003 118 T HA 0.458 4.808 4.350 0.001 0.000 0.261 118 T C 1.107 175.898 174.700 0.152 0.000 1.003 118 T CA 1.006 63.221 62.100 0.190 0.000 0.917 118 T CB 0.524 69.596 68.868 0.339 0.000 1.084 118 T HN 1.718 nan 8.240 nan 0.000 0.522 119 G N 1.512 110.360 108.800 0.080 0.000 2.141 119 G HA2 -0.190 3.770 3.960 0.001 0.000 0.195 119 G HA3 -0.190 3.770 3.960 0.001 0.000 0.195 119 G C 0.019 174.945 174.900 0.044 0.000 1.012 119 G CA -0.246 44.877 45.100 0.038 0.000 0.696 119 G HN 0.655 nan 8.290 nan 0.000 0.508 120 T N 0.987 115.613 114.554 0.121 0.000 2.946 120 T HA 0.482 4.833 4.350 0.001 0.000 0.311 120 T C 0.319 175.089 174.700 0.116 0.000 1.063 120 T CA 1.329 63.530 62.100 0.169 0.000 1.139 120 T CB 0.465 69.410 68.868 0.129 0.000 0.994 120 T HN 1.108 nan 8.240 nan 0.000 0.547 121 H N -0.941 118.160 119.070 0.052 0.000 3.008 121 H HA 0.715 5.272 4.556 0.001 0.000 0.354 121 H C 0.165 175.464 175.328 -0.047 0.000 1.252 121 H CA -1.026 55.020 56.048 -0.003 0.000 1.117 121 H CB 0.823 30.590 29.762 0.008 0.000 1.857 121 H HN 0.656 nan 8.280 nan 0.000 0.547 122 G N -0.265 108.524 108.800 -0.018 0.000 3.134 122 G HA2 0.481 4.442 3.960 0.001 0.000 0.158 122 G HA3 0.481 4.442 3.960 0.001 0.000 0.158 122 G C -0.714 174.245 174.900 0.098 0.000 1.334 122 G CA -0.260 44.810 45.100 -0.050 0.000 1.001 122 G HN 0.680 nan 8.290 nan 0.000 0.600 123 S N -2.365 113.338 115.700 0.005 0.000 2.709 123 S HA 0.751 5.221 4.470 0.001 0.000 0.302 123 S C -0.387 174.143 174.600 -0.117 0.000 1.127 123 S CA 0.404 58.587 58.200 -0.029 0.000 0.905 123 S CB 1.456 64.625 63.200 -0.051 0.000 1.151 123 S HN 2.161 nan 8.310 nan 0.000 0.510 124 G N 0.121 108.831 108.800 -0.152 0.000 3.101 124 G HA2 -0.023 3.937 3.960 0.001 0.000 0.672 124 G HA3 -0.023 3.937 3.960 0.001 0.000 0.672 124 G C 0.257 175.040 174.900 -0.195 0.000 1.331 124 G CA -0.178 44.781 45.100 -0.236 0.000 0.925 124 G HN 1.543 nan 8.290 nan 0.000 0.596 125 V N 0.405 120.216 119.914 -0.172 0.000 2.759 125 V HA 0.298 4.418 4.120 0.001 0.000 0.256 125 V C 2.057 178.084 176.094 -0.112 0.000 1.080 125 V CA 2.692 64.916 62.300 -0.127 0.000 1.101 125 V CB -0.253 31.503 31.823 -0.112 0.000 0.698 125 V HN 1.872 nan 8.190 nan 0.000 0.477 126 G N 0.179 108.898 108.800 -0.135 0.000 3.126 126 G HA2 0.163 4.124 3.960 0.001 0.000 0.224 126 G HA3 0.163 4.124 3.960 0.001 0.000 0.224 126 G C 0.193 175.024 174.900 -0.115 0.000 1.142 126 G CA -0.364 44.673 45.100 -0.105 0.000 0.759 126 G HN 0.498 nan 8.290 nan 0.000 0.550 127 N N 1.258 119.862 118.700 -0.159 0.000 2.422 127 N HA 0.410 5.150 4.740 0.001 0.000 0.266 127 N C 0.635 176.107 175.510 -0.064 0.000 1.007 127 N CA -0.170 52.798 53.050 -0.137 0.000 0.941 127 N CB 1.799 40.147 38.487 -0.233 0.000 1.115 127 N HN 0.101 nan 8.380 nan 0.000 0.492 128 G N 0.345 109.131 108.800 -0.023 0.000 2.616 128 G HA2 0.232 4.192 3.960 0.001 0.000 0.268 128 G HA3 0.232 4.192 3.960 0.001 0.000 0.268 128 G C 0.386 175.305 174.900 0.033 0.000 1.213 128 G CA -0.443 44.660 45.100 0.006 0.000 0.926 128 G HN 0.549 nan 8.290 nan 0.000 0.523 129 S N -0.718 115.014 115.700 0.053 0.000 2.587 129 S HA 0.048 4.518 4.470 0.001 0.000 0.260 129 S C 1.629 176.278 174.600 0.082 0.000 1.353 129 S CA -0.464 57.790 58.200 0.090 0.000 0.995 129 S CB 0.499 63.756 63.200 0.095 0.000 0.912 129 S HN 0.420 nan 8.310 nan 0.000 0.568 130 L N 0.702 121.975 121.223 0.084 0.000 2.131 130 L HA -0.096 4.245 4.340 0.001 0.000 0.210 130 L C 2.994 179.937 176.870 0.121 0.000 1.092 130 L CA 1.471 56.367 54.840 0.092 0.000 0.759 130 L CB -1.239 40.865 42.059 0.075 0.000 0.903 130 L HN 0.938 nan 8.230 nan 0.000 0.435 131 A N 0.330 123.207 122.820 0.095 0.000 2.019 131 A HA -0.188 4.132 4.320 0.001 0.000 0.219 131 A C 2.483 180.110 177.584 0.072 0.000 1.164 131 A CA 1.672 53.749 52.037 0.067 0.000 0.644 131 A CB -0.514 18.499 19.000 0.021 0.000 0.805 131 A HN 0.541 nan 8.150 nan 0.000 0.449 132 S N 0.035 115.782 115.700 0.079 0.000 2.474 132 S HA -0.089 4.381 4.470 0.001 0.000 0.235 132 S C 1.521 176.181 174.600 0.100 0.000 0.997 132 S CA 1.272 59.523 58.200 0.084 0.000 0.949 132 S CB -0.932 62.309 63.200 0.067 0.000 0.766 132 S HN 1.067 nan 8.310 nan 0.000 0.517 133 V N -1.173 118.804 119.914 0.103 0.000 3.608 133 V HA 0.398 4.518 4.120 0.001 0.000 0.269 133 V C 0.703 176.864 176.094 0.112 0.000 1.245 133 V CA -0.390 61.969 62.300 0.098 0.000 1.138 133 V CB -0.698 31.183 31.823 0.097 0.000 0.841 133 V HN 0.304 nan 8.190 nan 0.000 0.451 134 V N 3.237 123.236 119.914 0.142 0.000 2.508 134 V HA 0.261 4.381 4.120 0.001 0.000 0.281 134 V C 1.670 177.924 176.094 0.266 0.000 1.041 134 V CA 0.540 62.945 62.300 0.175 0.000 1.016 134 V CB 0.794 32.713 31.823 0.159 0.000 0.984 134 V HN 0.771 nan 8.190 nan 0.000 0.478 135 R N 3.051 123.642 120.500 0.153 0.000 2.307 135 R HA 0.398 4.738 4.340 0.001 0.000 0.200 135 R C 0.438 176.675 176.300 -0.106 0.000 0.893 135 R CA -0.086 56.016 56.100 0.003 0.000 1.042 135 R CB 0.968 31.240 30.300 -0.046 0.000 1.059 135 R HN 0.675 nan 8.270 nan 0.000 0.530 136 E N 1.012 121.265 120.200 0.088 0.000 2.363 136 E HA 0.285 4.635 4.350 0.001 0.000 0.281 136 E C -1.661 175.040 176.600 0.168 0.000 0.953 136 E CA -0.982 55.475 56.400 0.096 0.000 0.778 136 E CB 2.642 32.341 29.700 -0.001 0.000 1.220 136 E HN 0.110 nan 8.360 nan 0.000 0.431 137 V N 0.438 120.466 119.914 0.191 0.000 2.680 137 V HA 0.666 4.786 4.120 0.001 0.000 0.309 137 V C -0.602 175.519 176.094 0.044 0.000 1.052 137 V CA -0.752 61.601 62.300 0.087 0.000 0.908 137 V CB 1.708 33.558 31.823 0.046 0.000 1.001 137 V HN 0.782 nan 8.190 nan 0.000 0.431 138 E N 3.355 123.561 120.200 0.011 0.000 2.145 138 E HA 0.646 4.996 4.350 0.001 0.000 0.270 138 E C -1.587 174.997 176.600 -0.027 0.000 0.906 138 E CA -0.704 55.694 56.400 -0.004 0.000 0.761 138 E CB 1.727 31.424 29.700 -0.005 0.000 1.116 138 E HN 0.839 nan 8.360 nan 0.000 0.408 139 L N 4.426 125.626 121.223 -0.038 0.000 2.322 139 L HA 0.421 4.761 4.340 0.001 0.000 0.281 139 L C -0.694 176.139 176.870 -0.062 0.000 1.014 139 L CA -1.135 53.661 54.840 -0.074 0.000 0.815 139 L CB 1.985 43.985 42.059 -0.097 0.000 1.247 139 L HN 0.381 nan 8.230 nan 0.000 0.421 140 V N 2.246 122.118 119.914 -0.069 0.000 2.408 140 V HA 0.209 4.330 4.120 0.001 0.000 0.267 140 V C 0.731 176.799 176.094 -0.043 0.000 1.047 140 V CA -0.418 61.865 62.300 -0.029 0.000 0.937 140 V CB 1.098 32.924 31.823 0.006 0.000 0.999 140 V HN 0.901 nan 8.190 nan 0.000 0.472 141 T N 2.716 117.272 114.554 0.003 0.000 2.810 141 T HA 0.509 4.860 4.350 0.001 0.000 0.277 141 T C 1.514 176.346 174.700 0.219 0.000 0.973 141 T CA 0.027 62.157 62.100 0.050 0.000 0.949 141 T CB 1.403 70.288 68.868 0.028 0.000 1.075 141 T HN 0.645 nan 8.240 nan 0.000 0.537 142 A N 0.943 123.959 122.820 0.326 0.000 1.986 142 A HA -0.111 4.210 4.320 0.001 0.000 0.220 142 A C 1.840 179.492 177.584 0.114 0.000 1.171 142 A CA 1.931 54.137 52.037 0.281 0.000 0.640 142 A CB -1.109 18.000 19.000 0.183 0.000 0.811 142 A HN 0.976 nan 8.150 nan 0.000 0.451 143 D N -2.495 117.956 120.400 0.085 0.000 2.328 143 D HA 0.288 4.929 4.640 0.001 0.000 0.221 143 D C 1.132 177.458 176.300 0.044 0.000 1.072 143 D CA 0.891 54.919 54.000 0.047 0.000 0.850 143 D CB -0.536 40.284 40.800 0.033 0.000 0.922 143 D HN 0.798 nan 8.370 nan 0.000 0.516 144 G N 0.242 109.080 108.800 0.063 0.000 2.176 144 G HA2 -0.286 3.674 3.960 0.001 0.000 0.253 144 G HA3 -0.286 3.674 3.960 0.001 0.000 0.253 144 G C 0.395 175.316 174.900 0.035 0.000 0.979 144 G CA 0.433 45.563 45.100 0.050 0.000 0.641 144 G HN 0.826 nan 8.290 nan 0.000 0.530 145 S N -0.189 115.530 115.700 0.032 0.000 2.601 145 S HA 0.675 5.145 4.470 0.001 0.000 0.271 145 S C 0.183 174.791 174.600 0.014 0.000 1.305 145 S CA 0.436 58.648 58.200 0.020 0.000 1.022 145 S CB 1.890 65.100 63.200 0.017 0.000 0.940 145 S HN 0.495 nan 8.310 nan 0.000 0.525 146 T N 1.888 116.446 114.554 0.007 0.000 2.845 146 T HA 0.545 4.896 4.350 0.001 0.000 0.288 146 T C -0.605 174.093 174.700 -0.002 0.000 0.980 146 T CA -0.497 61.603 62.100 -0.001 0.000 1.071 146 T CB 0.930 69.798 68.868 -0.001 0.000 0.941 146 T HN 0.561 nan 8.240 nan 0.000 0.487 147 V N 3.819 123.728 119.914 -0.009 0.000 2.531 147 V HA 0.452 4.573 4.120 0.001 0.000 0.301 147 V C -0.396 175.696 176.094 -0.003 0.000 1.034 147 V CA -0.780 61.517 62.300 -0.006 0.000 0.865 147 V CB 2.076 33.894 31.823 -0.010 0.000 0.995 147 V HN 0.677 nan 8.190 nan 0.000 0.424 148 V N 6.383 126.300 119.914 0.005 0.000 2.398 148 V HA 0.561 4.682 4.120 0.001 0.000 0.286 148 V C -0.283 175.826 176.094 0.026 0.000 1.026 148 V CA -0.352 61.955 62.300 0.012 0.000 0.868 148 V CB 1.638 33.463 31.823 0.003 0.000 0.982 148 V HN 0.679 nan 8.190 nan 0.000 0.443 149 I N 4.127 124.734 120.570 0.062 0.000 2.466 149 I HA 0.825 4.996 4.170 0.001 0.000 0.289 149 I C 0.076 176.277 176.117 0.140 0.000 1.026 149 I CA -0.526 60.842 61.300 0.114 0.000 1.078 149 I CB 1.928 40.026 38.000 0.163 0.000 1.249 149 I HN 0.670 nan 8.210 nan 0.000 0.429 150 A N 5.634 128.412 122.820 -0.069 0.000 2.430 150 A HA 0.672 4.993 4.320 0.001 0.000 0.300 150 A C -0.328 176.697 177.584 -0.932 0.000 1.124 150 A CA -0.824 50.955 52.037 -0.431 0.000 0.766 150 A CB 1.452 20.303 19.000 -0.248 0.000 1.328 150 A HN 0.775 nan 8.150 nan 0.000 0.424 151 R N -0.313 119.391 120.500 -1.327 0.000 2.537 151 R HA 0.312 4.652 4.340 0.001 0.000 0.281 151 R C 1.316 177.371 176.300 -0.408 0.000 0.988 151 R CA 2.111 57.594 56.100 -1.028 0.000 1.077 151 R CB -0.038 29.906 30.300 -0.594 0.000 0.932 151 R HN 1.783 nan 8.270 nan 0.000 0.409 152 G N 2.763 111.443 108.800 -0.200 0.000 2.313 152 G HA2 -0.261 3.700 3.960 0.001 0.000 0.215 152 G HA3 -0.261 3.700 3.960 0.001 0.000 0.215 152 G C -0.055 174.836 174.900 -0.014 0.000 1.023 152 G CA 0.089 45.145 45.100 -0.073 0.000 0.626 152 G HN 0.696 nan 8.290 nan 0.000 0.503 153 D N 1.319 121.704 120.400 -0.026 0.000 2.443 153 D HA 0.201 4.841 4.640 0.001 0.000 0.239 153 D C 1.506 177.876 176.300 0.117 0.000 1.136 153 D CA 0.308 54.335 54.000 0.046 0.000 0.879 153 D CB 0.636 41.467 40.800 0.052 0.000 1.195 153 D HN 0.528 nan 8.370 nan 0.000 0.443 154 E N 2.285 122.556 120.200 0.119 0.000 2.171 154 E HA -0.210 4.141 4.350 0.001 0.000 0.197 154 E C 1.652 178.390 176.600 0.230 0.000 0.997 154 E CA 1.013 57.517 56.400 0.173 0.000 0.810 154 E CB 0.203 29.991 29.700 0.147 0.000 0.738 154 E HN 0.416 