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 3hke_1_A DATA FIRST_RESID 2 DATA SEQUENCE RECISIHVGQ AGVQIGNACW ELYCLEHGIQ PDGQMPXXXX XXXXXDSFNT DATA SEQUENCE FFSETGAGKH VPRAVFVDLE PTVIDEVRTG TYRQLFHPEQ LITGKEDAAN DATA SEQUENCE NYARGHYTIG KEIIDLVLDR IRKLADQCTG LQGFLVFHSF GGGTGSGFTS DATA SEQUENCE LLMERLSVDY GKKSKLEFSI YPAPQVSTAV VEPYNSILTT HTTLEHSDCA DATA SEQUENCE FMVDNEAIYD ICRRNLDIER PTYTNLNRLI GQIVSSITAS LRFDGALNVD DATA SEQUENCE LTEFQTNLVP YPRIHFPLAT YAPVISAEKA YHEQLSVAEI TNACFEPANQ DATA SEQUENCE MVKCDPRHGK YMACCLLYRG DVVPKDVNAA IATIKTKRTI QFVDWCPTGF DATA SEQUENCE KVGINYQPPT VVPGGDLAKV QRAVCMLSNT TAIAEAWARL DHKFDLMYAK DATA SEQUENCE RAFVHWYVGE GMEEGEFSEA REDMAALEKD YEEVGV 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.277 176.300 -0.039 0.000 0.893 2 R CA 0.000 56.087 56.100 -0.022 0.000 0.921 2 R CB 0.000 30.285 30.300 -0.024 0.000 0.687 3 E N 0.169 120.326 120.200 -0.072 0.000 2.869 3 E HA 0.356 4.706 4.350 -0.000 0.000 0.258 3 E C -0.630 175.850 176.600 -0.199 0.000 1.354 3 E CA 0.028 56.363 56.400 -0.107 0.000 1.065 3 E CB 0.737 30.379 29.700 -0.096 0.000 1.215 3 E HN 0.359 nan 8.360 nan 0.000 0.659 4 C N 1.028 120.161 119.300 -0.279 0.000 3.149 4 C HA 0.299 4.759 4.460 -0.000 0.000 0.383 4 C C -1.290 173.450 174.990 -0.416 0.000 1.018 4 C CA -0.473 58.288 59.018 -0.429 0.000 1.293 4 C CB -0.913 26.452 27.740 -0.625 0.000 1.640 4 C HN 0.538 nan 8.230 nan 0.000 0.546 5 I N 4.102 124.517 120.570 -0.257 0.000 2.352 5 I HA 0.255 4.425 4.170 -0.000 0.000 0.290 5 I C 0.713 176.934 176.117 0.173 0.000 1.036 5 I CA 0.776 62.074 61.300 -0.003 0.000 1.336 5 I CB 1.419 39.504 38.000 0.141 0.000 1.407 5 I HN 0.557 nan 8.210 nan 0.000 0.497 6 S N 7.249 123.142 115.700 0.321 0.000 2.513 6 S HA 0.550 5.020 4.470 -0.000 0.000 0.276 6 S C -0.155 174.778 174.600 0.554 0.000 1.254 6 S CA -0.444 58.085 58.200 0.549 0.000 1.053 6 S CB 0.672 64.457 63.200 0.976 0.000 0.958 6 S HN 0.319 nan 8.310 nan 0.000 0.491 7 I N 3.308 124.143 120.570 0.442 0.000 2.433 7 I HA 0.337 4.507 4.170 -0.000 0.000 0.292 7 I C -0.972 175.374 176.117 0.381 0.000 1.001 7 I CA -0.745 60.805 61.300 0.416 0.000 1.119 7 I CB 1.338 39.449 38.000 0.184 0.000 1.289 7 I HN 0.590 nan 8.210 nan 0.000 0.438 8 H N 4.796 124.080 119.070 0.358 0.000 2.685 8 H HA 0.414 4.970 4.556 -0.000 0.000 0.307 8 H C -0.621 174.750 175.328 0.071 0.000 1.017 8 H CA -0.587 55.543 56.048 0.138 0.000 1.237 8 H CB 1.656 31.191 29.762 -0.377 0.000 1.409 8 H HN 0.282 nan 8.280 nan 0.000 0.488 9 V N 3.246 123.293 119.914 0.221 0.000 2.370 9 V HA 0.792 4.912 4.120 -0.000 0.000 0.283 9 V C 0.320 176.501 176.094 0.144 0.000 1.023 9 V CA 0.491 62.910 62.300 0.199 0.000 0.857 9 V CB 0.453 32.443 31.823 0.279 0.000 0.985 9 V HN 1.084 nan 8.190 nan 0.000 0.443 10 G N 4.672 113.513 108.800 0.068 0.000 2.862 10 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.686 10 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.686 10 G C 0.121 175.016 174.900 -0.008 0.000 1.134 10 G CA 0.719 45.839 45.100 0.033 0.000 0.791 10 G HN 1.733 nan 8.290 nan 0.000 0.592 11 Q N 1.717 121.494 119.800 -0.038 0.000 2.190 11 Q HA -0.347 3.993 4.340 -0.000 0.000 0.220 11 Q C 2.893 178.827 176.000 -0.110 0.000 1.080 11 Q CA 4.688 60.448 55.803 -0.073 0.000 0.946 11 Q CB -0.705 27.997 28.738 -0.060 0.000 1.070 11 Q HN 2.231 nan 8.270 nan 0.000 0.468 12 A N -0.058 122.694 122.820 -0.114 0.000 1.869 12 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 12 A C 2.387 179.921 177.584 -0.083 0.000 1.203 12 A CA 2.637 54.586 52.037 -0.146 0.000 0.638 12 A CB -1.937 16.999 19.000 -0.107 0.000 0.831 12 A HN 0.793 nan 8.150 nan 0.000 0.450 13 G N -0.891 107.905 108.800 -0.006 0.000 2.505 13 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.220 13 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.220 13 G C 1.532 176.409 174.900 -0.038 0.000 1.145 13 G CA 1.604 46.741 45.100 0.063 0.000 0.761 13 G HN 0.407 nan 8.290 nan 0.000 0.571 14 V N 0.191 120.006 119.914 -0.165 0.000 2.244 14 V HA -0.230 3.890 4.120 -0.000 0.000 0.244 14 V C 2.842 178.725 176.094 -0.352 0.000 1.042 14 V CA 2.366 64.406 62.300 -0.433 0.000 1.006 14 V CB -0.769 30.845 31.823 -0.348 0.000 0.641 14 V HN 0.392 nan 8.190 nan 0.000 0.446 15 Q N -0.878 118.801 119.800 -0.203 0.000 2.084 15 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 15 Q C 2.178 178.101 176.000 -0.127 0.000 0.978 15 Q CA 1.808 57.527 55.803 -0.141 0.000 0.844 15 Q CB -0.281 28.383 28.738 -0.124 0.000 0.898 15 Q HN 0.513 nan 8.270 nan 0.000 0.426 16 I N 0.252 120.744 120.570 -0.132 0.000 2.069 16 I HA -0.286 3.884 4.170 -0.000 0.000 0.237 16 I C 2.217 178.209 176.117 -0.208 0.000 1.053 16 I CA 2.034 63.252 61.300 -0.137 0.000 1.311 16 I CB -1.123 36.829 38.000 -0.080 0.000 1.030 16 I HN 0.289 nan 8.210 nan 0.000 0.398 17 G N -0.172 108.507 108.800 -0.201 0.000 2.514 17 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.217 17 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.217 17 G C 1.610 176.519 174.900 0.016 0.000 1.198 17 G CA 1.248 46.273 45.100 -0.125 0.000 0.780 17 G HN 0.392 nan 8.290 nan 0.000 0.565 18 N N 1.213 119.911 118.700 -0.004 