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 1ud8_1_A DATA FIRST_RESID 1 DATA SEQUENCE DGLNGTMMQY YEWHLENDGQ HWNRLHDDAA ALSDAGITAI WIPPAYKGNS DATA SEQUENCE QADVGYGAYD LYDLGEFNQK GTVRTKYGTK AQLERAIGSL KSNDINVYGD DATA SEQUENCE VVMNHKMGAD FTEAVQAVQV NPTNRWQDIS GAYTIDAWTG FDFSGRNNAY DATA SEQUENCE SDFKWRWFHF NGVDWDQRYQ ENHIFRFANT NWNWRVDEEN GNYDYLLGSN DATA SEQUENCE IDFSHPEVQD ELKDWGSWFT DELDLDGYRL DAIKHIPFWY TSDWVRHQRN DATA SEQUENCE EADQDLFVVG EYWKDDVGAL EFYLDEMNWE MSLFDVPLNY NFYRASQQGG DATA SEQUENCE SYDMRNILRG SLVEAHPMHA VTFVDNHDTQ PGESLESWVA DWFKPLAYAT DATA SEQUENCE ILTREGGYPN VFYGDYYGIP NDNISAKKDM IDELLDARQN YAYGTQHDYF DATA SEQUENCE DHWDVVGWTR EGSSSRPNSG LATIMSNGPG GSKWMYVGRQ NAGQTWTDLT DATA SEQUENCE GNNGASVTIN GDGWGEFFTN GGSVSVYVNQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.297 176.300 -0.005 0.000 2.045 1 D CA 0.000 53.988 54.000 -0.019 0.000 0.868 1 D CB 0.000 40.780 40.800 -0.033 0.000 0.688 2 G N 0.621 109.428 108.800 0.011 0.000 2.216 2 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.269 2 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.269 2 G C 0.473 175.457 174.900 0.139 0.000 0.981 2 G CA 0.772 45.905 45.100 0.055 0.000 0.658 2 G HN 0.457 nan 8.290 nan 0.000 0.539 3 L N 1.386 122.665 121.223 0.092 0.000 2.455 3 L HA 0.346 4.686 4.340 -0.000 0.000 0.272 3 L C 0.549 177.482 176.870 0.105 0.000 1.174 3 L CA -0.452 54.475 54.840 0.145 0.000 0.869 3 L CB -0.106 41.987 42.059 0.058 0.000 1.130 3 L HN 0.319 nan 8.230 nan 0.000 0.474 4 N N 2.978 121.749 118.700 0.118 0.000 2.454 4 N HA 0.271 5.011 4.740 -0.000 0.000 0.254 4 N C -0.027 175.468 175.510 -0.025 0.000 1.228 4 N CA 0.295 53.315 53.050 -0.049 0.000 0.900 4 N CB 0.452 38.836 38.487 -0.172 0.000 1.089 4 N HN 0.874 nan 8.380 nan 0.000 0.449 5 G N 0.411 109.161 108.800 -0.084 0.000 2.367 5 G HA2 0.438 4.397 3.960 -0.000 0.000 0.314 5 G HA3 0.438 4.397 3.960 -0.000 0.000 0.314 5 G C -0.781 174.223 174.900 0.173 0.000 1.130 5 G CA -0.262 44.814 45.100 -0.039 0.000 0.864 5 G HN 0.386 nan 8.290 nan 0.000 0.486 6 T N 2.596 117.304 114.554 0.256 0.000 3.011 6 T HA 0.405 4.755 4.350 -0.000 0.000 0.303 6 T C -0.234 174.588 174.700 0.203 0.000 0.997 6 T CA -0.468 61.790 62.100 0.263 0.000 1.007 6 T CB 1.530 70.485 68.868 0.144 0.000 1.017 6 T HN 0.564 nan 8.240 nan 0.000 0.443 7 M N 4.335 124.011 119.600 0.127 0.000 2.409 7 M HA 0.711 5.191 4.480 -0.000 0.000 0.329 7 M C -1.216 175.159 176.300 0.127 0.000 1.180 7 M CA -0.841 54.475 55.300 0.028 0.000 1.053 7 M CB 1.575 34.058 32.600 -0.195 0.000 1.586 7 M HN 0.728 nan 8.290 nan 0.000 0.461 8 M N 3.912 123.600 119.600 0.146 0.000 2.263 8 M HA 0.283 4.763 4.480 -0.000 0.000 0.295 8 M C -1.277 175.176 176.300 0.255 0.000 1.028 8 M CA -0.496 54.915 55.300 0.186 0.000 0.921 8 M CB 2.111 34.769 32.600 0.097 0.000 1.601 8 M HN 0.773 nan 8.290 nan 0.000 0.440 9 Q N 3.500 123.418 119.800 0.198 0.000 2.369 9 Q HA 0.071 4.410 4.340 -0.000 0.000 0.247 9 Q C -1.590 174.390 176.000 -0.032 0.000 1.083 9 Q CA -0.126 55.568 55.803 -0.181 0.000 0.905 9 Q CB 0.459 28.845 28.738 -0.587 0.000 1.305 9 Q HN 0.767 nan 8.270 nan 0.000 0.465 10 Y N 6.985 127.277 120.300 -0.014 0.000 2.851 10 Y HA 0.134 4.683 4.550 -0.000 0.000 0.369 10 Y C -1.493 174.467 175.900 0.099 0.000 1.226 10 Y CA -0.093 58.109 58.100 0.170 0.000 1.949 10 Y CB -0.438 38.126 38.460 0.173 0.000 2.059 10 Y HN 0.553 nan 8.280 nan 0.000 0.420 11 Y N -0.479 119.514 120.300 -0.511 0.000 2.786 11 Y HA 0.454 5.004 4.550 -0.000 0.000 0.365 11 Y C -1.813 173.832 175.900 -0.425 0.000 1.171 11 Y CA -1.894 55.725 58.100 -0.802 0.000 1.214 11 Y CB 0.405 38.496 38.460 -0.616 0.000 1.411 11 Y HN 0.197 nan 8.280 nan 0.000 0.485 12 E N 2.083 122.099 120.200 -0.307 0.000 2.416 12 E HA 0.266 4.616 4.350 -0.000 0.000 0.273 12 E C -0.308 176.384 176.600 0.154 0.000 0.935 12 E CA -1.060 55.361 56.400 0.035 0.000 0.784 12 E CB 1.473 31.208 29.700 0.058 0.000 1.301 12 E HN 0.822 nan 8.360 nan 0.000 0.454 13 W N 1.339 122.690 121.300 0.085 0.000 2.338 13 W HA -0.138 4.521 4.660 -0.000 0.000 0.304 13 W C 0.296 176.654 176.519 -0.269 0.000 1.212 13 W CA 1.458 58.762 57.345 -0.068 0.000 1.264 13 W CB 0.084 29.440 29.460 -0.173 0.000 1.142 13 W HN 0.666 nan 8.180 nan 0.000 0.512 14 H N 0.549 119.714 119.070 0.158 0.000 2.660 14 H HA 0.203 4.759 4.556 -0.000 0.000 0.310 14 H C 0.756 176.041 175.328 -0.072 0.000 1.080 14 H CA 0.086 56.149 56.048 0.025 0.000 1.145 14 H CB -0.677 29.135 29.762 0.082 0.000 1.432 14 H HN -0.007 nan 8.280 nan 0.000 0.542 15 L N 1.138 122.299 121.223 -0.103 0.000 2.482 15 L HA -0.029 4.310 4.340 -0.000 0.000 0.273 15 L C 0.991 177.752 176.870 -0.181 0.000 1.228 15 L CA 0.148 54.877 54.840 -0.185 0.000 0.827 15 L CB 0.631 42.457 42.059 -0.388 0.000 1.099 15 L HN 0.149 nan 8.230 nan 0.000 0.494 16 E N 1.534 121.637 120.200 -0.161 0.000 2.373 16 E HA -0.033 4.317 4.350 -0.000 0.000 0.267 16 E C -0.284 176.189 176.600 -0.212 0.000 1.032 16 E CA -0.045 56.269 56.400 -0.142 0.000 0.889 16 E CB 0.577 30.221 29.700 -0.093 0.000 0.984 16 E HN 0.298 nan 8.360 nan 0.000 0.425 17 N N 2.532 121.111 118.700 -0.203 0.000 3.250 17 N HA -0.045 4.694 4.740 -0.000 0.000 0.307 17 N C -0.283 175.118 175.510 -0.181 0.000 1.355 17 N CA -0.128 52.773 53.050 -0.248 0.000 1.192 17 N CB -0.012 38.336 38.487 -0.232 0.000 1.478 17 N HN 0.248 nan 8.380 nan 0.000 0.543 18 D N -0.864 119.442 120.400 -0.156 0.000 2.369 18 D HA 0.151 4.791 4.640 -0.000 0.000 0.211 18 D C 1.195 177.437 176.300 -0.096 0.000 1.077 18 D CA 0.082 54.021 54.000 -0.102 0.000 0.842 18 D CB -0.574 40.186 40.800 -0.067 0.000 0.947 18 D HN 0.224 nan 8.370 nan 0.000 0.509 19 G N 0.801 109.512 108.800 -0.149 0.000 2.233 19 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.270 19 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.270 19 G C 0.872 175.736 174.900 -0.060 0.000 1.011 19 G CA 0.436 45.456 45.100 -0.134 0.000 0.762 19 G HN 0.361 nan 8.290 nan 0.000 0.511 20 Q N -1.271 118.509 119.800 -0.033 0.000 2.247 20 Q HA 0.155 4.495 4.340 -0.000 0.000 0.211 20 Q C 1.656 177.715 176.000 0.097 0.000 0.861 20 Q CA 0.349 56.172 55.803 0.034 0.000 0.949 20 Q CB 0.117 28.873 28.738 0.030 0.000 1.115 20 Q HN 0.747 nan 8.270 nan 0.000 0.507 21 H N -0.474 118.550 119.070 -0.077 0.000 2.387 21 H HA -0.129 4.427 4.556 -0.000 0.000 0.299 21 H C 1.340 176.746 175.328 0.129 0.000 1.090 21 H CA 1.772 57.798 56.048 -0.037 0.000 1.332 21 H CB -0.050 29.617 29.762 -0.158 0.000 1.386 21 H HN 0.278 nan 8.280 nan 0.000 0.516 22 W N 0.291 121.666 121.300 0.125 0.000 2.363 22 W HA -0.156 4.504 4.660 -0.000 0.000 0.296 22 W C 2.114 178.642 176.519 0.015 0.000 1.212 22 W CA 0.281 57.642 57.345 0.028 0.000 1.260 22 W CB -0.014 29.474 29.460 0.046 0.000 1.131 22 W HN 0.191 nan 8.180 nan 0.000 0.530 23 N N 0.327 119.181 118.700 0.257 0.000 2.188 23 N HA -0.094 4.645 4.740 -0.000 0.000 0.184 23 N C 1.590 177.199 175.510 0.166 0.000 1.018 23 N CA 1.090 54.238 53.050 0.162 0.000 0.858 23 N CB -0.523 38.020 38.487 0.094 0.000 0.989 23 N HN 0.231 nan 8.380 nan 0.000 0.426 24 R N 0.352 120.943 120.500 0.152 0.000 2.091 24 R HA -0.088 4.252 4.340 -0.000 0.000 0.238 24 R C 2.039 178.429 176.300 0.150 0.000 1.136 24 R CA 0.803 56.999 56.100 0.159 0.000 0.959 24 R CB -0.438 29.981 30.300 0.199 0.000 0.856 24 R HN 0.115 nan 8.270 nan 0.000 0.437 25 L N 0.558 121.833 121.223 0.087 0.000 2.046 25 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 25 L C 2.376 179.196 176.870 -0.083 0.000 1.077 25 L CA 1.923 56.657 54.840 -0.178 0.000 0.747 25 L CB -0.808 41.153 42.059 -0.163 0.000 0.896 25 L HN 0.284 nan 8.230 nan 0.000 0.432 26 H N -0.854 118.189 119.070 -0.045 0.000 2.456 26 H HA -0.126 4.430 4.556 -0.000 0.000 0.296 26 H C 1.098 176.408 175.328 -0.030 0.000 1.079 26 H CA 1.844 57.866 56.048 -0.043 0.000 1.322 26 H CB 0.196 29.951 29.762 -0.011 0.000 1.388 26 H HN 0.456 nan 8.280 nan 0.000 0.538 27 D N -0.233 120.217 120.400 0.084 0.000 2.277 27 D HA -0.067 4.573 4.640 -0.000 0.000 0.209 27 D C 1.536 177.832 176.300 -0.006 0.000 0.970 27 D CA 0.492 54.518 54.000 0.044 0.000 0.874 27 D CB -0.359 40.514 40.800 0.123 0.000 0.982 27 D HN 0.360 nan 8.370 nan 0.000 0.504 28 D N 0.512 120.921 120.400 0.016 0.000 2.363 28 D HA 0.087 4.727 4.640 -0.000 0.000 0.220 28 D C 1.826 178.109 176.300 -0.029 0.000 0.994 28 D CA 0.427 54.458 54.000 0.053 0.000 0.890 28 D CB 0.199 41.107 40.800 0.181 0.000 0.906 28 D HN 0.038 nan 8.370 nan 0.000 0.530 29 A N 0.970 123.718 122.820 -0.119 0.000 1.848 29 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 29 A C 2.399 179.924 177.584 -0.098 0.000 1.220 29 A CA 2.613 54.558 52.037 -0.152 0.000 0.645 29 A CB -1.420 17.453 19.000 -0.212 0.000 0.842 29 A HN 0.301 nan 8.150 nan 0.000 0.451 30 A N -0.620 122.147 122.820 -0.089 0.000 1.873 30 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 30 A C 2.599 180.169 177.584 -0.023 0.000 1.193 30 A CA 3.095 55.098 52.037 -0.057 0.000 0.629 30 A CB -1.373 17.596 19.000 -0.051 0.000 0.826 30 A HN 1.456 nan 8.150 nan 0.000 0.447 31 A N -0.443 122.379 122.820 0.004 0.000 1.903 31 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 31 A C 2.230 179.840 177.584 0.044 0.000 1.191 31 A CA 1.804 53.868 52.037 0.044 0.000 0.638 31 A CB -0.721 18.335 19.000 0.094 0.000 0.823 31 A HN 0.516 nan 8.150 nan 0.000 0.451 32 L N -0.858 120.379 121.223 0.023 0.000 2.046 32 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 32 L C 2.975 179.825 176.870 -0.033 0.000 1.077 32 L CA 1.519 56.349 54.840 -0.016 0.000 0.747 32 L CB -0.507 41.522 42.059 -0.051 0.000 0.896 32 L HN 0.561 nan 8.230 nan 0.000 0.432 33 S N -0.306 115.370 115.700 -0.040 0.000 2.353 33 S HA -0.294 4.176 4.470 -0.000 0.000 0.222 33 S C 1.908 176.496 174.600 -0.019 0.000 1.035 33 S CA 1.875 60.053 58.200 -0.038 0.000 1.025 33 S CB -0.369 62.802 63.200 -0.047 0.000 0.902 33 S HN 0.457 nan 8.310 nan 0.000 0.440 34 D N 0.628 121.022 120.400 -0.011 0.000 2.158 34 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 34 D C 1.883 178.190 176.300 0.013 0.000 0.995 34 D CA 1.375 55.375 54.000 0.000 0.000 0.846 34 D CB -0.272 40.531 40.800 0.006 0.000 0.941 34 D HN 0.530 nan 8.370 nan 0.000 0.456 35 A N -0.598 122.236 122.820 0.022 0.000 2.119 35 A HA 0.270 4.590 4.320 -0.000 0.000 0.216 35 A C 1.776 179.378 177.584 0.029 0.000 1.152 35 A CA 1.607 53.667 52.037 0.038 0.000 0.708 35 A CB 0.037 19.078 19.000 0.069 0.000 0.805 35 A HN 0.429 nan 8.150 nan 0.000 0.460 36 G N -1.727 107.082 108.800 0.014 0.000 2.183 36 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.168 36 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.168 36 G C -0.144 174.766 174.900 0.017 0.000 1.008 36 G CA -0.120 44.994 45.100 0.023 0.000 0.677 36 G HN 0.202 nan 8.290 nan 0.000 0.498 37 I N 2.943 123.507 120.570 -0.010 0.000 2.396 37 I HA 0.321 4.491 4.170 -0.000 0.000 0.289 37 I C 1.734 177.840 176.117 -0.020 0.000 1.056 37 I CA 0.997 62.286 61.300 -0.018 0.000 1.365 37 I CB 0.783 38.746 38.000 -0.062 0.000 1.407 37 I HN 0.268 nan 8.210 nan 0.000 0.509 38 T N 1.920 116.475 114.554 0.001 0.000 3.001 38 T HA 0.512 4.862 4.350 -0.000 0.000 0.251 38 T C 0.487 175.150 174.700 -0.062 0.000 1.040 38 T CA -0.103 61.987 62.100 -0.018 0.000 0.985 38 T CB 0.569 69.442 68.868 0.008 0.000 1.011 38 T HN 0.621 nan 8.240 nan 0.000 0.509 39 A N 1.214 123.982 122.820 -0.086 0.000 2.488 39 A HA 0.688 5.007 4.320 -0.000 0.000 0.298 39 A C -1.334 176.118 177.584 -0.220 0.000 1.044 39 A CA -0.812 51.065 52.037 -0.267 0.000 0.693 39 A CB 1.207 19.936 19.000 -0.452 0.000 1.272 39 A HN 0.244 nan 8.150 nan 0.000 0.402 40 I N 1.724 122.153 120.570 -0.235 0.000 2.441 40 I HA 0.367 4.537 4.170 -0.000 0.000 0.295 40 I C -0.851 175.317 176.117 0.086 0.000 0.994 40 I CA -0.515 60.761 61.300 -0.040 0.000 1.144 40 I CB 1.611 39.574 38.000 -0.062 0.000 1.314 40 I HN 0.874 nan 8.210 nan 0.000 0.445 41 W N 9.457 130.819 121.300 0.104 0.000 2.291 41 W HA 0.584 5.243 4.660 -0.000 0.000 0.312 41 W C -0.616 176.095 176.519 0.319 0.000 1.061 41 W CA -1.740 55.758 57.345 0.255 0.000 1.296 41 W CB 0.184 29.863 29.460 0.366 0.000 1.223 41 W HN 0.397 nan 8.180 nan 0.000 0.421 42 I N 6.042 126.959 120.570 0.578 0.000 2.713 42 I HA 0.620 4.790 4.170 -0.000 0.000 0.300 42 I C -1.866 174.421 176.117 0.284 0.000 1.009 42 I CA -2.465 59.052 61.300 0.361 0.000 1.305 42 I CB 1.146 39.305 38.000 0.264 0.000 1.430 42 I HN 0.211 nan 8.210 nan 0.000 0.546 43 P HA 0.309 nan 4.420 nan 0.000 0.277 43 P C -2.672 174.409 177.300 -0.366 0.000 1.271 43 P CA -1.785 60.819 63.100 -0.827 0.000 0.795 43 P CB -0.534 29.875 31.700 -2.151 0.000 1.101 44 P HA -0.019 nan 4.420 nan 0.000 0.260 44 P C 0.231 177.237 177.300 -0.490 0.000 1.185 44 P CA 0.825 63.595 63.100 -0.549 0.000 0.763 44 P CB -0.274 31.095 31.700 -0.552 0.000 0.776 45 A N 3.630 126.164 122.820 -0.477 0.000 2.379 45 A HA 0.168 4.488 4.320 -0.000 0.000 0.236 45 A C -0.067 177.537 177.584 0.034 0.000 1.272 45 A CA 0.203 52.266 52.037 0.042 0.000 0.886 45 A CB -0.762 18.378 19.000 0.234 0.000 0.962 45 A HN 0.541 nan 8.150 nan 0.000 0.504 46 Y N -2.817 117.616 120.300 0.221 0.000 2.567 46 Y HA 0.709 5.258 4.550 -0.000 0.000 0.333 46 Y C 0.200 176.174 175.900 0.122 0.000 1.106 46 Y CA -3.005 55.193 58.100 0.163 0.000 1.157 46 Y CB 0.350 38.838 38.460 0.047 0.000 1.277 46 Y HN -0.096 nan 8.280 nan 0.000 0.490 47 K N 1.217 121.832 120.400 0.358 0.000 2.466 47 K HA 0.306 4.626 4.320 -0.000 0.000 0.278 47 K C 0.201 176.979 176.600 0.296 0.000 1.048 47 K CA 0.736 57.201 56.287 0.298 0.000 1.088 47 K CB -0.314 32.416 32.500 0.383 0.000 0.884 47 K HN 0.972 nan 8.250 nan 0.000 0.478 48 G N 2.690 111.595 108.800 0.175 0.000 2.557 48 G HA2 0.046 4.006 3.960 -0.000 0.000 0.302 48 G HA3 0.046 4.006 3.960 -0.000 0.000 0.302 48 G C 0.609 175.577 174.900 0.115 0.000 1.311 48 G CA -0.513 44.672 45.100 0.143 0.000 1.030 48 G HN 0.859 nan 8.290 nan 0.000 0.509 49 N N -1.297 117.449 118.700 0.075 0.000 2.096 49 N HA -0.171 4.568 4.740 -0.000 0.000 0.195 49 N C 1.051 176.516 175.510 -0.076 0.000 1.017 49 N CA 1.593 54.643 53.050 0.000 0.000 0.870 49 N CB -0.009 38.465 38.487 -0.022 0.000 1.024 49 N HN 0.525 nan 8.380 nan 0.000 0.434 50 S N -2.250 113.406 115.700 -0.073 0.000 2.720 50 S HA 0.103 4.573 4.470 -0.000 0.000 0.287 50 S C 0.386 174.925 174.600 -0.102 0.000 1.168 50 S CA -0.887 57.257 58.200 -0.095 0.000 0.832 50 S CB 1.671 64.807 63.200 -0.106 0.000 1.166 50 S HN 0.230 nan 8.310 nan 0.000 0.493 51 Q N 0.165 119.899 119.800 -0.110 0.000 2.119 51 Q HA -0.034 4.305 4.340 -0.000 0.000 0.201 51 Q C 1.845 177.712 176.000 -0.222 0.000 0.972 51 Q CA 1.627 57.345 55.803 -0.141 0.000 0.847 51 Q CB -0.604 28.064 28.738 -0.116 0.000 0.903 51 Q HN 0.917 nan 8.270 nan 0.000 0.433 52 A N 0.904 123.599 122.820 -0.207 0.000 2.239 52 A HA -0.055 4.264 4.320 -0.000 0.000 0.209 52 A C 0.505 177.900 177.584 -0.314 0.000 1.171 52 A CA 0.204 52.085 52.037 -0.260 0.000 0.768 52 A CB -0.279 18.606 19.000 -0.192 0.000 0.790 52 A HN 0.427 nan 8.150 nan 0.000 0.478 53 D N -0.106 120.131 120.400 -0.272 0.000 2.424 53 D HA 0.119 4.759 4.640 -0.000 0.000 0.244 53 D C 1.039 177.096 176.300 -0.405 0.000 1.134 53 D CA 0.057 53.897 54.000 -0.267 0.000 0.881 53 D CB 1.292 42.003 40.800 -0.149 0.000 1.191 53 D HN 0.037 nan 8.370 nan 0.000 0.445 54 V N 3.099 122.726 119.914 -0.478 0.000 2.970 54 V HA 0.054 4.173 4.120 -0.000 0.000 0.260 54 V C 1.791 177.619 176.094 -0.444 0.000 1.100 54 V CA 1.486 63.449 62.300 -0.562 0.000 1.122 54 V CB -0.178 31.116 31.823 -0.881 0.000 0.721 54 V HN 0.936 nan 8.190 nan 0.000 0.483 55 G N -1.654 106.924 108.800 -0.370 0.000 2.480 55 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.193 55 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.193 55 G C 0.525 175.257 174.900 -0.280 0.000 1.004 55 G CA 0.134 45.013 45.100 -0.368 0.000 0.696 55 G HN 0.367 nan 8.290 nan 0.000 0.478 56 Y N 1.454 121.826 120.300 0.120 0.000 2.544 56 Y HA 0.349 4.898 4.550 -0.000 0.000 0.286 56 Y C 2.409 178.447 175.900 0.230 0.000 1.141 56 Y CA 0.608 58.832 58.100 0.206 0.000 1.299 56 Y CB 0.039 38.657 38.460 0.264 0.000 1.030 56 Y HN 0.316 nan 8.280 nan 0.000 0.543 57 G N 0.505 109.442 108.800 0.228 0.000 3.574 57 G HA2 0.383 4.342 3.960 -0.000 0.000 0.262 57 G HA3 0.383 4.342 3.960 -0.000 0.000 0.262 57 G C 0.188 175.196 174.900 0.180 0.000 1.231 57 G CA -0.074 45.135 45.100 0.182 0.000 1.608 57 G HN 0.337 nan 8.290 nan 0.000 0.628 58 A N 0.217 123.152 122.820 0.191 0.000 2.567 58 A HA 0.304 4.623 4.320 -0.000 0.000 0.240 58 A C 0.472 178.129 177.584 0.122 0.000 1.053 58 A CA 0.187 52.300 52.037 0.127 0.000 0.755 58 A CB 0.353 19.334 19.000 -0.032 0.000 0.978 58 A HN 0.713 nan 8.150 nan 0.000 0.507 59 Y N 1.378 121.708 120.300 0.049 0.000 2.576 59 Y HA 0.285 4.834 4.550 -0.000 0.000 0.282 59 Y C 0.105 176.063 175.900 0.098 0.000 1.139 59 Y CA 0.738 58.933 58.100 0.158 0.000 1.265 59 Y CB 0.688 39.291 38.460 0.239 0.000 1.376 59 Y HN 0.555 nan 8.280 nan 0.000 0.511 60 D N 0.654 120.933 