nan 8.360 nan 0.000 0.467 155 R N -0.633 119.965 120.500 0.163 0.000 2.275 155 R HA 0.004 4.344 4.340 0.001 0.000 0.199 155 R C 1.773 178.030 176.300 -0.073 0.000 0.989 155 R CA 0.124 56.286 56.100 0.103 0.000 1.016 155 R CB -0.062 30.281 30.300 0.071 0.000 0.918 155 R HN 0.127 nan 8.270 nan 0.000 0.473 156 F N 1.155 121.018 119.950 -0.145 0.000 2.216 156 F HA -0.038 4.490 4.527 0.000 0.000 0.300 156 F C 2.147 177.724 175.800 -0.372 0.000 1.085 156 F CA 1.477 59.361 58.000 -0.193 0.000 1.326 156 F CB -0.442 38.500 39.000 -0.097 0.000 1.027 156 F HN 0.011 nan 8.300 nan 0.000 0.497 157 G N -0.748 107.722 108.800 -0.551 0.000 2.479 157 G HA2 -0.162 3.799 3.960 0.001 0.000 0.220 157 G HA3 -0.162 3.799 3.960 0.001 0.000 0.220 157 G C 1.729 175.592 174.900 -1.729 0.000 1.115 157 G CA 0.688 45.136 45.100 -1.085 0.000 0.757 157 G HN 0.582 nan 8.290 nan 0.000 0.560 158 G N -0.554 107.253 108.800 -1.655 0.000 3.126 158 G HA2 0.394 4.354 3.960 0.001 0.000 0.224 158 G HA3 0.394 4.354 3.960 0.001 0.000 0.224 158 G C 1.334 176.059 174.900 -0.291 0.000 1.142 158 G CA 0.996 45.634 45.100 -0.770 0.000 0.759 158 G HN 0.491 nan 8.290 nan 0.000 0.550 159 A N -0.269 122.271 122.820 -0.466 0.000 2.169 159 A HA 0.510 4.830 4.320 0.001 0.000 0.210 159 A C 2.001 179.401 177.584 -0.307 0.000 1.168 159 A CA 0.830 52.678 52.037 -0.316 0.000 0.813 159 A CB 0.242 19.071 19.000 -0.285 0.000 0.861 159 A HN 0.163 nan 8.150 nan 0.000 0.481 160 V N -1.131 118.536 119.914 -0.413 0.000 2.599 160 V HA 0.025 4.146 4.120 0.001 0.000 0.237 160 V C 1.007 176.988 176.094 -0.187 0.000 1.081 160 V CA 1.445 63.563 62.300 -0.303 0.000 1.107 160 V CB -0.378 31.225 31.823 -0.366 0.000 0.808 160 V HN 0.327 nan 8.190 nan 0.000 0.486 161 T N 1.505 115.937 114.554 -0.202 0.000 3.364 161 T HA 0.234 4.585 4.350 0.001 0.000 0.323 161 T C 0.677 175.220 174.700 -0.262 0.000 1.323 161 T CA 0.178 62.179 62.100 -0.164 0.000 1.073 161 T CB 0.312 69.122 68.868 -0.097 0.000 1.150 161 T HN 0.313 nan 8.240 nan 0.000 0.727 162 S N 2.068 117.645 115.700 -0.205 0.000 2.629 162 S HA 0.233 4.703 4.470 0.001 0.000 0.236 162 S C 1.064 175.563 174.600 -0.167 0.000 1.010 162 S CA -0.510 57.597 58.200 -0.155 0.000 0.981 162 S CB -0.197 63.065 63.200 0.102 0.000 0.919 162 S HN 0.746 nan 8.310 nan 0.000 0.514 163 L N 0.763 121.842 121.223 -0.240 0.000 4.179 163 L HA -0.278 4.062 4.340 0.001 0.000 0.418 163 L C 1.166 178.007 176.870 -0.049 0.000 1.168 163 L CA 0.199 54.932 54.840 -0.178 0.000 0.972 163 L CB -2.454 39.441 42.059 -0.273 0.000 2.005 163 L HN 0.557 nan 8.230 nan 0.000 0.935 164 G N -0.882 107.893 108.800 -0.043 0.000 2.203 164 G HA2 -0.212 3.748 3.960 0.001 0.000 0.263 164 G HA3 -0.212 3.748 3.960 0.001 0.000 0.263 164 G C 0.757 175.656 174.900 -0.002 0.000 1.012 164 G CA 0.609 45.687 45.100 -0.036 0.000 0.749 164 G HN 1.127 nan 8.290 nan 0.000 0.512 165 A N -0.951 121.909 122.820 0.067 0.000 2.345 165 A HA 0.659 4.979 4.320 0.001 0.000 0.225 165 A C 1.959 179.574 177.584 0.051 0.000 1.243 165 A CA 0.922 53.045 52.037 0.144 0.000 0.875 165 A CB 0.028 19.171 19.000 0.239 0.000 0.929 165 A HN 0.615 nan 8.150 nan 0.000 0.502 166 L N -1.635 119.523 121.223 -0.107 0.000 2.590 166 L HA 0.429 4.769 4.340 0.001 0.000 0.227 166 L C 1.112 177.707 176.870 -0.459 0.000 1.099 166 L CA 0.522 55.244 54.840 -0.197 0.000 0.872 166 L CB 0.201 42.172 42.059 -0.147 0.000 1.088 166 L HN 0.497 nan 8.230 nan 0.000 0.479 167 G N -0.378 107.839 108.800 -0.972 0.000 2.369 167 G HA2 0.041 4.002 3.960 0.001 0.000 0.295 167 G HA3 0.041 4.002 3.960 0.001 0.000 0.295 167 G C -1.408 172.992 174.900 -0.832 0.000 1.298 167 G CA -0.888 43.361 45.100 -1.418 0.000 0.940 167 G HN -0.311 nan 8.290 nan 0.000 0.536 168 V N 0.668 120.275 119.914 -0.513 0.000 2.408 168 V HA 0.407 4.527 4.120 0.001 0.000 0.267 168 V C 0.803 176.810 176.094 -0.146 0.000 1.047 168 V CA -0.546 61.626 62.300 -0.213 0.000 0.937 168 V CB 1.156 32.945 31.823 -0.057 0.000 0.999 168 V HN 0.731 nan 8.190 nan 0.000 0.472 169 V N 5.787 125.630 119.914 -0.118 0.000 2.397 169 V HA 0.080 4.200 4.120 0.001 0.000 0.262 169 V C 1.522 177.584 176.094 -0.052 0.000 1.047 169 V CA 0.681 62.932 62.300 -0.080 0.000 1.003 169 V CB 0.632 32.413 31.823 -0.070 0.000 1.037 169 V HN 1.105 nan 8.190 nan 0.000 0.480 170 T N 0.358 114.887 114.554 -0.041 0.000 3.044 170 T HA 0.118 4.468 4.350 0.001 0.000 0.255 170 T C 0.730 175.417 174.700 -0.022 0.000 1.073 170 T CA 0.544 62.628 62.100 -0.027 0.000 1.125 170 T CB 0.236 69.092 68.868 -0.019 0.000 0.908 170 T HN 0.749 nan 8.240 nan 0.000 0.480 171 S N 0.165 115.853 115.700 -0.020 0.000 2.570 171 S HA 0.735 5.205 4.470 0.001 0.000 0.270 171 S C -1.918 172.677 174.600 -0.009 0.000 1.149 171 S CA -1.086 57.105 58.200 -0.016 0.000 0.837 171 S CB 1.696 64.890 63.200 -0.010 0.000 1.124 171 S HN 0.186 nan 8.310 nan 0.000 0.465 172 L N 1.049 122.268 121.223 -0.007 0.000 2.409 172 L HA 0.714 5.054 4.340 0.001 0.000 0.262 172 L C -0.328 176.549 176.870 0.013 0.000 0.992 172 L CA -0.445 54.401 54.840 0.011 0.000 0.817 172 L CB 2.383 44.446 42.059 0.006 0.000 1.350 172 L HN 0.831 nan 8.230 nan 0.000 0.411 173 T N 2.601 117.173 114.554 0.030 0.000 2.797 173 T HA 0.779 5.129 4.350 0.001 0.000 0.279 173 T C -0.732 173.991 174.700 0.038 0.000 0.991 173 T CA -0.364 61.750 62.100 0.023 0.000 0.979 173 T CB 1.172 70.046 68.868 0.010 0.000 0.943 173 T HN 0.139 nan 8.240 nan 0.000 0.444 174 L N 2.886 124.128 121.223 0.032 0.000 2.346 174 L HA 0.476 4.817 4.340 0.001 0.000 0.274 174 L C 0.033 176.922 176.870 0.032 0.000 1.007 174 L CA -0.690 54.178 54.840 0.048 0.000 0.818 174 L CB 1.607 43.702 42.059 0.059 0.000 1.284 174 L HN 0.525 nan 8.230 nan 0.000 0.424 175 D N 2.611 123.032 120.400 0.035 0.000 2.345 175 D HA 0.497 5.137 4.640 0.001 0.000 0.247 175 D C -0.380 175.925 176.300 0.007 0.000 1.108 175 D CA 0.136 54.146 54.000 0.016 0.000 0.894 175 D CB 1.210 42.020 40.800 0.017 0.000 1.203 175 D HN 0.236 nan 8.370 nan 0.000 0.430 176 L N 1.014 122.229 121.223 -0.014 0.000 2.301 176 L HA 0.494 4.834 4.340 0.001 0.000 0.264 176 L C 0.468 177.305 176.870 -0.054 0.000 1.016 176 L CA -0.911 53.903 54.840 -0.043 0.000 0.821 176 L CB 1.846 43.875 42.059 -0.050 0.000 1.346 176 L HN 0.404 nan 8.230 nan 0.000 0.429 177 E N 0.126 120.275 120.200 -0.085 0.000 2.378 177 E HA 0.581 4.931 4.350 0.001 0.000 0.265 177 E C -2.829 173.724 176.600 -0.078 0.000 0.932 177 E CA -2.433 53.923 56.400 -0.073 0.000 0.795 177 E CB 1.793 31.446 29.700 -0.077 0.000 1.296 177 E HN 0.155 nan 8.360 nan 0.000 0.438 178 P HA 0.024 nan 4.420 nan 0.000 0.266 178 P C -0.659 176.644 177.300 0.005 0.000 1.195 178 P CA 0.196 63.281 63.100 -0.026 0.000 0.768 178 P CB 0.538 32.233 31.700 -0.009 0.000 0.838 179 A N 3.576 126.386 122.820 -0.016 0.000 2.561 179 A HA 0.315 4.636 4.320 0.001 0.000 0.234 179 A C -0.341 177.336 177.584 0.155 0.000 1.055 179 A CA 0.579 52.617 52.037 0.003 0.000 0.756 179 A CB -0.872 18.205 19.000 0.128 0.000 0.986 179 A HN 0.605 nan 8.150 nan 0.000 0.505 180 Y N -0.965 119.367 120.300 0.053 0.000 2.581 180 Y HA 0.768 5.318 4.550 0.001 0.000 0.345 180 Y C -0.315 175.713 175.900 0.214 0.000 1.036 180 Y CA -1.184 56.963 58.100 0.079 0.000 1.042 180 Y CB 1.137 39.562 38.460 -0.058 0.000 1.289 180 Y HN 0.706 nan 8.280 nan 0.000 0.471 181 E N 2.258 122.604 120.200 0.244 0.000 2.248 181 E HA 0.629 4.980 4.350 0.001 0.000 0.272 181 E C -1.286 175.413 176.600 0.164 0.000 1.008 181 E CA -0.907 55.584 56.400 0.153 0.000 0.856 181 E CB 1.216 30.987 29.700 0.120 0.000 1.120 181 E HN 0.780 nan 8.360 nan 0.000 0.397 182 M N 1.793 121.449 119.600 0.094 0.000 2.575 182 M HA 0.358 4.838 4.480 0.001 0.000 0.284 182 M C -1.310 175.014 176.300 0.040 0.000 1.253 182 M CA -0.680 54.678 55.300 0.097 0.000 0.861 182 M CB 2.568 35.240 32.600 0.120 0.000 1.733 182 M HN 0.388 nan 8.290 nan 0.000 0.462 183 E N 1.185 121.417 120.200 0.053 0.000 2.238 183 E HA 0.437 4.787 4.350 0.001 0.000 0.267 183 E C -1.464 175.108 176.600 -0.047 0.000 0.887 183 E CA -0.801 55.581 56.400 -0.030 0.000 0.769 183 E CB 2.885 32.597 29.700 0.020 0.000 1.187 183 E HN 0.460 nan 8.360 nan 0.000 0.416 184 Q N 2.115 121.788 119.800 -0.211 0.000 2.348 184 Q HA 0.284 4.624 4.340 0.001 0.000 0.265 184 Q C -1.537 174.191 176.000 -0.453 0.000 0.998 184 Q CA -0.636 55.040 55.803 -0.211 0.000 0.831 184 Q CB 0.798 29.416 28.738 -0.201 0.000 1.251 184 Q HN 0.538 nan 8.270 nan 0.000 0.456 185 H N 1.604 120.536 119.070 -0.230 0.000 2.539 185 H HA 0.454 5.010 4.556 0.001 0.000 0.332 185 H C -0.930 174.102 175.328 -0.493 0.000 1.031 185 H CA -0.532 55.302 56.048 -0.358 0.000 1.206 185 H CB 1.544 31.219 29.762 -0.146 0.000 1.446 185 H HN 0.307 nan 8.280 nan 0.000 0.496 186 V N 4.630 124.115 119.914 -0.715 0.000 2.547 186 V HA 0.424 4.545 4.120 0.001 0.000 0.299 186 V C -0.494 175.145 176.094 -0.758 0.000 1.040 186 V CA -0.625 61.255 62.300 -0.700 0.000 0.913 186 V CB 0.878 32.117 31.823 -0.974 0.000 0.992 186 V HN 0.560 nan 8.190 nan 0.000 0.449 187 F N 1.019 120.880 119.950 -0.147 0.000 2.603 187 F HA 0.735 5.262 4.527 0.001 0.000 0.317 187 F C 0.373 176.206 175.800 0.056 0.000 1.066 187 F CA -0.695 57.303 58.000 -0.004 0.000 0.941 187 F CB 2.458 41.520 39.000 0.103 0.000 1.291 187 F HN 0.525 nan 8.300 nan 0.000 0.472 188 T N -1.720 112.989 114.554 0.258 0.000 2.908 188 T HA 0.535 4.886 4.350 0.001 0.000 0.290 188 T C -0.974 173.850 174.700 0.207 0.000 1.034 188 T CA -0.790 61.426 62.100 0.194 0.000 1.010 188 T CB 1.851 70.787 68.868 0.112 0.000 1.068 188 T HN 0.575 nan 8.240 nan 0.000 0.481 189 E N 0.052 120.362 120.200 0.183 0.000 2.442 189 E HA -0.151 4.200 4.350 0.001 0.000 0.177 189 E C -1.024 175.688 176.600 0.187 0.000 1.505 189 E CA 0.068 56.562 56.400 0.157 0.000 0.662 189 E CB -1.412 28.357 29.700 0.114 0.000 1.117 189 E HN 0.742 nan 8.360 nan 0.000 0.375 190 L N 2.167 123.534 121.223 0.240 0.000 2.260 190 L HA 0.432 4.772 4.340 0.001 0.000 0.289 190 L C -2.305 174.728 176.870 0.273 0.000 1.057 190 L CA -1.496 53.499 54.840 0.258 0.000 0.811 190 L CB 0.919 43.148 42.059 0.283 0.000 1.184 190 L HN -0.101 nan 8.230 nan 0.000 0.429 191 P HA 0.082 nan 4.420 nan 0.000 0.274 191 P C 0.153 177.569 177.300 0.192 0.000 1.231 191 P CA -0.395 62.788 63.100 0.139 0.000 0.790 191 P CB 0.898 32.661 31.700 0.106 0.000 0.951 192 L N 2.915 124.192 121.223 0.089 0.000 2.162 192 L