0.000 2.242 18 N HA -0.145 4.594 4.740 -0.000 0.000 0.193 18 N C 1.952 177.547 175.510 0.142 0.000 1.000 18 N CA 1.563 54.712 53.050 0.166 0.000 0.885 18 N CB -0.296 38.232 38.487 0.068 0.000 0.988 18 N HN 0.350 nan 8.380 nan 0.000 0.444 19 A N -1.686 121.137 122.820 0.005 0.000 2.390 19 A HA 0.148 4.468 4.320 -0.000 0.000 0.232 19 A C 2.110 179.608 177.584 -0.144 0.000 1.233 19 A CA 0.266 52.291 52.037 -0.020 0.000 0.907 19 A CB -0.148 18.832 19.000 -0.033 0.000 0.967 19 A HN 0.516 nan 8.150 nan 0.000 0.512 20 C N -3.571 115.544 119.300 -0.309 0.000 2.525 20 C HA 0.129 4.589 4.460 -0.000 0.000 0.291 20 C C 2.075 176.464 174.990 -1.002 0.000 1.351 20 C CA -0.399 58.219 59.018 -0.667 0.000 1.771 20 C CB -1.888 25.332 27.740 -0.867 0.000 2.177 20 C HN 0.762 nan 8.230 nan 0.000 0.510 21 W N 2.233 123.200 121.300 -0.555 0.000 2.338 21 W HA -0.131 4.529 4.660 -0.000 0.000 0.304 21 W C 2.642 179.005 176.519 -0.260 0.000 1.212 21 W CA 1.885 59.001 57.345 -0.382 0.000 1.264 21 W CB -0.339 29.061 29.460 -0.100 0.000 1.142 21 W HN 0.462 nan 8.180 nan 0.000 0.512 22 E N 0.476 120.696 120.200 0.034 0.000 2.048 22 E HA -0.333 4.017 4.350 -0.000 0.000 0.202 22 E C 2.078 178.717 176.600 0.066 0.000 1.021 22 E CA 2.022 58.489 56.400 0.112 0.000 0.825 22 E CB -0.591 29.287 29.700 0.297 0.000 0.756 22 E HN 0.191 nan 8.360 nan 0.000 0.454 23 L N 0.323 121.516 121.223 -0.051 0.000 2.046 23 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 23 L C 2.191 179.117 176.870 0.094 0.000 1.077 23 L CA 1.780 56.608 54.840 -0.019 0.000 0.747 23 L CB -0.735 41.271 42.059 -0.088 0.000 0.896 23 L HN 0.354 nan 8.230 nan 0.000 0.432 24 Y N -2.058 118.243 120.300 0.002 0.000 2.128 24 Y HA -0.356 4.194 4.550 -0.000 0.000 0.284 24 Y C 2.769 178.792 175.900 0.204 0.000 1.154 24 Y CA 0.824 58.976 58.100 0.086 0.000 1.149 24 Y CB -0.910 37.564 38.460 0.023 0.000 0.976 24 Y HN 0.259 nan 8.280 nan 0.000 0.505 25 C N -0.182 119.309 119.300 0.317 0.000 2.413 25 C HA -0.205 4.255 4.460 -0.000 0.000 0.277 25 C C 2.665 177.698 174.990 0.072 0.000 1.265 25 C CA 0.677 59.772 59.018 0.130 0.000 1.752 25 C CB -1.284 26.482 27.740 0.043 0.000 1.998 25 C HN 0.463 nan 8.230 nan 0.000 0.489 26 L N 0.471 121.750 121.223 0.093 0.000 2.027 26 L HA -0.082 4.258 4.340 -0.000 0.000 0.206 26 L C 2.431 179.315 176.870 0.023 0.000 1.074 26 L CA 1.721 56.598 54.840 0.062 0.000 0.745 26 L CB -0.874 41.226 42.059 0.067 0.000 0.898 26 L HN 0.336 nan 8.230 nan 0.000 0.433 27 E N -1.403 118.804 120.200 0.012 0.000 2.209 27 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 