120.400 -0.202 0.000 2.375 60 D HA 0.222 4.862 4.640 -0.000 0.000 0.259 60 D C 0.291 176.381 176.300 -0.349 0.000 1.235 60 D CA -0.116 53.583 54.000 -0.502 0.000 0.924 60 D CB 0.493 41.120 40.800 -0.289 0.000 1.143 60 D HN 0.362 nan 8.370 nan 0.000 0.529 61 L N 2.305 123.097 121.223 -0.719 0.000 2.551 61 L HA -0.140 4.200 4.340 -0.000 0.000 0.230 61 L C 0.833 177.483 176.870 -0.366 0.000 1.163 61 L CA 0.925 55.195 54.840 -0.950 0.000 0.826 61 L CB -0.318 40.555 42.059 -1.975 0.000 0.943 61 L HN 0.498 nan 8.230 nan 0.000 0.452 62 Y N -1.858 118.339 120.300 -0.172 0.000 2.449 62 Y HA 0.083 4.633 4.550 -0.000 0.000 0.254 62 Y C 0.900 176.976 175.900 0.293 0.000 1.140 62 Y CA -0.429 57.638 58.100 -0.055 0.000 1.272 62 Y CB 0.336 38.631 38.460 -0.276 0.000 1.114 62 Y HN -0.002 nan 8.280 nan 0.000 0.525 63 D N 0.945 121.607 120.400 0.437 0.000 2.500 63 D HA 0.181 4.821 4.640 -0.000 0.000 0.219 63 D C -0.361 176.182 176.300 0.404 0.000 1.137 63 D CA 0.006 54.326 54.000 0.533 0.000 0.946 63 D CB 0.110 41.235 40.800 0.542 0.000 1.022 63 D HN 0.213 nan 8.370 nan 0.000 0.518 64 L N 3.002 124.446 121.223 0.368 0.000 2.934 64 L HA 0.338 4.677 4.340 -0.000 0.000 0.233 64 L C 1.324 178.329 176.870 0.225 0.000 1.358 64 L CA -0.459 54.578 54.840 0.328 0.000 1.233 64 L CB -0.247 42.011 42.059 0.331 0.000 1.594 64 L HN 0.601 nan 8.230 nan 0.000 0.439 65 G N 1.002 109.920 108.800 0.197 0.000 2.256 65 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.272 65 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.272 65 G C 0.464 175.386 174.900 0.037 0.000 1.076 65 G CA 0.676 45.860 45.100 0.141 0.000 0.882 65 G HN 0.689 nan 8.290 nan 0.000 0.497 66 E N -1.455 118.680 120.200 -0.107 0.000 2.500 66 E HA 0.369 4.719 4.350 -0.000 0.000 0.217 66 E C -0.082 176.208 176.600 -0.517 0.000 0.848 66 E CA -0.271 55.898 56.400 -0.386 0.000 1.217 66 E CB 0.482 29.802 29.700 -0.634 0.000 1.217 66 E HN 0.334 nan 8.360 nan 0.000 0.573 67 F N 1.232 121.307 119.950 0.209 0.000 2.508 67 F HA 0.353 4.880 4.527 -0.000 0.000 0.325 67 F C 0.222 176.119 175.800 0.161 0.000 1.090 67 F CA -1.471 56.640 58.000 0.185 0.000 0.945 67 F CB 1.027 40.156 39.000 0.215 0.000 1.156 67 F HN -0.187 nan 8.300 nan 0.000 0.463 68 N N 3.473 122.359 118.700 0.310 0.000 2.434 68 N HA 0.060 4.799 4.740 -0.000 0.000 0.273 68 N C -1.093 174.542 175.510 0.208 0.000 1.210 68 N CA 0.369 53.539 53.050 0.200 0.000 0.992 68 N CB -0.136 38.441 38.487 0.150 0.000 1.355 68 N HN 0.705 nan 8.380 nan 0.000 0.495 69 Q N 1.808 121.729 119.800 0.201 0.000 2.379 69 Q HA 0.298 4.638 4.340 -0.000 0.000 0.278 69 Q C -0.347 175.683 176.000 0.050 0.000 1.068 69 Q CA -0.956 54.950 55.803 0.171 0.000 0.816 69 Q CB 1.650 30.590 28.738 0.338 0.000 1.387 69 Q HN 0.213 nan 8.270 nan 0.000 0.413 70 K N -0.072 120.280 120.400 -0.079 0.000 3.071 70 K HA -0.236 4.083 4.320 -0.000 0.000 0.265 70 K C 0.483 177.038 176.600 -0.076 0.000 1.060 70 K CA 1.078 57.271 56.287 -0.156 0.000 0.767 70 K CB -2.166 30.202 32.500 -0.220 0.000 1.241 70 K HN 1.228 nan 8.250 nan 0.000 0.486 71 G N -1.499 107.279 108.800 -0.037 0.000 2.159 71 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.256 71 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.256 71 G C 0.131 175.025 174.900 -0.010 0.000 0.977 71 G CA 1.173 46.258 45.100 -0.025 0.000 0.652 71 G HN 0.971 nan 8.290 nan 0.000 0.531 72 T N -2.622 111.940 114.554 0.014 0.000 2.840 72 T HA 0.522 4.872 4.350 -0.000 0.000 0.317 72 T C 0.878 175.617 174.700 0.067 0.000 1.401 72 T CA 0.471 62.585 62.100 0.023 0.000 1.028 72 T CB 1.618 70.482 68.868 -0.007 0.000 1.317 72 T HN 0.507 nan 8.240 nan 0.000 0.495 73 V N 2.211 122.162 119.914 0.062 0.000 2.581 73 V HA 0.261 4.381 4.120 -0.000 0.000 0.240 73 V C 1.393 177.532 176.094 0.075 0.000 1.054 73 V CA 1.013 63.364 62.300 0.086 0.000 1.076 73 V CB -0.356 31.509 31.823 0.070 0.000 0.748 73 V HN 0.842 nan 8.190 nan 0.000 0.474 74 R N 1.479 122.007 120.500 0.047 0.000 2.543 74 R HA 0.408 4.747 4.340 -0.000 0.000 0.268 74 R C 0.183 176.494 176.300 0.018 0.000 1.067 74 R CA 0.053 56.182 56.100 0.048 0.000 1.142 74 R CB 0.617 30.932 30.300 0.025 0.000 1.110 74 R HN 0.328 nan 8.270 nan 0.000 0.549 75 T N -1.735 112.834 114.554 0.024 0.000 2.849 75 T HA 0.126 4.476 4.350 -0.000 0.000 0.276 75 T C 1.008 175.548 174.700 -0.268 0.000 0.971 75 T CA -0.778 61.281 62.100 -0.068 0.000 0.949 75 T CB 1.008 69.900 68.868 0.040 0.000 1.093 75 T HN 0.792 nan 8.240 nan 0.000 0.545 76 K N -0.692 119.385 120.400 -0.538 0.000 2.211 76 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 76 K C 1.303 177.391 176.600 -0.853 0.000 1.047 76 K CA 1.356 57.190 56.287 -0.756 0.000 0.935 76 K CB -0.307 31.555 32.500 -1.063 0.000 0.728 76 K HN 0.711 nan 8.250 nan 0.000 0.452 77 Y N -0.564 119.431 120.300 -0.509 0.000 2.490 77 Y HA 0.248 4.798 4.550 -0.000 0.000 0.285 77 Y C 1.319 176.760 175.900 -0.764 0.000 1.117 77 Y CA 0.461 58.042 58.100 -0.865 0.000 1.262 77 Y CB 0.557 38.019 38.460 -1.662 0.000 1.043 77 Y HN 0.253 nan 8.280 nan 0.000 0.553 78 G N -0.649 107.999 108.800 -0.254 0.000 2.340 78 G HA2 0.186 4.146 3.960 -0.000 0.000 0.282 78 G HA3 0.186 4.146 3.960 -0.000 0.000 0.282 78 G C -0.653 174.418 174.900 0.284 0.000 1.312 78 G CA -0.618 44.523 45.100 0.068 0.000 0.942 78 G HN 0.200 nan 8.290 nan 0.000 0.495 79 T N -1.572 113.153 114.554 0.286 0.000 2.847 79 T HA 0.543 4.893 4.350 -0.000 0.000 0.279 79 T C 1.420 176.250 174.700 0.216 0.000 0.984 79 T CA 0.593 62.817 62.100 0.207 0.000 0.988 79 T CB 1.869 70.803 68.868 0.110 0.000 1.040 79 T HN 0.822 nan 8.240 nan 0.000 0.528 80 K N 0.301 120.769 120.400 0.114 0.000 2.026 80 K HA -0.068 4.252 4.320 -0.000 0.000 0.208 80 K C 2.473 179.069 176.600 -0.007 0.000 1.048 80 K CA 1.312 57.628 56.287 0.048 0.000 0.929 80 K CB -0.872 31.651 32.500 0.040 0.000 0.713 80 K HN 0.732 nan 8.250 nan 0.000 0.439 81 A N 1.013 123.842 122.820 0.015 0.000 1.933 81 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 81 A C 1.939 179.512 177.584 -0.018 0.000 1.175 81 A CA 1.548 53.583 52.037 -0.004 0.000 0.628 81 A CB -0.456 18.551 19.000 0.011 0.000 0.814 81 A HN 0.494 nan 8.150 nan 0.000 0.444 82 Q N -1.231 118.587 119.800 0.030 0.000 2.230 82 Q HA -0.054 4.286 4.340 -0.000 0.000 0.202 82 Q C 1.995 177.976 176.000 -0.032 0.000 0.963 82 Q CA 1.128 56.964 55.803 0.055 0.000 0.866 82 Q CB -0.254 28.593 28.738 0.183 0.000 0.931 82 Q HN 0.590 nan 8.270 nan 0.000 0.452 83 L N 1.174 122.254 121.223 -0.238 0.000 2.072 83 L HA -0.109 4.231 4.340 -0.000 0.000 0.205 83 L C 1.705 178.315 176.870 -0.432 0.000 1.079 83 L CA 1.799 56.193 54.840 -0.744 0.000 0.752 83 L CB -0.161 41.272 42.059 -1.043 0.000 0.906 83 L HN 0.076 nan 8.230 nan 0.000 0.436 84 E N -0.616 119.432 120.200 -0.254 0.000 2.106 84 E HA -0.225 4.124 4.350 -0.000 0.000 0.192 84 E C 2.233 178.761 176.600 -0.119 0.000 0.984 84 E CA 0.938 57.230 56.400 -0.181 0.000 0.806 84 E CB -0.176 29.451 29.700 -0.121 0.000 0.750 84 E HN 0.447 nan 8.360 nan 0.000 0.458 85 R N 0.914 121.365 120.500 -0.083 0.000 2.092 85 R HA -0.101 4.238 4.340 -0.000 0.000 0.231 85 R C 2.184 178.528 176.300 0.073 0.000 1.119 85 R CA 1.222 57.310 56.100 -0.019 0.000 0.970 85 R CB -0.123 30.135 30.300 -0.069 0.000 0.864 85 R HN 0.137 nan 8.270 nan 0.000 0.440 86 A N 1.314 124.136 122.820 0.004 0.000 1.841 86 A HA -0.120 4.200 4.320 -0.000 0.000 0.214 86 A C 2.157 179.691 177.584 -0.084 0.000 1.195 86 A CA 1.432 53.481 52.037 0.020 0.000 0.611 86 A CB -0.613 18.359 19.000 -0.046 0.000 0.835 86 A HN 0.350 nan 8.150 nan 0.000 0.443 87 I N 0.036 120.502 120.570 -0.173 0.000 2.315 87 I HA -0.270 3.899 4.170 -0.000 0.000 0.251 87 I C 2.560 178.600 176.117 -0.128 0.000 1.125 87 I CA 1.090 62.282 61.300 -0.180 0.000 1.392 87 I CB -0.508 37.357 38.000 -0.225 0.000 1.065 87 I HN 0.441 nan 8.210 nan 0.000 0.424 88 G N -0.666 108.080 108.800 -0.089 0.000 2.402 88 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 88 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 88 G C 1.755 176.613 174.900 -0.069 0.000 1.162 88 G CA 0.872 45.933 45.100 -0.065 0.000 0.777 88 G HN 0.333 nan 8.290 nan 0.000 0.539 89 S N -0.024 115.634 115.700 -0.070 0.000 2.359 89 S HA -0.030 4.440 4.470 -0.000 0.000 0.224 89 S C 2.439 176.944 174.600 -0.159 0.000 1.035 89 S CA 1.006 59.109 58.200 -0.162 0.000 1.018 89 S CB -0.291 62.694 63.200 -0.359 0.000 0.876 89 S HN 0.340 nan 8.310 nan 0.000 0.448 90 L N 1.180 122.312 121.223 -0.153 0.000 2.012 90 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 90 L C 2.683 179.480 176.870 -0.120 0.000 1.073 90 L CA 1.289 56.040 54.840 -0.148 0.000 0.748 90 L CB -0.520 41.444 42.059 -0.159 0.000 0.891 90 L HN 0.207 nan 8.230 nan 0.000 0.431 91 K N -0.006 120.328 120.400 -0.109 0.000 2.032 91 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 91 K C 2.172 178.725 176.600 -0.079 0.000 1.048 91 K CA 1.824 58.057 56.287 -0.090 0.000 0.927 91 K CB -0.687 31.763 32.500 -0.084 0.000 0.712 91 K HN 0.288 nan 8.250 nan 0.000 0.441 92 S N 1.620 117.272 115.700 -0.079 0.000 2.442 92 S HA -0.067 4.403 4.470 -0.000 0.000 0.236 92 S C 1.125 175.682 174.600 -0.071 0.000 1.007 92 S CA 0.821 58.979 58.200 -0.069 0.000 0.965 92 S CB -0.115 63.043 63.200 -0.069 0.000 0.773 92 S HN 0.288 nan 8.310 nan 0.000 0.504 93 N N 1.571 120.220 118.700 -0.085 0.000 2.380 93 N HA 0.083 4.823 4.740 -0.000 0.000 0.255 93 N C -1.022 174.445 175.510 -0.072 0.000 1.158 93 N CA 0.071 53.074 53.050 -0.079 0.000 0.878 93 N CB 0.177 38.607 38.487 -0.094 0.000 1.138 93 N HN 0.238 nan 8.380 nan 0.000 0.509 94 D N 0.976 121.336 120.400 -0.067 0.000 2.686 94 D HA -0.196 4.443 4.640 -0.000 0.000 0.235 94 D C -0.260 175.999 176.300 -0.067 0.000 1.160 94 D CA 0.856 54.820 54.000 -0.059 0.000 0.645 94 D CB -1.088 39.684 40.800 -0.047 0.000 1.039 94 D HN 0.463 nan 8.370 nan 0.000 0.423 95 I N 0.675 121.193 120.570 -0.087 0.000 2.418 95 I HA 0.148 4.318 4.170 -0.000 0.000 0.287 95 I C 0.582 176.622 176.117 -0.129 0.000 1.008 95 I CA -0.807 60.428 61.300 -0.108 0.000 1.104 95 I CB 1.491 39.417 38.000 -0.124 0.000 1.264 95 I HN -0.201 nan 8.210 nan 0.000 0.438 96 N N 4.722 123.332 118.700 -0.150 0.000 2.482 96 N HA 0.259 4.999 4.740 -0.000 0.000 0.260 96 N C -0.596 174.748 175.510 -0.277 0.000 1.236 96 N CA -0.114 52.839 53.050 -0.162 0.000 0.938 96 N CB 1.776 40.201 38.487 -0.103 0.000 1.128 96 N HN 0.225 nan 8.380 nan 0.000 0.448 97 V N 2.812 122.631 119.914 -0.159 0.000 2.378 97 V HA 0.258 4.378 4.120 -0.000 0.000 0.288 97 V C -1.070 175.088 176.094 0.107 0.000 1.016 97 V CA -0.726 61.505 62.300 -0.115 0.000 0.840 97 V CB 0.293 32.052 31.823 -0.106 0.000 0.994 97 V HN 0.402 nan 8.190 nan 0.000 0.431 98 Y N 2.600 122.966 120.300 0.109 0.000 2.331 98 Y HA 0.696 5.246 4.550 -0.000 0.000 0.338 98 Y C 0.860 176.900 175.900 0.232 0.000 0.976 98 Y CA -1.468 56.717 58.100 0.142 0.000 1.137 98 Y CB 1.628 40.217 38.460 0.216 0.000 1.172 98 Y HN 0.688 nan 8.280 nan 0.000 0.478 99 G N 2.180 111.206 108.800 0.377 0.000 2.395 99 G HA2 0.160 4.120 3.960 -0.000 0.000 0.283 99 G HA3 0.160 4.120 3.960 -0.000 0.000 0.283 99 G C -0.647 174.585 174.900 0.554 0.000 1.178 99 G CA -0.486 44.879 45.100 0.441 0.000 0.837 99 G HN 0.521 nan 8.290 nan 0.000 0.518 100 D N 0.884 121.613 120.400 0.548 0.000 2.348 100 D HA 0.248 4.888 4.640 -0.000 0.000 0.253 100 D C -0.450 176.162 176.300 0.520 0.000 1.161 100 D CA 0.032 54.333 54.000 0.502 0.000 0.876 100 D CB 1.606 42.736 40.800 0.550 0.000 1.160 100 D HN -0.023 nan 8.370 nan 0.000 0.459 101 V N 4.784 124.947 119.914 0.416 0.000 2.378 101 V HA 0.196 4.316 4.120 -0.000 0.000 0.288 101 V C -0.023 176.161 176.094 0.149 0.000 1.016 101 V CA -0.794 61.713 62.300 0.344 0.000 0.840 101 V CB 1.851 33.776 31.823 0.169 0.000 0.994 101 V HN 0.342 nan 8.190 nan 0.000 0.431 102 V N 7.132 127.112 119.914 0.111 0.000 2.294 102 V HA 0.361 4.481 4.120 -0.000 0.000 0.272 102 V C 0.488 176.369 176.094 -0.356 0.000 1.027 102 V CA -0.027 62.231 62.300 -0.070 0.000 0.823 102 V CB 1.000 32.858 31.823 0.059 0.000 1.030 102 V HN 0.911 nan 8.190 nan 0.000 0.457 103 M N 2.034 121.447 119.600 -0.311 0.000 2.306 103 M HA 0.172 4.652 4.480 -0.000 0.000 0.292 103 M C 1.649 177.877 176.300 -0.120 0.000 1.018 103 M CA 0.055 55.190 55.300 -0.275 0.000 1.007 103 M CB 0.156 32.654 32.600 -0.170 0.000 1.510 103 M HN 0.644 nan 8.290 nan 0.000 0.537 104 N N 1.435 120.007 118.700 -0.214 0.000 2.223 104 N HA -0.101 4.638 4.740 -0.000 0.000 0.185 104 N C 0.412 175.894 175.510 -0.047 0.000 1.016 104 N CA 1.177 54.187 53.050 -0.067 0.000 0.863 104 N CB 0.305 38.759 38.487 -0.055 0.000 0.983 104 N HN 0.495 nan 8.380 nan 0.000 0.429 105 H N -3.748 115.284 119.070 -0.062 0.000 2.950 105 H HA 0.511 5.067 4.556 -0.000 0.000 0.272 105 H C -1.107 174.114 175.328 -0.178 0.000 1.495 105 H CA -0.989 55.015 56.048 -0.074 0.000 1.183 105 H CB 0.721 30.436 29.762 -0.078 0.000 1.867 105 H HN -0.184 nan 8.280 nan 0.000 0.597 106 K N 0.326 120.764 120.400 0.063 0.000 2.532 106 K HA 0.589 4.908 4.320 -0.000 0.000 0.265 106 K C -1.211 175.492 176.600 0.171 0.000 0.948 106 K CA -0.681 55.561 56.287 -0.074 0.000 0.842 106 K CB 3.444 35.630 32.500 -0.524 0.000 1.392 106 K HN 0.469 nan 8.250 nan 0.000 0.436 107 M N -0.167 119.601 119.600 0.279 0.000 2.531 107 M HA 0.372 4.852 4.480 -0.000 0.000 0.286 107 M C -0.161 176.365 176.300 0.378 0.000 1.232 107 M CA -0.148 55.312 55.300 0.267 0.000 0.877 107 M CB 2.413 35.097 32.600 0.140 0.000 1.726 107 M HN 0.891 nan 8.290 nan 0.000 0.463 108 G N 1.312 110.210 108.800 0.163 0.000 2.204 108 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.244 108 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.244 108 G C -0.013 174.903 174.900 0.027 0.000 1.062 108 G CA 0.039 45.166 45.100 0.046 0.000 0.798 108 G HN 1.134 nan 8.290 nan 0.000 0.496 109 A N -0.354 122.328 122.820 -0.231 0.000 2.507 109 A HA 0.451 4.771 4.320 -0.000 0.000 0.235 109 A C 1.341 178.762 177.584 -0.271 0.000 1.070 109 A CA 0.933 52.415 52.037 -0.925 0.000 0.768 109 A CB 0.322 18.863 19.000 -0.766 0.000 1.011 109 A HN 0.309 nan 8.150 nan 0.000 0.502 110 D N -0.370 119.835 120.400 -0.326 0.000 2.277 110 D HA 0.145 4.785 4.640 -0.000 0.000 0.208 110 D C -0.040 176.408 176.300 0.246 0.000 0.962 110 D CA 1.595 55.608 54.000 0.021 0.000 0.865 110 D CB -0.044 40.814 40.800 0.096 0.000 0.939 110 D HN 0.551 nan 8.370 nan 0.000 0.510 111 F N -1.281 118.703 119.950 0.057 0.000 2.719 111 F HA 0.366 4.893 4.527 -0.000 0.000 0.309 111 F C -0.316 175.254 175.800 -0.384 0.000 1.138 111 F CA -1.415 56.495 58.000 -0.149 0.000 0.943 111 F CB 0.444 39.372 39.000 -0.120 0.000 1.304 111 F HN -0.345 nan 8.300 nan 0.000 0.445 112 T N -1.043 113.181 114.554 -0.549 0.000 2.788 112 T HA 0.681 5.031 4.350 -0.000 0.000 0.280 112 T C -0.868 173.754 174.700 -0.130 0.000 0.984 112 T CA -0.655 61.086 62.100 -0.598 0.000 0.972 112 T CB 1.604 69.916 68.868 -0.927 0.000 1.039 112 T HN 0.752 nan 8.240 nan 0.000 0.530 113 E N -0.641 119.444 120.200 -0.193 0.000 2.343 113 E HA 0.513 4.863 4.350 -0.000 0.000 0.278 113 E C -1.141 175.250 176.600 -0.348 0.000 0.910 113 E CA -1.123 55.194 56.400 -0.139 0.000 0.757 113 E CB 2.223 31.938 29.700 0.025 0.000 1.218 113 E HN 0.875 nan 8.360 nan 0.000 0.435 114 A N 2.090 124.694 122.820 -0.360 0.000 2.492 114 A HA 0.436 4.756 4.320 -0.000 0.000 0.254 114 A C -0.282 176.866 177.584 -0.727 0.000 1.091 114 A CA 0.009 51.780 52.037 -0.443 0.000 0.768 114 A CB 0.074 18.881 19.000 -0.322 0.000 1.028 114 A HN 0.266 nan 8.150 nan 0.000 0.498 115 V N 3.688 123.140 119.914 -0.771 0.000 2.808 115 V HA 0.254 4.373 4.120 -0.000 0.000 0.308 115 V C -0.469 175.175 176.094 -0.751 0.000 1.099 115 V CA -0.970 60.687 62.300 -1.072 0.000 0.920 115 V CB 1.952 32.946 31.823 -1.382 0.000 1.014 115 V HN 0.914 nan 8.190 nan 0.000 0.425 116 Q N 2.484 121.901 119.800 -0.638 0.000 2.296 116 Q HA 0.682 5.022 4.340 -0.000 0.000 0.262 116 Q C -0.079 175.709 176.000 -0.353 0.000 0.981 116 Q CA 0.151 55.721 55.803 -0.389 0.000 0.905 116 Q CB 1.778 30.380 28.738 -0.227 0.000 1.186 116 Q HN 0.968 nan 8.270 nan 0.000 0.399 117 A N 1.941 124.542 122.820 -0.366 0.000 2.566 117 A HA 0.771 5.091 4.320 -0.000 0.000 0.292 117 A C -0.967 176.527 177.584 -0.151 0.000 1.112 117 A CA -0.647 51.256 52.037 -0.223 0.000 0.707 117 A CB 1.618 20.421 19.000 -0.330 0.000 1.302 117 A HN 0.475 nan 8.150 nan 0.000 0.409 118 V N -1.278 118.683 119.914 0.078 0.000 2.789 118 V HA 0.673 4.793 4.120 -0.000 0.000 0.311 118 V C -0.632 175.600 176.094 0.231 0.000 1.073 118 V CA -0.746 61.644 62.300 0.151 0.000 0.921 118 V CB 1.387 33.274 31.823 0.107 0.000 1.009 118 V HN 0.917 nan 8.190 nan 0.000 0.426 119 Q N 1.995 121.906 119.800 0.185 0.000 2.288 119 Q HA 0.632 4.971 4.340 -0.000 0.000 0.254 119 Q C -0.144 175.891 176.000 0.059 0.000 0.932 119 Q CA -0.430 55.375 55.803 0.004 0.000 0.902 119 Q CB 1.960 30.623 28.738 -0.125 0.000 1.203 119 Q HN 1.000 nan 8.270 nan 0.000 0.415 120 V N -0.301 119.652 119.914 0.065 0.000 3.096 120 V HA 0.505 