HA 0.259 4.599 4.340 0.001 0.000 0.205 192 L C 0.840 177.788 176.870 0.131 0.000 1.086 192 L CA 0.986 55.891 54.840 0.109 0.000 0.778 192 L CB -1.222 40.774 42.059 -0.105 0.000 0.928 192 L HN 0.329 nan 8.230 nan 0.000 0.446 193 A N -0.150 122.737 122.820 0.112 0.000 2.548 193 A HA 0.401 4.721 4.320 0.001 0.000 0.247 193 A C 1.512 179.167 177.584 0.118 0.000 1.067 193 A CA 0.540 52.654 52.037 0.129 0.000 0.757 193 A CB -1.109 17.947 19.000 0.093 0.000 0.996 193 A HN 1.185 nan 8.150 nan 0.000 0.504 194 G N 0.997 109.869 108.800 0.120 0.000 2.205 194 G HA2 -0.186 3.775 3.960 0.001 0.000 0.261 194 G HA3 -0.186 3.775 3.960 0.001 0.000 0.261 194 G C 0.201 175.160 174.900 0.099 0.000 0.980 194 G CA 0.346 45.502 45.100 0.093 0.000 0.632 194 G HN 1.339 nan 8.290 nan 0.000 0.533 195 L N 2.694 123.994 121.223 0.129 0.000 2.477 195 L HA 0.500 4.841 4.340 0.001 0.000 0.272 195 L C 0.504 177.443 176.870 0.115 0.000 1.157 195 L CA -0.057 54.857 54.840 0.123 0.000 0.889 195 L CB 0.391 42.553 42.059 0.172 0.000 1.158 195 L HN 0.435 nan 8.230 nan 0.000 0.473 196 D N 4.683 125.130 120.400 0.079 0.000 2.384 196 D HA 0.452 5.093 4.640 0.001 0.000 0.250 196 D C -2.203 174.141 176.300 0.073 0.000 1.029 196 D CA -2.160 51.879 54.000 0.064 0.000 0.990 196 D CB 0.299 41.124 40.800 0.042 0.000 1.175 196 D HN 0.198 nan 8.370 nan 0.000 0.532 197 P HA -0.128 nan 4.420 nan 0.000 0.216 197 P C 1.172 178.525 177.300 0.089 0.000 1.150 197 P CA 2.470 65.611 63.100 0.069 0.000 0.843 197 P CB -0.018 31.698 31.700 0.027 0.000 0.787 198 A N -1.009 121.836 122.820 0.041 0.000 1.873 198 A HA -0.153 4.167 4.320 0.001 0.000 0.215 198 A C 2.239 179.809 177.584 -0.024 0.000 1.186 198 A CA 2.329 54.373 52.037 0.012 0.000 0.616 198 A CB -1.810 17.192 19.000 0.004 0.000 0.823 198 A HN 0.159 nan 8.150 nan 0.000 0.442 199 T N -0.749 113.783 114.554 -0.036 0.000 2.821 199 T HA -0.106 4.244 4.350 0.001 0.000 0.267 199 T C 1.596 176.185 174.700 -0.185 0.000 1.046 199 T CA 1.422 63.429 62.100 -0.155 0.000 1.139 199 T CB -0.396 68.391 68.868 -0.134 0.000 0.871 199 T HN 0.448 nan 8.240 nan 0.000 0.454 200 F N 2.491 122.340 119.950 -0.168 0.000 2.095 200 F HA -0.145 4.382 4.527 0.000 0.000 0.298 200 F C 2.366 178.071 175.800 -0.158 0.000 1.104 200 F CA 1.410 59.312 58.000 -0.162 0.000 1.232 200 F CB -0.177 38.760 39.000 -0.106 0.000 0.987 200 F HN 0.006 nan 8.300 nan 0.000 0.475 201 E N -0.215 119.924 120.200 -0.102 0.000 2.077 201 E HA -0.158 4.193 4.350 0.001 0.000 0.193 201 E C 2.265 178.729 176.600 -0.226 0.000 0.989 201 E CA 1.780 58.074 56.400 -0.176 0.000 0.800 201 E CB -0.906 28.771 29.700 -0.038 0.000 0.746 201 E HN 0.409 nan 8.360 nan 0.000 0.452 202 T N 1.381 115.816 114.554 -0.199 0.000 2.684 202 T HA -0.118 4.233 4.350 0.001 0.000 0.267 202 T C 2.171 176.737 174.700 -0.224 0.000 1.036 202 T CA 1.352 63.342 62.100 -0.184 0.000 1.148 202 T CB -0.293 68.471 68.868 -0.173 0.000 0.863 202 T HN -0.032 nan 8.240 nan 0.000 0.436 203 V N 1.812 121.506 119.914 -0.367 0.000 2.261 203 V HA -0.167 3.954 4.120 0.001 0.000 0.246 203 V C 2.552 178.494 176.094 -0.253 0.000 1.047 203 V CA 1.430 63.574 62.300 -0.261 0.000 1.015 203 V CB -0.520 31.085 31.823 -0.362 0.000 0.642 203 V HN 0.452 nan 8.190 nan 0.000 0.446 204 M N -0.180 119.140 119.600 -0.467 0.000 2.374 204 M HA -0.011 4.469 4.480 0.001 0.000 0.264 204 M C 1.987 178.137 176.300 -0.250 0.000 1.067 204 M CA 1.735 56.778 55.300 -0.428 0.000 1.103 204 M CB -1.371 30.853 32.600 -0.627 0.000 1.402 204 M HN 0.400 nan 8.290 nan 0.000 0.444 205 A N -0.547 122.155 122.820 -0.197 0.000 2.275 205 A HA 0.482 4.802 4.320 0.001 0.000 0.212 205 A C 2.127 179.676 177.584 -0.058 0.000 1.201 205 A CA 0.738 52.705 52.037 -0.117 0.000 0.843 205 A CB -0.500 18.441 19.000 -0.098 0.000 0.873 205 A HN 0.384 nan 8.150 nan 0.000 0.492 206 A N -0.755 122.039 122.820 -0.042 0.000 2.119 206 A HA 0.547 4.867 4.320 0.001 0.000 0.217 206 A C 1.162 178.753 177.584 0.011 0.000 1.153 206 A CA 1.296 53.349 52.037 0.026 0.000 0.692 206 A CB -0.296 18.783 19.000 0.132 0.000 0.799 206 A HN 1.263 nan 8.150 nan 0.000 0.458 207 A N -3.245 119.573 122.820 -0.003 0.000 2.588 207 A HA 0.527 4.847 4.320 0.001 0.000 0.290 207 A C 0.288 177.919 177.584 0.078 0.000 1.136 207 A CA -0.097 51.971 52.037 0.052 0.000 0.681 207 A CB -0.394 18.640 19.000 0.058 0.000 1.282 207 A HN 0.379 nan 8.150 nan 0.000 0.421 208 Y N 1.023 121.329 120.300 0.009 0.000 2.102 208 Y HA -0.047 4.503 4.550 0.000 0.000 0.280 208 Y C 1.181 177.086 175.900 0.008 0.000 1.178 208 Y CA 2.667 60.771 58.100 0.006 0.000 1.146 208 Y CB 0.139 38.618 38.460 0.032 0.000 0.968 208 Y HN 0.716 nan 8.280 nan 0.000 0.504 209 S N -0.110 115.628 115.700 0.064 0.000 2.614 209 S HA 0.664 5.134 4.470 0.001 0.000 0.288 209 S C -1.715 172.892 174.600 0.012 0.000 1.137 209 S CA -0.689 57.499 58.200 -0.020 0.000 0.992 209 S CB 1.137 64.375 63.200 0.063 0.000 1.026 209 S HN -0.038 nan 8.310 nan 0.000 0.486 210 V N 3.778 123.657 119.914 -0.059 0.000 2.656 210 V HA 0.672 4.792 4.120 0.001 0.000 0.307 210 V C -0.270 175.742 176.094 -0.138 0.000 1.051 210 V CA -0.636 61.616 62.300 -0.081 0.000 0.893 210 V CB 2.111 33.844 31.823 -0.149 0.000 0.999 210 V HN 0.871 nan 8.190 nan 0.000 0.426 211 S N 4.513 120.118 115.700 -0.158 0.000 2.513 211 S HA 0.768 5.238 4.470 0.001 0.000 0.299 211 S C -0.666 173.657 174.600 -0.463 0.000 1.087 211 S CA -0.578 57.381 58.200 -0.402 0.000 1.012 211 S CB 1.489 64.296 63.200 -0.656 0.000 1.044 211 S HN 0.522 nan 8.310 nan 0.000 0.485 212 L N 2.631 123.511 121.223 -0.570 0.000 2.334 212 L HA 0.660 5.001 4.340 0.001 0.000 0.275 212 L C -1.240 175.214 176.870 -0.693 0.000 1.036 212 L CA -0.576 53.966 54.840 -0.497 0.000 0.807 212 L CB 0.692 42.383 42.059 -0.613 0.000 1.231 212 L HN 0.530 nan 8.230 nan 0.000 0.438 213 F N 0.002 119.886 119.950 -0.110 0.000 2.551 213 F HA 0.644 5.171 4.527 0.000 0.000 0.316 213 F C 0.310 176.071 175.800 -0.065 0.000 1.089 213 F CA -0.546 57.379 58.000 -0.126 0.000 0.915 213 F CB 2.373 41.273 39.000 -0.168 0.000 1.186 213 F HN 0.314 nan 8.300 nan 0.000 0.456 214 T N -0.068 114.466 114.554 -0.033 0.000 2.883 214 T HA 0.305 4.655 4.350 0.001 0.000 0.301 214 T C -0.396 174.140 174.700 -0.273 0.000 1.158 214 T CA -0.639 61.306 62.100 -0.258 0.000 1.007 214 T CB 1.286 69.716 68.868 -0.729 0.000 1.186 214 T HN 0.668 nan 8.240 nan 0.000 0.499 215 D N 0.359 120.653 120.400 -0.178 0.000 2.349 215 D HA 0.052 4.692 4.640 0.001 0.000 0.214 215 D C 0.491 176.858 176.300 0.112 0.000 1.063 215 D CA -0.163 53.827 54.000 -0.016 0.000 0.847 215 D CB -0.467 40.356 40.800 0.038 0.000 0.933 215 D HN 0.810 nan 8.370 nan 0.000 0.513 216 W N 0.552 121.875 121.300 0.039 0.000 4.849 216 W HA -0.299 4.361 4.660 0.000 0.000 0.358 216 W C 1.246 177.784 176.519 0.032 0.000 1.331 216 W CA -0.054 57.307 57.345 0.028 0.000 0.844 216 W CB -1.524 27.991 29.460 0.091 0.000 2.434 216 W HN 0.074 nan 8.180 nan 0.000 1.458 217 R N 0.219 120.828 120.500 0.182 0.000 1.758 217 R HA 0.527 4.867 4.340 0.001 0.000 0.141 217 R C 1.403 177.760 176.300 0.095 0.000 2.075 217 R CA 0.168 56.346 56.100 0.131 0.000 1.687 217 R CB -0.737 29.619 30.300 0.094 0.000 1.239 217 R HN 0.020 nan 8.270 nan 0.000 0.477 218 A N 2.826 125.679 122.820 0.054 0.000 2.531 218 A HA 0.202 4.523 4.320 0.001 0.000 0.236 218 A C -2.156 175.438 177.584 0.017 0.000 1.062 218 A CA -0.875 51.184 52.037 0.036 0.000 0.760 218 A CB -0.454 18.561 19.000 0.025 0.000 0.995 218 A HN 0.139 nan 8.150 nan 0.000 0.501 219 P HA 0.365 nan 4.420 nan 0.000 0.266 219 P C 0.788 178.034 177.300 -0.090 0.000 1.193 219 P CA 1.795 64.893 63.100 -0.002 0.000 0.770 219 P CB 0.362 32.075 31.700 0.021 0.000 0.836 220 G N 1.097 109.754 108.800 -0.237 0.000 2.582 220 G HA2 -0.109 3.851 3.960 0.001 0.000 0.222 220 G HA3 -0.109 3.851 3.960 0.001 0.000 0.222 220 G C -1.287 173.192 174.900 -0.702 0.000 1.311 220 G CA -0.929 43.922 45.100 -0.416 0.000 0.915 220 G HN 0.312 nan 8.290 nan 0.000 0.528 221 F N 1.016 120.913 119.950 -0.089 0.000 2.436 221 F HA 0.636 5.164 4.527 0.000 0.000 0.340 221 F C 1.753 177.537 175.800 -0.025 0.000 1.113 221 F CA -1.039 56.890 58.000 -0.118 0.000 1.022 221 F CB 1.734 40.683 39.000 -0.084 0.000 1.128 221 F HN 0.337 nan 8.300 nan 0.000 0.466 222 R N 1.175 121.748 120.500 0.121 0.000 2.092 222 R HA 0.005 4.345 4.340 0.001 0.000 0.231 222 R C -0.200 176.216 176.300 0.192 0.000 1.119 222 R CA 0.980 57.153 56.100 0.122 0.000 0.970 222 R CB -0.220 30.126 30.300 0.077 0.000 0.864 222 R HN 0.715 nan 8.270 nan 0.000 0.440 223 Q N -0.515 119.450 119.800 0.275 0.000 2.418 223 Q HA 0.511 4.851 4.340 0.001 0.000 0.282 223 Q C -1.499 174.734 176.000 0.387 0.000 1.044 223 Q CA -0.705 55.311 55.803 0.355 0.000 0.813 223 Q CB 3.364 32.387 28.738 0.475 0.000 1.428 223 Q HN -0.199 nan 8.270 nan 0.000 0.402 224 V N 0.916 121.070 119.914 0.399 0.000 2.525 224 V HA 0.451 4.571 4.120 0.001 0.000 0.299 224 V C -1.527 174.810 176.094 0.405 0.000 1.034 224 V CA -0.734 61.746 62.300 0.299 0.000 0.863 224 V CB 1.111 33.034 31.823 0.167 0.000 0.999 224 V HN 0.659 nan 8.190 nan 0.000 0.423 225 W N 5.264 126.560 121.300 -0.006 0.000 2.361 225 W HA 0.722 5.383 4.660 0.001 0.000 0.314 225 W C -0.818 175.669 176.519 -0.053 0.000 1.041 225 W CA -1.078 56.257 57.345 -0.016 0.000 1.241 225 W CB 1.385 30.842 29.460 -0.004 0.000 1.279 225 W HN 0.265 nan 8.180 nan 0.000 0.436 226 L N 4.298 125.596 121.223 0.125 0.000 2.280 226 L HA 0.362 4.703 4.340 0.001 0.000 0.287 226 L C 0.041 176.992 176.870 0.135 0.000 1.023 226 L CA -1.056 53.828 54.840 0.072 0.000 0.819 226 L CB 0.860 42.928 42.059 0.014 0.000 1.212 226 L HN 0.205 nan 8.230 nan 0.000 0.420 227 K N 4.410 124.902 120.400 0.154 0.000 2.299 227 K HA 0.415 4.735 4.320 0.001 0.000 0.268 227 K C -0.278 176.448 176.600 0.210 0.000 1.075 227 K CA -0.570 55.826 56.287 0.181 0.000 0.936 227 K CB 1.332 33.961 32.500 0.214 0.000 1.228 227 K HN 0.348 nan 8.250 nan 0.000 0.454 228 R N 3.385 124.000 120.500 0.192 0.000 2.407 228 R HA 0.284 4.624 4.340 0.001 0.000 0.303 228 R C -0.672 175.716 176.300 0.147 0.000 0.981 228 R CA -0.645 55.561 56.100 0.177 0.000 0.905 228 R CB 0.884 31.286 30.300 0.170 0.000 1.099 228 R HN 0.583 nan 8.270 nan 0.000 0.459 229 R N 1.571 122.131 120.500 0.100 0.000 2.389 229 R HA 0.048 4.388 4.340 0.001 0.000 0.295 229 R C 1.348 177.688 176.300 0.067 0.000 1.075 229 R CA 0.281 56.410 56.100 0.049 0.000 1.005 229 R CB 0.927 31.149 30.300 -0.130 0.000 0.987 229 R HN 0.761 nan 8.270 nan 0.000 0.452 230 T N -2.005 112.602 114.554 0.089 0.000 3.007 230 T HA -0.141 4.209 4.350 0.001 0.000 0.270 230 T C 1.009 175.740 174.700 0.051 0.000 1.107 230 T CA 1.184 63.329 62.100 0.075 0.000 1.118 230 T CB -0.140 68.775 68.868 0.078 0.000 0.889 230 T HN 0.657 nan 8.240 nan 0.000 0.506 231 D N 0.820 121.242 120.400 0.036 0.000 2.325 231 D HA 0.053 4.693 4.640 0.001 0.000 0.234 231 D C 0.532 176.830 176.300 -0.003 0.000 1.122 231 D CA -0.283 53.725 54.000 0.013 0.000 0.850 231 D CB -0.016 40.785 40.800 0.002 0.000 0.921 231 D HN 0.291 nan 8.370 nan 0.000 0.513 232 R N 0.624 121.129 120.500 0.009 0.000 2.771 232 R HA 0.464 4.805 4.340 0.001 0.000 0.274 232 R C -2.823 173.492 176.300 0.025 0.000 0.987 232 R CA -1.751 54.356 56.100 0.012 0.000 0.908 232 R CB 1.089 31.398 30.300 0.015 0.000 1.213 232 R HN 0.020 nan 8.270 nan 0.000 0.468 233 P HA 0.188 nan 4.420 nan 0.000 0.275 233 P C -0.769 176.546 177.300 0.025 0.000 1.227 233 P CA -0.553 62.560 63.100 0.022 0.000 0.781 233 P CB 0.820 32.530 31.700 0.016 0.000 0.906 234 L N 3.308 124.542 121.223 0.018 0.000 2.325 234 L HA 0.435 4.776 4.340 0.001 0.000 0.281 234 L C -0.429 176.444 176.870 0.006 0.000 1.004 234 L CA -0.275 54.569 54.840 0.006 0.000 0.823 234 L CB 0.771 42.812 42.059 -0.030 0.000 1.236 234 L HN 0.214 nan 8.230 nan 0.000 0.415 235 D N 3.145 123.559 120.400 0.022 0.000 2.312 235 D HA 0.346 4.987 4.640 0.001 0.000 0.248 235 D C 0.193 176.513 176.300 0.034 0.000 1.086 235 D CA 0.025 54.040 54.000 0.025 0.000 0.948 235 D CB 1.352 42.171 40.800 0.032 0.000 1.162 235 D HN 0.782 nan 8.370 nan 0.000 0.446 236 G N 0.128 108.937 108.800 0.014 0.000 2.391 236 G HA2 0.050 4.010 3.960 0.001 0.000 0.234 236 G HA3 0.050 4.010 3.960 0.001 0.000 0.234 236 G C -0.651 174.261 174.900 0.020 0.000 1.284 236 G CA -0.097 45.010 45.100 0.012 0.000 0.873 236 G HN 0.329 nan 8.290 nan 0.000 0.549 237 F N 5.170 125.022 119.950 -0.164 0.000 2.310 237 F HA 0.418 4.946 4.527 0.001 0.000 0.365 237 F C -1.189 174.389 175.800 -0.370 0.000 1.080 237 F CA -2.636 55.184 58.000 -0.299 0.000 1.187 237 F CB 1.946 40.595 39.000 -0.584 0.000 1.465 237 F HN 0.333 nan 8.300 nan 0.000 0.496 238 P HA -0.092 nan 4.420 nan 0.000 0.241 238 P C 0.672 177.553 177.300 -0.698 0.000 1.191 238 P CA 0.980 63.675 63.100 -0.675 0.000 0.771 238 P CB -0.117 31.163 31.700 -0.699 0.000 0.929 239 Y N 0.424 120.288 120.300 -0.727 0.000 2.544 239 Y HA 0.379 4.930 4.550 0.001 0.000 0.286 239 Y C 1.460 177.224 175.900 -0.227 0.000 1.141 239 Y CA 0.197 57.974 58.100 -0.537 0.000 1.299 239 Y CB -0.142 37.857 38.460 -0.768 0.000 1.030 239 Y HN -0.019 nan 8.280 nan 0.000 0.543 240 A N -0.436 122.390 122.820 0.011 0.000 2.612 240 A HA 0.814 5.134 4.320 0.001 0.000 0.293 240 A C -1.135 176.657 177.584 0.347 0.000 1.075 240 A CA -0.599 51.578 52.037 0.233 0.000 0.680 240 A CB 0.237 19.470 19.000 0.388 0.000 1.279 240 A HN 0.088 nan 8.150 nan 0.000 0.411 241 A N 1.593 124.598 122.820 0.308 0.000 2.354 241 A HA 0.723 5.043 4.320 0.001 0.000 0.269 241 A C -2.512 175.270 177.584 0.329 0.000 1.109 241 A CA -1.430 50.773 52.037 0.277 0.000 0.800 241 A CB -0.441 18.653 19.000 0.157 0.000 1.045 241 A HN 0.496 nan 8.150 nan 0.000 0.489 242 P HA 0.252 nan 4.420 nan 0.000 0.268 242 P C -0.119 177.109 177.300 -0.119 0.000 1.204 242 P CA 0.160 63.189 63.100 -0.118 0.000 0.768 242 P CB 0.554 32.207 31.700 -0.077 0.000 0.842 243 A N 3.170 125.823 122.820 -0.277 0.000 2.511 243 A HA 0.345 4.665 4.320 0.001 0.000 0.242 243 A C 1.497 179.049 177.584 -0.053 0.000 1.069 243 A CA 0.414 52.334 52.037 -0.196 0.000 0.763 243 A CB -0.308 18.461 19.000 -0.385 0.000 1.001 243 A HN 0.592 nan 8.150 nan 0.000 0.498 244 A N 1.922 124.761 122.820 0.031 0.000 2.132 244 A HA 0.240 4.560 4.320 0.001 0.000 0.213 244 A C 0.791 178.517 177.584 0.237 0.000 1.154 244 A CA 0.670 52.781 52.037 0.124 0.000 0.753 244 A CB 0.039 19.075 19.000 0.059 0.000 0.826 244 A HN 0.817 nan 8.150 nan 0.000 0.469 245 E N -0.674 119.632 120.200 0.176 0.000 2.392 245 E HA 0.278 4.628 4.350 0.001 0.000 0.269 245 E C -1.175 175.455 176.600 0.050 0.000 0.924 245 E CA -0.904 55.637 56.400 0.235 0.000 0.784 245 E CB 1.568 31.318 29.700 0.085 0.000 1.292 245 E HN 0.179 nan 8.360 nan 0.000 0.447 246 K N 1.765 122.235 120.400 0.116 0.000 2.412 246 K HA 0.114 4.435 4.320 0.001 0.000 0.281 246 K C -0.456 176.065 176.600 -0.131 0.000 1.027 246 K CA 0.170 56.379 56.287 -0.130 0.000 0.989 246 K CB 0.413 32.925 32.500 0.020 0.000 0.935 246 K HN 0.286 nan 8.250 nan 0.000 0.475 247 M N 2.926 122.385 119.600 -0.235 0.000 2.578 247 M HA 0.217 4.697 4.480 0.001 0.000 0.321 247 M C -0.189 176.148 176.300 0.062 0.000 1.182 247 M CA -0.667 54.581 55.300 -0.088 0.000 0.965 247 M CB 1.415 33.934 32.600 -0.135 0.000 1.694 247 M HN 0.579 nan 8.290 nan 0.000 0.461 248 H N 2.652 121.729 119.070 0.012 0.000 2.472 248 H HA 0.354 4.911 4.556 0.000 0.000 0.338 248 H C -2.036 173.203 175.328 -0.150 0.000 1.133 248 H CA -1.607 54.439 56.048 -0.003 0.000 1.216 248 H CB 2.164 31.924 29.762 -0.004 0.000 1.497 248 H HN 0.260 nan 8.280 nan 0.000 0.500 249 P HA -0.157 nan 4.420 nan 0.000 0.217 249 P C 0.047 177.187 177.300 -0.266 0.000 1.151 249 P CA 0.975 63.511 63.100 -0.939 0.000 0.849 249 P CB 0.282 31.274 31.700 -1.180 0.000 0.787 250 V N 1.098 121.151 119.914 0.230 0.000 2.333 250 V HA 0.237 4.357 4.120 0.001 0.000 0.274 250 V C -2.249 173.824 176.094 -0.034 0.000 1.028 250 V CA -2.158 60.189 62.300 0.077 0.000 0.851 250 V CB 0.883 32.750 31.823 0.074 0.000 1.000 250 V HN -0.070 nan 8.190 nan 0.000 0.456 251 P HA 0.188 nan 4.420 nan 0.000 0.262 251 P C 1.017 178.289 177.300 -0.048 0.000 1.182 251 P CA 1.321 64.412 63.100 -0.016 0.000 0.761 251 P CB 0.565 32.271 31.700 0.010 0.000 0.795 252 G N 1.669 110.435 108.800 -0.056 0.000 2.175 252 G HA2 -0.200 3.760 3.960 0.001 0.000 0.244 252 G HA3 -0.200 3.760 3.960 0.001 0.000 0.244 252 G C 0.114 174.946 174.900 -0.113 0.000 0.982 252 G CA -0.385 44.680 45.100 -0.058 0.000 0.641 252 G HN 0.378 nan 8.290 nan 0.000 0.527 253 M N 0.434 119.880 119.600 -0.256 0.000 2.444 253 M HA 0.456 4.936 4.480 0.001 0.000 0.319 253 M C -2.455 173.702 176.300 -0.240 0.000 1.183 253 M CA -2.742 52.318 55.300 -0.400 0.000 1.032 253 M CB 0.370 32.415 32.600 -0.926 0.000 1.569 253 M HN -0.125 nan 8.290 nan 0.000 0.468 254 P HA 0.221 nan 4.420 nan 0.000 0.275 254 P C 0.002 177.426 177.300 0.206 0.000 1.276 254 P CA -0.033 63.113 63.100 0.078 0.000 0.782 254 P CB 0.264 32.016 31.700 0.086 0.000 0.851 255 A N 3.724 126.637 122.820 0.155 0.000 2.125 255 A HA -0.129 4.191 4.320 0.001 0.000 0.219 255 A C 2.047 179.668 177.584 0.062 0.000 1.156 255 A CA 1.158 53.272 52.037 0.128 0.000 0.671 255 A CB -1.207 17.834 19.000 0.068 0.000 0.794 255 A HN 0.434 nan 8.150 nan 0.000 0.459 256 V N 0.979 120.932 119.914 0.066 0.000 2.469 256 V HA -0.252 3.868 4.120 0.001 0.000 0.251 256 V C 1.819 177.939 176.094 0.044 0.000 1.064 256 V CA 2.427 64.758 62.300 0.051 0.000 1.066 256 V CB -0.794 31.066 31.823 0.062 0.000 0.667 256 V HN 0.633 nan 8.190 nan 0.000 0.461 257 N N -0.618 118.099 118.700 0.029 0.000 2.520 257 N HA -0.036 4.704 4.740 0.001 0.000 0.185 257 N C 0.579 176.033 175.510 -0.092 0.000 1.068 257 N CA 0.888 53.884 53.050 -0.089 0.000 0.911 257 N CB -0.514 37.702 38.487 -0.452 0.000 0.961 257 N HN 0.477 nan 8.380 nan 0.000 0.446 258 C N 0.893 120.146 119.300 -0.078 0.000 2.351 258 C HA 0.381 4.841 4.460 0.001 0.000 0.359 258 C C 1.106 176.041 174.990 -0.092 0.000 1.193 258 C CA -1.066 57.868 59.018 -0.139 0.000 2.270 258 C CB 1.080 28.716 27.740 -0.172 0.000 2.369 258 C HN 0.364 nan 8.230 nan 0.000 0.553 259 T N 0.502 114.997 114.554 -0.098 0.000 2.856 259 T HA 0.158 4.509 4.350 0.001 0.000 0.306 259 T C -0.114 174.507 174.700 -0.131 0.000 1.062 259 T CA -0.378 61.665 62.100 -0.094 0.000 1.083 259 T CB 0.341 69.161 68.868 -0.081 0.000 0.984 259 T HN 0.628 nan 8.240 nan 0.000 0.542 260 E N 2.156 122.278 120.200 -0.131 0.000 2.384 260 E HA 0.173 4.524 4.350 0.001 0.000 0.266 260 E C 0.265 176.735 176.600 -0.218 0.000 1.012 260 E CA 0.116 56.433 56.400 -0.138 0.000 0.901 260 E CB 0.712 30.351 29.700 -0.103 0.000 0.967 260 E HN 0.701 nan 8.360 nan 0.000 0.435 261 Q N -0.009 119.631 119.800 -0.266 0.000 3.067 261 Q HA 0.440 4.780 4.340 0.001 0.000 0.200 261 Q C -0.429 175.380 176.000 -0.319 0.000 1.068 261 Q CA -0.921 54.596 55.803 -0.476 0.000 0.800 261 Q CB 0.561 28.807 28.738 -0.820 0.000 2.832 261 Q HN 0.410 nan 8.270 nan 0.000 0.405 262 F N 0.161 119.881 119.950 -0.385 0.000 3.084 262 F HA -0.215 4.312 4.527 0.000 0.000 0.286 262 F C 0.956 176.529 175.800 -0.379 0.000 0.855 262 F CA 1.087 58.889 58.000 -0.330 0.000 1.091 262 F CB -2.129 36.735 39.000 -0.226 0.000 1.177 262 F HN 0.812 nan 8.300 nan 0.000 0.542 263 G N -1.059 107.410 108.800 -0.553 0.000 2.168 263 G HA2 -0.234 3.727 3.960 0.001 0.000 0.257 263 G HA3 -0.234 3.727 3.960 0.001 0.000 0.257 263 G C 0.080 174.831 174.900 -0.247 0.000 0.997 263 G CA 0.015 44.685 45.100 -0.716 0.000 0.708 263 G HN 0.755 nan 8.290 nan 0.000 0.520 264 V N 2.125 121.941 119.914 -0.163 0.000 2.446 264 V HA 0.300 4.420 4.120 0.001 0.000 0.276 264 V C -1.219 174.826 176.094 -0.081 0.000 1.030 264 V CA -1.055 61.194 62.300 -0.085 0.000 1.033 264 V CB 0.906 32.693 31.823 -0.060 0.000 0.993 264 V HN 0.180 nan 8.190 nan 0.000 0.477 265 P HA 0.413 nan 4.420 nan 0.000 0.268 265 P C 0.192 177.469 177.300 -0.037 0.000 1.205 265 P CA 0.377 63.464 63.100 -0.022 0.000 0.771 265 P CB 0.869 32.574 31.700 0.008 0.000 0.858 266 G N 2.280 111.053 108.800 -0.046 0.000 2.608 266 G HA2 0.553 4.513 3.960 0.001 0.000 0.291 266 G HA3 0.553 4.513 3.960 0.001 0.000 0.291 266 G C -3.293 171.547 174.900 -0.100 0.000 1.425 266 G CA -1.320 43.729 45.100 -0.085 0.000 0.787 266 G HN 0.200 nan 8.290 nan 0.000 0.484 267 P HA 0.035 nan 4.420 nan 0.000 0.271 267 P C 1.292 178.388 177.300 -0.339 0.000 1.218 267 P CA -0.392 62.568 63.100 -0.233 0.000 0.780 267 P CB 0.623 32.002 31.700 -0.534 0.000 0.901 268 W N 5.020 126.129 121.300 -0.318 0.000 2.257 268 W HA -0.279 4.381 4.660 0.000 0.000 0.325 268 W C 1.388 177.797 176.519 -0.183 0.000 1.296 268 W CA 2.284 59.391 57.345 -0.397 0.000 1.297 268 W CB -2.514 26.349 29.460 -0.995 0.000 1.131 268 W HN 0.540 nan 8.180 nan 0.000 0.492 269 H N 0.274 118.510 119.070 -1.389 0.000 2.555 269 H HA 0.194 4.750 4.556 0.000 0.000 0.269 269 H C 0.770 175.735 175.328 -0.605 0.000 0.988 269 H CA 1.164 56.516 56.048 -1.160 0.000 1.178 269 H CB -0.851 27.826 29.762 -1.808 0.000 1.373 269 H HN 0.362 nan 8.280 nan 0.000 0.588 270 E N 0.288 119.977 120.200 -0.852 0.000 2.476 270 E HA 0.152 4.502 4.350 0.001 0.000 0.196 270 E C 1.169 177.589 176.600 -0.300 0.000 1.029 270 E CA -0.237 55.831 56.400 -0.554 0.000 0.896 270 E CB 0.669 30.015 29.700 -0.590 0.000 1.012 270 E HN 0.244 nan 8.360 nan 0.000 0.475 271 R N -0.583 119.780 120.500 -0.227 0.000 2.470 271 R HA 0.213 4.554 4.340 0.001 0.000 0.210 271 R C 1.969 178.270 176.300 0.001 0.000 0.873 271 R CA 0.054 56.101 56.100 -0.088 0.000 1.015 271 R CB 0.067 30.337 30.300 -0.050 0.000 1.348 271 R HN 0.125 nan 8.270 nan 0.000 0.650 272 L N 1.672 122.899 121.223 0.007 0.000 2.027 272 L HA -0.001 4.339 4.340 0.001 0.000 0.206 272 L C -1.295 175.541 176.870 -0.055 0.000 1.074 272 L CA 0.922 55.798 54.840 0.059 0.000 0.745 272 L CB -1.361 40.781 42.059 0.138 0.000 0.898 272 L HN 0.005 nan 8.230 nan 0.000 0.433 273 P HA 0.004 nan 4.420 nan 0.000 0.272 273 P C -0.193 176.991 177.300 -0.193 0.000 1.230 273 P CA 0.401 63.364 63.100 -0.227 0.000 0.788 273 P CB 0.307 31.905 31.700 -0.170 0.000 0.949 274 H N -0.838 118.039 119.070 -0.322 0.000 2.525 274 H HA 0.158 4.715 4.556 0.001 0.000 0.275 274 H C -0.030 174.788 175.328 -0.850 0.000 0.984 274 H CA 0.255 55.916 56.048 -0.645 0.000 1.264 274 H CB -0.091 28.949 29.762 -1.204 0.000 1.432 274 H HN 0.291 nan 8.280 nan 0.000 0.549 275 F N 1.024 120.951 119.950 -0.040 0.000 2.482 275 F HA 0.353 4.881 4.527 0.001 0.000 0.331 275 F C 0.444 176.236 175.800 -0.013 0.000 1.115 275 F CA -1.150 56.805 58.000 -0.076 0.000 0.955 275 F CB 1.128 40.130 39.000 0.003 0.000 1.136 275 F HN -0.171 nan 8.300 nan 0.000 0.452 276 R N 1.139 121.732 120.500 0.156 0.000 2.623 276 R HA 0.234 4.574 4.340 0.001 0.000 0.271 276 R C 1.065 177.486 176.300 0.202 0.000 1.043 276 R CA 0.345 56.512 56.100 0.111 0.000 1.083 276 R CB 0.777 31.134 30.300 0.095 0.000 0.974 276 R HN 0.930 nan 8.270 nan 0.000 0.436 277 A N 3.389 126.266 122.820 0.096 0.000 2.070 277 A HA -0.177 4.143 4.320 0.001 0.000 0.220 277 A C 1.641 179.425 177.584 0.333 0.000 1.159 277 A CA 1.412 53.550 52.037 0.168 0.000 0.656 277 A CB -0.170 18.868 19.000 0.063 0.000 0.800 277 A HN 0.816 nan 8.150 nan 0.000 0.453 278 E N -1.203 119.128 120.200 0.218 0.000 2.204 278 E HA -0.076 4.275 4.350 0.001 0.000 0.195 278 E C 0.343 177.094 176.600 0.251 0.000 0.990 278 E CA 0.375 56.889 56.400 0.189 0.000 0.821 278 E CB -0.206 29.572 29.700 0.131 0.000 0.750 278 E HN 0.616 nan 8.360 nan 0.000 0.477 279 F N 2.058 122.114 119.950 0.177 0.000 2.487 279 F HA 0.076 4.604 4.527 0.001 0.000 0.364 279 F C 0.116 176.041 175.800 0.208 0.000 1.126 279 F CA -0.111 57.996 58.000 0.179 0.000 1.135 279 F CB 0.381 39.505 39.000 0.207 0.000 1.127 279 F HN -0.236 nan 8.300 nan 0.000 0.559 280 T N 5.281 119.726 114.554 -0.183 0.000 3.427 280 T HA 0.380 4.730 4.350 0.001 0.000 0.306 280 T C -2.577 171.947 174.700 -0.293 0.000 1.733 280 T CA -1.595 60.330 62.100 -0.292 0.000 1.599 280 T CB -0.213 68.482 68.868 -0.288 0.000 0.964 280 T HN 0.398 nan 8.240 nan 0.000 0.701 281 P HA 0.192 nan 4.420 nan 0.000 0.271 281 P C 1.019 178.381 177.300 0.103 0.000 1.220 281 P CA -0.204 62.775 63.100 -0.201 0.000 0.768 281 P CB 1.425 33.012 31.700 -0.188 0.000 0.848 282 S N 1.308 117.000 115.700 -0.013 0.000 2.496 282 S HA 0.063 4.533 4.470 0.001 0.000 0.224 282 S C 0.798 175.280 174.600 -0.198 0.000 0.996 282 S CA 0.398 58.599 58.200 0.001 0.000 0.927 282 S CB -0.414 62.757 63.200 -0.048 0.000 0.774 282 S HN 0.705 nan 8.310 nan 0.000 0.524 283 S N -1.224 114.171 115.700 -0.508 0.000 2.625 283 S HA 0.789 5.259 4.470 0.001 0.000 0.271 283 S C -0.581 173.223 174.600 -1.327 0.000 1.161 283 S CA -0.479 57.040 58.200 -1.135 0.000 0.820 283 S CB 1.216 64.050 63.200 -0.610 0.000 1.137 283 S HN 0.745 nan 8.310 nan 0.000 0.470 284 G N -0.571 107.239 108.800 -1.650 0.000 2.682 284 G HA2 0.689 4.650 3.960 0.001 0.000 0.300 284 G HA3 0.689 4.650 3.960 0.001 0.000 0.300 284 G C -0.498 174.158 174.900 -0.406 0.000 1.391 284 G CA -0.455 44.046 45.100 -0.997 0.000 0.990 284 G HN 1.345 nan 8.290 nan 0.000 0.501 285 A N 1.876 124.611 122.820 -0.142 0.000 3.091 285 A HA 0.619 4.939 4.320 0.001 0.000 0.264 285 A C 0.392 178.028 177.584 0.086 0.000 1.673 285 A CA -0.181 51.840 52.037 -0.027 0.000 1.362 285 A CB -0.680 18.313 19.000 -0.012 0.000 1.137 285 A HN 0.816 nan 8.150 nan 0.000 0.617 286 E N 0.381 120.678 120.200 0.162 0.000 2.407 286 E HA 0.709 5.059 4.350 0.001 0.000 0.279 286 E C -1.764 175.051 176.600 0.358 0.000 1.012 286 E CA -0.940 55.621 56.400 0.268 0.000 0.800 286 E CB 1.052 30.944 29.700 0.319 0.000 1.276 286 E HN 0.208 nan 8.360 nan 0.000 0.452 287 L N 0.588 121.989 121.223 0.296 0.000 2.303 287 L HA 0.544 4.885 4.340 0.001 0.000 0.266 287 L C -0.305 176.523 176.870 -0.069 0.000 1.011 287 L CA -0.881 54.085 54.840 0.210 0.000 0.818 287 L CB 2.073 44.317 42.059 0.308 0.000 1.326 287 L HN 0.562 nan 8.230 nan 0.000 0.435 288 Q N 0.280 119.741 119.800 -0.564 0.000 2.397 288 Q HA 0.621 4.962 4.340 0.001 0.000 0.275 288 Q C -1.576 174.308 176.000 -0.193 0.000 1.090 288 Q CA -0.645 54.839 55.803 -0.532 0.000 0.809 288 Q CB 2.847 31.104 28.738 -0.803 0.000 1.362 288 Q HN 0.573 nan 8.270 nan 0.000 0.431 289 S N 0.899 116.498 115.700 -0.169 0.000 2.569 289 S HA 0.567 5.037 4.470 0.001 0.000 0.280 289 S C -1.484 173.043 174.600 -0.121 0.000 1.111 289 S CA -0.733 57.488 58.200 0.034 0.000 0.887 289 S CB 2.219 65.696 63.200 0.461 0.000 1.095 289 S HN 0.592 nan 8.310 nan 0.000 0.476 290 E N 0.870 120.945 120.200 -0.207 0.000 2.343 290 E HA 0.487 4.837 4.350 0.001 0.000 0.278 290 E C -2.094 174.256 176.600 -0.416 0.000 0.910 290 E CA -0.513 55.842 56.400 -0.075 0.000 0.757 290 E CB 1.263 31.092 29.700 0.216 0.000 1.218 290 E HN 0.606 nan 8.360 nan 0.000 0.435 291 Y N 2.556 122.996 120.300 0.232 0.000 2.350 291 Y HA 0.464 5.014 4.550 0.001 0.000 0.338 291 Y C -0.652 175.306 175.900 0.096 0.000 0.961 291 Y CA -0.789 57.395 58.100 0.140 0.000 1.100 291 Y CB 1.453 40.007 38.460 0.155 0.000 1.179 291 Y HN 0.359 nan 8.280 nan 0.000 0.454 292 L N 4.822 126.119 121.223 0.123 0.000 2.325 292 L HA 0.662 5.002 4.340 0.001 0.000 0.281 292 L C -0.516 176.380 176.870 0.043 0.000 1.004 292 L CA -0.168 54.695 54.840 0.039 0.000 0.823 292 L CB 1.256 43.285 42.059 -0.049 0.000 1.236 292 L HN 0.629 nan 8.230 nan 0.000 0.415 293 M N 3.384 123.016 119.600 0.054 0.000 2.658 293 M HA 0.556 5.036 4.480 0.001 0.000 0.295 293 M C -2.510 173.826 176.300 0.060 0.000 1.248 293 M CA -1.848 53.505 55.300 0.088 0.000 0.843 293 M CB 2.540 35.222 32.600 0.137 0.000 1.749 293 M HN 0.194 nan 8.290 nan 0.000 0.464 294 P HA 0.043 nan 4.420 nan 0.000 0.264 294 P C -0.114 177.167 177.300 -0.032 0.000 1.183 294 P CA 0.287 63.391 63.100 0.006 0.000 0.763 294 P CB 0.470 32.155 31.700 -0.026 0.000 0.807 295 R N 3.728 124.200 120.500 -0.047 0.000 2.127 295 R HA -0.187 4.153 4.340 0.001 0.000 0.238 295 R C 1.880 178.141 176.300 -0.065 0.000 1.134 295 R CA 1.448 57.532 56.100 -0.026 0.000 0.975 295 R CB -0.129 30.170 30.300 -0.001 0.000 0.865 295 R HN 0.566 nan 8.270 nan 0.000 0.447 296 E N -0.597 119.519 120.200 -0.139 0.000 2.265 296 E HA -0.226 4.125 4.350 0.001 0.000 0.196 296 E C 0.716 177.196 176.600 -0.200 0.000 0.996 296 E CA 1.510 57.799 56.400 -0.184 0.000 0.832 296 E CB -0.455 29.098 29.700 -0.246 0.000 0.756 296 E HN 0.656 nan 8.360 nan 0.000 0.491 297 H N 0.272 119.286 119.070 -0.094 0.000 2.539 297 H HA 0.326 4.883 4.556 0.001 0.000 0.267 297 H C 2.004 177.119 175.328 -0.356 0.000 0.982 297 H CA 0.132 56.061 56.048 -0.198 0.000 1.146 297 H CB 0.432 30.116 29.762 -0.131 0.000 1.382 297 H HN 0.336 nan 8.280 nan 0.000 0.577 298 A N 1.360 124.046 122.820 -0.223 0.000 1.859 298 A HA -0.193 4.127 4.320 0.001 0.000 0.217 298 A C 2.136 179.438 177.584 -0.470 0.000 1.198 298 A CA 1.320 53.107 52.037 -0.416 0.000 0.629 298 A CB -0.577 17.995 19.000 -0.715 0.000 0.830 298 A HN 0.310 nan 8.150 nan 0.000 0.446 299 L N -0.928 120.051 121.223 -0.407 0.000 2.046 299 L HA -0.163 4.177 4.340 0.001 0.000 0.208 299 L C 3.055 179.876 176.870 -0.083 0.000 1.077 299 L CA 2.054 56.762 54.840 -0.221 0.000 0.747 299 L CB -1.617 40.387 42.059 -0.091 0.000 0.896 299 L HN 0.493 nan 8.230 nan 0.000 0.432 300 A N -0.311 122.404 122.820 -0.176 0.000 1.902 300 A HA -0.144 4.176 4.320 0.001 0.000 0.217 300 A C 2.506 179.819 177.584 -0.450 0.000 1.181 300 A CA 1.749 53.658 52.037 -0.212 0.000 0.623 300 A CB -0.540 18.334 19.000 -0.211 0.000 0.818 300 A HN 0.418 nan 8.150 nan 0.000 0.443 301 A N -0.273 122.098 122.820 -0.747 0.000 1.898 301 A HA -0.013 4.307 4.320 0.001 0.000 0.216 301 A C 2.162 179.644 177.584 -0.169 0.000 1.181 301 A CA 1.446 53.134 52.037 -0.581 0.000 0.620 301 A CB -0.593 18.127 19.000 -0.467 0.000 0.819 301 A HN 0.466 nan 8.150 nan 0.000 0.442 302 L N -1.398 119.757 121.223 -0.113 0.000 2.046 302 L HA -0.190 4.150 4.340 0.001 0.000 0.208 302 L C 2.646 179.480 176.870 -0.059 0.000 1.077 302 L CA 1.280 56.145 54.840 0.043 0.000 0.747 302 L CB -0.700 41.410 42.059 0.085 0.000 0.896 302 L HN 0.472 nan 8.230 nan 0.000 0.432 303 H N -0.458 118.603 119.070 -0.014 0.000 2.389 303 H HA -0.031 4.526 4.556 0.001 0.000 0.299 303 H C 2.268 177.567 175.328 -0.049 0.000 1.081 303 H CA 1.304 57.344 56.048 -0.013 0.000 1.345 303 H CB 0.110 29.868 29.762 -0.007 0.000 1.393 303 H HN 0.355 nan 8.280 nan 0.000 0.520 304 A N 1.020 123.876 122.820 0.061 0.000 1.902 304 A HA -0.182 4.139 4.320 0.001 0.000 0.217 304 A C 2.586 180.103 177.584 -0.112 0.000 1.181 304 A CA 1.563 53.620 52.037 0.033 0.000 0.623 304 A CB -0.577 18.520 19.000 0.161 0.000 0.818 304 A HN 0.270 nan 8.150 nan 0.000 0.443 305 M N -0.898 118.566 119.600 -0.227 0.000 2.132 305 M HA -0.139 4.342 4.480 0.001 0.000 0.263 305 M C 1.973 177.790 176.300 -0.805 0.000 1.065 305 M CA 2.010 56.977 55.300 -0.554 0.000 1.122 305 M CB -0.580 31.612 32.600 -0.680 0.000 1.365 305 M HN 0.560 nan 8.290 nan 0.000 0.411 306 D N 0.577 120.592 120.400 -0.641 0.000 2.149 306 D HA -0.165 4.475 4.640 0.001 0.000 0.198 