4.625 4.120 -0.000 0.000 0.319 120 V C -0.435 175.701 176.094 0.069 0.000 1.103 120 V CA -1.273 61.106 62.300 0.133 0.000 1.016 120 V CB 1.848 33.838 31.823 0.279 0.000 1.090 120 V HN 0.711 nan 8.190 nan 0.000 0.449 121 N N 2.169 120.915 118.700 0.076 0.000 2.411 121 N HA 0.383 5.123 4.740 -0.000 0.000 0.259 121 N C -1.816 173.691 175.510 -0.006 0.000 1.103 121 N CA -1.820 51.251 53.050 0.036 0.000 0.954 121 N CB 1.328 39.844 38.487 0.049 0.000 1.085 121 N HN 0.409 nan 8.380 nan 0.000 0.485 122 P HA -0.179 nan 4.420 nan 0.000 0.217 122 P C 0.889 178.117 177.300 -0.119 0.000 1.151 122 P CA 1.718 64.775 63.100 -0.070 0.000 0.849 122 P CB 0.064 31.734 31.700 -0.051 0.000 0.787 123 T N -6.036 108.466 114.554 -0.086 0.000 3.113 123 T HA 0.049 4.399 4.350 -0.000 0.000 0.256 123 T C 0.666 175.308 174.700 -0.096 0.000 1.131 123 T CA 0.289 62.329 62.100 -0.101 0.000 1.074 123 T CB -0.630 68.206 68.868 -0.054 0.000 0.944 123 T HN -0.071 nan 8.240 nan 0.000 0.516 124 N N 0.149 118.807 118.700 -0.071 0.000 2.839 124 N HA 0.295 5.035 4.740 -0.000 0.000 0.230 124 N C 0.122 175.624 175.510 -0.014 0.000 1.388 124 N CA -0.469 52.560 53.050 -0.036 0.000 0.747 124 N CB 0.752 39.280 38.487 0.068 0.000 1.411 124 N HN -0.115 nan 8.380 nan 0.000 0.556 125 R N 0.323 120.718 120.500 -0.175 0.000 2.355 125 R HA 0.018 4.358 4.340 -0.000 0.000 0.219 125 R C 0.861 177.313 176.300 0.254 0.000 1.107 125 R CA 1.182 57.224 56.100 -0.095 0.000 1.021 125 R CB -0.339 29.585 30.300 -0.626 0.000 0.852 125 R HN 0.665 nan 8.270 nan 0.000 0.475 126 W N 0.233 121.653 121.300 0.199 0.000 2.476 126 W HA 0.008 4.668 4.660 -0.000 0.000 0.281 126 W C 0.886 177.504 176.519 0.164 0.000 1.230 126 W CA -0.436 57.037 57.345 0.214 0.000 1.287 126 W CB 0.235 29.764 29.460 0.115 0.000 1.108 126 W HN 0.087 nan 8.180 nan 0.000 0.567 127 Q N 2.068 122.084 119.800 0.359 0.000 2.322 127 Q HA 0.089 4.428 4.340 -0.000 0.000 0.256 127 Q C -1.083 175.026 176.000 0.182 0.000 0.960 127 Q CA -0.474 55.463 55.803 0.223 0.000 0.934 127 Q CB 0.712 29.547 28.738 0.162 0.000 1.200 127 Q HN -0.113 nan 8.270 nan 0.000 0.435 128 D N 4.212 124.706 120.400 0.157 0.000 2.350 128 D HA 0.116 4.756 4.640 -0.000 0.000 0.249 128 D C 0.756 177.109 176.300 0.089 0.000 1.119 128 D CA 0.019 54.095 54.000 0.127 0.000 0.886 128 D CB 0.972 41.839 40.800 0.112 0.000 1.195 128 D HN 0.689 nan 8.370 nan 0.000 0.437 129 I N -1.413 119.200 120.570 0.071 0.000 4.082 129 I HA 0.238 4.407 4.170 -0.000 0.000 0.337 129 I C 0.021 176.155 176.117 0.028 0.000 1.352 129 I CA -0.227 61.099 61.300 0.044 0.000 1.097 129 I CB 0.264 38.285 38.000 0.034 0.000 1.048 129 I HN 0.188 nan 8.210 nan 0.000 0.393 130 S N -0.068 115.662 115.700 0.049 0.000 2.596 130 S HA 0.762 5.232 4.470 -0.000 0.000 0.270 130 S C -0.107 174.550 174.600 0.095 0.000 1.155 130 S CA -0.226 58.005 58.200 0.051 0.000 0.827 130 S CB 1.273 64.511 63.200 0.063 0.000 1.130 130 S HN 0.257 nan 8.310 nan 0.000 0.467 131 G N 0.217 109.071 108.800 0.091 0.000 2.528 131 G HA2 0.623 4.583 3.960 -0.000 0.000 0.289 131 G HA3 0.623 4.583 3.960 -0.000 0.000 0.289 131 G C 0.233 175.256 174.900 0.205 0.000 1.192 131 G CA -0.484 44.680 45.100 0.106 0.000 0.921 131 G HN 1.366 nan 8.290 nan 0.000 0.512 132 A N -0.144 122.759 122.820 0.138 0.000 2.477 132 A HA 0.625 4.944 4.320 -0.000 0.000 0.246 132 A C -0.499 177.200 177.584 0.191 0.000 1.078 132 A CA 0.121 52.225 52.037 0.111 0.000 0.770 132 A CB -0.346 18.677 19.000 0.038 0.000 1.011 132 A HN 1.508 nan 8.150 nan 0.000 0.494 133 Y N -1.516 118.757 120.300 -0.045 0.000 2.677 133 Y HA 0.615 5.165 4.550 -0.000 0.000 0.334 133 Y C -0.342 175.497 175.900 -0.101 0.000 1.196 133 Y CA -1.037 57.028 58.100 -0.059 0.000 1.059 133 Y CB 0.543 38.973 38.460 -0.050 0.000 1.315 133 Y HN 0.387 nan 8.280 nan 0.000 0.455 134 T N 4.459 118.993 114.554 -0.033 0.000 2.761 134 T HA 0.527 4.877 4.350 -0.000 0.000 0.296 134 T C -0.045 174.528 174.700 -0.212 0.000 0.934 134 T CA -0.246 61.732 62.100 -0.202 0.000 1.091 134 T CB -0.256 68.524 68.868 -0.147 0.000 0.896 134 T HN 0.669 nan 8.240 nan 0.000 0.515 135 I N -0.309 119.990 120.570 -0.451 0.000 2.910 135 I HA 0.669 4.839 4.170 -0.000 0.000 0.310 135 I C -0.872 174.987 176.117 -0.430 0.000 1.043 135 I CA -1.058 59.968 61.300 -0.455 0.000 1.053 135 I CB 2.139 39.662 38.000 -0.796 0.000 1.242 135 I HN 0.221 nan 8.210 nan 0.000 0.452 136 D N 4.058 124.234 120.400 -0.374 0.000 2.477 136 D HA 0.520 5.159 4.640 -0.000 0.000 0.239 136 D C -0.294 175.822 176.300 -0.307 0.000 1.102 136 D CA 0.055 53.844 54.000 -0.352 0.000 0.901 136 D CB 1.751 42.355 40.800 -0.327 0.000 1.026 136 D HN 0.754 nan 8.370 nan 0.000 0.515 137 A N 1.805 124.468 122.820 -0.262 0.000 2.293 137 A HA 0.439 4.758 4.320 -0.000 0.000 0.302 137 A C -0.578 176.939 177.584 -0.111 0.000 1.119 137 A CA -0.656 51.351 52.037 -0.050 0.000 0.823 137 A CB 0.613 19.676 19.000 0.106 0.000 1.097 137 A HN 0.488 nan 8.150 nan 0.000 0.491 138 W N 1.599 122.928 121.300 0.048 0.000 2.072 138 W HA 0.372 5.032 4.660 -0.000 0.000 0.413 138 W C 0.995 177.437 176.519 -0.129 0.000 0.865 138 W CA 0.431 57.742 57.345 -0.056 0.000 1.579 138 W CB 0.554 29.988 29.460 -0.043 0.000 1.720 138 W HN 0.793 nan 8.180 nan 0.000 0.301 139 T N -1.601 112.956 114.554 0.006 0.000 3.003 139 T HA 0.250 4.599 4.350 -0.000 0.000 0.261 139 T C 0.855 175.632 174.700 0.128 0.000 1.003 139 T CA -0.158 62.055 62.100 0.187 0.000 0.917 139 T CB 0.231 69.386 68.868 0.478 0.000 1.084 139 T HN 0.214 nan 8.240 nan 0.000 0.522 140 G N 1.214 109.673 108.800 -0.568 0.000 2.333 140 G HA2 0.530 4.490 3.960 -0.000 0.000 0.290 140 G HA3 0.530 4.490 3.960 -0.000 0.000 0.290 140 G C -1.180 173.158 174.900 -0.937 0.000 1.150 140 G CA -0.459 43.972 45.100 -1.116 0.000 0.895 140 G HN 0.333 nan 8.290 nan 0.000 0.444 141 F N 1.369 121.122 119.950 -0.328 0.000 2.477 141 F HA 0.367 4.894 4.527 -0.000 0.000 0.335 141 F C 0.432 175.869 175.800 -0.605 0.000 1.130 141 F CA -1.023 56.723 58.000 -0.423 0.000 0.948 141 F CB 2.606 41.333 39.000 -0.456 0.000 1.154 141 F HN 0.395 nan 8.300 nan 0.000 0.439 142 D N 2.591 122.785 120.400 -0.344 0.000 2.479 142 D HA 0.073 4.713 4.640 -0.000 0.000 0.216 142 D C 0.439 176.669 176.300 -0.115 0.000 1.110 142 D CA 0.393 54.283 54.000 -0.182 0.000 0.841 142 D CB 0.296 41.153 40.800 0.096 0.000 1.040 142 D HN 0.424 nan 8.370 nan 0.000 0.505 143 F N 1.061 121.202 119.950 0.318 0.000 3.079 143 F HA -0.275 4.252 4.527 -0.000 0.000 0.274 143 F C 1.734 177.637 175.800 0.172 0.000 0.940 143 F CA 0.166 58.331 58.000 0.276 0.000 0.932 143 F CB -2.866 36.219 39.000 0.141 0.000 0.891 143 F HN -0.172 nan 8.300 nan 0.000 0.722 144 S N 0.288 116.144 115.700 0.260 0.000 2.406 144 S HA -0.327 4.143 4.470 -0.000 0.000 0.242 144 S C 2.438 177.114 174.600 0.127 0.000 1.079 144 S CA 1.912 60.209 58.200 0.161 0.000 1.133 144 S CB -0.853 62.431 63.200 0.140 0.000 1.005 144 S HN 0.815 nan 8.310 nan 0.000 0.443 145 G N 0.815 109.716 108.800 0.169 0.000 2.470 145 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.220 145 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.220 145 G C 1.320 176.226 174.900 0.009 0.000 1.121 145 G CA 0.876 46.062 45.100 0.144 0.000 0.766 145 G HN 0.495 nan 8.290 nan 0.000 0.553 146 R N -0.064 120.352 120.500 -0.140 0.000 2.119 146 R HA -0.005 4.334 4.340 -0.000 0.000 0.222 146 R C 1.233 177.194 176.300 -0.565 0.000 1.088 146 R CA 0.892 56.522 56.100 -0.784 0.000 0.984 146 R CB -0.170 29.824 30.300 -0.509 0.000 0.884 146 R HN 0.222 nan 8.270 nan 0.000 0.447 147 N N 0.068 118.643 118.700 -0.208 0.000 2.776 147 N HA -0.209 4.531 4.740 -0.000 0.000 0.250 147 N C -1.109 174.316 175.510 -0.142 0.000 1.112 147 N CA 0.992 53.965 53.050 -0.128 0.000 0.733 147 N CB -1.241 37.178 38.487 -0.114 0.000 1.097 147 N HN 0.559 nan 8.380 nan 0.000 0.558 148 N N -3.568 115.047 118.700 -0.142 0.000 2.850 148 N HA -0.211 4.529 4.740 -0.000 0.000 0.249 148 N C -0.035 175.335 175.510 -0.234 0.000 1.060 148 N CA 1.177 54.145 53.050 -0.136 0.000 0.825 148 N CB -1.559 36.884 38.487 -0.072 0.000 1.132 148 N HN 0.647 nan 8.380 nan 0.000 0.564 149 A N -0.429 122.180 122.820 -0.353 0.000 2.462 149 A HA 0.373 4.693 4.320 -0.000 0.000 0.243 149 A C 0.990 178.257 177.584 -0.528 0.000 1.076 149 A CA 0.843 52.574 52.037 -0.510 0.000 0.773 149 A CB -0.021 18.601 19.000 -0.631 0.000 1.010 149 A HN 0.374 nan 8.150 nan 0.000 0.493 150 Y N -0.009 120.193 120.300 -0.163 0.000 3.035 150 Y HA -0.256 4.294 4.550 -0.000 0.000 0.474 150 Y C 0.881 176.451 175.900 -0.550 0.000 1.222 150 Y CA 1.625 59.514 58.100 -0.352 0.000 2.575 150 Y CB -1.769 36.307 38.460 -0.639 0.000 0.874 150 Y HN 1.334 nan 8.280 nan 0.000 0.516 151 S N 0.002 115.389 115.700 -0.521 0.000 2.548 151 S HA 0.506 4.976 4.470 -0.000 0.000 0.278 151 S C -0.492 173.966 174.600 -0.235 0.000 1.150 151 S CA -0.156 57.759 58.200 -0.474 0.000 0.907 151 S CB 1.455 64.062 63.200 -0.989 0.000 1.108 151 S HN 0.352 nan 8.310 nan 0.000 0.459 152 D N 2.601 122.965 120.400 -0.061 0.000 2.402 152 D HA 0.114 4.754 4.640 -0.000 0.000 0.216 152 D C 0.142 176.507 176.300 0.108 0.000 1.128 152 D CA -0.299 53.712 54.000 0.017 0.000 0.833 152 D CB -0.249 40.552 40.800 0.000 0.000 0.971 152 D HN 0.333 nan 8.370 nan 0.000 0.503 153 F N 2.471 122.408 119.950 -0.021 0.000 2.495 153 F HA 0.264 4.790 4.527 -0.000 0.000 0.365 153 F C 0.155 176.042 175.800 0.146 0.000 1.090 153 F CA -0.195 57.800 58.000 -0.009 0.000 1.235 153 F CB 0.582 39.530 39.000 -0.087 0.000 1.119 153 F HN -0.327 nan 8.300 nan 0.000 0.562 154 K N 5.602 125.876 120.400 -0.210 0.000 2.259 154 K HA 0.257 4.577 4.320 -0.000 0.000 0.249 154 K C -1.541 174.959 176.600 -0.168 0.000 0.942 154 K CA -0.546 55.749 56.287 0.014 0.000 0.816 154 K CB 1.601 34.082 32.500 -0.032 0.000 1.155 154 K HN 0.614 nan 8.250 nan 0.000 0.428 155 W N 1.153 122.487 121.300 0.055 0.000 2.496 155 W HA 0.437 5.097 4.660 -0.000 0.000 0.327 155 W C 0.415 176.997 176.519 0.104 0.000 1.086 155 W CA -0.324 57.121 57.345 0.167 0.000 1.222 155 W CB 1.110 30.674 29.460 0.174 0.000 1.304 155 W HN 0.324 nan 8.180 nan 0.000 0.547 156 R N 2.002 122.501 120.500 -0.003 0.000 2.888 156 R HA 0.303 4.643 4.340 -0.000 0.000 0.264 156 R C 1.072 177.175 176.300 -0.329 0.000 1.045 156 R CA -0.947 54.938 56.100 -0.359 0.000 0.962 156 R CB 0.369 30.030 30.300 -1.065 0.000 1.210 156 R HN 0.691 nan 8.270 nan 0.000 0.479 157 W N 1.870 123.120 121.300 -0.084 0.000 2.325 157 W HA -0.234 4.425 4.660 -0.000 0.000 0.299 157 W C 0.834 177.499 176.519 0.243 0.000 1.215 157 W CA 1.325 58.852 57.345 0.304 0.000 1.244 157 W CB -0.764 28.760 29.460 0.106 0.000 1.140 157 W HN 0.590 nan 8.180 nan 0.000 0.523 158 F N 0.519 119.876 119.950 -0.987 0.000 2.722 158 F HA 0.085 4.612 4.527 -0.000 0.000 0.298 158 F C 1.681 177.181 175.800 -0.499 0.000 1.175 158 F CA 1.227 58.608 58.000 -1.032 0.000 1.462 158 F CB -1.792 36.361 39.000 -1.411 0.000 1.111 158 F HN -0.009 nan 8.300 nan 0.000 0.592 159 H N -1.651 117.187 119.070 -0.387 0.000 2.582 159 H HA 0.230 4.785 4.556 -0.000 0.000 0.269 159 H C 0.097 175.324 175.328 -0.169 0.000 0.962 159 H CA -0.284 55.578 56.048 -0.311 0.000 1.230 159 H CB 0.222 29.639 29.762 -0.575 0.000 1.445 159 H HN 0.184 nan 8.280 nan 0.000 0.528 160 F N 0.831 121.019 119.950 0.397 0.000 2.461 160 F HA 0.175 4.702 4.527 -0.000 0.000 0.337 160 F C 1.223 177.098 175.800 0.125 0.000 1.079 160 F CA -0.928 57.219 58.000 0.246 0.000 1.032 160 F CB 0.615 39.748 39.000 0.223 0.000 1.327 160 F HN 0.072 nan 8.300 nan 0.000 0.491 161 N N -1.130 117.565 118.700 -0.009 0.000 2.036 161 N HA 0.326 5.066 4.740 -0.000 0.000 0.228 161 N C -0.439 174.714 175.510 -0.595 0.000 1.368 161 N CA 0.293 53.224 53.050 -0.198 0.000 0.846 161 N CB 1.065 39.601 38.487 0.081 0.000 1.145 161 N HN 0.768 nan 8.380 nan 0.000 0.502 162 G N -0.148 108.228 108.800 -0.706 0.000 2.556 162 G HA2 0.537 4.497 3.960 -0.000 0.000 0.294 162 G HA3 0.537 4.497 3.960 -0.000 0.000 0.294 162 G C -1.659 173.206 174.900 -0.058 0.000 1.516 162 G CA -0.144 44.775 45.100 -0.303 0.000 0.824 162 G HN 0.683 nan 8.290 nan 0.000 0.535 163 V N -1.900 118.015 119.914 0.001 0.000 3.206 163 V HA 0.863 4.983 4.120 -0.000 0.000 0.305 163 V C -0.403 175.716 176.094 0.041 0.000 1.257 163 V CA -0.284 62.111 62.300 0.159 0.000 1.057 163 V CB 2.253 34.268 31.823 0.320 0.000 1.075 163 V HN 0.905 nan 8.190 nan 0.000 0.443 164 D N -0.834 119.712 120.400 0.243 0.000 2.462 164 D HA 0.189 4.828 4.640 -0.000 0.000 0.221 164 D C -0.139 176.456 176.300 0.492 0.000 1.173 164 D CA 0.003 54.152 54.000 0.249 0.000 0.831 164 D CB 0.537 41.506 40.800 0.282 0.000 1.001 164 D HN 0.765 nan 8.370 nan 0.000 0.499 165 W N 1.757 123.276 121.300 0.365 0.000 3.211 165 W HA 0.345 5.005 4.660 -0.000 0.000 0.335 165 W C -2.140 174.593 176.519 0.357 0.000 1.113 165 W CA -0.796 56.764 57.345 0.359 0.000 1.235 165 W CB 1.843 31.445 29.460 0.236 0.000 1.365 165 W HN -0.144 nan 8.180 nan 0.000 0.476 166 D N 3.853 123.999 120.400 -0.424 0.000 2.392 166 D HA 0.109 4.749 4.640 -0.000 0.000 0.228 166 D C 0.692 176.489 176.300 -0.839 0.000 1.074 166 D CA -0.027 53.667 54.000 -0.510 0.000 0.838 166 D CB 1.990 42.612 40.800 -0.295 0.000 1.067 166 D HN 0.344 nan 8.370 nan 0.000 0.511 167 Q N 3.521 123.070 119.800 -0.419 0.000 2.297 167 Q HA -0.031 4.309 4.340 -0.000 0.000 0.204 167 Q C 1.776 177.689 176.000 -0.145 0.000 0.962 167 Q CA 1.210 56.969 55.803 -0.073 0.000 0.879 167 Q CB 0.033 28.918 28.738 0.244 0.000 0.947 167 Q HN 0.604 nan 8.270 nan 0.000 0.462 168 R N -1.148 119.189 120.500 -0.272 0.000 2.070 168 R HA -0.151 4.189 4.340 -0.000 0.000 0.232 168 R C 0.998 177.037 176.300 -0.436 0.000 1.138 168 R CA 1.889 57.747 56.100 -0.403 0.000 0.936 168 R CB -0.209 29.746 30.300 -0.576 0.000 0.839 168 R HN 0.382 nan 8.270 nan 0.000 0.429 169 Y N 0.409 120.643 120.300 -0.110 0.000 2.457 169 Y HA 0.265 4.814 4.550 -0.000 0.000 0.263 169 Y C -0.185 175.652 175.900 -0.105 0.000 1.164 169 Y CA -0.297 57.764 58.100 -0.064 0.000 1.274 169 Y CB 0.361 38.812 38.460 -0.016 0.000 1.097 169 Y HN 0.138 nan 8.280 nan 0.000 0.523 170 Q N 1.674 121.372 119.800 -0.170 0.000 2.436 170 Q HA -0.208 4.131 4.340 -0.000 0.000 0.362 170 Q C -0.990 174.791 176.000 -0.365 0.000 1.423 170 Q CA 0.811 56.372 55.803 -0.403 0.000 1.014 170 Q CB -1.295 27.541 28.738 0.164 0.000 1.177 170 Q HN 0.599 nan 8.270 nan 0.000 0.324 171 E N 0.663 120.458 120.200 -0.676 0.000 2.433 171 E HA 0.466 4.816 4.350 -0.000 0.000 0.278 171 E C -1.073 175.516 176.600 -0.018 0.000 0.976 171 E CA -1.078 55.256 56.400 -0.110 0.000 0.793 171 E CB 1.296 31.080 29.700 0.140 0.000 1.311 171 E HN 0.251 nan 8.360 nan 0.000 0.460 172 N N 0.830 119.566 118.700 0.061 0.000 2.400 172 N HA 0.427 5.166 4.740 -0.000 0.000 0.288 172 N C -1.295 173.970 175.510 -0.408 0.000 1.024 172 N CA -0.315 52.798 53.050 0.105 0.000 0.894 172 N CB 0.851 39.439 38.487 0.169 0.000 1.173 172 N HN 0.316 nan 8.380 nan 0.000 0.487 173 H N 0.611 119.616 119.070 -0.108 0.000 3.037 173 H HA 0.282 4.838 4.556 -0.000 0.000 0.336 173 H C -0.953 174.062 175.328 -0.522 0.000 1.323 173 H CA -0.586 55.166 56.048 -0.493 0.000 1.159 173 H CB 1.277 30.335 29.762 -1.174 0.000 1.882 173 H HN 0.275 nan 8.280 nan 0.000 0.535 174 I N 2.989 123.384 120.570 -0.291 0.000 2.281 174 I HA 0.132 4.302 4.170 -0.000 0.000 0.293 174 I C -0.142 175.850 176.117 -0.208 0.000 1.085 174 I CA 0.032 61.183 61.300 -0.247 0.000 1.257 174 I CB -1.261 36.663 38.000 -0.126 0.000 1.430 174 I HN 0.276 nan 8.210 nan 0.000 0.489 175 F N 5.472 125.417 119.950 -0.008 0.000 2.410 175 F HA 0.434 4.960 4.527 -0.000 0.000 0.349 175 F C 1.041 176.897 175.800 0.092 0.000 1.117 175 F CA -0.566 57.472 58.000 0.063 0.000 1.104 175 F CB 1.068 40.109 39.000 0.068 0.000 1.122 175 F HN 0.334 nan 8.300 nan 0.000 0.483 176 R N 3.685 124.333 120.500 0.247 0.000 2.294 176 R HA 0.350 4.689 4.340 -0.000 0.000 0.319 176 R C -0.951 175.420 176.300 0.117 0.000 0.984 176 R CA -0.770 55.243 56.100 -0.146 0.000 0.861 176 R CB 0.565 30.569 30.300 -0.493 0.000 1.104 176 R HN 0.373 nan 8.270 nan 0.000 0.451 177 F N 2.258 122.170 119.950 -0.064 0.000 2.572 177 F HA 0.093 4.619 4.527 -0.000 0.000 0.370 177 F C 1.055 176.846 175.800 -0.015 0.000 1.103 177 F CA -0.782 57.231 58.000 0.021 0.000 1.286 177 F CB 0.186 39.306 39.000 0.200 0.000 1.105 177 F HN 0.570 nan 8.300 nan 0.000 0.583 178 A N 3.729 126.634 122.820 0.141 0.000 2.511 178 A HA 0.190 4.509 4.320 -0.000 0.000 0.242 178 A C 0.809 178.467 177.584 0.123 0.000 1.069 178 A CA 0.234 52.315 52.037 0.074 0.000 0.763 178 A CB -0.555 18.450 19.000 0.009 0.000 1.001 178 A HN 0.982 nan 8.150 nan 0.000 0.498 179 N N -1.049 117.703 118.700 0.088 0.000 2.818 179 N HA -0.172 4.568 4.740 -0.000 0.000 0.250 179 N C -0.165 175.425 175.510 0.133 0.000 1.108 179 N CA 1.024 54.135 53.050 0.102 0.000 0.745 179 N CB -1.366 37.189 38.487 0.114 0.000 1.104 179 N HN 1.132 nan 8.380 nan 0.000 0.557 180 T N -2.418 112.203 114.554 0.111 0.000 2.906 180 T HA 0.653 5.002 4.350 -0.000 0.000 0.295 180 