306 D C 1.842 178.048 176.300 -0.156 0.000 0.990 306 D CA 1.749 55.553 54.000 -0.327 0.000 0.839 306 D CB 0.110 40.887 40.800 -0.039 0.000 0.948 306 D HN 0.315 nan 8.370 nan 0.000 0.460 307 A N 0.197 122.951 122.820 -0.111 0.000 2.067 307 A HA 0.011 4.331 4.320 0.001 0.000 0.219 307 A C 2.111 179.651 177.584 -0.073 0.000 1.158 307 A CA 1.173 53.180 52.037 -0.050 0.000 0.661 307 A CB -0.783 18.207 19.000 -0.016 0.000 0.801 307 A HN 0.591 nan 8.150 nan 0.000 0.452 308 I N -2.882 117.609 120.570 -0.133 0.000 3.927 308 I HA 0.212 4.383 4.170 0.001 0.000 0.332 308 I C 1.601 177.645 176.117 -0.123 0.000 1.485 308 I CA 0.004 61.235 61.300 -0.115 0.000 1.131 308 I CB 0.087 38.015 38.000 -0.121 0.000 1.092 308 I HN 0.272 nan 8.210 nan 0.000 0.410 309 R N 1.359 121.779 120.500 -0.133 0.000 2.127 309 R HA -0.137 4.203 4.340 0.001 0.000 0.238 309 R C 1.165 177.496 176.300 0.051 0.000 1.134 309 R CA 1.766 57.831 56.100 -0.059 0.000 0.975 309 R CB -0.706 29.633 30.300 0.065 0.000 0.865 309 R HN 0.534 nan 8.270 nan 0.000 0.447 310 E N 0.412 120.631 120.200 0.033 0.000 2.204 310 E HA -0.105 4.246 4.350 0.001 0.000 0.195 310 E C 1.510 178.135 176.600 0.042 0.000 0.990 310 E CA 1.678 58.107 56.400 0.047 0.000 0.821 310 E CB 0.029 29.747 29.700 0.030 0.000 0.750 310 E HN 0.473 nan 8.360 nan 0.000 0.477 311 T N 1.229 115.793 114.554 0.017 0.000 2.851 311 T HA -0.013 4.337 4.350 0.001 0.000 0.262 311 T C 2.005 176.734 174.700 0.049 0.000 1.043 311 T CA 0.502 62.607 62.100 0.008 0.000 1.140 311 T CB -0.044 68.805 68.868 -0.032 0.000 0.872 311 T HN 0.058 nan 8.240 nan 0.000 0.446 312 L N 1.033 122.303 121.223 0.079 0.000 2.027 312 L HA -0.027 4.313 4.340 0.001 0.000 0.206 312 L C 3.114 180.169 176.870 0.308 0.000 1.074 312 L CA 1.239 56.212 54.840 0.222 0.000 0.745 312 L CB -0.782 41.394 42.059 0.195 0.000 0.898 312 L HN 0.216 nan 8.230 nan 0.000 0.433 313 A N 0.554 123.528 122.820 0.256 0.000 1.892 313 A HA -0.147 4.173 4.320 0.001 0.000 0.218 313 A C 0.027 177.739 177.584 0.214 0.000 1.188 313 A CA 1.885 54.079 52.037 0.262 0.000 0.631 313 A CB -1.893 17.236 19.000 0.215 0.000 0.822 313 A HN 0.304 nan 8.150 nan 0.000 0.447 314 P HA -0.072 nan 4.420 nan 0.000 0.222 314 P C 1.029 178.416 177.300 0.144 0.000 1.147 314 P CA 1.637 64.811 63.100 0.124 0.000 0.790 314 P CB -0.086 31.663 31.700 0.081 0.000 0.780 315 V N -5.245 114.788 119.914 0.199 0.000 3.427 315 V HA 0.302 4.423 4.120 0.001 0.000 0.305 315 V C 0.289 176.645 176.094 0.437 0.000 1.412 315 V CA -0.472 61.966 62.300 0.229 0.000 1.086 315 V CB -0.532 31.349 31.823 0.097 0.000 0.964 315 V HN -0.124 nan 8.190 nan 0.000 0.439 316 L N 0.915 122.384 121.223 0.410 0.000 2.317 316 L HA 0.534 4.875 4.340 0.001 0.000 0.281 316 L C 1.020 178.038 176.870 0.247 0.000 1.024 316 L CA 0.414 55.495 54.840 0.403 0.000 0.810 316 L CB 1.935 44.244 42.059 0.417 0.000 1.240 316 L HN 0.159 nan 8.230 nan 0.000 0.427 317 Q N 1.536 121.454 119.800 0.197 0.000 2.159 317 Q HA 0.190 4.531 4.340 0.001 0.000 0.194 317 Q C -0.118 175.949 176.000 0.111 0.000 0.968 317 Q CA 0.726 56.614 55.803 0.141 0.000 0.837 317 Q CB 0.489 29.313 28.738 0.142 0.000 0.920 317 Q HN 0.716 nan 8.270 nan 0.000 0.485 318 T N -1.019 113.593 114.554 0.097 0.000 2.889 318 T HA 0.328 4.678 4.350 0.001 0.000 0.315 318 T C -2.052 172.660 174.700 0.021 0.000 1.291 318 T CA -0.609 61.539 62.100 0.080 0.000 1.028 318 T CB 1.680 70.611 68.868 0.104 0.000 1.235 318 T HN 0.310 nan 8.240 nan 0.000 0.491 319 C N 3.425 122.696 119.300 -0.049 0.000 2.379 319 C HA 0.815 5.275 4.460 0.001 0.000 0.323 319 C C -0.336 174.562 174.990 -0.154 0.000 1.262 319 C CA -0.341 58.517 59.018 -0.268 0.000 1.581 319 C CB 0.190 27.706 27.740 -0.375 0.000 2.221 319 C HN 1.001 nan 8.230 nan 0.000 0.497 320 E N 5.359 125.459 120.200 -0.167 0.000 2.176 320 E HA 0.569 4.920 4.350 0.001 0.000 0.267 320 E C -1.019 175.412 176.600 -0.282 0.000 0.893 320 E CA -0.587 55.597 56.400 -0.359 0.000 0.761 320 E CB 1.004 30.510 29.700 -0.322 0.000 1.133 320 E HN 0.681 nan 8.360 nan 0.000 0.409 321 I N 4.284 124.646 120.570 -0.346 0.000 2.377 321 I HA 0.468 4.639 4.170 0.001 0.000 0.293 321 I C 0.325 176.321 176.117 -0.202 0.000 0.987 321 I CA -0.442 60.751 61.300 -0.179 0.000 1.185 321 I CB 1.110 39.036 38.000 -0.124 0.000 1.341 321 I HN 0.625 nan 8.210 nan 0.000 0.455 322 R N 2.676 123.123 120.500 -0.088 0.000 2.869 322 R HA 0.746 5.086 4.340 0.001 0.000 0.263 322 R C -0.590 175.681 176.300 -0.048 0.000 1.066 322 R CA -0.799 55.254 56.100 -0.078 0.000 0.960 322 R CB 2.551 32.849 30.300 -0.004 0.000 1.221 322 R HN 0.730 nan 8.270 nan 0.000 0.474 323 T N -1.969 112.543 114.554 -0.070 0.000 2.907 323 T HA 0.730 5.081 4.350 0.001 0.000 0.292 323 T C -0.697 173.950 174.700 -0.088 0.000 1.043 323 T CA -0.704 61.352 62.100 -0.072 0.000 1.003 323 T CB 1.729 70.546 68.868 -0.086 0.000 1.084 323 T HN 0.193 nan 8.240 nan 0.000 0.483 324 V N 0.923 120.777 119.914 -0.100 0.000 2.808 324 V HA 0.774 4.895 4.120 0.001 0.000 0.308 324 V C 0.379 176.428 176.094 -0.076 0.000 1.099 324 V CA -1.249 60.993 62.300 -0.096 0.000 0.920 324 V CB 1.637 33.369 31.823 -0.152 0.000 1.014 324 V HN 1.391 nan 8.190 nan 0.000 0.425 325 A N 2.745 125.527 122.820 -0.062 0.000 2.351 325 A HA 0.785 5.106 4.320 0.001 0.000 0.257 325 A C 0.799 178.355 177.584 -0.045 0.000 1.087 325 A CA 0.291 52.296 52.037 -0.054 0.000 0.798 325 A CB 0.435 19.406 19.000 -0.049 0.000 1.033 325 A HN 1.809 nan 8.150 nan 0.000 0.488 326 A N 1.634 124.422 122.820 -0.054 0.000 2.587 326 A HA 0.296 4.616 4.320 0.001 0.000 0.235 326 A C 0.230 177.790 177.584 -0.040 0.000 1.044 326 A CA 0.512 52.509 52.037 -0.068 0.000 0.754 326 A CB -0.152 18.790 19.000 -0.098 0.000 0.968 326 A HN 0.836 nan 8.150 nan 0.000 0.509 327 D N 1.302 121.687 120.400 -0.025 0.000 2.185 327 D HA 0.571 5.211 4.640 0.001 0.000 0.247 327 D C 0.812 177.162 176.300 0.083 0.000 1.027 327 D CA 0.283 54.311 54.000 0.047 0.000 0.861 327 D CB 1.852 42.710 40.800 0.097 0.000 1.202 327 D HN 0.421 nan 8.370 nan 0.000 0.453 328 A N 3.460 126.355 122.820 0.126 0.000 2.072 328 A HA -0.022 4.298 4.320 0.001 0.000 0.216 328 A C 0.957 178.731 177.584 0.317 0.000 1.156 328 A CA 0.487 52.652 52.037 0.214 0.000 0.701 328 A CB -0.057 19.042 19.000 0.164 0.000 0.816 328 A HN 0.499 nan 8.150 nan 0.000 0.458 329 Q N -0.012 119.900 119.800 0.186 0.000 2.289 329 Q HA -0.028 4.312 4.340 0.001 0.000 0.273 329 Q C 0.420 176.581 176.000 0.268 0.000 1.029 329 Q CA -0.239 55.589 55.803 0.042 0.000 0.896 329 Q CB 0.331 29.044 28.738 -0.041 0.000 1.182 329 Q HN 0.697 nan 8.270 nan 0.000 0.385 330 W N 2.516 123.829 121.300 0.021 0.000 2.325 330 W HA -0.170 4.491 4.660 0.001 0.000 0.299 330 W C 1.420 177.857 176.519 -0.137 0.000 1.215 330 W CA 0.658 57.877 57.345 -0.210 0.000 1.244 330 W CB -0.473 28.909 29.460 -0.131 0.000 1.140 330 W HN 0.502 nan 8.180 nan 0.000 0.523 331 L N 0.358 121.628 121.223 0.080 0.000 2.607 331 L HA 0.143 4.483 4.340 0.001 0.000 0.228 331 L C 1.209 178.259 176.870 0.299 0.000 1.123 331 L CA -0.102 54.724 54.840 -0.023 0.000 0.890 331 L CB -0.476 41.297 42.059 -0.476 0.000 1.103 331 L HN -0.276 nan 8.230 nan 0.000 0.468 332 S N 1.085 116.972 115.700 0.311 0.000 2.537 332 S HA 0.097 4.567 4.470 0.001 0.000 0.286 332 S C -1.315 173.544 174.600 0.432 0.000 1.299 332 S CA -1.066 57.325 58.200 0.318 0.000 1.067 332 S CB 0.938 64.278 63.200 0.233 0.000 0.864 332 S HN -0.016 nan 8.310 nan 0.000 0.494 333 P HA -0.018 nan 4.420 nan 0.000 0.221 333 P C 0.522 177.865 177.300 0.071 0.000 1.145 333 P CA 1.042 64.224 63.100 0.137 0.000 0.795 333 P CB 0.057 31.728 31.700 -0.049 0.000 0.775 334 A N -2.091 120.779 122.820 0.083 0.000 2.370 334 A HA 0.037 4.358 4.320 0.001 0.000 0.238 334 A C 0.277 177.908 177.584 0.078 0.000 1.289 334 A CA -0.484 51.573 52.037 0.033 0.000 0.885 334 A CB -1.506 17.484 19.000 -0.016 0.000 0.961 334 A HN 0.119 nan 8.150 nan 0.000 0.499 335 Y N 0.898 121.249 120.300 0.086 0.000 2.721 335 Y HA 0.283 4.834 4.550 0.001 0.000 0.329 335 Y C 1.364 177.309 175.900 0.075 0.000 1.211 335 Y CA 0.839 59.013 58.100 0.123 0.000 1.512 335 Y CB 0.106 38.700 38.460 0.223 0.000 1.249 335 Y HN 0.540 nan 8.280 nan 0.000 0.549 336 G N 5.207 113.497 108.800 -0.851 0.000 2.186 336 G HA2 -0.318 3.642 3.960 0.001 0.000 0.266 336 G HA3 -0.318 3.642 3.960 0.001 0.000 0.266 336 G C -0.051 174.653 174.900 -0.328 0.000 0.982 336 G CA 0.604 45.224 45.100 -0.800 0.000 0.670 336 G HN 1.010 nan 8.290 nan 0.000 0.533 337 R N -0.662 119.719 120.500 -0.197 0.000 2.535 337 R HA 0.499 4.839 4.340 0.001 0.000 0.274 337 R C -1.574 174.676 176.300 -0.083 0.000 1.090 337 R CA -1.066 54.966 56.100 -0.113 0.000 0.930 337 R CB 1.170 31.422 30.300 -0.079 0.000 1.223 337 R HN -0.044 nan 8.270 nan 0.000 0.441 338 D N 2.080 122.437 120.400 -0.072 0.000 2.488 338 D HA 0.146 4.786 4.640 0.001 0.000 0.238 338 D C -0.407 175.862 176.300 -0.052 0.000 1.138 338 D CA 0.792 54.756 54.000 -0.060 0.000 0.873 338 D CB 1.291 42.059 40.800 -0.053 0.000 1.183 338 D HN 0.433 nan 8.370 nan 0.000 0.458 339 T N 0.855 115.379 114.554 -0.051 0.000 2.876 339 T HA 0.407 4.757 4.350 0.001 0.000 0.289 339 T C -0.742 173.939 174.700 -0.032 0.000 1.014 339 T CA -0.621 61.452 62.100 -0.046 0.000 0.986 339 T CB 2.222 71.044 68.868 -0.075 0.000 1.021 339 T HN 0.090 nan 8.240 nan 0.000 0.458 340 V N 2.275 122.186 119.914 -0.005 0.000 2.483 340 V HA 0.861 4.981 4.120 0.001 0.000 0.295 340 V C -0.538 175.561 176.094 0.008 0.000 1.035 340 V CA -0.565 61.749 62.300 0.023 0.000 0.896 340 V CB 1.118 32.974 31.823 0.055 0.000 0.986 340 V HN 1.092 nan 8.190 nan 0.000 0.447 341 A N 5.540 128.360 122.820 0.000 0.000 2.330 341 A HA 0.933 5.254 4.320 0.001 0.000 0.327 341 A C -0.214 177.424 177.584 0.089 0.000 1.155 341 A CA -0.158 51.894 52.037 0.024 0.000 0.803 341 A CB 1.538 20.498 19.000 -0.066 0.000 1.208 341 A HN 1.774 nan 8.150 nan 0.000 0.477 342 A N 2.218 125.140 122.820 0.170 0.000 2.323 342 A HA 0.600 4.920 4.320 0.001 0.000 0.305 342 A C -0.649 177.045 177.584 0.183 0.000 1.275 342 A CA -0.380 51.753 52.037 0.159 0.000 0.804 342 A CB 0.026 19.203 19.000 0.296 0.000 1.152 342 A HN 1.113 nan 8.150 nan 0.000 0.487 343 H N 1.467 120.461 119.070 -0.125 0.000 2.463 343 H HA 0.715 5.271 4.556 0.000 0.000 0.332 343 H C -1.614 173.437 175.328 -0.462 0.000 1.127 343 H CA -0.641 55.342 56.048 -0.108 0.000 