T C -0.602 174.094 174.700 -0.006 0.000 1.061 180 T CA -0.937 61.230 62.100 0.112 0.000 1.000 180 T CB 2.064 71.052 68.868 0.200 0.000 1.103 180 T HN 0.129 nan 8.240 nan 0.000 0.486 181 N N 0.121 118.841 118.700 0.034 0.000 2.443 181 N HA 0.514 5.253 4.740 -0.000 0.000 0.293 181 N C -1.091 174.496 175.510 0.128 0.000 1.159 181 N CA -0.900 52.181 53.050 0.052 0.000 0.904 181 N CB 0.845 39.433 38.487 0.168 0.000 1.214 181 N HN 0.729 nan 8.380 nan 0.000 0.513 182 W N 0.641 122.114 121.300 0.288 0.000 2.181 182 W HA 0.147 4.806 4.660 -0.000 0.000 0.335 182 W C 0.888 177.607 176.519 0.334 0.000 1.310 182 W CA -0.538 56.957 57.345 0.250 0.000 1.226 182 W CB 0.366 29.902 29.460 0.126 0.000 1.155 182 W HN 0.271 nan 8.180 nan 0.000 0.565 183 N N 1.802 120.871 118.700 0.615 0.000 2.305 183 N HA -0.057 4.682 4.740 -0.000 0.000 0.232 183 N C -0.694 175.184 175.510 0.613 0.000 1.274 183 N CA 0.665 54.027 53.050 0.520 0.000 0.870 183 N CB 0.506 39.232 38.487 0.399 0.000 1.105 183 N HN 0.450 nan 8.380 nan 0.000 0.436 184 W N 1.035 122.533 121.300 0.331 0.000 3.571 184 W HA 0.181 4.841 4.660 -0.000 0.000 0.294 184 W C -0.879 175.863 176.519 0.371 0.000 1.257 184 W CA -0.506 56.997 57.345 0.264 0.000 1.206 184 W CB 1.271 30.919 29.460 0.313 0.000 1.325 184 W HN 0.440 nan 8.180 nan 0.000 0.546 185 R N 3.051 123.383 120.500 -0.281 0.000 2.531 185 R HA 0.565 4.904 4.340 -0.000 0.000 0.273 185 R C -0.465 174.979 176.300 -1.425 0.000 1.070 185 R CA 0.016 55.199 56.100 -1.529 0.000 1.112 185 R CB 1.362 30.859 30.300 -1.339 0.000 1.049 185 R HN 0.333 nan 8.270 nan 0.000 0.508 186 V N -0.865 118.170 119.914 -1.465 0.000 3.206 186 V HA 0.302 4.422 4.120 -0.000 0.000 0.305 186 V C -0.578 175.186 176.094 -0.551 0.000 1.257 186 V CA -1.226 60.554 62.300 -0.867 0.000 1.057 186 V CB 1.655 33.318 31.823 -0.268 0.000 1.075 186 V HN 0.854 nan 8.190 nan 0.000 0.443 187 D N 0.850 121.177 120.400 -0.122 0.000 2.533 187 D HA -0.007 4.633 4.640 -0.000 0.000 0.236 187 D C 0.510 176.823 176.300 0.022 0.000 1.137 187 D CA 0.595 54.601 54.000 0.009 0.000 0.867 187 D CB 1.127 41.878 40.800 -0.082 0.000 1.170 187 D HN 0.782 nan 8.370 nan 0.000 0.474 188 E N 2.115 122.346 120.200 0.053 0.000 2.359 188 E HA -0.004 4.346 4.350 -0.000 0.000 0.187 188 E C 0.091 176.742 176.600 0.084 0.000 1.081 188 E CA -0.105 56.369 56.400 0.124 0.000 0.929 188 E CB 0.266 30.085 29.700 0.198 0.000 1.086 188 E HN 0.452 nan 8.360 nan 0.000 0.462 189 E N 1.443 121.693 120.200 0.083 0.000 2.289 189 E HA 0.011 4.360 4.350 -0.000 0.000 0.278 189 E C -0.119 176.359 176.600 -0.203 0.000 1.032 189 E CA -0.148 56.257 56.400 0.008 0.000 0.854 189 E CB 0.306 30.077 29.700 0.118 0.000 1.046 189 E HN 0.043 nan 8.360 nan 0.000 0.409 190 N N 3.019 121.596 118.700 -0.205 0.000 2.818 190 N HA -0.225 4.515 4.740 -0.000 0.000 0.250 190 N C 0.603 175.967 175.510 -0.244 0.000 1.108 190 N CA 0.891 53.775 53.050 -0.276 0.000 0.745 190 N CB -1.538 36.638 38.487 -0.517 0.000 1.104 190 N HN 0.906 nan 8.380 nan 0.000 0.557 191 G N 0.754 109.481 108.800 -0.123 0.000 5.155 191 G HA2 -0.367 3.592 3.960 -0.000 0.000 0.239 191 G HA3 -0.367 3.592 3.960 -0.000 0.000 0.239 191 G C -0.207 174.505 174.900 -0.313 0.000 1.409 191 G CA 0.601 45.633 45.100 -0.114 0.000 0.927 191 G HN 0.653 nan 8.290 nan 0.000 0.710 192 N N -0.337 117.964 118.700 -0.665 0.000 2.480 192 N HA 0.418 5.158 4.740 -0.000 0.000 0.289 192 N C -1.055 174.197 175.510 -0.430 0.000 1.073 192 N CA -0.511 52.177 53.050 -0.603 0.000 0.885 192 N CB 1.212 38.917 38.487 -1.304 0.000 1.421 192 N HN 0.207 nan 8.380 nan 0.000 0.503 193 Y N 2.544 122.681 120.300 -0.271 0.000 2.718 193 Y HA 0.131 4.681 4.550 -0.000 0.000 0.322 193 Y C 1.416 177.260 175.900 -0.092 0.000 1.122 193 Y CA -0.662 57.337 58.100 -0.169 0.000 1.348 193 Y CB -0.257 38.175 38.460 -0.047 0.000 1.174 193 Y HN 0.637 nan 8.280 nan 0.000 0.523 194 D N -0.396 119.983 120.400 -0.036 0.000 2.117 194 D HA -0.228 4.412 4.640 -0.000 0.000 0.197 194 D C 0.181 176.470 176.300 -0.018 0.000 0.987 194 D CA 1.023 55.042 54.000 0.032 0.000 0.829 194 D CB -0.215 40.666 40.800 0.135 0.000 0.961 194 D HN 0.230 nan 8.370 nan 0.000 0.460 195 Y N 0.203 120.328 120.300 -0.293 0.000 2.336 195 Y HA 0.340 4.890 4.550 -0.000 0.000 0.335 195 Y C 0.456 176.267 175.900 -0.148 0.000 1.046 195 Y CA -0.456 57.514 58.100 -0.217 0.000 1.198 195 Y CB 1.089 39.321 38.460 -0.380 0.000 1.182 195 Y HN 0.000 nan 8.280 nan 0.000 0.502 196 L N 6.305 126.817 121.223 -1.185 0.000 2.738 196 L HA 0.509 4.848 4.340 -0.000 0.000 0.175 196 L C -1.005 175.338 176.870 -0.879 0.000 1.125 196 L CA 0.848 55.167 54.840 -0.869 0.000 0.857 196 L CB 0.237 41.714 42.059 -0.970 0.000 1.300 196 L HN 0.627 nan 8.230 nan 0.000 0.499 197 L N -3.837 116.798 121.223 -0.981 0.000 2.838 197 L HA 0.823 5.162 4.340 -0.000 0.000 0.266 197 L C 0.151 176.774 176.870 -0.411 0.000 1.040 197 L CA -0.511 54.016 54.840 -0.522 0.000 0.906 197 L CB 0.972 42.788 42.059 -0.404 0.000 1.501 197 L HN 0.454 nan 8.230 nan 0.000 0.407 198 G N 0.850 109.600 108.800 -0.083 0.000 2.598 198 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.269 198 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.269 198 G C -0.207 174.775 174.900 0.138 0.000 1.289 198 G CA 0.001 45.104 45.100 0.004 0.000 0.926 198 G HN 0.980 nan 8.290 nan 0.000 0.567 199 S N 0.759 116.479 115.700 0.032 0.000 2.422 199 S HA 0.368 4.838 4.470 -0.000 0.000 0.283 199 S C 0.453 175.093 174.600 0.067 0.000 1.163 199 S CA -0.153 57.952 58.200 -0.157 0.000 1.054 199 S CB 0.769 63.424 63.200 -0.909 0.000 0.967 199 S HN 0.752 nan 8.310 nan 0.000 0.499 200 N N 3.508 122.378 118.700 0.283 0.000 2.442 200 N HA 0.182 4.922 4.740 -0.000 0.000 0.265 200 N C -0.399 175.393 175.510 0.470 0.000 1.138 200 N CA -0.149 53.115 53.050 0.358 0.000 0.956 200 N CB 0.261 39.020 38.487 0.453 0.000 1.067 200 N HN 0.508 nan 8.380 nan 0.000 0.474 201 I N 1.782 122.559 120.570 0.346 0.000 2.556 201 I HA -0.002 4.168 4.170 -0.000 0.000 0.284 201 I C 0.309 176.392 176.117 -0.056 0.000 1.114 201 I CA 0.021 61.366 61.300 0.075 0.000 1.418 201 I CB 0.459 38.264 38.000 -0.325 0.000 1.394 201 I HN 0.510 nan 8.210 nan 0.000 0.552 202 D N 6.281 126.651 120.400 -0.050 0.000 2.359 202 D HA 0.180 4.819 4.640 -0.000 0.000 0.230 202 D C 0.320 176.507 176.300 -0.188 0.000 1.118 202 D CA -0.262 53.739 54.000 0.003 0.000 0.844 202 D CB 0.658 41.486 40.800 0.047 0.000 1.059 202 D HN 0.253 nan 8.370 nan 0.000 0.493 203 F N 1.410 121.354 119.950 -0.010 0.000 2.780 203 F HA -0.046 4.481 4.527 -0.000 0.000 0.299 203 F C 2.577 178.466 175.800 0.148 0.000 1.146 203 F CA 0.259 58.204 58.000 -0.091 0.000 1.428 203 F CB -0.147 38.615 39.000 -0.397 0.000 1.115 203 F HN 0.372 nan 8.300 nan 0.000 0.583 204 S N -1.350 114.487 115.700 0.228 0.000 2.442 204 S HA -0.148 4.322 4.470 -0.000 0.000 0.236 204 S C 0.655 175.302 174.600 0.078 0.000 1.007 204 S CA 0.594 58.901 58.200 0.178 0.000 0.965 204 S CB -0.775 62.443 63.200 0.029 0.000 0.773 204 S HN 0.277 nan 8.310 nan 0.000 0.504 205 H N 2.517 121.684 119.070 0.163 0.000 2.742 205 H HA 0.281 4.836 4.556 -0.000 0.000 0.302 205 H C -1.866 173.519 175.328 0.095 0.000 1.069 205 H CA -2.134 53.978 56.048 0.106 0.000 1.446 205 H CB 0.721 30.535 29.762 0.087 0.000 1.462 205 H HN 0.182 nan 8.280 nan 0.000 0.499 206 P HA -0.177 nan 4.420 nan 0.000 0.218 206 P C 1.437 178.806 177.300 0.117 0.000 1.148 206 P CA 1.276 64.474 63.100 0.163 0.000 0.822 206 P CB 0.458 32.235 31.700 0.128 0.000 0.784 207 E N -0.702 119.558 120.200 0.100 0.000 2.274 207 E HA -0.069 4.281 4.350 -0.000 0.000 0.194 207 E C 1.805 178.360 176.600 -0.076 0.000 0.996 207 E CA 0.965 57.402 56.400 0.062 0.000 0.840 207 E CB -1.244 28.525 29.700 0.115 0.000 0.772 207 E HN 0.146 nan 8.360 nan 0.000 0.491 208 V N 1.741 121.584 119.914 -0.118 0.000 2.273 208 V HA -0.231 3.889 4.120 -0.000 0.000 0.242 208 V C 2.584 178.577 176.094 -0.168 0.000 1.035 208 V CA 1.779 63.884 62.300 -0.324 0.000 1.013 208 V CB -0.748 30.890 31.823 -0.308 0.000 0.652 208 V HN 0.156 nan 8.190 nan 0.000 0.452 209 Q N 0.046 119.836 119.800 -0.017 0.000 2.133 209 Q HA -0.282 4.058 4.340 -0.000 0.000 0.208 209 Q C 1.947 178.122 176.000 0.291 0.000 0.991 209 Q CA 2.078 57.998 55.803 0.196 0.000 0.867 209 Q CB -0.281 28.681 28.738 0.374 0.000 0.911 209 Q HN 0.657 nan 8.270 nan 0.000 0.417 210 D N -0.243 120.233 120.400 0.128 0.000 2.194 210 D HA -0.115 4.525 4.640 -0.000 0.000 0.204 210 D C 1.767 178.100 176.300 0.056 0.000 0.964 210 D CA 0.799 54.845 54.000 0.078 0.000 0.846 210 D CB -0.029 40.801 40.800 0.051 0.000 0.962 210 D HN 0.187 nan 8.370 nan 0.000 0.490 211 E N 1.291 121.441 120.200 -0.083 0.000 2.072 211 E HA -0.082 4.267 4.350 -0.000 0.000 0.191 211 E C 2.153 178.793 176.600 0.066 0.000 0.985 211 E CA 0.773 57.035 56.400 -0.229 0.000 0.801 211 E CB -0.417 28.687 29.700 -0.993 0.000 0.750 211 E HN 0.222 nan 8.360 nan 0.000 0.452 212 L N 0.010 121.340 121.223 0.177 0.000 2.156 212 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 212 L C 2.478 179.793 176.870 0.742 0.000 1.095 212 L CA 1.062 56.182 54.840 0.467 0.000 0.770 212 L CB -0.283 42.040 42.059 0.440 0.000 0.914 212 L HN 0.084 nan 8.230 nan 0.000 0.439 213 K N -0.057 120.689 120.400 0.576 0.000 2.001 213 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 213 K C 1.735 178.561 176.600 0.376 0.000 1.048 213 K CA 1.365 57.907 56.287 0.425 0.000 0.932 213 K CB -0.117 32.350 32.500 -0.056 0.000 0.715 213 K HN 0.217 nan 8.250 nan 0.000 0.437 214 D N 0.130 120.714 120.400 0.306 0.000 2.123 214 D HA -0.202 4.438 4.640 -0.000 0.000 0.196 214 D C 1.595 178.129 176.300 0.391 0.000 0.992 214 D CA 0.992 55.182 54.000 0.316 0.000 0.833 214 D CB -0.257 40.694 40.800 0.252 0.000 0.954 214 D HN 0.309 nan 8.370 nan 0.000 0.455 215 W N 2.108 123.578 121.300 0.284 0.000 2.354 215 W HA -0.103 4.557 4.660 -0.000 0.000 0.315 215 W C 2.387 179.118 176.519 0.354 0.000 1.206 215 W CA 2.397 59.883 57.345 0.234 0.000 1.290 215 W CB -0.863 28.559 29.460 -0.064 0.000 1.152 215 W HN -0.025 nan 8.180 nan 0.000 0.489 216 G N -0.093 108.699 108.800 -0.013 0.000 2.513 216 G HA2 -0.440 3.519 3.960 -0.000 0.000 0.219 216 G HA3 -0.440 3.519 3.960 -0.000 0.000 0.219 216 G C 1.656 176.434 174.900 -0.204 0.000 1.160 216 G CA 1.754 46.731 45.100 -0.205 0.000 0.767 216 G HN 0.405 nan 8.290 nan 0.000 0.571 217 S N -0.693 114.970 115.700 -0.061 0.000 2.355 217 S HA -0.136 4.334 4.470 -0.000 0.000 0.222 217 S C 1.955 176.537 174.600 -0.030 0.000 1.031 217 S CA 1.552 59.715 58.200 -0.061 0.000 0.993 217 S CB -0.458 62.743 63.200 0.001 0.000 0.859 217 S HN 0.622 nan 8.310 nan 0.000 0.453 218 W N 1.383 122.643 121.300 -0.067 0.000 2.317 218 W HA -0.185 4.475 4.660 -0.000 0.000 0.318 218 W C 1.773 178.250 176.519 -0.070 0.000 1.227 218 W CA 1.793 59.136 57.345 -0.003 0.000 1.269 218 W CB -0.969 28.581 29.460 0.150 0.000 1.155 218 W HN 0.370 nan 8.180 nan 0.000 0.484 219 F N 1.665 121.283 119.950 -0.554 0.000 2.026 219 F HA -0.254 4.272 4.527 -0.000 0.000 0.296 219 F C 2.522 178.000 175.800 -0.537 0.000 1.133 219 F CA 2.893 60.445 58.000 -0.747 0.000 1.188 219 F CB -1.189 37.278 39.000 -0.888 0.000 0.968 219 F HN -0.200 nan 8.300 nan 0.000 0.476 220 T N 0.364 114.715 114.554 -0.338 0.000 2.721 220 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 220 T C 1.420 175.919 174.700 -0.336 0.000 1.038 220 T CA 1.780 63.709 62.100 -0.286 0.000 1.145 220 T CB -0.424 68.414 68.868 -0.049 0.000 0.858 220 T HN 0.313 nan 8.240 nan 0.000 0.459 221 D N 0.411 120.608 120.400 -0.339 0.000 2.162 221 D HA -0.010 4.629 4.640 -0.000 0.000 0.203 221 D C 2.191 178.267 176.300 -0.372 0.000 0.967 221 D CA 0.695 54.520 54.000 -0.292 0.000 0.840 221 D CB -0.371 40.305 40.800 -0.207 0.000 0.972 221 D HN 0.334 nan 8.370 nan 0.000 0.482 222 E N 0.683 120.523 120.200 -0.600 0.000 2.077 222 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 222 E C 1.823 178.147 176.600 -0.460 0.000 0.989 222 E CA 0.853 56.875 56.400 -0.630 0.000 0.800 222 E CB -0.132 28.851 29.700 -1.194 0.000 0.746 222 E HN 0.230 nan 8.360 nan 0.000 0.452 223 L N -0.359 120.552 121.223 -0.521 0.000 2.616 223 L HA 0.130 4.470 4.340 -0.000 0.000 0.229 223 L C 0.319 176.987 176.870 -0.336 0.000 1.110 223 L CA 0.317 54.899 54.840 -0.430 0.000 0.884 223 L CB 0.161 41.887 42.059 -0.555 0.000 1.115 223 L HN 0.128 nan 8.230 nan 0.000 0.481 224 D N 1.214 121.425 120.400 -0.315 0.000 2.746 224 D HA -0.186 4.453 4.640 -0.000 0.000 0.236 224 D C 0.155 176.326 176.300 -0.215 0.000 1.129 224 D CA 0.428 54.290 54.000 -0.230 0.000 0.691 224 D CB -1.083 39.609 40.800 -0.179 0.000 1.077 224 D HN 0.128 nan 8.370 nan 0.000 0.432 225 L N -0.182 120.885 121.223 -0.260 0.000 2.472 225 L HA 0.085 4.424 4.340 -0.000 0.000 0.273 225 L C 1.623 178.395 176.870 -0.162 0.000 1.254 225 L CA 0.472 55.183 54.840 -0.214 0.000 0.823 225 L CB 0.170 42.073 42.059 -0.260 0.000 1.096 225 L HN 0.048 nan 8.230 nan 0.000 0.521 226 D N -0.133 120.227 120.400 -0.066 0.000 2.527 226 D HA 0.311 4.950 4.640 -0.000 0.000 0.224 226 D C 0.406 176.697 176.300 -0.015 0.000 1.217 226 D CA 0.330 54.336 54.000 0.010 0.000 0.819 226 D CB 1.627 42.515 40.800 0.147 0.000 1.061 226 D HN 0.716 nan 8.370 nan 0.000 0.515 227 G N 0.065 108.724 108.800 -0.234 0.000 2.324 227 G HA2 0.356 4.315 3.960 -0.000 0.000 0.293 227 G HA3 0.356 4.315 3.960 -0.000 0.000 0.293 227 G C -2.125 172.461 174.900 -0.524 0.000 1.297 227 G CA -0.921 43.852 45.100 -0.544 0.000 0.853 227 G HN 0.031 nan 8.290 nan 0.000 0.535 228 Y N -0.929 119.358 120.300 -0.021 0.000 2.581 228 Y HA 0.816 5.366 4.550 -0.000 0.000 0.345 228 Y C 0.265 176.151 175.900 -0.023 0.000 1.036 228 Y CA -1.241 56.919 58.100 0.099 0.000 1.042 228 Y CB 2.267 40.856 38.460 0.214 0.000 1.289 228 Y HN 0.491 nan 8.280 nan 0.000 0.471 229 R N 2.916 123.525 120.500 0.181 0.000 2.402 229 R HA 0.375 4.715 4.340 -0.000 0.000 0.290 229 R C -1.843 174.487 176.300 0.049 0.000 1.321 229 R CA -0.373 55.691 56.100 -0.060 0.000 1.283 229 R CB 0.042 30.082 30.300 -0.433 0.000 1.111 229 R HN 0.840 nan 8.270 nan 0.000 0.578 230 L N 3.532 124.767 121.223 0.020 0.000 2.500 230 L HA 0.071 4.411 4.340 -0.000 0.000 0.272 230 L C 0.603 177.476 176.870 0.004 0.000 1.149 230 L CA 0.091 54.925 54.840 -0.011 0.000 0.897 230 L CB 0.131 42.154 42.059 -0.061 0.000 1.178 230 L HN 0.435 nan 8.230 nan 0.000 0.473 231 D N 3.104 123.523 120.400 0.032 0.000 2.304 231 D HA 0.366 5.005 4.640 -0.000 0.000 0.247 231 D C 0.844 177.117 176.300 -0.045 0.000 1.089 231 D CA 0.408 54.433 54.000 0.042 0.000 0.910 231 D CB 1.286 42.176 40.800 0.150 0.000 1.199 231 D HN 0.685 nan 8.370 nan 0.000 0.426 232 A N 3.017 125.800 122.820 -0.061 0.000 2.723 232 A HA -0.251 4.069 4.320 -0.000 0.000 0.305 232 A C 1.656 179.125 177.584 -0.191 0.000 1.513 232 A CA 1.324 53.317 52.037 -0.074 0.000 0.925 232 A CB -2.341 16.709 19.000 0.083 0.000 0.956 232 A HN 0.779 nan 8.150 nan 0.000 0.508 233 I N -2.494 117.923 120.570 -0.256 0.000 3.102 233 I HA -0.201 3.969 4.170 -0.000 0.000 0.278 233 I C 1.663 177.480 176.117 -0.500 0.000 1.316 233 I CA 2.018 63.132 61.300 -0.311 0.000 1.425 233 I CB -0.482 37.343 38.000 -0.292 0.000 1.073 233 I HN 0.618 nan 8.210 nan 0.000 0.503 234 K N 0.237 120.153 120.400 -0.807 0.000 2.393 234 K HA 0.024 4.344 4.320 -0.000 0.000 0.193 234 K C 1.131 177.321 176.600 -0.684 0.000 1.026 234 K CA 0.375 55.999 56.287 -1.105 0.000 1.064 234 K CB -0.082 31.303 32.500 -1.858 0.000 0.833 234 K HN 0.453 nan 8.250 nan 0.000 0.521 235 H N 0.230 119.114 119.070 -0.310 0.000 2.705 235 H HA 0.302 4.858 4.556 -0.000 0.000 0.269 235 H C 0.041 175.310 175.328 -0.099 0.000 0.998 235 H CA -0.193 55.723 56.048 -0.220 0.000 1.193 235 H CB 0.670 30.272 29.762 -0.266 0.000 1.485 235 H HN 0.104 nan 8.280 nan 0.000 0.521 236 I N 4.721 125.280 120.570 -0.018 0.000 2.336 236 I HA 0.170 4.340 4.170 -0.000 0.000 0.292 236 I C -2.103 173.953 176.117 -0.102 0.000 0.991 236 I CA -2.156 59.081 61.300 -0.106 0.000 1.227 236 I CB 1.777 39.638 38.000 -0.231 0.000 1.366 236 I HN -0.233 nan 8.210 nan 0.000 0.466 237 P HA -0.137 nan 4.420 nan 0.000 0.257 237 P C 0.502 177.668 177.300 -0.223 0.000 1.162 237 P CA 0.338 63.259 63.100 -0.299 0.000 0.762 237 P CB 0.251 31.679 31.700 -0.454 0.000 0.753 238 F N 3.430 123.281 119.950 -0.165 0.000 2.091 238 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 238 F C 2.536 178.260 175.800 -0.127 0.000 1.103 238 F CA 0.723 58.688 58.000 -0.058 0.000 1.228 238 F CB -2.127 36.881 39.000 0.014 0.000 0.984 238 F HN 0.525 nan 8.300 nan 0.000 0.477 239 W N -0.155 121.253 121.300 0.180 0.000 2.321 239 W HA -0.329 4.330 4.660 -0.000 0.000 0.306 239 W C 2.312 178.892 176.519 0.101 0.000 1.217 239 W CA 1.423 58.834 57.345 0.110 0.000 1.257 239 W CB -2.041 27.491 29.460 0.120 0.000 1.145 239 W HN 0.182 nan 8.180 nan 0.000 0.509 240 Y N 2.889 122.695 120.300 -0.823 0.000 2.242 240 Y HA -0.173 4.377 4.550 -0.000 0.000 0.291 240 Y C 2.834 178.580 175.900 -0.257 0.000 1.137 240 Y CA 3.081 60.756 58.100 -0.708 0.000 1.181 240 Y CB -0.759 36.894 38.460 -1.346 0.000 0.989 240 Y HN -0.125 nan 8.280 nan 0.000 0.527 241 T N -1.160 113.198 114.554 -0.327 0.000 2.708 241 T HA -0.225 4.125 4.350 -0.000 0.000 0.266 241 T C 2.176 176.813 174.700 -0.105 0.000 1.037 241 T CA 1.661 63.643 62.100 -0.196 0.000 1.146 241 T CB -0.655 68.183 68.868 -0.051 0.000 0.865 241 T HN 0.384 nan 8.240 nan 0.000 0.435 242 S N 0.706 116.344 115.700 -0.104 0.000 2.370 242 S HA -0.178 4.292 4.470 -0.000 0.000 0.226 242 S C 1.768 176.342 174.600 -0.042 0.000 1.033 242 S CA 1.715 59.867 58.200 -0.079 0.000 1.011 242 S CB -0.576 62.582 63.200 -0.069 0.000 0.852 242 S HN 0.403 nan 8.310 nan 0.000 0.457 243 D N -0.150 120.227 120.400 -0.039 0.000 2.092 243 D HA -0.106 4.534 4.640 -0.000 0.000 0.193 243 D C 1.332 177.580 176.300 -0.087 0.000 0.994 243 D CA 1.365 55.353 54.000 -0.020 0.000 0.828 243 D CB -0.398 40.435 40.800 0.055 0.000 0.963 243 D HN 0.627 nan 8.370 nan 0.000 0.450 244 W N 0.852 121.866 121.300 -0.477 0.000 2.318 244 W HA -0.245 4.414 4.660 -0.000 0.000 0.313 244 W C 2.147 178.578 176.519 -0.146 0.000 1.221 244 W CA 1.435 58.554 57.345 -0.377 0.000 1.266 244 W CB -0.553 28.573 29.460 -0.556 0.000 1.150 244 W HN -0.174 nan 8.180 nan 0.000 0.496 245 V N 1.301 121.235 119.914 0.032 0.000 2.255 245 V HA -0.359 3.761 4.120 -0.000 0.000 0.247 245 V C 2.509 178.511 176.094 -0.153 0.000 1.051 245 V CA 2.502 64.768 62.300 -0.056 0.000 1.018 245 V CB -0.935 30.907 31.823 0.032 0.000 0.641 245 V HN 0.188 nan 8.190 nan 0.000 0.445 246 R N -0.798 119.647 120.500 -0.092 0.000 2.091 246 R HA -0.227 4.113 4.340 -0.000 0.000 0.238 246 R C 2.330 178.567 176.300 -0.104 0.000 1.136 246 R CA 2.019 58.073 56.100 -0.077 0.000 0.959 246 R CB -0.672 29.611 30.300 -0.028 0.000 0.856 246 R HN 0.669 nan 8.270 nan 0.000 0.437 247 H N 0.976 119.927 119.070 -0.198 0.000 2.319 247 H HA -0.103 4.452 4.556 -0.000 0.000 0.299 247 H C 2.104 177.262 175.328 -0.284 0.000 1.092 247 H CA 1.661 57.584 56.048 -0.209 0.000 1.302 247 H CB 0.047 29.681 29.762 -0.213 0.000 1.373 247 H HN 0.039 nan 8.280 nan 0.000 0.497 248 Q N 0.609 120.063 119.800 -0.576 0.000 2.061 248 Q HA -0.131 4.208 4.340 -0.000 0.000 0.204 248 Q C 2.579 178.364 176.000 -0.358 0.000 0.984 248 Q CA 1.597 57.037 55.803 -0.606 0.000 0.846 248 Q CB -0.350 27.893 28.738 -0.824 0.000 0.902 248 Q HN 0.516 nan 8.270 nan 0.000 0.421 249 R N 0.434 120.782 120.500 -0.254 0.000 2.120 249 R HA -0.059 4.280 4.340 -0.000 0.000 0.234 249 R C 2.067 178.265 176.300 -0.170 0.000 1.123 249 R CA 0.927 56.925 56.100 -0.169 0.000 0.975 249 R CB -0.164 30.064 30.300 -0.121 0.000 0.866 249 R HN 0.277 nan 8.270 nan 0.000 0.446 250 N N 0.638 119.217 118.700 -0.202 0.000 2.223 250 N HA -0.160 4.580 4.740 -0.000 0.000 0.185 250 N C 1.082 176.479 175.510 -0.189 0.000 1.016 250 N CA 1.142 54.090 53.050 -0.170 0.000 0.863 250 N CB 0.237 38.631 38.487 -0.156 0.000 0.983 250 N HN 0.228 nan 8.380 nan 0.000 0.429 251 E N 0.074 120.106 120.200 -0.280 0.000 2.318 251 E HA 0.109 4.459 4.350 -0.000 0.000 0.193 251 E C 0.241 176.746 176.600 -0.158 0.000 0.998 251 E CA 0.015 56.277 56.400 -0.230 0.000 0.859 251 E CB 0.158 29.669 29.700 -0.316 0.000 0.812 251 E HN 0.277 nan 8.360 nan 0.000 0.492 252 A N 1.316 124.041 122.820 -0.159 0.000 2.305 252 A HA 0.241 4.561 4.320 -0.000 0.000 0.322 252 A C 0.482 178.005 177.584 -0.101 0.000 1.187 252 A CA -0.579 51.383 52.037 -0.125 0.000 0.825 252 A CB 0.896 19.815 19.000 -0.135 0.000 1.164 252 A HN -0.181 nan 8.150 nan 0.000 0.498 253 D N 0.492 120.842 120.400 -0.084 0.000 2.103 253 D HA -0.081 4.559 4.640 -0.000 0.000 0.199 253 D C 1.019 177.278 176.300 -0.067 0.000 0.978 253 D CA 1.030 54.989 54.000 -0.067 0.000 0.829 253 D CB 0.009 40.775 40.800 -0.057 0.000 0.981 253 D HN 0.803 nan 8.370 nan 0.000 0.464 254 Q N 2.177 121.932 119.800 -0.076 0.000 2.474 254 Q HA -0.007 4.332 4.340 -0.000 0.000 0.256 254 Q C -0.193 175.761 176.000 -0.077 0.000 1.048 254 Q CA 0.235 55.995 55.803 -0.072 0.000 0.922 254 Q CB 0.867 29.556 28.738 -0.080 0.000 1.288 254 Q HN 0.089 nan 8.270 nan 0.000 0.484 255 D N 1.403 121.767 120.400 -0.059 0.000 2.363 255 D HA 0.315 4.955 4.640 -0.000 0.000 0.240 255 D C -0.190 176.059 176.300 -0.085 0.000 1.236 255 D CA 0.048 54.015 54.000 -0.054 0.000 0.927 255 D CB 0.658 41.446 40.800 -0.021 0.000 1.150 255 D HN 0.424 nan 8.370 nan 0.000 0.458 256 L N 1.617 122.779 121.223 -0.101 0.000 2.529 256 L HA 0.214 4.554 4.340 -0.000 0.000 0.260 256 L C -0.428 176.330 176.870 -0.186 0.000 0.997 256 L CA -0.816 53.905 54.840 -0.197 0.000 0.885 256 L CB 1.072 42.970 42.059 -0.268 0.000 1.185 256 L HN 0.244 nan 8.230 nan 0.000 0.442 257 F N 4.257 124.011 119.950 -0.326 0.000 2.506 257 F HA 0.416 4.942 4.527 -0.000 0.000 0.351 257 F C -0.142 175.422 175.800 -0.394 0.000 1.136 257 F CA 0.127 57.906 58.000 -0.368 0.000 1.298 257 F CB 0.912 39.552 39.000 -0.600 0.000 1.145 257 F HN 0.061 nan 8.300 nan 0.000 0.593 258 V N 7.481 126.574 119.914 -1.368 0.000 2.509 258 V HA 0.272 4.392 4.120 -0.000 0.000 0.289 258 V C -1.022 174.481 176.094 -0.984 0.000 1.026 258 V CA -0.864 60.931 62.300 -0.841 0.000 0.872 258 V CB 1.201 32.847 31.823 -0.295 0.000 1.017 258 V HN 0.726 nan 8.190 nan 0.000 0.436 259 V N 4.794 124.232 119.914 -0.794 0.000 2.398 259 V HA 0.934 5.053 4.120 -0.000 0.000 0.286 259 V C 0.516 176.359 176.094 -0.418 0.000 1.026 259 V CA 0.310 62.255 62.300 -0.591 0.000 0.868 259 V CB 1.460 32.944 31.823 -0.564 0.000 0.982 259 V HN 0.901 nan 8.190 nan 0.000 0.443 260 G N 4.146 112.768 108.800 -0.297 0.000 2.389 260 G HA2 0.451 4.411 3.960 -0.000 0.000 0.328 260 G HA3 0.451 4.411 3.960 -0.000 0.000 0.328 260 G C -0.630 174.245 174.900 -0.042 0.000 1.133 260 G CA -0.460 44.555 45.100 -0.141 0.000 0.891 260 G HN 0.790 nan 8.290 nan 0.000 0.485 261 E N 1.454 121.700 120.200 0.077 0.000 1.986 261 E HA 0.121 4.471 4.350 -0.000 0.000 0.264 261 E C -1.371 175.255 176.600 0.043 0.000 1.023 261 E CA -0.626 55.917 56.400 0.238 0.000 0.834 261 E CB 0.568 30.416 29.700 0.246 0.000 1.111 261 E HN 0.418 nan 8.360 nan 0.000 0.417 262 Y N 5.531 125.760 120.300 -0.119 0.000 2.804 262 Y HA 0.120 4.670 4.550 -0.000 0.000 0.330 262 Y C -0.711 175.122 175.900 -0.112 0.000 1.092 262 Y CA -1.029 56.895 58.100 -0.293 0.000 1.315 262 Y CB 0.290 38.423 38.460 -0.545 0.000 1.188 262 Y HN 0.537 nan 8.280 nan 0.000 0.512 263 W N 8.578 129.771 121.300 -0.178 0.000 2.429 263 W HA 0.277 4.937 4.660 -0.000 0.000 0.431 263 W C -0.921 175.588 176.519 -0.016 0.000 1.038 263 W CA -0.129 57.183 57.345 -0.055 0.000 1.635 263 W CB 0.090 29.484 29.460 -0.111 0.000 1.721 263 W HN 0.493 nan 8.180 nan 0.000 0.366 264 K N 3.719 124.035 120.400 -0.140 0.000 2.565 264 K HA 0.027 4.346 4.320 -0.000 0.000 0.251 264 K C -0.759 175.735 176.600 -0.176 0.000 0.956 264 K CA -0.555 55.682 56.287 -0.083 0.000 0.809 264 K CB 1.096 33.662 32.500 0.109 0.000 1.267 264 K HN 0.011 nan 8.250 nan 0.000 0.438 265 D N 3.341 123.602 120.400 -0.233 0.000 2.600 265 D HA 0.048 4.687 4.640 -0.000 0.000 0.226 265 D C -1.239 174.986 176.300 -0.125 0.000 1.119 265 D CA 0.567 54.437 54.000 -0.217 0.000 1.051 265 D CB 0.128 40.658 40.800 -0.451 0.000 1.106 265 D HN 0.430 nan 8.370 nan 0.000 0.491 266 D N 2.462 122.811 120.400 -0.086 0.000 2.369 266 D HA -0.069 4.570 4.640 -0.000 0.000 0.212 266 D C 0.588 176.857 176.300 -0.052 0.000 1.326 266 D CA -0.496 53.473 54.000 -0.052 0.000 0.933 266 D CB 1.200 41.980 40.800 -0.032 0.000 1.516 266 D HN 0.099 nan 8.370 nan 0.000 0.557 267 V N 4.016 123.912 119.914 -0.031 0.000 2.515 267 V HA 0.003 4.123 4.120 -0.000 0.000 0.250 267 V C 1.996 178.093 176.094 0.005 0.000 1.058 267 V CA 2.756 65.050 62.300 -0.010 0.000 1.064 267 V CB -0.152 31.683 31.823 0.020 0.000 0.675 267 V HN 0.628 nan 8.190 nan 0.000 0.461 268 G N -0.432 108.378 108.800 0.018 0.000 2.446 268 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 268 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 268 G C 1.809 176.721 174.900 0.020 0.000 1.168 268 G CA 1.084 46.214 45.100 0.050 0.000 0.771 268 G HN 0.752 nan 8.290 nan 0.000 0.551 269 A N 0.388 123.179 122.820 -0.049 0.000 1.892 269 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 269 A C 2.375 179.715 177.584 -0.406 0.000 1.188 269 A CA 1.769 53.704 52.037 -0.170 0.000 0.631 269 A CB -0.448 18.482 19.000 -0.117 0.000 0.822 269 A HN 0.302 nan 8.150 nan 0.000 0.447 270 L N -0.207 120.791 121.223 -0.375 0.000 2.093 270 L HA -0.135 4.204 4.340 -0.000 0.000 0.208 270 L C 2.389 179.070 176.870 -0.315 0.000 1.085 270 L CA 1.995 56.567 54.840 -0.447 0.000 0.755 270 L CB -0.967 40.951 42.059 -0.236 0.000 0.904 270 L HN 0.476 nan 8.230 nan 0.000 0.435 271 E N -1.045 119.064 120.200 -0.151 0.000 2.051 271 E HA -0.268 4.082 4.350 -0.000 0.000 0.192 271 E C 2.176 178.666 176.600 -0.184 0.000 0.991 271 E CA 1.387 57.709 56.400 -0.130 0.000 0.799 271 E CB -0.336 29.431 29.700 0.112 0.000 0.748 271 E HN 0.428 nan 8.360 nan 0.000 0.449 272 F N 0.535 120.354 119.950 -0.218 0.000 2.065 272 F HA -0.355 4.172 4.527 -0.000 0.000 0.298 272 F C 2.407 178.028 175.800 -0.298 0.000 1.112 272 F CA 1.620 59.516 58.000 -0.174 0.000 1.212 272 F CB -0.216 38.739 39.000 -0.075 0.000 0.975 272 F HN 0.046 nan 8.300 nan 0.000 0.476 273 Y N 0.959 121.155 120.300 -0.172 0.000 2.207 273 Y HA -0.226 4.323 4.550 -0.000 0.000 0.287 273 Y C 1.946 177.503 175.900 -0.571 0.000 1.156 273 Y CA 1.791 59.590 58.100 -0.501 0.000 1.182 273 Y CB -0.479 37.407 38.460 -0.955 0.000 0.979 273 Y HN 0.101 nan 8.280 nan 0.000 0.521 274 L N -0.344 120.447 121.223 -0.721 0.000 2.376 274 L HA -0.162 4.178 4.340 -0.000 0.000 0.219 274 L C 1.866 177.882 176.870 -1.424 0.000 1.133 274 L CA 0.837 54.917 54.840 -1.266 0.000 0.816 274 L CB -0.415 40.480 42.059 -1.940 0.000 0.933 274 L HN 0.209 nan 8.230 nan 0.000 0.449 275 D N 0.031 119.919 120.400 -0.854 0.000 2.085 275 D HA -0.148 4.492 4.640 -0.000 0.000 0.199 275 D C 2.055 178.118 176.300 -0.393 0.000 0.981 275 D CA 1.046 54.764 54.000 -0.471 0.000 0.834 275 D CB 0.015 40.627 40.800 -0.314 0.000 0.992 275 D HN 0.225 nan 8.370 nan 0.000 0.457 276 E N 0.196 120.178 120.200 -0.363 0.000 2.267 276 E HA -0.131 4.219 4.350 -0.000 0.000 0.197 276 E C 1.926 178.322 176.600 -0.340 0.000 0.998 276 E CA 0.573 56.828 56.400 -0.242 0.000 0.830 276 E CB -0.145 29.512 29.700 -0.071 0.000 0.751 276 E HN 0.324 nan 8.360 nan 0.000 0.491 277 M N -0.049 119.214 119.600 -0.562 0.000 2.447 277 M HA -0.001 4.479 4.480 -0.000 0.000 0.264 277 M C 0.447 176.538 176.300 -0.350 0.000 1.095 277 M CA 0.402 55.390 55.300 -0.519 0.000 1.125 277 M CB -1.100 31.091 32.600 -0.682 0.000 1.389 277 M HN 0.056 nan 8.290 nan 0.000 0.459 278 N N -0.096 118.393 118.700 -0.351 0.000 2.783 278 N HA -0.200 4.540 4.740 -0.000 0.000 0.247 278 N C -1.348 174.137 175.510 -0.042 0.000 1.089 278 N CA 0.640 53.625 53.050 -0.108 0.000 0.690 278 N CB -1.657 36.799 38.487 -0.052 0.000 0.991 278 N HN 0.411 nan 8.380 nan 0.000 0.552 279 W N -0.910 120.187 121.300 -0.339 0.000 7.467 279 W HA -0.245 4.415 4.660 -0.000 0.000 0.416 279 W C 0.566 176.854 176.519 -0.384 0.000 1.623 279 W CA 0.809 57.828 57.345 -0.544 0.000 1.204 279 W CB -2.044 26.936 29.460 -0.800 0.000 2.836 279 W HN 0.460 nan 8.180 nan 0.000 1.656 280 E N -0.209 119.902 120.200 -0.148 0.000 2.437 280 E HA 0.220 4.570 4.350 -0.000 0.000 0.195 280 E C 0.865 177.406 176.600 -0.100 0.000 1.029 280 E CA 0.302 56.656 56.400 -0.076 0.000 0.948 280 E CB -0.126 29.526 29.700 -0.081 0.000 1.082 280 E HN 0.492 nan 8.360 nan 0.000 0.456 281 M N -3.200 116.329 119.600 -0.119 0.000 2.853 281 M HA 0.421 4.900 4.480 -0.000 0.000 0.273 281 M C -1.247 175.013 176.300 -0.067 0.000 1.128 281 M CA -0.876 54.328 55.300 -0.161 0.000 0.814 281 M CB 1.649 34.131 32.600 -0.197 0.000 1.667 281 M HN -0.302 nan 8.290 nan 0.000 0.519 282 S N 0.930 116.572 115.700 -0.097 0.000 2.745 282 S HA 0.909 5.379 4.470 -0.000 0.000 0.292 282 S C -0.800 173.751 174.600 -0.081 0.000 1.133 282 S CA -0.873 57.363 58.200 0.060 0.000 0.998 282 S CB 1.325 64.646 63.200 0.201 0.000 1.087 282 S HN 0.586 nan 8.310 nan 0.000 0.551 283 L N 0.929 122.136 121.223 -0.026 0.000 2.409 283 L HA 0.525 4.865 4.340 -0.000 0.000 0.262 283 L C -1.272 175.598 176.870 0.000 0.000 0.992 283 L CA -0.787 54.006 54.840 -0.078 0.000 0.817 283 L CB 1.295 43.334 42.059 -0.033 0.000 1.350 283 L HN 0.527 nan 8.230 nan 0.000 0.411 284 F N 1.028 121.048 119.950 0.117 0.000 2.578 284 F HA -0.040 4.486 4.527 -0.000 0.000 0.381 284 F C 1.223 177.185 175.800 0.269 0.000 1.069 284 F CA 0.013 58.166 58.000 0.254 0.000 1.231 284 F CB 0.049 39.143 39.000 0.155 0.000 1.086 284 F HN 0.389 nan 8.300 nan 0.000 0.564 285 D N 4.383 125.054 120.400 0.452 0.000 2.540 285 D HA 0.007 4.647 4.640 -0.000 0.000 0.237 285 D C 1.163 177.436 176.300 -0.044 0.000 1.181 285 D CA 0.223 54.292 54.000 0.115 0.000 1.119 285 D CB 0.280 41.068 40.800 -0.020 0.000 1.119 285 D HN 0.328 nan 8.370 nan 0.000 0.498 286 V N 3.990 123.889 119.914 -0.025 0.000 2.490 286 V HA -0.140 3.980 4.120 -0.000 0.000 0.250 286 V C -0.770 175.192 176.094 -0.219 0.000 1.061 286 V CA 1.218 63.353 62.300 -0.275 0.000 1.064 286 V CB -0.908 30.577 31.823 -0.563 0.000 0.670 286 V HN 0.419 nan 8.190 nan 0.000 0.461 287 P HA -0.091 nan 4.420 nan 0.000 0.217 287 P C 1.921 179.108 177.300 -0.188 0.000 1.151 287 P CA 0.830 63.872 63.100 -0.097 0.000 0.828 287 P CB 0.003 31.649 31.700 -0.089 0.000 0.788 288 L N 0.371 121.394 121.223 -0.333 0.000 2.042 288 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 288 L C 2.054 178.457 176.870 -0.779 0.000 1.076 288 L CA 1.975 56.457 54.840 -0.597 0.000 0.749 288 L CB -1.729 39.940 42.059 -0.651 0.000 0.893 288 L HN -0.097 nan 8.230 nan 0.000 0.432 289 N N -1.516 116.773 118.700 -0.684 0.000 2.060 289 N HA -0.307 4.432 4.740 -0.000 0.000 0.195 289 N C 1.764 177.030 175.510 -0.408 0.000 1.028 289 N CA 2.130 54.821 53.050 -0.598 0.000 0.861 289 N CB -0.379 37.757 38.487 -0.586 0.000 1.029 289 N HN 0.480 nan 8.380 nan 0.000 0.428 290 Y N -0.053 120.146 120.300 -0.169 0.000 2.516 290 Y HA 0.109 4.659 4.550 -0.000 0.000 0.291 290 Y C 2.108 177.999 175.900 -0.015 0.000 1.131 290 Y CA 0.373 58.467 58.100 -0.009 0.000 1.281 290 Y CB -0.168 38.275 38.460 -0.028 0.000 1.013 290 Y HN 0.189 nan 8.280 nan 0.000 0.554 291 N N -0.350 118.317 118.700 -0.056 0.000 2.109 291 N HA -0.147 4.593 4.740 -0.000 0.000 0.188 291 N C 1.611 177.056 175.510 -0.109 0.000 1.034 291 N CA 1.289 54.301 53.050 -0.063 0.000 0.846 291 N CB -0.557 37.826 38.487 -0.173 0.000 1.010 291 N HN 0.149 nan 8.380 nan 0.000 0.425 292 F N 0.797 120.655 119.950 -0.153 0.000 2.091 292 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 292 F C 2.357 177.930 175.800 -0.377 0.000 1.103 292 F CA 0.550 58.404 58.000 -0.244 0.000 1.228 292 F CB -1.445 37.480 39.000 -0.124 0.000 0.984 292 F HN 0.117 nan 8.300 nan 0.000 0.477 293 Y N 1.137 121.374 120.300 -0.105 0.000 2.081 293 Y HA -0.272 4.278 4.550 -0.000 0.000 0.280 293 Y C 2.642 178.444 175.900 -0.163 0.000 1.163 293 Y CA 1.839 59.867 58.100 -0.122 0.000 1.135 293 Y CB -0.627 37.807 38.460 -0.043 0.000 0.970 293 Y HN -0.061 nan 8.280 nan 0.000 0.498 294 R N -0.268 120.118 120.500 -0.190 0.000 2.091 294 R HA -0.190 4.150 4.340 -0.000 0.000 0.238 294 R C 2.520 178.508 176.300 -0.521 0.000 1.136 294 R CA 1.321 57.267 56.100 -0.256 0.000 0.959 294 R CB -0.691 29.619 30.300 0.015 0.000 0.856 294 R HN 0.462 nan 8.270 nan 0.000 0.437 295 A N 0.065 122.287 122.820 -0.995 0.000 1.933 295 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 295 A C 2.158 179.181 177.584 -0.935 0.000 1.175 295 A CA 1.894 53.066 52.037 -1.441 0.000 0.628 295 A CB -0.609 17.228 19.000 -1.938 0.000 0.814 295 A HN 0.340 nan 8.150 nan 0.000 0.444 296 S N -1.160 113.997 115.700 -0.905 0.000 2.368 296 S HA -0.171 4.299 4.470 -0.000 0.000 0.224 296 S C 2.164 176.730 174.600 -0.055 0.000 1.029 296 S CA 1.508 59.407 58.200 -0.501 0.000 0.988 296 S CB -0.332 62.613 63.200 -0.425 0.000 0.838 296 S HN 0.587 nan 8.310 nan 0.000 0.462 297 Q N 0.756 120.399 119.800 -0.261 0.000 2.049 297 Q HA -0.077 4.263 4.340 -0.000 0.000 0.198 297 Q C 2.284 178.267 176.000 -0.028 0.000 0.971 297 Q CA 1.340 57.045 55.803 -0.163 0.000 0.833 297 Q CB -0.700 27.822 28.738 -0.359 0.000 0.896 297 Q HN 0.739 nan 8.270 nan 0.000 0.434 298 Q N -0.170 119.607 119.800 -0.039 0.000 2.119 298 Q HA -0.031 4.309 4.340 -0.000 0.000 0.201 298 Q C 0.547 176.622 176.000 0.124 0.000 0.972 298 Q CA 1.202 57.040 55.803 0.058 0.000 0.847 298 Q CB 0.170 28.977 28.738 0.115 0.000 0.903 298 Q HN 0.381 nan 8.270 nan 0.000 0.433 299 G N -1.811 107.119 108.800 0.217 0.000 2.445 299 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.212 299 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.212 299 G C 0.484 175.588 174.900 0.341 0.000 1.217 299 G CA -0.120 45.124 45.100 0.241 0.000 1.002 299 G HN 0.439 nan 8.290 nan 0.000 0.574 300 G N 0.031 108.965 108.800 0.223 0.000 2.464 300 G