1.238 343 H CB 0.734 30.451 29.762 -0.074 0.000 1.478 343 H HN 0.447 nan 8.280 nan 0.000 0.499 344 F N 2.846 122.186 119.950 -1.016 0.000 2.499 344 F HA 0.271 4.798 4.527 0.000 0.000 0.333 344 F C -0.130 174.932 175.800 -1.231 0.000 1.138 344 F CA -0.848 56.525 58.000 -1.046 0.000 0.945 344 F CB 2.122 40.259 39.000 -1.439 0.000 1.181 344 F HN 0.455 nan 8.300 nan 0.000 0.435 345 T N 2.860 117.125 114.554 -0.482 0.000 2.738 345 T HA 0.211 4.562 4.350 0.001 0.000 0.298 345 T C -0.510 174.136 174.700 -0.089 0.000 0.962 345 T CA -0.410 61.591 62.100 -0.165 0.000 0.972 345 T CB 0.068 69.031 68.868 0.159 0.000 0.928 345 T HN 0.386 nan 8.240 nan 0.000 0.474 346 W N 2.538 123.899 121.300 0.103 0.000 2.332 346 W HA 0.541 5.201 4.660 0.000 0.000 0.351 346 W C 0.758 177.337 176.519 0.100 0.000 1.195 346 W CA -1.372 56.037 57.345 0.108 0.000 1.334 346 W CB 0.418 29.920 29.460 0.070 0.000 1.206 346 W HN 0.470 nan 8.180 nan 0.000 0.637 347 V N 0.644 120.776 119.914 0.364 0.000 3.484 347 V HA -0.058 4.063 4.120 0.001 0.000 0.304 347 V C 1.301 177.511 176.094 0.194 0.000 1.116 347 V CA 0.054 62.487 62.300 0.221 0.000 1.187 347 V CB 0.849 32.768 31.823 0.159 0.000 1.062 347 V HN 0.803 nan 8.190 nan 0.000 0.489 348 E N 0.581 120.861 120.200 0.133 0.000 2.418 348 E HA -0.138 4.212 4.350 0.001 0.000 0.197 348 E C 0.612 177.255 176.600 0.072 0.000 1.026 348 E CA 0.774 57.240 56.400 0.110 0.000 0.862 348 E CB -0.451 29.292 29.700 0.071 0.000 0.799 348 E HN 0.875 nan 8.360 nan 0.000 0.518 349 D N 1.733 122.164 120.400 0.051 0.000 2.416 349 D HA 0.043 4.684 4.640 0.001 0.000 0.240 349 D C 0.263 176.553 176.300 -0.016 0.000 1.250 349 D CA 0.118 54.127 54.000 0.015 0.000 0.967 349 D CB 0.735 41.541 40.800 0.011 0.000 1.059 349 D HN -0.096 nan 8.370 nan 0.000 0.512 350 T N 2.493 117.039 114.554 -0.013 0.000 2.665 350 T HA -0.216 4.134 4.350 0.001 0.000 0.268 350 T C 1.855 176.516 174.700 -0.066 0.000 1.035 350 T CA 1.788 63.866 62.100 -0.037 0.000 1.151 350 T CB -0.132 68.728 68.868 -0.014 0.000 0.862 350 T HN 0.556 nan 8.240 nan 0.000 0.438 351 A N 1.236 124.027 122.820 -0.047 0.000 1.940 351 A HA 0.106 4.426 4.320 0.001 0.000 0.219 351 A C 2.586 180.128 177.584 -0.070 0.000 1.176 351 A CA 1.924 53.929 52.037 -0.052 0.000 0.631 351 A CB -0.952 18.027 19.000 -0.035 0.000 0.814 351 A HN 0.545 nan 8.150 nan 0.000 0.446 352 A N -1.002 121.776 122.820 -0.071 0.000 1.970 352 A HA 0.178 4.499 4.320 0.001 0.000 0.216 352 A C 2.160 179.652 177.584 -0.154 0.000 1.170 352 A CA 1.443 53.431 52.037 -0.082 0.000 0.645 352 A CB -0.509 18.463 19.000 -0.047 0.000 0.816 352 A HN 0.328 nan 8.150 nan 0.000 0.447 353 V N 0.076 119.865 119.914 -0.207 0.000 2.346 353 V HA -0.158 3.962 4.120 0.001 0.000 0.244 353 V C 2.509 178.340 176.094 -0.439 0.000 1.037 353 V CA 1.500 63.547 62.300 -0.420 0.000 1.029 353 V CB -0.750 30.788 31.823 -0.477 0.000 0.663 353 V HN 0.543 nan 8.190 nan 0.000 0.454 354 L N 0.140 121.202 121.223 -0.268 0.000 2.013 354 L HA -0.165 4.175 4.340 0.001 0.000 0.212 354 L C 0.051 176.810 176.870 -0.185 0.000 1.073 354 L CA 1.966 56.684 54.840 -0.204 0.000 0.753 354 L CB -1.951 40.038 42.059 -0.117 0.000 0.890 354 L HN 0.366 nan 8.230 nan 0.000 0.432 355 P HA -0.129 nan 4.420 nan 0.000 0.216 355 P C 1.910 179.111 177.300 -0.165 0.000 1.150 355 P CA 1.109 64.129 63.100 -0.133 0.000 0.837 355 P CB 0.045 31.681 31.700 -0.105 0.000 0.786 356 V N -0.542 119.228 119.914 -0.240 0.000 2.358 356 V HA -0.179 3.941 4.120 0.001 0.000 0.246 356 V C 2.504 178.416 176.094 -0.303 0.000 1.047 356 V CA 1.547 63.681 62.300 -0.276 0.000 1.035 356 V CB -1.191 30.420 31.823 -0.353 0.000 0.658 356 V HN -0.046 nan 8.190 nan 0.000 0.452 357 V N 0.217 119.898 119.914 -0.388 0.000 2.282 357 V HA -0.324 3.797 4.120 0.001 0.000 0.249 357 V C 2.623 178.653 176.094 -0.107 0.000 1.057 357 V CA 2.280 64.461 62.300 -0.198 0.000 1.032 357 V CB -0.854 30.892 31.823 -0.128 0.000 0.645 357 V HN 0.499 nan 8.190 nan 0.000 0.447 358 R N -0.322 120.114 120.500 -0.106 0.000 2.083 358 R HA -0.220 4.120 4.340 0.001 0.000 0.237 358 R C 2.500 178.739 176.300 -0.101 0.000 1.137 358 R CA 1.865 57.919 56.100 -0.077 0.000 0.951 358 R CB -0.449 29.812 30.300 -0.065 0.000 0.851 358 R HN 0.332 nan 8.270 nan 0.000 0.434 359 R N 1.242 121.672 120.500 -0.117 0.000 2.081 359 R HA -0.129 4.212 4.340 0.001 0.000 0.235 359 R C 2.124 178.338 176.300 -0.143 0.000 1.131 359 R CA 1.207 57.237 56.100 -0.116 0.000 0.960 359 R CB -0.743 29.492 30.300 -0.108 0.000 0.856 359 R HN 0.169 nan 8.270 nan 0.000 0.436 360 L N 1.150 122.267 121.223 -0.177 0.000 2.012 360 L HA -0.135 4.205 4.340 0.001 0.000 0.210 360 L C 1.671 178.360 176.870 -0.301 0.000 1.073 360 L CA 2.019 56.712 54.840 -0.244 0.000 0.748 360 L CB -0.625 41.254 42.059 -0.301 0.000 0.891 360 L HN 0.326 nan 8.230 nan 0.000 0.431 361 E N -0.541 119.479 120.200 -0.300 0.000 2.118 361 E HA -0.257 4.094 4.350 0.001 0.000 0.195 361 E C 2.012 178.499 176.600 -0.187 0.000 0.992 361 E CA 1.518 57.744 56.400 -0.291 0.000 0.804 361 E CB -0.151 29.458 29.700 -0.153 0.000 0.741 361 E HN 0.646 nan 8.360 nan 0.000 0.458 362 E N 0.567 120.680 120.200 -0.145 0.000 2.077 362 E HA -0.189 4.161 4.350 0.001 0.000 0.193 362 E C 2.074 178.592 176.600 -0.136 0.000 0.989 362 E CA 0.989 57.315 56.400 -0.123 0.000 0.800 362 E CB -0.128 29.512 29.700 -0.100 0.000 0.746 362 E HN 0.243 nan 8.360 nan 0.000 0.452 363 A N 0.782 123.526 122.820 -0.128 0.000 2.015 363 A HA -0.094 4.226 4.320 0.001 0.000 0.219 363 A C 1.996 179.552 177.584 -0.047 0.000 1.163 363 A CA 0.928 52.913 52.037 -0.087 0.000 0.646 363 A CB -0.256 18.699 19.000 -0.075 0.000 0.806 363 A HN 0.144 nan 8.150 nan 0.000 0.448 364 L N 0.153 121.329 121.223 -0.080 0.000 2.607 364 L HA 0.012 4.352 4.340 0.001 0.000 0.228 364 L C 2.238 179.025 176.870 -0.138 0.000 1.123 364 L CA 0.460 55.323 54.840 0.037 0.000 0.890 364 L CB -0.097 41.952 42.059 -0.017 0.000 1.103 364 L HN 0.363 nan 8.230 nan 0.000 0.468 365 V N -1.855 117.923 119.914 -0.227 0.000 2.380 365 V HA -0.133 3.988 4.120 0.001 0.000 0.251 365 V C -0.265 175.618 176.094 -0.351 0.000 1.063 365 V CA 1.132 63.294 62.300 -0.231 0.000 1.055 365 V CB -2.245 29.472 31.823 -0.176 0.000 0.657 365 V HN 0.344 nan 8.190 nan 0.000 0.455 366 P HA 0.078 nan 4.420 nan 0.000 0.237 366 P C 0.809 177.634 177.300 -0.791 0.000 1.178 366 P CA 0.877 63.542 63.100 -0.725 0.000 0.766 366 P CB -0.265 30.874 31.700 -0.935 0.000 0.876 367 F N -0.913 118.876 119.950 -0.268 0.000 2.641 367 F HA 0.548 5.076 4.527 0.000 0.000 0.302 367 F C 1.270 176.999 175.800 -0.119 0.000 1.098 367 F CA -0.824 56.954 58.000 -0.370 0.000 1.318 367 F CB -0.936 37.897 39.000 -0.279 0.000 1.035 367 F HN -0.162 nan 8.300 nan 0.000 0.551 368 A N 0.456 123.275 122.820 -0.003 0.000 2.791 368 A HA -0.022 4.299 4.320 0.001 0.000 0.292 368 A C 0.815 178.411 177.584 0.020 0.000 1.487 368 A CA 0.403 52.446 52.037 0.010 0.000 0.760 368 A CB -2.051 16.977 19.000 0.046 0.000 1.031 368 A HN 0.724 nan 8.150 nan 0.000 0.503 369 A N 0.243 123.089 122.820 0.043 0.000 2.451 369 A HA 0.556 4.876 4.320 0.001 0.000 0.266 369 A C 0.655 178.266 177.584 0.044 0.000 1.119 369 A CA 0.097 52.191 52.037 0.094 0.000 0.786 369 A CB 0.049 19.132 19.000 0.138 0.000 1.061 369 A HN 0.650 nan 8.150 nan 0.000 0.503 370 R N 3.816 124.302 120.500 -0.024 0.000 2.265 370 R HA 0.409 4.749 4.340 0.001 0.000 0.319 370 R C -2.609 173.597 176.300 -0.156 0.000 1.006 370 R CA -1.711 54.292 56.100 -0.162 0.000 0.880 370 R CB 1.419 31.537 30.300 -0.303 0.000 1.077 370 R HN 0.530 nan 8.270 nan 0.000 0.454 371 P HA -0.031 nan 4.420 nan 0.000 0.278 371 P C -0.938 176.056 177.300 -0.509 0.000 1.238 371 P CA -0.216 62.589 63.100 -0.493 0.000 0.794 371 P CB 0.732 32.011 31.700 -0.700 0.000 0.955 372 H N 2.112 120.990 119.070 -0.321 0.000 2.929 372 H HA 0.001 4.557 4.556 0.000 0.000 0.317 372 H C 0.615 175.974 175.328 0.051 0.000 1.031 372 H CA 0.440 56.431 56.048 -0.093 0.000 1.466 372 H CB 0.167 29.977 29.762 0.080 0.000 1.482 372 H HN 0.504 nan 8.280 nan 0.000 0.561 373 W N 2.795 124.271 121.300 0.293 0.000 2.421 373 W HA -0.054 4.607 4.660 0.001 0.000 0.270 373 W C 2.241 179.111 176.519 0.585 0.000 1.233 373 W CA 0.710 58.318 57.345 0.438 0.000 1.226 373 W CB 0.228 29.833 29.460 0.241 0.000 1.121 373 W HN 0.747 nan 8.180 nan 0.000 0.579 374 G N -0.350 108.987 108.800 0.894 0.000 3.042 374 G HA2 0.086 4.047 3.960 0.001 0.000 0.212 374 G HA3 0.086 4.047 3.960 0.001 0.000 0.212 374 G C 0.449 175.655 174.900 0.510 0.000 1.166 374 G CA -0.206 45.239 45.100 0.575 0.000 0.767 374 G HN 0.057 nan 8.290 nan 0.000 0.546 375 K N -0.538 120.173 120.400 0.518 0.000 2.280 375 K HA 0.561 4.881 4.320 0.001 0.000 0.234 375 K C -0.646 176.214 176.600 0.432 0.000 1.028 375 K CA -0.946 55.571 56.287 0.383 0.000 0.882 375 K CB 2.293 34.864 32.500 0.118 0.000 1.194 375 K HN -0.149 nan 8.250 nan 0.000 0.458 376 V N 2.619 122.710 119.914 0.296 0.000 2.572 376 V HA 0.192 4.313 4.120 0.001 0.000 0.291 376 V C -0.453 175.838 176.094 0.328 0.000 1.039 376 V CA 0.348 62.787 62.300 0.231 0.000 1.055 376 V CB -0.851 31.097 31.823 0.208 0.000 0.969 376 V HN 0.647 nan 8.190 nan 0.000 0.482 377 F N 1.478 121.552 119.950 0.207 0.000 2.693 377 F HA 0.652 5.179 4.527 0.001 0.000 0.309 377 F C 0.140 176.042 175.800 0.170 0.000 1.129 377 F CA -0.487 57.639 58.000 0.211 0.000 0.948 377 F CB 1.762 40.870 39.000 0.180 0.000 1.315 377 F HN 0.304 nan 8.300 nan 0.000 0.447 378 T N -1.710 113.056 114.554 0.354 0.000 3.111 378 T HA 0.299 4.649 4.350 0.001 0.000 0.284 378 T C -0.158 174.688 174.700 0.242 0.000 0.983 378 T CA -0.048 62.164 62.100 0.187 0.000 0.900 378 T CB -0.416 68.501 68.868 0.082 0.000 1.132 378 T HN 0.530 nan 8.240 nan 0.000 0.531 379 V N 4.145 124.289 119.914 0.383 0.000 2.557 379 V HA 0.181 4.301 4.120 0.001 0.000 0.301 379 V C -1.939 174.287 176.094 0.221 0.000 1.026 379 V CA -1.036 61.412 62.300 0.248 0.000 1.137 379 V CB -0.109 31.832 31.823 0.197 0.000 0.917 379 V HN 0.375 nan 8.190 nan 0.000 0.484 380 P HA 0.185 nan 4.420 nan 0.000 0.272 380 P C 0.642 178.010 177.300 0.113 0.000 1.223 380 P CA 0.004 63.168 63.100 0.105 0.000 0.784 380 P CB 0.765 32.503 31.700 0.064 0.000 0.923 381 A N 3.067 125.949 122.820 0.104 0.000 1.892 381 A HA -0.152 4.168 4.320 0.001 0.000 0.218 381 A C 2.307 179.947 177.584 0.094 0.000 1.188 381 A CA 2.344 54.444 52.037 0.105 0.000 0.631 381 A CB -1.884 17.161 19.000 0.074 0.000 0.822 381 A HN 0.648 nan 8.150 nan 0.000 0.447 382 G N -0.816 108.026 108.800 0.070 0.000 2.418 382 G HA2 -0.230 3.730 3.960 0.001 0.000 0.217 382 G HA3 -0.230 3.730 3.960 0.001 0.000 0.217 382 G C 1.458 176.396 174.900 0.063 0.000 1.158 382 G CA 1.022 46.158 45.100 0.060 0.000 0.771 382 G HN 0.656 nan 8.290 nan 0.000 0.545 383 E N -0.532 119.703 120.200 0.058 0.000 2.051 383 E HA -0.113 4.237 4.350 0.001 0.000 0.192 383 E C 2.445 179.086 176.600 0.069 0.000 0.991 383 E CA 0.670 57.099 56.400 0.049 0.000 0.799 383 E CB -0.179 29.544 29.700 0.038 0.000 0.748 383 E HN 0.277 nan 8.360 nan 0.000 0.449 384 L N 1.420 122.702 121.223 0.099 0.000 1.989 384 L HA -0.204 4.136 4.340 0.001 0.000 0.211 384 L C 2.177 179.187 176.870 0.233 0.000 1.071 384 L CA 1.751 56.675 54.840 0.141 0.000 0.749 384 L CB -0.428 41.725 42.059 0.157 0.000 0.890 384 L HN -0.000 nan 8.230 nan 0.000 0.431 385 R N -0.888 119.727 120.500 0.192 0.000 2.105 385 R HA -0.160 4.180 4.340 0.001 0.000 0.239 385 R C 2.095 178.499 176.300 0.174 0.000 1.135 385 R CA 1.332 57.548 56.100 0.194 0.000 0.967 385 R CB -0.675 29.700 30.300 0.126 0.000 0.861 385 R HN 0.485 nan 8.270 nan 0.000 0.442 386 A N 0.943 123.831 122.820 0.113 0.000 2.070 386 A HA -0.083 4.237 4.320 0.001 0.000 0.220 386 A C 2.019 179.633 177.584 0.049 0.000 1.159 386 A CA 0.998 53.077 52.037 0.070 0.000 0.656 386 A CB -0.317 18.707 19.000 0.039 0.000 0.800 386 A HN 0.193 nan 8.150 nan 0.000 0.453 387 L N -2.104 119.144 121.223 0.041 0.000 2.478 387 L HA 0.026 4.366 4.340 0.001 0.000 0.223 387 L C -0.176 176.546 176.870 -0.248 0.000 1.140 387 L CA 0.297 55.065 54.840 -0.119 0.000 0.842 387 L CB -0.078 41.845 42.059 -0.226 0.000 0.953 387 L HN 0.388 nan 8.230 nan 0.000 0.452 388 Y N -0.860 119.470 120.300 0.050 0.000 2.464 388 Y HA 0.272 4.823 4.550 0.001 0.000 0.326 388 Y C -1.538 174.355 175.900 -0.012 0.000 0.969 388 Y CA -2.215 55.910 58.100 0.042 0.000 1.270 388 Y CB 0.770 39.275 38.460 0.075 0.000 1.103 388 Y HN -0.126 nan 8.280 nan 0.000 0.491 389 P HA -0.154 nan 4.420 nan 0.000 0.217 389 P C 0.786 178.037 177.300 -0.082 0.000 1.148 389 P CA 1.579 64.695 63.100 0.026 0.000 0.828 389 P CB 0.334 32.098 31.700 0.106 0.000 0.783 390 R N -1.491 118.883 120.500 -0.210 0.000 2.468 390 R HA 0.247 4.587 4.340 0.001 0.000 0.280 390 R C 1.812 177.998 176.300 -0.190 0.000 0.963 390 R CA -0.255 55.621 56.100 -0.374 0.000 1.083 390 R CB -0.484 29.349 30.300 -0.779 0.000 1.200 390 R HN 0.228 nan 8.270 nan 0.000 0.541 391 L N 1.066 122.282 121.223 -0.011 0.000 2.042 391 L HA -0.187 4.154 4.340 0.001 0.000 0.210 391 L C 2.360 179.276 176.870 0.076 0.000 1.076 391 L CA 1.736 56.620 54.840 0.073 0.000 0.749 391 L CB -0.246 41.881 42.059 0.113 0.000 0.893 391 L HN 0.202 nan 8.230 nan 0.000 0.432 392 A N -0.260 122.563 122.820 0.004 0.000 1.917 392 A HA -0.293 4.027 4.320 0.001 0.000 0.219 392 A C 1.921 179.469 177.584 -0.060 0.000 1.182 392 A CA 2.229 54.253 52.037 -0.021 0.000 0.633 392 A CB -0.827 18.145 19.000 -0.046 0.000 0.819 392 A HN 0.584 nan 8.150 nan 0.000 0.448 393 D N -1.358 118.931 120.400 -0.186 0.000 2.144 393 D HA -0.112 4.528 4.640 0.001 0.000 0.200 393 D C 1.634 177.909 176.300 -0.042 0.000 0.978 393 D CA 1.157 54.963 54.000 -0.323 0.000 0.833 393 D CB -0.471 39.775 40.800 -0.925 0.000 0.961 393 D HN 0.503 nan 8.370 nan 0.000 0.470 394 F N 2.029 122.009 119.950 0.051 0.000 2.134 394 F HA -0.069 4.458 4.527 0.000 0.000 0.299 394 F C 2.307 178.168 175.800 0.102 0.000 1.097 394 F CA 1.861 60.017 58.000 0.261 0.000 1.264 394 F CB -0.506 38.615 39.000 0.201 0.000 1.001 394 F HN -0.039 nan 8.300 nan 0.000 0.479 395 G N -0.173 108.669 108.800 0.070 0.000 2.476 395 G HA2 -0.311 3.650 3.960 0.001 0.000 0.218 395 G HA3 -0.311 3.650 3.960 0.001 0.000 0.218 395 G C 1.822 176.663 174.900 -0.100 0.000 1.164 395 G CA 1.000 46.087 45.100 -0.022 0.000 0.768 395 G HN 0.622 nan 8.290 nan 0.000 0.560 396 A N 0.215 122.995 122.820 -0.068 0.000 1.930 396 A HA 0.098 4.419 4.320 0.001 0.000 0.217 396 A C 2.356 179.894 177.584 -0.077 0.000 1.175 396 A CA 1.695 53.697 52.037 -0.058 0.000 0.627 396 A CB -0.402 18.576 19.000 -0.038 0.000 0.815 396 A HN 0.470 nan 8.150 nan 0.000 0.443 397 L N -0.173 120.991 121.223 -0.099 0.000 2.046 397 L HA -0.037 4.303 4.340 0.001 0.000 0.208 397 L C 2.640 179.374 176.870 -0.227 0.000 1.077 397 L CA 2.205 56.976 54.840 -0.116 0.000 0.747 397 L CB -0.861 41.163 42.059 -0.058 0.000 0.896 397 L HN 0.329 nan 8.230 nan 0.000 0.432 398 A N -0.444 122.130 122.820 -0.409 0.000 1.908 398 A HA -0.101 4.219 4.320 0.001 0.000 0.218 398 A C 2.340 179.845 177.584 -0.131 0.000 1.181 398 A CA 1.642 53.489 52.037 -0.316 0.000 0.627 398 A CB -1.633 17.145 19.000 -0.369 0.000 0.818 398 A HN 0.539 nan 8.150 nan 0.000 0.445 399 G N -0.845 107.893 108.800 -0.104 0.000 2.432 399 G HA2 0.055 4.015 3.960 0.001 0.000 0.219 399 G HA3 0.055 4.015 3.960 0.001 0.000 0.219 399 G C 1.654 176.534 174.900 -0.033 0.000 1.135 399 G CA 1.370 46.441 45.100 -0.047 0.000 0.767 399 G HN 0.777 nan 8.290 nan 0.000 0.550 400 A N 0.371 123.165 122.820 -0.044 0.000 1.872 400 A HA 0.249 4.569 4.320 0.001 0.000 0.214 400 A C 2.340 179.913 177.584 -0.018 0.000 1.187 400 A CA 0.907 52.929 52.037 -0.024 0.000 0.614 400 A CB -0.307 18.681 19.000 -0.019 0.000 0.826 400 A HN 0.319 nan 8.150 nan 0.000 0.442 401 L N -1.187 120.016 121.223 -0.034 0.000 2.341 401 L HA 0.041 4.382 4.340 0.001 0.000 0.214 401 L C 0.400 177.282 176.870 0.021 0.000 1.115 401 L CA 0.837 55.666 54.840 -0.018 0.000 0.820 401 L CB 0.144 42.172 42.059 -0.050 0.000 0.944 401 L HN 0.332 nan 8.230 nan 0.000 0.452 402 D N -0.885 119.531 120.400 0.026 0.000 2.735 402 D HA 0.128 4.768 4.640 0.001 0.000 0.291 402 D C -1.749 174.575 176.300 0.040 0.000 1.205 402 D CA -1.531 52.517 54.000 0.079 0.000 0.777 402 D CB 0.821 41.721 40.800 0.166 0.000 1.234 402 D HN -0.121 nan 8.370 nan 0.000 0.520 403 P HA -0.018 nan 4.420 nan 0.000 0.223 403 P C 0.952 178.257 177.300 0.008 0.000 1.151 403 P CA 0.494 63.599 63.100 0.009 0.000 0.787 403 P CB 0.331 32.035 31.700 0.006 0.000 0.788 404 A N -0.424 122.400 122.820 0.007 0.000 2.275 404 A HA 0.459 4.780 4.320 0.001 0.000 0.212 404 A C 1.552 179.132 177.584 -0.007 0.000 1.201 404 A CA 0.551 52.585 52.037 -0.004 0.000 0.843 404 A CB -1.188 17.803 19.000 -0.016 0.000 0.873 404 A HN 0.233 nan 8.150 nan 0.000 0.492 405 G N 0.446 109.253 108.800 0.011 0.000 2.246 405 G HA2 -0.350 3.610 3.960 0.001 0.000 0.273 405 G HA3 -0.350 3.610 3.960 0.001 0.000 0.273 405 G C 0.820 175.705 174.900 -0.025 0.000 1.055 405 G CA 0.924 46.036 45.100 0.020 0.000 0.851 405 G HN 0.653 nan 8.290 nan 0.000 0.500 406 K N -0.830 119.517 120.400 -0.089 0.000 2.074 406 K HA -0.023 4.298 4.320 0.001 0.000 0.209 406 K C 1.469 177.812 176.600 -0.428 0.000 1.048 406 K CA 1.728 57.829 56.287 -0.311 0.000 0.926 406 K CB -0.175 32.031 32.500 -0.490 0.000 0.713 406 K HN 0.434 nan 8.250 nan 0.000 0.444 407 F N 0.607 120.558 119.950 0.002 0.000 2.645 407 F HA 0.165 4.692 4.527 0.001 0.000 0.300 407 F C 0.156 175.971 175.800 0.026 0.000 1.115 407 F CA -0.082 57.922 58.000 0.007 0.000 1.355 407 F CB 0.586 39.587 39.000 0.003 0.000 1.026 407 F HN -0.234 nan 8.300 nan 0.000 0.536 408 T N 2.051 116.679 114.554 0.124 0.000 2.767 408 T HA 0.297 4.647 4.350 0.001 0.000 0.284 408 T C 0.076 174.827 174.700 0.085 0.000 0.973 408 T CA -0.651 61.517 62.100 0.114 0.000 0.996 408 T CB 0.828 69.750 68.868 0.089 0.000 0.927 408 T HN 0.179 nan 8.240 nan 0.000 0.456 409 N N 1.818 120.588 118.700 0.117 0.000 2.906 409 N HA 0.572 5.312 4.740 0.001 0.000 0.327 409 N C 1.361 176.952 175.510 0.136 0.000 1.344 409 N CA -0.661 52.455 53.050 0.110 0.000 0.823 409 N CB -0.005 38.553 38.487 0.118 0.000 1.351 409 N HN 0.395 nan 8.380 nan 0.000 0.604 410 A N -0.279 122.623 122.820 0.137 0.000 1.908 410 A HA -0.115 4.206 4.320 0.001 0.000 0.218 410 A C 1.942 179.629 177.584 0.171 0.000 1.181 410 A CA 1.292 53.408 52.037 0.132 0.000 0.627 410 A CB -1.239 17.832 19.000 0.119 0.000 0.818 410 A HN 0.600 nan 8.150 nan 0.000 0.445 411 F N 0.612 120.612 119.950 0.084 0.000 2.069 411 F HA -0.192 4.335 4.527 0.001 0.000 0.298 411 F C 2.289 178.152 175.800 0.106 0.000 1.113 411 F CA 2.292 60.358 58.000 0.109 0.000 1.214 411 F CB -0.246 38.828 39.000 0.122 0.000 0.978 411 F HN 0.040 nan 8.300 nan 0.000 0.474 412 V N 0.841 120.962 119.914 0.345 0.000 2.358 412 V HA -0.270 3.851 4.120 0.001 0.000 0.246 412 V C 2.503 178.648 176.094 0.085 0.000 1.047 412 V CA 2.172 64.587 62.300 0.191 0.000 1.035 412 V CB -0.826 31.119 31.823 0.204 0.000 0.658 412 V HN 0.322 nan 8.190 nan 0.000 0.452 413 R N 0.367 120.922 120.500 0.091 0.000 2.091 413 R HA -0.150 4.190 4.340 0.001 0.000 0.238 413 R C 2.363 178.685 176.300 0.037 0.000 1.136 413 R CA 1.851 57.988 56.100 0.062 0.000 0.959 413 R CB -0.773 29.563 30.300 0.061 0.000 0.856 413 R HN 0.534 nan 8.270 nan 0.000 0.437 414 G N 0.019 108.830 108.800 0.018 0.000 2.418 414 G HA2 -0.224 3.736 3.960 0.001 0.000 0.217 414 G HA3 -0.224 3.736 3.960 0.001 0.000 0.217 414 G C 1.415 176.313 174.900 -0.002 0.000 1.158 414 G CA 0.935 46.035 45.100 -0.001 0.000 0.771 414 G HN 0.229 nan 8.290 nan 0.000 0.545 415 V N 1.043 120.931 119.914 -0.044 0.000 2.255 415 V HA -0.167 3.954 4.120 0.001 0.000 0.247 415 V C 2.919 179.036 176.094 0.039 0.000 1.051 415 V CA 1.867 64.166 62.300 -0.001 0.000 1.018 415 V CB -0.500 31.272 31.823 -0.086 0.000 0.641 415 V HN 0.358 nan 8.190 nan 0.000 0.445 416 L N -0.437 120.808 121.223 0.038 0.000 2.131 416 L HA 0.008 4.349 4.340 0.001 0.000 0.206 416 L C 2.560 179.462 176.870 0.053 0.000 1.087 416 L CA 1.374 56.251 54.840 0.061 0.000 0.767 416 L CB -0.725 41.382 42.059 0.081 0.000 0.917 416 L HN 0.332 nan 8.230 nan 0.000 0.441 417 A N -0.490 122.356 122.820 0.044 0.000 1.871 417 A HA 0.448 4.768 4.320 0.001 0.000 0.211 417 A C 1.167 178.772 177.584 0.036 0.000 1.207 417 A CA 1.116 53.175 52.037 0.037 0.000 0.620 417 A CB -0.304 18.716 19.000 0.033 0.000 0.860 417 A HN 0.384 nan 8.150 nan 0.000 0.450 418 G N 0.000 108.822 108.800 0.037 0.000 5.446 418 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 418 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 418 G CA 0.000 45.120 45.100 0.033 0.000 0.502 418 G HN 0.000 nan 8.290 nan 0.000 0.925