HA2 0.256 4.215 3.960 -0.000 0.000 0.217 300 G HA3 0.256 4.215 3.960 -0.000 0.000 0.217 300 G C 2.217 177.296 174.900 0.299 0.000 1.138 300 G CA 2.184 47.457 45.100 0.289 0.000 0.793 300 G HN 2.001 nan 8.290 nan 0.000 0.539 301 S N -0.408 115.430 115.700 0.230 0.000 2.400 301 S HA -0.119 4.351 4.470 -0.000 0.000 0.232 301 S C 1.174 175.912 174.600 0.230 0.000 1.025 301 S CA 0.108 58.426 58.200 0.197 0.000 0.993 301 S CB -0.599 62.680 63.200 0.132 0.000 0.808 301 S HN 0.365 nan 8.310 nan 0.000 0.478 302 Y N 3.635 124.023 120.300 0.148 0.000 2.717 302 Y HA 0.135 4.684 4.550 -0.000 0.000 0.330 302 Y C 0.273 176.292 175.900 0.198 0.000 1.217 302 Y CA -0.255 57.926 58.100 0.135 0.000 1.506 302 Y CB 0.221 38.743 38.460 0.104 0.000 1.268 302 Y HN 0.149 nan 8.280 nan 0.000 0.561 303 D N 7.447 127.717 120.400 -0.216 0.000 2.374 303 D HA -0.009 4.631 4.640 -0.000 0.000 0.240 303 D C 0.898 177.191 176.300 -0.011 0.000 1.229 303 D CA -0.120 53.864 54.000 -0.026 0.000 0.895 303 D CB 0.583 41.333 40.800 -0.083 0.000 1.046 303 D HN 0.704 nan 8.370 nan 0.000 0.498 304 M N 3.116 122.899 119.600 0.306 0.000 2.521 304 M HA -0.150 4.330 4.480 -0.000 0.000 0.260 304 M C 1.601 178.146 176.300 0.410 0.000 1.068 304 M CA 0.963 56.527 55.300 0.441 0.000 1.060 304 M CB -0.436 32.445 32.600 0.468 0.000 1.398 304 M HN 0.402 nan 8.290 nan 0.000 0.473 305 R N -0.252 120.424 120.500 0.294 0.000 2.148 305 R HA -0.055 4.285 4.340 -0.000 0.000 0.223 305 R C 0.946 177.327 176.300 0.134 0.000 1.088 305 R CA 0.963 57.240 56.100 0.294 0.000 0.985 305 R CB -0.208 30.235 30.300 0.239 0.000 0.880 305 R HN 0.554 nan 8.270 nan 0.000 0.451 306 N N 0.254 118.978 118.700 0.040 0.000 2.276 306 N HA 0.017 4.757 4.740 -0.000 0.000 0.212 306 N C 0.938 176.475 175.510 0.045 0.000 1.127 306 N CA -0.281 52.750 53.050 -0.031 0.000 0.834 306 N CB 0.348 38.767 38.487 -0.113 0.000 1.014 306 N HN 0.052 nan 8.380 nan 0.000 0.491 307 I N 0.613 121.296 120.570 0.188 0.000 2.286 307 I HA -0.149 4.021 4.170 -0.000 0.000 0.248 307 I C 1.300 177.472 176.117 0.093 0.000 1.115 307 I CA 1.488 62.992 61.300 0.341 0.000 1.392 307 I CB 0.182 38.507 38.000 0.542 0.000 1.065 307 I HN 0.239 nan 8.210 nan 0.000 0.418 308 L N -0.110 121.055 121.223 -0.097 0.000 2.585 308 L HA 0.144 4.484 4.340 -0.000 0.000 0.226 308 L C 1.079 177.841 176.870 -0.180 0.000 1.113 308 L CA -0.169 54.546 54.840 -0.208 0.000 0.876 308 L CB -0.227 41.592 42.059 -0.401 0.000 1.072 308 L HN 0.085 nan 8.230 nan 0.000 0.468 309 R N 0.415 120.836 120.500 -0.133 0.000 2.421 309 R HA 0.215 4.555 4.340 -0.000 0.000 0.305 309 R C 1.046 177.302 176.300 -0.074 0.000 1.039 309 R CA 1.138 57.177 56.100 -0.101 0.000 1.003 309 R CB 0.272 30.529 30.300 -0.072 0.000 0.959 309 R HN 0.272 nan 8.270 nan 0.000 0.427 310 G N 2.407 111.163 108.800 -0.074 0.000 2.284 310 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.230 310 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.230 310 G C 0.061 174.920 174.900 -0.069 0.000 1.021 310 G CA 0.153 45.220 45.100 -0.056 0.000 0.619 310 G HN 0.869 nan 8.290 nan 0.000 0.510 311 S N 0.430 116.067 115.700 -0.106 0.000 2.569 311 S HA 0.445 4.915 4.470 -0.000 0.000 0.274 311 S C 1.482 176.043 174.600 -0.065 0.000 1.353 311 S CA 0.459 58.583 58.200 -0.126 0.000 1.023 311 S CB 1.498 64.588 63.200 -0.183 0.000 0.876 311 S HN 1.341 nan 8.310 nan 0.000 0.540 312 L N 2.733 123.936 121.223 -0.033 0.000 2.095 312 L HA 0.080 4.419 4.340 -0.000 0.000 0.204 312 L C 2.455 179.361 176.870 0.059 0.000 1.080 312 L CA 1.509 56.384 54.840 0.059 0.000 0.759 312 L CB -0.822 41.290 42.059 0.088 0.000 0.914 312 L HN 0.713 nan 8.230 nan 0.000 0.439 313 V N 0.198 120.115 119.914 0.006 0.000 2.380 313 V HA -0.349 3.771 4.120 -0.000 0.000 0.251 313 V C 2.580 178.637 176.094 -0.062 0.000 1.063 313 V CA 2.393 64.687 62.300 -0.009 0.000 1.055 313 V CB -0.422 31.379 31.823 -0.037 0.000 0.657 313 V HN 0.790 nan 8.190 nan 0.000 0.455 314 E N -0.225 119.915 120.200 -0.101 0.000 2.038 314 E HA -0.220 4.129 4.350 -0.000 0.000 0.195 314 E C 2.125 178.633 176.600 -0.154 0.000 1.000 314 E CA 1.714 58.029 56.400 -0.141 0.000 0.803 314 E CB -0.364 29.244 29.700 -0.155 0.000 0.750 314 E HN 0.668 nan 8.360 nan 0.000 0.448 315 A N 0.447 123.173 122.820 -0.157 0.000 1.872 315 A HA -0.069 4.251 4.320 -0.000 0.000 0.214 315 A C 0.805 178.027 177.584 -0.604 0.000 1.187 315 A CA 1.061 52.890 52.037 -0.347 0.000 0.614 315 A CB -0.107 18.733 19.000 -0.266 0.000 0.826 315 A HN 0.408 nan 8.150 nan 0.000 0.442 316 H N -1.037 118.047 119.070 0.023 0.000 2.429 316 H HA 0.196 4.752 4.556 -0.000 0.000 0.231 316 H C -2.393 172.951 175.328 0.026 0.000 1.416 316 H CA -1.340 54.728 56.048 0.033 0.000 1.443 316 H CB 0.571 30.446 29.762 0.188 0.000 1.591 316 H HN 0.357 nan 8.280 nan 0.000 0.507 317 P HA -0.068 nan 4.420 nan 0.000 0.251 317 P C 0.983 178.267 177.300 -0.026 0.000 1.251 317 P CA 0.546 63.644 63.100 -0.004 0.000 0.763 317 P CB 0.299 31.966 31.700 -0.056 0.000 1.067 318 M N -1.285 118.269 119.600 -0.077 0.000 2.421 318 M HA 0.130 4.609 4.480 -0.000 0.000 0.258 318 M C 0.734 176.816 176.300 -0.362 0.000 1.122 318 M CA 0.777 55.925 55.300 -0.253 0.000 1.078 318 M CB 0.084 32.442 32.600 -0.404 0.000 1.380 318 M HN -0.110 nan 8.290 nan 0.000 0.499 319 H N -0.593 118.595 119.070 0.196 0.000 2.528 319 H HA 0.681 5.237 4.556 -0.000 0.000 0.256 319 H C -0.875 174.567 175.328 0.191 0.000 1.204 319 H CA -0.150 56.031 56.048 0.222 0.000 0.955 319 H CB -0.064 29.906 29.762 0.347 0.000 1.817 319 H HN 0.184 nan 8.280 nan 0.000 0.579 320 A N 0.716 123.674 122.820 0.229 0.000 2.386 320 A HA 0.624 4.944 4.320 -0.000 0.000 0.311 320 A C -0.643 177.077 177.584 0.228 0.000 1.068 320 A CA -0.607 51.549 52.037 0.198 0.000 0.743 320 A CB 1.853 20.944 19.000 0.151 0.000 1.258 320 A HN 0.103 nan 8.150 nan 0.000 0.429 321 V N 2.858 122.907 119.914 0.224 0.000 2.340 321 V HA 0.352 4.471 4.120 -0.000 0.000 0.277 321 V C 0.270 176.617 176.094 0.421 0.000 1.017 321 V CA -0.227 62.230 62.300 0.262 0.000 0.820 321 V CB 1.315 33.173 31.823 0.059 0.000 1.028 321 V HN 1.078 nan 8.190 nan 0.000 0.436 322 T N 2.662 117.411 114.554 0.325 0.000 2.897 322 T HA 0.775 5.125 4.350 -0.000 0.000 0.294 322 T C -0.546 174.386 174.700 0.386 0.000 1.004 322 T CA -0.275 61.977 62.100 0.253 0.000 1.106 322 T CB 1.103 70.048 68.868 0.128 0.000 0.949 322 T HN 0.649 nan 8.240 nan 0.000 0.520 323 F N -0.806 119.255 119.950 0.184 0.000 2.741 323 F HA 0.662 5.188 4.527 -0.000 0.000 0.313 323 F C -0.194 175.657 175.800 0.084 0.000 1.153 323 F CA -1.496 56.588 58.000 0.140 0.000 0.931 323 F CB 0.554 39.657 39.000 0.173 0.000 1.335 323 F HN 0.243 nan 8.300 nan 0.000 0.460 324 V N -0.897 119.022 119.914 0.008 0.000 3.048 324 V HA 0.322 4.441 4.120 -0.000 0.000 0.241 324 V C -0.391 175.738 176.094 0.058 0.000 1.129 324 V CA 0.808 63.024 62.300 -0.140 0.000 1.128 324 V CB -0.154 31.289 31.823 -0.634 0.000 0.849 324 V HN 0.803 nan 8.190 nan 0.000 0.475 325 D N -0.647 119.882 120.400 0.215 0.000 2.671 325 D HA 0.407 5.047 4.640 -0.000 0.000 0.273 325 D C -1.477 174.530 176.300 -0.488 0.000 1.264 325 D CA -0.248 53.800 54.000 0.079 0.000 0.788 325 D CB 2.336 43.191 40.800 0.091 0.000 1.324 325 D HN 0.410 nan 8.370 nan 0.000 0.424 326 N N -1.899 116.352 118.700 -0.748 0.000 3.344 326 N HA 0.128 4.868 4.740 -0.000 0.000 0.296 326 N C 0.866 175.973 175.510 -0.673 0.000 1.571 326 N CA -0.529 51.813 53.050 -1.181 0.000 0.844 326 N CB 0.175 38.326 38.487 -0.560 0.000 1.718 326 N HN 0.383 nan 8.380 nan 0.000 0.589 327 H N -1.344 117.531 119.070 -0.324 0.000 2.457 327 H HA -0.020 4.536 4.556 -0.000 0.000 0.297 327 H C -0.280 174.972 175.328 -0.127 0.000 1.092 327 H CA 1.553 57.648 56.048 0.078 0.000 1.309 327 H CB -0.272 29.727 29.762 0.395 0.000 1.382 327 H HN 0.554 nan 8.280 nan 0.000 0.535 328 D N 0.842 120.696 120.400 -0.910 0.000 2.213 328 D HA -0.068 4.572 4.640 -0.000 0.000 0.205 328 D C 1.997 177.964 176.300 -0.555 0.000 0.961 328 D CA 2.061 55.548 54.000 -0.854 0.000 0.853 328 D CB -0.008 40.126 40.800 -1.110 0.000 0.967 328 D HN 0.647 nan 8.370 nan 0.000 0.496 329 T N -1.115 113.208 114.554 -0.385 0.000 3.065 329 T HA -0.022 4.328 4.350 -0.000 0.000 0.252 329 T C 1.089 175.822 174.700 0.055 0.000 1.099 329 T CA -0.314 61.707 62.100 -0.132 0.000 1.063 329 T CB -0.048 68.827 68.868 0.013 0.000 0.948 329 T HN 0.181 nan 8.240 nan 0.000 0.506 330 Q N 1.597 121.396 119.800 -0.001 0.000 2.421 330 Q HA 0.287 4.627 4.340 -0.000 0.000 0.255 330 Q C -2.709 173.139 176.000 -0.254 0.000 1.013 330 Q CA -2.121 53.594 55.803 -0.146 0.000 0.895 330 Q CB -0.444 28.223 28.738 -0.118 0.000 1.271 330 Q HN 0.063 nan 8.270 nan 0.000 0.460 331 P HA -0.129 nan 4.420 nan 0.000 0.259 331 P C 0.545 177.753 177.300 -0.154 0.000 1.155 331 P CA 2.071 65.012 63.100 -0.265 0.000 0.759 331 P CB 0.068 31.548 31.700 -0.366 0.000 0.753 332 G N 1.616 110.351 108.800 -0.109 0.000 2.225 332 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.254 332 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.254 332 G C 0.370 175.166 174.900 -0.173 0.000 0.988 332 G CA -0.147 44.895 45.100 -0.097 0.000 0.625 332 G HN 0.493 nan 8.290 nan 0.000 0.527 333 E N 0.611 120.649 120.200 -0.270 0.000 2.385 333 E HA 0.487 4.836 4.350 -0.000 0.000 0.254 333 E C 1.996 178.379 176.600 -0.362 0.000 1.228 333 E CA 0.292 56.422 56.400 -0.450 0.000 0.956 333 E CB 0.527 29.846 29.700 -0.636 0.000 1.116 333 E HN 0.435 nan 8.360 nan 0.000 0.507 334 S N 0.038 115.472 115.700 -0.443 0.000 2.359 334 S HA -0.153 4.317 4.470 -0.000 0.000 0.224 334 S C 1.436 175.860 174.600 -0.293 0.000 1.035 334 S CA 1.142 59.138 58.200 -0.341 0.000 1.018 334 S CB -0.268 62.705 63.200 -0.380 0.000 0.876 334 S HN 0.444 nan 8.310 nan 0.000 0.448 335 L N 1.800 122.785 121.223 -0.396 0.000 3.034 335 L HA 0.408 4.748 4.340 -0.000 0.000 0.245 335 L C 0.482 177.251 176.870 -0.170 0.000 1.295 335 L CA -0.343 54.317 54.840 -0.301 0.000 1.068 335 L CB -0.369 41.253 42.059 -0.728 0.000 1.426 335 L HN 0.393 nan 8.230 nan 0.000 0.531 336 E N 2.042 122.146 120.200 -0.160 0.000 2.608 336 E HA -0.065 4.285 4.350 -0.000 0.000 0.259 336 E C 0.063 176.569 176.600 -0.157 0.000 0.951 336 E CA 0.670 57.005 56.400 -0.109 0.000 0.945 336 E CB 0.502 30.161 29.700 -0.068 0.000 0.916 336 E HN 0.414 nan 8.360 nan 0.000 0.477 337 S N 4.291 119.865 115.700 -0.210 0.000 2.565 337 S HA 0.013 4.483 4.470 -0.000 0.000 0.207 337 S C -0.577 173.949 174.600 -0.124 0.000 0.769 337 S CA -0.832 56.897 58.200 -0.785 0.000 0.945 337 S CB -0.741 61.943 63.200 -0.861 0.000 1.653 337 S HN 0.626 nan 8.310 nan 0.000 0.509 338 W N 2.646 123.951 121.300 0.008 0.000 2.347 338 W HA 0.336 4.996 4.660 -0.000 0.000 0.333 338 W C -0.746 175.934 176.519 0.268 0.000 1.383 338 W CA 0.072 57.511 57.345 0.156 0.000 1.283 338 W CB 0.701 30.253 29.460 0.152 0.000 1.253 338 W HN 0.181 nan 8.180 nan 0.000 0.563 339 V N 7.591 127.286 119.914 -0.366 0.000 2.488 339 V HA 0.192 4.312 4.120 -0.000 0.000 0.277 339 V C 0.985 176.774 176.094 -0.507 0.000 1.046 339 V CA -0.560 61.540 62.300 -0.333 0.000 0.986 339 V CB 0.319 31.944 31.823 -0.330 0.000 0.989 339 V HN 0.624 nan 8.190 nan 0.000 0.475 340 A N 3.688 126.402 122.820 -0.176 0.000 2.448 340 A HA 0.141 4.461 4.320 -0.000 0.000 0.239 340 A C 1.263 178.828 177.584 -0.031 0.000 1.080 340 A CA -0.173 51.881 52.037 0.028 0.000 0.779 340 A CB -0.023 19.157 19.000 0.299 0.000 1.026 340 A HN 0.883 nan 8.150 nan 0.000 0.499 341 D N 0.373 120.856 120.400 0.138 0.000 2.149 341 D HA -0.200 4.440 4.640 -0.000 0.000 0.194 341 D C 1.854 178.225 176.300 0.118 0.000 1.001 341 D CA 2.117 56.188 54.000 0.119 0.000 0.849 341 D CB -0.239 40.666 40.800 0.176 0.000 0.939 341 D HN 0.851 nan 8.370 nan 0.000 0.449 342 W N 0.072 121.404 121.300 0.053 0.000 2.358 342 W HA -0.144 4.515 4.660 -0.000 0.000 0.303 342 W C 1.777 178.326 176.519 0.050 0.000 1.208 342 W CA 0.269 57.644 57.345 0.050 0.000 1.274 342 W CB -1.419 28.085 29.460 0.073 0.000 1.138 342 W HN -0.040 nan 8.180 nan 0.000 0.515 343 F N 2.419 121.720 119.950 -1.081 0.000 2.664 343 F HA 0.122 4.649 4.527 -0.000 0.000 0.296 343 F C 2.623 178.064 175.800 -0.599 0.000 1.125 343 F CA 1.416 58.755 58.000 -1.102 0.000 1.444 343 F CB -0.368 37.711 39.000 -1.534 0.000 1.114 343 F HN -0.216 nan 8.300 nan 0.000 0.576 344 K N 0.652 120.847 120.400 -0.341 0.000 2.211 344 K HA -0.130 4.190 4.320 -0.000 0.000 0.204 344 K C -1.143 175.350 176.600 -0.177 0.000 1.047 344 K CA 1.532 57.666 56.287 -0.254 0.000 0.935 344 K CB -0.869 31.547 32.500 -0.140 0.000 0.728 344 K HN 0.178 nan 8.250 nan 0.000 0.452 345 P HA -0.083 nan 4.420 nan 0.000 0.218 345 P C 0.870 178.021 177.300 -0.249 0.000 1.152 345 P CA 0.757 63.767 63.100 -0.149 0.000 0.826 345 P CB 0.146 31.763 31.700 -0.138 0.000 0.790 346 L N -0.268 120.656 121.223 -0.498 0.000 2.017 346 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 346 L C 2.486 179.011 176.870 -0.576 0.000 1.073 346 L CA 2.108 56.577 54.840 -0.618 0.000 0.745 346 L CB -1.864 39.518 42.059 -1.128 0.000 0.894 346 L HN -0.096 nan 8.230 nan 0.000 0.432 347 A N -1.545 120.769 122.820 -0.844 0.000 1.858 347 A HA -0.260 4.060 4.320 -0.000 0.000 0.216 347 A C 2.243 179.465 177.584 -0.604 0.000 1.190 347 A CA 1.669 53.035 52.037 -1.119 0.000 0.617 347 A CB -1.077 16.960 19.000 -1.604 0.000 0.827 347 A HN 0.396 nan 8.150 nan 0.000 0.443 348 Y N 0.019 120.118 120.300 -0.336 0.000 2.207 348 Y HA -0.159 4.391 4.550 -0.000 0.000 0.287 348 Y C 2.912 178.796 175.900 -0.026 0.000 1.156 348 Y CA 1.041 59.068 58.100 -0.122 0.000 1.182 348 Y CB -0.526 37.879 38.460 -0.092 0.000 0.979 348 Y HN 0.346 nan 8.280 nan 0.000 0.521 349 A N -0.801 122.079 122.820 0.101 0.000 1.902 349 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 349 A C 2.303 180.096 177.584 0.348 0.000 1.181 349 A CA 2.211 54.341 52.037 0.155 0.000 0.623 349 A CB -1.209 17.813 19.000 0.037 0.000 0.818 349 A HN 0.412 nan 8.150 nan 0.000 0.443 350 T N 0.779 115.533 114.554 0.333 0.000 2.720 350 T HA -0.163 4.186 4.350 -0.000 0.000 0.268 350 T C 1.777 176.586 174.700 0.182 0.000 1.037 350 T CA 1.806 64.139 62.100 0.389 0.000 1.144 350 T CB -0.543 68.555 68.868 0.383 0.000 0.864 350 T HN 0.738 nan 8.240 nan 0.000 0.444 351 I N -1.772 118.903 120.570 0.175 0.000 3.226 351 I HA 0.237 4.407 4.170 -0.000 0.000 0.277 351 I C 1.710 177.917 176.117 0.149 0.000 1.243 351 I CA 0.874 62.260 61.300 0.143 0.000 1.459 351 I CB -0.249 37.845 38.000 0.156 0.000 1.093 351 I HN 0.133 nan 8.210 nan 0.000 0.453 352 L N 1.121 122.452 121.223 0.181 0.000 2.463 352 L HA 0.096 4.436 4.340 -0.000 0.000 0.219 352 L C 2.282 179.238 176.870 0.143 0.000 1.088 352 L CA 1.125 56.066 54.840 0.169 0.000 0.849 352 L CB -0.059 42.116 42.059 0.192 0.000 1.012 352 L HN 0.398 nan 8.230 nan 0.000 0.468 353 T N -3.746 110.931 114.554 0.205 0.000 3.023 353 T HA 0.206 4.556 4.350 -0.000 0.000 0.253 353 T C 0.959 175.791 174.700 0.219 0.000 1.038 353 T CA -0.368 61.876 62.100 0.240 0.000 0.962 353 T CB 0.217 69.295 68.868 0.351 0.000 1.018 353 T HN 0.036 nan 8.240 nan 0.000 0.521 354 R N 1.536 122.067 120.500 0.053 0.000 2.528 354 R HA 0.361 4.701 4.340 -0.000 0.000 0.271 354 R C 1.599 177.837 176.300 -0.105 0.000 1.056 354 R CA -0.179 55.816 56.100 -0.174 0.000 1.117 354 R CB 0.850 30.885 30.300 -0.442 0.000 1.085 354 R HN 0.518 nan 8.270 nan 0.000 0.530 355 E N 0.609 120.736 120.200 -0.121 0.000 2.152 355 E HA -0.028 4.322 4.350 -0.000 0.000 0.192 355 E C 0.766 177.310 176.600 -0.092 0.000 0.983 355 E CA 0.509 56.847 56.400 -0.103 0.000 0.818 355 E CB 0.042 29.687 29.700 -0.092 0.000 0.758 355 E HN 0.617 nan 8.360 nan 0.000 0.467 356 G N 0.638 109.381 108.800 -0.096 0.000 2.616 356 G HA2 0.401 4.360 3.960 -0.000 0.000 0.268 356 G HA3 0.401 4.360 3.960 -0.000 0.000 0.268 356 G C 0.416 175.302 174.900 -0.023 0.000 1.213 356 G CA -0.109 44.950 45.100 -0.069 0.000 0.926 356 G HN 0.517 nan 8.290 nan 0.000 0.523 357 G N -1.541 107.266 108.800 0.013 0.000 2.955 357 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.604 357 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.604 357 G C -0.566 174.430 174.900 0.160 0.000 1.572 357 G CA 0.109 45.263 45.100 0.090 0.000 1.016 357 G HN 1.257 nan 8.290 nan 0.000 0.569 358 Y N 3.698 124.036 120.300 0.063 0.000 2.491 358 Y HA 0.526 5.075 4.550 -0.000 0.000 0.334 358 Y C -1.719 174.260 175.900 0.130 0.000 0.969 358 Y CA -2.994 55.139 58.100 0.055 0.000 1.241 358 Y CB 1.139 39.610 38.460 0.019 0.000 1.105 358 Y HN 0.518 nan 8.280 nan 0.000 0.503 359 P HA 0.077 nan 4.420 nan 0.000 0.271 359 P C -0.910 176.530 177.300 0.233 0.000 1.216 359 P CA -0.026 63.236 63.100 0.269 0.000 0.776 359 P CB 1.274 33.118 31.700 0.240 0.000 0.881 360 N N 2.283 121.166 118.700 0.306 0.000 2.399 360 N HA 0.264 5.003 4.740 -0.000 0.000 0.284 360 N C -1.279 174.481 175.510 0.417 0.000 1.025 360 N CA -0.716 52.538 53.050 0.340 0.000 0.885 360 N CB 1.134 39.898 38.487 0.462 0.000 1.339 360 N HN -0.027 nan 8.380 nan 0.000 0.487 361 V N 3.828 123.953 119.914 0.353 0.000 2.530 361 V HA 0.292 4.411 4.120 -0.000 0.000 0.282 361 V C -0.048 176.291 176.094 0.408 0.000 1.048 361 V CA -0.516 62.019 62.300 0.391 0.000 0.997 361 V CB 0.158 32.059 31.823 0.129 0.000 0.987 361 V HN 0.566 nan 8.190 nan 0.000 0.477 362 F N 5.157 125.296 119.950 0.315 0.000 2.411 362 F HA 0.312 4.839 4.527 -0.000 0.000 0.350 362 F C 0.698 176.611 175.800 0.188 0.000 1.114 362 F CA -1.490 56.646 58.000 0.226 0.000 1.135 362 F CB 0.634 39.816 39.000 0.304 0.000 1.120 362 F HN 0.595 nan 8.300 nan 0.000 0.495 363 Y N 5.184 125.368 120.300 -0.193 0.000 2.114 363 Y HA -0.122 4.427 4.550 -0.000 0.000 0.282 363 Y C 2.206 177.774 175.900 -0.553 0.000 1.165 363 Y CA 2.372 60.275 58.100 -0.329 0.000 1.148 363 Y CB -0.604 37.675 38.460 -0.300 0.000 0.972 363 Y HN 0.705 nan 8.280 nan 0.000 0.504 364 G N -0.424 107.695 108.800 -1.135 0.000 2.475 364 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.220 364 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.220 364 G C 1.340 176.046 174.900 -0.324 0.000 1.125 364 G CA 1.339 45.955 45.100 -0.807 0.000 0.755 364 G HN 0.420 nan 8.290 nan 0.000 0.565 365 D N -1.072 119.163 120.400 -0.274 0.000 2.149 365 D HA -0.025 4.614 4.640 -0.000 0.000 0.206 365 D C 1.943 178.177 176.300 -0.110 0.000 0.967 365 D CA 0.340 54.362 54.000 0.037 0.000 0.848 365 D CB -0.275 40.664 40.800 0.230 0.000 0.998 365 D HN 0.294 nan 8.370 nan 0.000 0.474 366 Y N 0.350 120.436 120.300 -0.358 0.000 2.097 366 Y HA -0.293 4.257 4.550 -0.000 0.000 0.282 366 Y C 1.635 177.179 175.900 -0.593 0.000 1.152 366 Y CA 1.786 59.559 58.100 -0.545 0.000 1.136 366 Y CB -0.229 37.792 38.460 -0.733 0.000 0.975 366 Y HN -0.007 nan 8.280 nan 0.000 0.498 367 Y N -0.463 119.651 120.300 -0.309 0.000 2.449 367 Y HA 0.404 4.953 4.550 -0.000 0.000 0.254 367 Y C 1.083 176.851 175.900 -0.220 0.000 1.140 367 Y CA 0.128 58.021 58.100 -0.345 0.000 1.272 367 Y CB 0.253 38.386 38.460 -0.545 0.000 1.114 367 Y HN 0.163 nan 8.280 nan 0.000 0.525 368 G N 0.840 109.612 108.800 -0.047 0.000 2.690 368 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.686 368 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.686 368 G C -0.849 174.075 174.900 0.040 0.000 1.277 368 G CA -0.768 44.341 45.100 0.014 0.000 0.799 368 G HN 0.111 nan 8.290 nan 0.000 0.613 369 I N 2.771 123.373 120.570 0.055 0.000 2.479 369 I HA 0.203 4.373 4.170 -0.000 0.000 0.279 369 I C -1.368 174.763 176.117 0.023 0.000 1.102 369 I CA -2.071 59.258 61.300 0.048 0.000 1.196 369 I CB 1.813 39.820 38.000 0.013 0.000 1.427 369 I HN 0.274 nan 8.210 nan 0.000 0.503 370 P HA -0.223 nan 4.420 nan 0.000 0.216 370 P C 1.410 178.691 177.300 -0.032 0.000 1.154 370 P CA 1.462 64.563 63.100 0.002 0.000 0.865 370 P CB 0.166 31.871 31.700 0.007 0.000 0.789 371 N N -0.523 118.146 118.700 -0.053 0.000 2.091 371 N HA -0.174 4.566 4.740 -0.000 0.000 0.193 371 N C 0.799 176.216 175.510 -0.155 0.000 1.021 371 N CA 1.699 54.656 53.050 -0.155 0.000 0.862 371 N CB -0.509 37.763 38.487 -0.359 0.000 1.018 371 N HN 0.093 nan 8.380 nan 0.000 0.429 372 D N -0.689 119.639 120.400 -0.120 0.000 2.463 372 D HA 0.118 4.758 4.640 -0.000 0.000 0.224 372 D C -0.466 175.807 176.300 -0.045 0.000 1.174 372 D CA -0.056 53.883 54.000 -0.103 0.000 0.829 372 D CB -0.362 40.350 40.800 -0.146 0.000 0.993 372 D HN 0.374 nan 8.370 nan 0.000 0.497 373 N N 0.644 119.329 118.700 -0.025 0.000 2.725 373 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 373 N C -0.533 175.000 175.510 0.039 0.000 1.103 373 N CA 0.122 53.176 53.050 0.006 0.000 0.707 373 N CB -0.891 37.601 38.487 0.008 0.000 1.043 373 N HN 0.348 nan 8.380 nan 0.000 0.553 374 I N 1.382 121.980 120.570 0.048 0.000 2.312 374 I HA 0.106 4.276 4.170 -0.000 0.000 0.291 374 I C 0.884 177.059 176.117 0.097 0.000 1.031 374 I CA -0.508 60.862 61.300 0.116 0.000 1.293 374 I CB 0.980 39.072 38.000 0.153 0.000 1.403 374 I HN 0.131 nan 8.210 nan 0.000 0.484 375 S N 5.322 121.077 115.700 0.091 0.000 2.572 375 S HA 0.434 4.904 4.470 -0.000 0.000 0.279 375 S C 0.327 174.942 174.600 0.024 0.000 1.341 375 S CA -0.998 57.230 58.200 0.046 0.000 1.043 375 S CB 1.269 64.490 63.200 0.034 0.000 0.887 375 S HN 0.685 nan 8.310 nan 0.000 0.516 376 A N 2.614 125.421 122.820 -0.021 0.000 2.491 376 A HA 0.333 4.652 4.320 -0.000 0.000 0.261 376 A C 0.893 178.393 177.584 -0.140 0.000 1.101 376 A CA -0.606 51.378 52.037 -0.088 0.000 0.772 376 A CB 0.039 18.983 19.000 -0.093 0.000 1.043 376 A HN 0.742 nan 8.150 nan 0.000 0.501 377 K N 2.681 122.970 120.400 -0.184 0.000 2.469 377 K HA 0.042 4.362 4.320 -0.000 0.000 0.201 377 K C 1.386 177.785 176.600 -0.335 0.000 1.028 377 K CA 0.083 56.248 56.287 -0.203 0.000 1.170 377 K CB 0.045 32.450 32.500 -0.157 0.000 0.874 377 K HN 0.861 nan 8.250 nan 0.000 0.507 378 K N 1.678 121.773 120.400 -0.509 0.000 2.071 378 K HA -0.252 4.068 4.320 -0.000 0.000 0.217 378 K C 0.959 177.297 176.600 -0.436 0.000 1.054 378 K CA 2.116 57.936 56.287 -0.779 0.000 0.937 378 K CB 0.122 32.108 32.500 -0.855 0.000 0.719 378 K HN 0.052 nan 8.250 nan 0.000 0.454 379 D N 0.323 120.555 120.400 -0.281 0.000 2.106 379 D HA -0.229 4.410 4.640 -0.000 0.000 0.191 379 D C 1.848 178.053 176.300 -0.158 0.000 0.997 379 D CA 1.366 55.258 54.000 -0.180 0.000 0.834 379 D CB -0.250 40.471 40.800 -0.132 0.000 0.956 379 D HN 0.320 nan 8.370 nan 0.000 0.448 380 M N 0.602 120.103 119.600 -0.165 0.000 2.159 380 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 380 M C 1.994 178.200 176.300 -0.158 0.000 1.063 380 M CA 1.185 56.397 55.300 -0.146 0.000 1.110 380 M CB -0.361 32.156 32.600 -0.138 0.000 1.374 380 M HN -0.015 nan 8.290 nan 0.000 0.411 381 I N -0.013 120.432 120.570 -0.210 0.000 2.500 381 I HA -0.232 3.938 4.170 -0.000 0.000 0.252 381 I C 1.765 177.840 176.117 -0.071 0.000 1.142 381 I CA 0.676 61.857 61.300 -0.198 0.000 1.451 381 I CB -0.543 37.288 38.000 -0.281 0.000 1.093 381 I HN 0.192 nan 8.210 nan 0.000 0.430 382 D N 1.193 121.555 120.400 -0.062 0.000 2.117 382 D HA -0.177 4.462 4.640 -0.000 0.000 0.197 382 D C 2.033 178.328 176.300 -0.007 0.000 0.987 382 D CA 1.275 55.275 54.000 0.000 0.000 0.829 382 D CB -0.158 40.628 40.800 -0.022 0.000 0.961 382 D HN 0.409 nan 8.370 nan 0.000 0.460 383 E N 0.294 120.470 120.200 -0.041 0.000 2.118 383 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 383 E C 2.306 178.893 176.600 -0.022 0.000 0.992 383 E CA 0.543 56.918 56.400 -0.041 0.000 0.804 383 E CB -0.089 29.565 29.700 -0.076 0.000 0.741 383 E HN 0.303 nan 8.360 nan 0.000 0.458 384 L N 0.494 121.704 121.223 -0.022 0.000 2.179 384 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 384 L C 2.377 179.278 176.870 0.052 0.000 1.096 384 L CA 0.506 55.353 54.840 0.011 0.000 0.779 384 L CB -0.222 41.845 42.059 0.014 0.000 0.922 384 L HN 0.167 nan 8.230 nan 0.000 0.443 385 L N -0.181 121.071 121.223 0.047 0.000 2.141 385 L HA -0.210 4.129 4.340 -0.000 0.000 0.209 385 L C 2.208 179.126 176.870 0.079 0.000 1.094 385 L CA 1.185 56.064 54.840 0.065 0.000 0.763 385 L CB -0.409 41.685 42.059 0.058 0.000 0.908 385 L HN 0.305 nan 8.230 nan 0.000 0.437 386 D N 0.119 120.565 120.400 0.077 0.000 2.097 386 D HA -0.176 4.463 4.640 -0.000 0.000 0.195 386 D C 2.148 178.570 176.300 0.202 0.000 0.989 386 D CA 1.419 55.487 54.000 0.113 0.000 0.827 386 D CB 0.176 41.036 40.800 0.099 0.000 0.966 386 D HN 0.223 nan 8.370 nan 0.000 0.456 387 A N 0.687 123.610 122.820 0.172 0.000 1.859 387 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 387 A C 2.358 180.077 177.584 0.225 0.000 1.198 387 A CA 2.096 54.263 52.037 0.216 0.000 0.629 387 A CB -0.891 18.151 19.000 0.071 0.000 0.830 387 A HN 0.297 nan 8.150 nan 0.000 0.446 388 R N -0.730 119.852 120.500 0.137 0.000 2.081 388 R HA -0.193 4.146 4.340 -0.000 0.000 0.235 388 R C 2.454 178.822 176.300 0.113 0.000 1.131 388 R CA 1.873 58.024 56.100 0.085 0.000 0.960 388 R CB -0.296 30.043 30.300 0.066 0.000 0.856 388 R HN 0.751 nan 8.270 nan 0.000 0.436 389 Q N -0.383 119.500 119.800 0.139 0.000 2.119 389 Q HA -0.088 4.251 4.340 -0.000 0.000 0.201 389 Q C 0.758 176.872 176.000 0.190 0.000 0.972 389 Q CA 1.534 57.430 55.803 0.155 0.000 0.847 389 Q CB 0.289 29.074 28.738 0.079 0.000 0.903 389 Q HN 0.425 nan 8.270 nan 0.000 0.433 390 N N -1.803 116.933 118.700 0.061 0.000 2.210 390 N HA 0.048 4.787 4.740 -0.000 0.000 0.203 390 N C 0.153 175.332 175.510 -0.552 0.000 1.175 390 N CA 0.278 53.140 53.050 -0.313 0.000 0.894 390 N CB 0.640 38.791 38.487 -0.560 0.000 1.041 390 N HN 0.260 nan 8.380 nan 0.000 0.506 391 Y N 0.692 121.114 120.300 0.203 0.000 2.652 391 Y HA 0.409 4.959 4.550 -0.000 0.000 0.275 391 Y C 1.237 177.285 175.900 0.246 0.000 1.133 391 Y CA -0.504 57.679 58.100 0.139 0.000 1.246 391 Y CB -0.053 38.379 38.460 -0.048 0.000 1.334 391 Y HN -0.131 nan 8.280 nan 0.000 0.493 392 A N 1.128 124.115 122.820 0.278 0.000 3.051 392 A HA 0.300 4.620 4.320 -0.000 0.000 0.275 392 A C -1.174 176.261 177.584 -0.249 0.000 1.900 392 A CA 0.568 52.636 52.037 0.051 0.000 1.496 392 A CB -1.925 17.067 19.000 -0.014 0.000 1.013 392 A HN 0.431 nan 8.150 nan 0.000 0.611 393 Y N -0.099 120.232 120.300 0.053 0.000 2.669 393 Y HA 0.614 5.163 4.550 -0.000 0.000 0.335 393 Y C 0.934 176.864 175.900 0.049 0.000 1.116 393 Y CA -0.176 57.943 58.100 0.030 0.000 1.081 393 Y CB 1.324 39.786 38.460 0.002 0.000 1.297 393 Y HN 1.011 nan 8.280 nan 0.000 0.484 394 G N 0.276 109.191 108.800 0.192 0.000 2.888 394 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.441 394 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.441 394 G C -0.553 174.397 174.900 0.084 0.000 1.461 394 G CA -0.564 44.615 45.100 0.132 0.000 0.897 394 G HN 0.679 nan 8.290 nan 0.000 0.547 395 T N 1.138 115.735 114.554 0.071 0.000 2.867 395 T HA 0.273 4.623 4.350 -0.000 0.000 0.290 395 T C 0.743 175.417 174.700 -0.043 0.000 1.025 395 T CA 1.388 63.488 62.100 -0.000 0.000 1.146 395 T CB 0.759 69.644 68.868 0.028 0.000 1.024 395 T HN 0.748 nan 8.240 nan 0.000 0.519 396 Q N 1.791 121.499 119.800 -0.154 0.000 2.215 396 Q HA 0.298 4.638 4.340 -0.000 0.000 0.256 396 Q C -1.052 174.734 176.000 -0.357 0.000 0.972 396 Q CA -0.825 54.916 55.803 -0.103 0.000 0.889 396 Q CB 0.867 29.581 28.738 -0.041 0.000 1.281 396 Q HN 0.732 nan 8.270 nan 0.000 0.456 397 H N 2.228 121.393 119.070 0.158 0.000 3.018 397 H HA 0.262 4.818 4.556 -0.000 0.000 0.334 397 H C -1.371 174.023 175.328 0.110 0.000 0.983 397 H CA -0.722 55.389 56.048 0.106 0.000 1.363 397 H CB 1.567 31.448 29.762 0.198 0.000 1.668 397 H HN 0.662 nan 8.280 nan 0.000 0.513 398 D N 1.699 122.128 120.400 0.048 0.000 2.277 398 D HA 0.224 4.864 4.640 -0.000 0.000 0.250 398 D C -0.111 176.039 176.300 -0.250 0.000 1.032 398 D CA -0.180 53.892 54.000 0.120 0.000 0.947 398 D CB 1.527 42.525 40.800 0.329 0.000 1.159 398 D HN 0.503 nan 8.370 nan 0.000 0.460 399 Y N 0.126 120.477 120.300 0.086 0.000 2.634 399 Y HA 0.230 4.779 4.550 -0.000 0.000 0.300 399 Y C -0.295 175.604 175.900 -0.001 0.000 0.977 399 Y CA -0.558 57.587 58.100 0.075 0.000 1.134 399 Y CB -0.065 38.425 38.460 0.050 0.000 1.161 399 Y HN 0.191 nan 8.280 nan 0.000 0.623 400 F N 1.134 121.248 119.950 0.274 0.000 2.705 400 F HA 0.142 4.669 4.527 -0.000 0.000 0.355 400 F C 0.762 176.693 175.800 0.220 0.000 1.172 400 F CA -0.385 57.766 58.000 0.251 0.000 1.332 400 F CB -0.346 38.776 39.000 0.204 0.000 1.621 400 F HN 0.335 nan 8.300 nan 0.000 0.605 401 D N -2.693 117.904 120.400 0.329 0.000 2.327 401 D HA -0.060 4.579 4.640 -0.000 0.000 0.205 401 D C 0.830 177.304 176.300 0.290 0.000 0.989 401 D CA 0.611 54.786 54.000 0.292 0.000 0.873 401 D CB -0.051 40.918 40.800 0.281 0.000 0.955 401 D HN 0.285 nan 8.370 nan 0.000 0.515 402 H N -0.390 118.770 119.070 0.150 0.000 2.616 402 H HA 0.256 4.812 4.556 -0.000 0.000 0.353 402 H C -0.116 175.291 175.328 0.131 0.000 1.170 402 H CA -0.930 55.128 56.048 0.017 0.000 1.212 402 H CB 1.265 30.862 29.762 -0.274 0.000 1.653 402 H HN 0.206 nan 8.280 nan 0.000 0.537 403 W N 2.619 123.712 121.300 -0.346 0.000 2.937 403 W HA 0.149 4.809 4.660 -0.000 0.000 0.245 403 W C -0.158 176.491 176.519 0.217 0.000 1.306 403 W CA 0.093 57.412 57.345 -0.043 0.000 1.470 403 W CB 0.372 29.745 29.460 -0.145 0.000 1.132 403 W HN 0.389 nan 8.180 nan 0.000 0.675 404 D N 0.388 120.921 120.400 0.220 0.000 3.208 404 D HA 0.036 4.676 4.640 -0.000 0.000 0.281 404 D C 0.246 176.642 176.300 0.161 0.000 1.328 404 D CA 0.362 54.493 54.000 0.219 0.000 1.102 404 D CB -0.214 40.648 40.800 0.103 0.000 1.267 404 D HN -0.159 nan 8.370 nan 0.000 0.405 405 V N 3.027 122.953 119.914 0.021 0.000 2.488 405 V HA 0.437 4.556 4.120 -0.000 0.000 0.277 405 V C 0.424 176.523 176.094 0.009 0.000 1.046 405 V CA -0.357 61.898 62.300 -0.074 0.000 0.986 405 V CB 1.019 32.684 31.823 -0.264 0.000 0.989 405 V HN 0.145 nan 8.190 nan 0.000 0.475 406 V N 2.242 122.152 119.914 -0.007 0.000 3.147 406 V HA 1.138 5.258 4.120 -0.000 0.000 0.306 406 V C -0.209 175.775 176.094 -0.183 0.000 1.209 406 V CA 0.154 62.438 62.300 -0.026 0.000 1.023 406 V CB 1.824 33.691 31.823 0.074 0.000 1.059 406 V HN 1.148 nan 8.190 nan 0.000 0.435 407 G N 0.730 109.389 108.800 -0.236 0.000 2.554 407 G HA2 0.796 4.756 3.960 -0.000 0.000 0.306 407 G HA3 0.796 4.756 3.960 -0.000 0.000 0.306 407 G C -1.884 172.989 174.900 -0.045 0.000 1.320 407 G CA 0.008 44.880 45.100 -0.381 0.000 0.800 407 G HN 2.243 nan 8.290 nan 0.000 0.481 408 W N -1.397 119.871 121.300 -0.054 0.000 2.989 408 W HA 0.751 5.410 4.660 -0.000 0.000 0.344 408 W C -0.541 176.020 176.519 0.070 0.000 1.233 408 W CA -0.612 56.790 57.345 0.095 0.000 1.187 408 W CB 0.743 30.223 29.460 0.034 0.000 1.443 408 W HN 1.068 nan 8.180 nan 0.000 0.573 409 T N -0.627 114.195 114.554 0.446 0.000 2.864 409 T HA 0.801 5.151 4.350 -0.000 0.000 0.299 409 T C -1.144 173.757 174.700 0.335 0.000 1.166 409 T CA -1.237 61.038 62.100 0.291 0.000 1.007 409 T CB 2.230 71.217 68.868 0.198 0.000 1.219 409 T HN 0.682 nan 8.240 nan 0.000 0.506 410 R N 1.401 122.066 120.500 0.275 0.000 2.483 410 R HA 0.335 4.675 4.340 -0.000 0.000 0.303 410 R C 0.455 176.907 176.300 0.254 0.000 0.987 410 R CA -0.540 55.701 56.100 0.235 0.000 0.881 410 R CB 1.527 31.940 30.300 0.188 0.000 1.177 410 R HN 0.904 nan 8.270 nan 0.000 0.451 411 E N 1.333 121.680 120.200 0.244 0.000 2.265 411 E HA -0.030 4.320 4.350 -0.000 0.000 0.196 411 E C 0.672 177.400 176.600 0.213 0.000 0.996 411 E CA 0.887 57.417 56.400 0.217 0.000 0.832 411 E CB 0.104 29.921 29.700 0.195 0.000 0.756 411 E HN 0.902 nan 8.360 nan 0.000 0.491 412 G N 1.023 109.944 108.800 0.201 0.000 2.707 412 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.686 412 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.686 412 G C -0.361 174.627 174.900 0.147 0.000 1.315 412 G CA -0.326 44.885 45.100 0.185 0.000 0.832 412 G HN 0.323 nan 8.290 nan 0.000 0.573 413 S N -1.205 114.560 115.700 0.108 0.000 2.513 413 S HA 0.748 5.217 4.470 -0.000 0.000 0.299 413 S C 1.416 176.027 174.600 0.019 0.000 1.087 413 S CA 0.660 58.902 58.200 0.071 0.000 1.012 413 S CB 1.875 65.123 63.200 0.081 0.000 1.044 413 S HN 2.308 nan 8.310 nan 0.000 0.485 414 S N 1.945 117.661 115.700 0.026 0.000 2.440 414 S HA -0.141 4.329 4.470 -0.000 0.000 0.238 414 S C 1.534 176.122 174.600 -0.020 0.000 1.010 414 S CA 1.089 59.296 58.200 0.010 0.000 0.972 414 S CB -1.027 62.185 63.200 0.021 0.000 0.774 414 S HN 0.976 nan 8.310 nan 0.000 0.501 415 S N 0.630 116.310 115.700 -0.032 0.000 2.562 415 S HA 0.203 4.673 4.470 -0.000 0.000 0.221 415 S C 0.688 175.215 174.600 -0.122 0.000 0.975 415 S CA -0.277 57.887 58.200 -0.059 0.000 0.918 415 S CB -0.229 62.946 63.200 -0.041 0.000 0.772 415 S HN 0.588 nan 8.310 nan 0.000 0.531 416 R N 1.635 122.037 120.500 -0.163 0.000 2.521 416 R HA 0.362 4.702 4.340 -0.000 0.000 0.295 416 R C -3.309 172.857 176.300 -0.223 0.000 1.183 416 R CA -2.027 53.907 56.100 -0.277 0.000 0.957 416 R CB 0.919 30.881 30.300 -0.563 0.000 1.171 416 R HN -0.013 nan 8.270 nan 0.000 0.494 417 P HA -0.123 nan 4.420 nan 0.000 0.262 417 P C -0.595 176.627 177.300 -0.130 0.000 1.151 417 P CA 0.909 63.938 63.100 -0.119 0.000 0.757 417 P CB 0.328 31.960 31.700 -0.113 0.000 0.754 418 N N -0.957 117.720 118.700 -0.038 0.000 2.627 418 N HA -0.240 4.500 4.740 -0.000 0.000 0.248 418 N C 0.258 175.793 175.510 0.043 0.000 1.173 418 N CA 1.409 54.477 53.050 0.031 0.000 0.741 418 N CB -1.585 36.944 38.487 0.069 0.000 1.128 418 N HN 0.582 nan 8.380 nan 0.000 0.562 419 S N -0.642 115.026 115.700 -0.053 0.000 2.680 419 S HA 0.483 4.953 4.470 -0.000 0.000 0.249 419 S C 0.997 175.681 174.600 0.140 0.000 1.358 419 S CA -0.066 58.130 58.200 -0.007 0.000 0.963 419 S CB 0.610 63.776 63.200 -0.057 0.000 0.984 419 S HN 1.367 nan 8.310 nan 0.000 0.584 420 G N -0.924 107.981 108.800 0.175 0.000 3.055 420 G HA2 0.403 4.363 3.960 -0.000 0.000 0.686 420 G HA3 0.403 4.363 3.960 -0.000 0.000 0.686 420 G C -1.199 173.594 174.900 -0.179 0.000 1.087 420 G CA -0.423 44.748 45.100 0.118 0.000 0.779 420 G HN 1.895 nan 8.290 nan 0.000 0.599 421 L N -0.832 120.339 121.223 -0.086 0.000 2.720 421 L HA 1.089 5.429 4.340 -0.000 0.000 0.261 421 L C -0.153 176.735 176.870 0.029 0.000 1.046 421 L CA -0.889 53.801 54.840 -0.250 0.000 0.886 421 L CB 1.386 43.366 42.059 -0.132 0.000 1.493 421 L HN 2.414 nan 8.230 nan 0.000 0.407 422 A N 0.033 122.800 122.820 -0.089 0.000 2.446 422 A HA 0.773 5.093 4.320 -0.000 0.000 0.282 422 A C -0.626 176.712 177.584 -0.409 0.000 1.102 422 A CA -0.330 51.518 52.037 -0.315 0.000 0.737 422 A CB 1.058 19.516 19.000 -0.904 0.000 1.212 422 A HN 0.720 nan 8.150 nan 0.000 0.434 423 T N 2.551 116.767 114.554 -0.565 0.000 2.799 423 T HA 0.577 4.927 4.350 -0.000 0.000 0.286 423 T C -0.438 173.815 174.700 -0.745 0.000 0.973 423 T CA 0.167 61.820 62.100 -0.745 0.000 1.035 423 T CB 0.658 68.743 68.868 -1.305 0.000 0.932 423 T HN 0.711 nan 8.240 nan 0.000 0.469 424 I N 4.405 124.691 120.570 -0.473 0.000 2.769 424 I HA 0.792 4.962 4.170 -0.000 0.000 0.298 424 I C -1.100 174.857 176.117 -0.267 0.000 1.128 424 I CA -1.002 60.099 61.300 -0.332 0.000 1.031 424 I CB 1.647 39.575 38.000 -0.119 0.000 1.235 424 I HN 0.857 nan 8.210 nan 0.000 0.423 425 M N 4.074 123.546 119.600 -0.214 0.000 2.833 425 M HA 0.687 5.167 4.480 -0.000 0.000 0.270 425 M C -1.664 174.603 176.300 -0.055 0.000 1.209 425 M CA -0.624 54.593 55.300 -0.139 0.000 0.826 425 M CB 1.840 34.333 32.600 -0.179 0.000 1.657 425 M HN 0.491 nan 8.290 nan 0.000 0.492 426 S N 0.375 116.077 115.700 0.004 0.000 2.566 426 S HA 0.460 4.930 4.470 -0.000 0.000 0.273 426 S C -0.772 173.932 174.600 0.174 0.000 1.157 426 S CA -0.498 57.748 58.200 0.075 0.000 0.938 426 S CB 1.312 64.530 63.200 0.030 0.000 1.087 426 S HN 0.956 nan 8.310 nan 0.000 0.474 427 N N 2.824 121.699 118.700 0.291 0.000 2.280 427 N HA 0.244 4.983 4.740 -0.000 0.000 0.192 427 N C 0.564 176.317 175.510 0.405 0.000 1.109 427 N CA 0.205 53.550 53.050 0.491 0.000 0.855 427 N CB 0.486 39.362 38.487 0.649 0.000 0.974 427 N HN 0.596 nan 8.380 nan 0.000 0.482 428 G N -0.156 108.796 108.800 0.253 0.000 3.135 428 G HA2 0.510 4.470 3.960 -0.000 0.000 0.278 428 G HA3 0.510 4.470 3.960 -0.000 0.000 0.278 428 G C -3.078 171.886 174.900 0.107 0.000 1.302 428 G CA -1.451 43.755 45.100 0.176 0.000 0.880 428 G HN -0.091 nan 8.290 nan 0.000 0.574 429 P HA 0.152 nan 4.420 nan 0.000 0.261 429 P C 0.828 178.138 177.300 0.016 0.000 1.165 429 P CA 0.588 63.715 63.100 0.044 0.000 0.759 429 P CB 0.398 32.126 31.700 0.045 0.000 0.772 430 G N 2.387 111.197 108.800 0.016 0.000 2.661 430 G HA2 0.441 4.401 3.960 -0.000 0.000 0.272 430 G HA3 0.441 4.401 3.960 -0.000 0.000 0.272 430 G C 0.302 175.178 174.900 -0.040 0.000 1.296 430 G CA 0.319 45.419 45.100 0.001 0.000 0.998 430 G HN 0.760 nan 8.290 nan 0.000 0.553 431 G N -1.923 106.848 108.800 -0.050 0.000 2.348 431 G HA2 0.655 4.614 3.960 -0.000 0.000 0.296 431 G HA3 0.655 4.614 3.960 -0.000 0.000 0.296 431 G C -0.675 174.114 174.900 -0.186 0.000 1.258 431 G CA 0.575 45.606 45.100 -0.113 0.000 0.868 431 G HN 1.774 nan 8.290 nan 0.000 0.488 432 S N -1.110 114.373 115.700 -0.362 0.000 2.651 432 S HA 0.863 5.333 4.470 -0.000 0.000 0.279 432 S C -1.152 173.160 174.600 -0.480 0.000 1.148 432 S CA -0.609 57.194 58.200 -0.662 0.000 0.837 432 S CB 2.683 64.951 63.200 -1.552 0.000 1.138 432 S HN 0.991 nan 8.310 nan 0.000 0.478 433 K N 0.257 120.366 120.400 -0.484 0.000 2.557 433 K HA 0.299 4.618 4.320 -0.000 0.000 0.257 433 K C -2.167 174.276 176.600 -0.262 0.000 0.933 433 K CA -0.487 55.631 56.287 -0.281 0.000 0.820 433 K CB 1.404 33.777 32.500 -0.213 0.000 1.330 433 K HN 0.776 nan 8.250 nan 0.000 0.432 434 W N 5.744 126.969 121.300 -0.126 0.000 2.437 434 W HA 0.328 4.988 4.660 -0.000 0.000 0.312 434 W C 0.018 176.563 176.519 0.042 0.000 1.242 434 W CA -0.260 57.094 57.345 0.016 0.000 1.340 434 W CB 0.724 30.246 29.460 0.103 0.000 1.327 434 W HN 0.245 nan 8.180 nan 0.000 0.476 435 M N 3.841 123.498 119.600 0.096 0.000 2.530 435 M HA 0.266 4.746 4.480 -0.000 0.000 0.307 435 M C -0.881 175.077 176.300 -0.570 0.000 1.161 435 M CA -1.316 53.712 55.300 -0.453 0.000 0.903 435 M CB 2.096 34.272 32.600 -0.708 0.000 1.711 435 M HN 0.233 nan 8.290 nan 0.000 0.451 436 Y N 1.650 121.277 120.300 -1.122 0.000 2.304 436 Y HA 0.399 4.949 4.550 -0.000 0.000 0.327 436 Y C 0.416 175.945 175.900 -0.618 0.000 1.209 436 Y CA -0.050 57.193 58.100 -1.427 0.000 1.299 436 Y CB 0.980 38.600 38.460 -1.400 0.000 1.249 436 Y HN 0.416 nan 8.280 nan 0.000 0.519 437 V N 1.157 120.299 119.914 -1.287 0.000 3.415 437 V HA 0.616 4.736 4.120 -0.000 0.000 0.315 437 V C 0.034 175.700 176.094 -0.713 0.000 1.516 437 V CA 0.141 62.026 62.300 -0.692 0.000 1.122 437 V CB -0.033 31.538 31.823 -0.420 0.000 0.988 437 V HN 1.522 nan 8.190 nan 0.000 0.474 438 G N 1.498 109.408 108.800 -1.483 0.000 3.445 438 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.686 438 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.686 438 G C 0.074 174.796 174.900 -0.296 0.000 1.113 438 G CA 0.021 44.766 45.100 -0.592 0.000 0.974 438 G HN 0.580 nan 8.290 nan 0.000 0.492 439 R N 1.331 121.854 120.500 0.037 0.000 2.303 439 R HA -0.158 4.181 4.340 -0.000 0.000 0.225 439 R C 2.556 178.892 176.300 0.060 0.000 1.114 439 R CA 1.964 58.137 56.100 0.121 0.000 1.007 439 R CB 0.008 30.447 30.300 0.232 0.000 0.861 439 R HN 0.718 nan 8.270 nan 0.000 0.471 440 Q N -0.605 119.225 119.800 0.049 0.000 2.451 440 Q HA -0.051 4.289 4.340 -0.000 0.000 0.206 440 Q C -0.036 175.992 176.000 0.047 0.000 0.947 440 Q CA 0.763 56.600 55.803 0.056 0.000 0.937 440 Q CB 0.132 28.913 28.738 0.073 0.000 1.025 440 Q HN 0.309 nan 8.270 nan 0.000 0.511 441 N N 1.029 119.736 118.700 0.010 0.000 2.273 441 N HA 0.254 4.994 4.740 -0.000 0.000 0.231 441 N C -0.308 175.170 175.510 -0.054 0.000 1.134 441 N CA 0.273 53.337 53.050 0.024 0.000 0.856 441 N CB 0.946 39.467 38.487 0.057 0.000 1.068 441 N HN 0.261 nan 8.380 nan 0.000 0.510 442 A N -0.189 122.611 122.820 -0.033 0.000 2.483 442 A HA 0.477 4.797 4.320 -0.000 0.000 0.238 442 A C 1.462 179.034 177.584 -0.020 0.000 1.070 442 A CA 0.836 52.852 52.037 -0.035 0.000 0.770 442 A CB -0.113 18.894 19.000 0.011 0.000 1.008 442 A HN 0.430 nan 8.150 nan 0.000 0.497 443 G N 0.500 109.279 108.800 -0.035 0.000 2.225 443 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.254 443 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.254 443 G C 0.342 175.239 174.900 -0.006 0.000 0.988 443 G CA 0.676 45.768 45.100 -0.014 0.000 0.625 443 G HN 0.947 nan 8.290 nan 0.000 0.527 444 Q N 0.545 120.334 119.800 -0.017 0.000 2.354 444 Q HA 0.540 4.879 4.340 -0.000 0.000 0.244 444 Q C -0.334 175.679 176.000 0.023 0.000 0.969 444 Q CA 0.516 56.356 55.803 0.060 0.000 0.885 444 Q CB 0.801 29.645 28.738 0.175 0.000 1.241 444 Q HN 0.216 nan 8.270 nan 0.000 0.461 445 T N 1.952 116.605 114.554 0.166 0.000 2.791 445 T HA 0.318 4.668 4.350 -0.000 0.000 0.288 445 T C -1.276 173.665 174.700 0.401 0.000 0.999 445 T CA -0.611 61.583 62.100 0.157 0.000 0.952 445 T CB 0.290 69.213 68.868 0.093 0.000 0.938 445 T HN 0.326 nan 8.240 nan 0.000 0.444 446 W N 3.036 124.359 121.300 0.038 0.000 2.496 446 W HA 0.600 5.260 4.660 -0.000 0.000 0.327 446 W C 0.578 177.211 176.519 0.189 0.000 1.086 446 W CA -0.946 56.467 57.345 0.113 0.000 1.222 446 W CB 0.949 30.532 29.460 0.205 0.000 1.304 446 W HN 0.615 nan 8.180 nan 0.000 0.547 447 T N -1.264 113.496 114.554 0.343 0.000 2.906 447 T HA 0.240 4.589 4.350 -0.000 0.000 0.295 447 T C -0.924 173.810 174.700 0.056 0.000 1.075 447 T CA -0.885 61.374 62.100 0.265 0.000 1.005 447 T CB 2.266 71.191 68.868 0.096 0.000 1.136 447 T HN 0.199 nan 8.240 nan 0.000 0.498 448 D N 1.101 121.410 120.400 -0.151 0.000 2.342 448 D HA 0.124 4.764 4.640 -0.000 0.000 0.260 448 D C 1.154 177.278 176.300 -0.294 0.000 1.278 448 D CA -0.439 53.276 54.000 -0.475 0.000 0.910 448 D CB 0.250 40.710 40.800 -0.566 0.000 1.079 448 D HN 0.542 nan 8.370 nan 0.000 0.496 449 L N 2.906 123.947 121.223 -0.302 0.000 2.187 449 L HA -0.183 4.156 4.340 -0.000 0.000 0.213 449 L C 2.307 179.069 176.870 -0.180 0.000 1.100 449 L CA 1.557 56.260 54.840 -0.227 0.000 0.765 449 L CB -0.367 41.549 42.059 -0.239 0.000 0.904 449 L HN 0.532 nan 8.230 nan 0.000 0.437 450 T N -4.348 110.083 114.554 -0.205 0.000 3.054 450 T HA 0.116 4.466 4.350 -0.000 0.000 0.259 450 T C 1.457 176.074 174.700 -0.138 0.000 1.092 450 T CA 0.572 62.576 62.100 -0.161 0.000 1.121 450 T CB 0.359 69.126 68.868 -0.169 0.000 0.912 450 T HN 0.425 nan 8.240 nan 0.000 0.489 451 G N 1.900 110.608 108.800 -0.154 0.000 2.147 451 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.244 451 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.244 451 G C 0.546 175.387 174.900 -0.099 0.000 1.005 451 G CA 0.193 45.225 45.100 -0.114 0.000 0.713 451 G HN 0.546 nan 8.290 nan 0.000 0.515 452 N N 0.383 119.012 118.700 -0.119 0.000 2.280 452 N HA 0.077 4.817 4.740 -0.000 0.000 0.192 452 N C 0.170 175.642 175.510 -0.064 0.000 1.109 452 N CA 0.261 53.260 53.050 -0.084 0.000 0.855 452 N CB 0.327 38.761 38.487 -0.088 0.000 0.974 452 N HN 0.521 nan 8.380 nan 0.000 0.482 453 N N -0.685 117.969 118.700 -0.076 0.000 2.537 453 N HA 0.127 4.866 4.740 -0.000 0.000 0.281 453 N C 0.178 175.686 175.510 -0.004 0.000 1.097 453 N CA -0.185 52.855 53.050 -0.015 0.000 0.964 453 N CB 1.549 40.074 38.487 0.062 0.000 1.588 453 N HN 0.012 nan 8.380 nan 0.000 0.511 454 G N 1.036 109.832 108.800 -0.007 0.000 2.848 454 G HA2 0.174 4.134 3.960 -0.000 0.000 0.208 454 G HA3 0.174 4.134 3.960 -0.000 0.000 0.208 454 G C 0.700 175.608 174.900 0.014 0.000 1.152 454 G CA 0.441 45.536 45.100 -0.007 0.000 0.789 454 G HN 0.721 nan 8.290 nan 0.000 0.531 455 A N 0.153 122.998 122.820 0.042 0.000 2.586 455 A HA 0.434 4.754 4.320 -0.000 0.000 0.231 455 A C 0.706 178.352 177.584 0.104 0.000 1.055 455 A CA 0.671 52.709 52.037 0.002 0.000 0.756 455 A CB 0.285 19.299 19.000 0.024 0.000 0.988 455 A HN 0.404 nan 8.150 nan 0.000 0.509 456 S N 1.926 117.622 115.700 -0.007 0.000 2.542 456 S HA 0.447 4.917 4.470 -0.000 0.000 0.245 456 S C -0.630 173.928 174.600 -0.070 0.000 1.325 456 S CA -0.611 57.603 58.200 0.023 0.000 1.176 456 S CB -0.073 63.128 63.200 0.003 0.000 1.045 456 S HN 0.681 nan 8.310 nan 0.000 0.481 457 V N 4.955 124.796 119.914 -0.122 0.000 2.488 457 V HA 0.343 4.462 4.120 -0.000 0.000 0.277 457 V C 0.637 176.572 176.094 -0.265 0.000 1.046 457 V CA -0.142 61.950 62.300 -0.348 0.000 0.986 457 V CB 1.207 32.555 31.823 -0.790 0.000 0.989 457 V HN 0.780 nan 8.190 nan 0.000 0.475 458 T N 6.229 120.619 114.554 -0.273 0.000 2.794 458 T HA 0.505 4.855 4.350 -0.000 0.000 0.280 458 T C -0.076 174.463 174.700 -0.270 0.000 0.987 458 T CA -0.394 61.583 62.100 -0.205 0.000 0.993 458 T CB 0.969 69.771 68.868 -0.109 0.000 0.939 458 T HN 0.310 nan 8.240 nan 0.000 0.449 459 I N 4.846 125.235 120.570 -0.302 0.000 2.396 459 I HA 0.161 4.331 4.170 -0.000 0.000 0.289 459 I C 0.974 177.031 176.117 -0.100 0.000 1.056 459 I CA -0.807 60.322 61.300 -0.284 0.000 1.365 459 I CB -0.430 37.322 38.000 -0.414 0.000 1.407 459 I HN 0.702 nan 8.210 nan 0.000 0.509 460 N N 5.066 123.773 118.700 0.011 0.000 2.285 460 N HA 0.077 4.817 4.740 -0.000 0.000 0.262 460 N C 1.285 176.835 175.510 0.066 0.000 1.299 460 N CA 0.174 53.263 53.050 0.064 0.000 0.930 460 N CB -0.048 38.519 38.487 0.133 0.000 1.157 460 N HN 0.591 nan 8.380 nan 0.000 0.532 461 G N -1.482 107.357 108.800 0.065 0.000 2.448 461 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.219 461 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.219 461 G C 0.470 175.440 174.900 0.116 0.000 1.127 461 G CA 0.572 45.711 45.100 0.066 0.000 0.766 461 G HN 0.659 nan 8.290 nan 0.000 0.552 462 D N 0.074 120.583 120.400 0.183 0.000 2.340 462 D HA 0.199 4.839 4.640 -0.000 0.000 0.220 462 D C 1.880 178.489 176.300 0.515 0.000 1.039 462 D CA 0.760 54.951 54.000 0.318 0.000 0.866 462 D CB -0.011 40.959 40.800 0.284 0.000 0.913 462 D HN 0.354 nan 8.370 nan 0.000 0.523 463 G N 0.419 109.383 108.800 0.273 0.000 2.137 463 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.237 463 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.237 463 G C -0.379 174.421 174.900 -0.165 0.000 1.002 463 G CA -0.319 44.783 45.100 0.004 0.000 0.702 463 G HN 0.131 nan 8.290 nan 0.000 0.515 464 W N -0.351 120.974 121.300 0.041 0.000 2.570 464 W HA 0.701 5.360 4.660 -0.000 0.000 0.337 464 W C 0.532 177.099 176.519 0.079 0.000 1.067 464 W CA 0.202 57.627 57.345 0.134 0.000 1.229 464 W CB 2.172 31.779 29.460 0.244 0.000 1.355 464 W HN 0.655 nan 8.180 nan 0.000 0.555 465 G N 0.854 109.729 108.800 0.126 0.000 2.733 465 G HA2 0.461 4.421 3.960 -0.000 0.000 0.297 465 G HA3 0.461 4.421 3.960 -0.000 0.000 0.297 465 G C -2.033 172.233 174.900 -1.057 0.000 1.422 465 G CA -0.864 43.918 45.100 -0.530 0.000 0.942 465 G HN 0.373 nan 8.290 nan 0.000 0.510 466 E N 0.946 120.153 120.200 -1.655 0.000 2.109 466 E HA 0.565 4.915 4.350 -0.000 0.000 0.278 466 E C -1.170 174.647 176.600 -1.304 0.000 0.954 466 E CA -0.621 54.765 56.400 -1.690 0.000 0.779 466 E CB 0.763 29.183 29.700 -2.134 0.000 1.093 466 E HN 0.223 nan 8.360 nan 0.000 0.401 467 F N 3.840 123.320 119.950 -0.783 0.000 2.450 467 F HA 0.475 5.001 4.527 -0.000 0.000 0.332 467 F C -0.318 175.125 175.800 -0.596 0.000 1.093 467 F CA -0.715 56.894 58.000 -0.652 0.000 1.003 467 F CB 0.873 39.524 39.000 -0.581 0.000 1.151 467 F HN 0.374 nan 8.300 nan 0.000 0.474 468 F N 0.157 120.089 119.950 -0.029 0.000 2.541 468 F HA 0.727 5.254 4.527 -0.000 0.000 0.331 468 F C 0.277 176.157 175.800 0.133 0.000 1.057 468 F CA -0.916 57.102 58.000 0.030 0.000 0.975 468 F CB 2.113 41.105 39.000 -0.013 0.000 1.246 468 F HN 0.325 nan 8.300 nan 0.000 0.484 469 T N 1.315 115.994 114.554 0.208 0.000 3.012 469 T HA 0.344 4.694 4.350 -0.000 0.000 0.330 469 T C -0.962 173.783 174.700 0.074 0.000 1.321 469 T CA -0.855 61.307 62.100 0.103 0.000 1.067 469 T CB 0.792 69.669 68.868 0.016 0.000 1.235 469 T HN 0.547 nan 8.240 nan 0.000 0.479 470 N N 1.129 119.859 118.700 0.050 0.000 2.418 470 N HA 0.403 5.143 4.740 -0.000 0.000 0.283 470 N C 0.677 176.209 175.510 0.036 0.000 1.267 470 N CA -0.347 52.727 53.050 0.040 0.000 0.975 470 N CB 0.314 38.818 38.487 0.027 0.000 1.167 470 N HN 0.818 nan 8.380 nan 0.000 0.581 471 G N -1.605 107.218 108.800 0.038 0.000 2.491 471 G HA2 0.331 4.290 3.960 -0.000 0.000 0.242 471 G HA3 0.331 4.290 3.960 -0.000 0.000 0.242 471 G C 0.757 175.707 174.900 0.083 0.000 1.266 471 G CA 0.114 45.245 45.100 0.053 0.000 0.844 471 G HN 0.719 nan 8.290 nan 0.000 0.571 472 G N -0.486 108.399 108.800 0.142 0.000 2.396 472 G HA2 0.044 4.003 3.960 -0.000 0.000 0.288 472 G HA3 0.044 4.003 3.960 -0.000 0.000 0.288 472 G C 0.440 175.453 174.900 0.187 0.000 0.926 472 G CA 1.192 46.447 45.100 0.259 0.000 1.211 472 G HN 1.450 nan 8.290 nan 0.000 0.496 473 S N -1.926 113.824 115.700 0.084 0.000 2.705 473 S HA 0.812 5.282 4.470 -0.000 0.000 0.280 473 S C -0.955 173.609 174.600 -0.060 0.000 1.174 473 S CA 0.077 58.283 58.200 0.009 0.000 0.823 473 S CB 2.425 65.628 63.200 0.005 0.000 1.162 473 S HN 1.655 nan 8.310 nan 0.000 0.487 474 V N 1.337 121.187 119.914 -0.106 0.000 2.851 474 V HA 0.811 4.931 4.120 -0.000 0.000 0.307 474 V C -1.179 174.804 176.094 -0.186 0.000 1.129 474 V CA -0.080 62.123 62.300 -0.161 0.000 0.932 474 V CB 1.897 33.598 31.823 -0.204 0.000 1.024 474 V HN 0.947 nan 8.190 nan 0.000 0.426 475 S N 3.924 119.487 115.700 -0.227 0.000 2.568 475 S HA 0.837 5.306 4.470 -0.000 0.000 0.293 475 S C -1.042 173.318 174.600 -0.399 0.000 1.089 475 S CA -0.580 57.412 58.200 -0.347 0.000 0.945 475 S CB 2.043 64.978 63.200 -0.442 0.000 1.077 475 S HN 0.793 nan 8.310 nan 0.000 0.485 476 V N 3.216 122.850 119.914 -0.467 0.000 2.443 476 V HA 0.305 4.425 4.120 -0.000 0.000 0.272 476 V C -1.574 174.288 176.094 -0.387 0.000 1.002 476 V CA -0.663 61.421 62.300 -0.361 0.000 0.840 476 V CB 0.013 31.684 31.823 -0.253 0.000 1.042 476 V HN 0.834 nan 8.190 nan 0.000 0.446 477 Y N 3.569 123.754 120.300 -0.192 0.000 2.359 477 Y HA 0.585 5.134 4.550 -0.000 0.000 0.330 477 Y C 0.530 176.210 175.900 -0.367 0.000 1.143 477 Y CA -0.338 57.703 58.100 -0.098 0.000 1.318 477 Y CB 1.374 39.995 38.460 0.267 0.000 1.234 477 Y HN 0.521 nan 8.280 nan 0.000 0.522 478 V N -0.216 119.428 119.914 -0.448 0.000 3.188 478 V HA 0.408 4.528 4.120 -0.000 0.000 0.305 478 V C -0.691 174.792 176.094 -1.018 0.000 1.232 478 V CA -1.395 60.250 62.300 -1.093 0.000 1.043 478 V CB 2.196 33.235 31.823 -1.306 0.000 1.068 478 V HN 0.834 nan 8.190 nan 0.000 0.439 479 N N 2.322 120.358 118.700 -1.107 0.000 2.819 479 N HA 0.177 4.917 4.740 -0.000 0.000 0.284 479 N C 0.037 175.470 175.510 -0.129 0.000 1.196 479 N CA -0.167 52.648 53.050 -0.393 0.000 1.114 479 N CB 0.239 38.707 38.487 -0.032 0.000 1.437 479 N HN 0.888 nan 8.380 nan 0.000 0.518 480 Q N 0.000 119.714 119.800 -0.144 0.000 2.315 480 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 480 Q CA 0.000 55.770 55.803 -0.055 0.000 1.022 480 Q CB 0.000 28.657 28.738 -0.135 0.000 1.108 480 Q HN 0.000 nan 8.270 nan 0.000 0.481