27 E C 1.130 177.566 176.600 -0.275 0.000 0.993 27 E CA 0.957 57.301 56.400 -0.094 0.000 0.819 27 E CB 0.099 29.746 29.700 -0.088 0.000 0.745 27 E HN 0.580 nan 8.360 nan 0.000 0.477 28 H N -1.936 117.106 119.070 -0.047 0.000 2.784 28 H HA 0.211 4.767 4.556 -0.000 0.000 0.273 28 H C 0.859 176.052 175.328 -0.225 0.000 1.112 28 H CA 0.565 56.490 56.048 -0.206 0.000 1.162 28 H CB 1.274 30.669 29.762 -0.612 0.000 1.586 28 H HN 0.229 nan 8.280 nan 0.000 0.548 29 G N 2.124 110.898 108.800 -0.043 0.000 2.273 29 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.280 29 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.280 29 G C 0.052 174.907 174.900 -0.074 0.000 1.047 29 G CA 0.121 45.202 45.100 -0.032 0.000 0.869 29 G HN 0.358 nan 8.290 nan 0.000 0.502 30 I N 0.168 120.657 120.570 -0.135 0.000 2.315 30 I HA 0.285 4.455 4.170 -0.000 0.000 0.291 30 I C 0.800 176.894 176.117 -0.038 0.000 1.006 30 I CA -0.634 60.571 61.300 -0.158 0.000 1.265 30 I CB 1.259 39.038 38.000 -0.367 0.000 1.387 30 I HN 0.143 nan 8.210 nan 0.000 0.475 31 Q N 8.106 127.910 119.800 0.007 0.000 2.373 31 Q HA 0.146 4.486 4.340 -0.000 0.000 0.255 31 Q C -1.337 174.720 176.000 0.095 0.000 0.980 31 Q CA -1.201 54.641 55.803 0.065 0.000 0.882 31 Q CB 0.670 29.440 28.738 0.054 0.000 1.249 31 Q HN 0.358 nan 8.270 nan 0.000 0.438 32 P HA -0.286 nan 4.420 nan 0.000 0.219 32 P C 0.176 177.564 177.300 0.147 0.000 1.151 32 P CA 1.631 64.915 63.100 0.306 0.000 0.850 32 P CB -0.042 31.885 31.700 0.379 0.000 0.784 33 D N -1.847 118.604 120.400 0.085 0.000 2.390 33 D HA -0.055 4.585 4.640 -0.000 0.000 0.235 33 D C 1.497 177.802 176.300 0.008 0.000 1.040 33 D CA 0.985 55.009 54.000 0.040 0.000 0.923 33 D CB -0.650 40.166 40.800 0.026 0.000 0.886 33 D HN 0.285 nan 8.370 nan 0.000 0.532 34 G N -0.416 108.387 108.800 0.006 0.000 2.363 34 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.238 34 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.238 34 G C 0.608 175.521 174.900 0.022 0.000 1.062 34 G CA 0.550 45.641 45.100 -0.015 0.000 0.629 34 G HN 0.903 nan 8.290 nan 0.000 0.514 35 Q N 0.881 120.690 119.800 0.016 0.000 2.288 35 Q HA 0.798 5.138 4.340 -0.000 0.000 0.254 35 Q C 0.353 176.394 176.000 0.069 0.000 0.932 35 Q CA 0.405 56.228 55.803 0.034 0.000 0.902 35 Q CB 0.254 28.994 28.738 0.004 0.000 1.203 35 Q HN 1.616 nan 8.270 nan 0.000 0.415 36 M N 1.184 120.862 119.600 0.130 0.000 2.578 36 M HA 0.950 5.430 4.480 -0.000 0.000 0.321 36 M C -2.475 173.875 176.300 0.083 0.000 1.182 36 M CA -1.774 53.573 55.300 0.077 0.000 0.965 36 M CB 1.818 34.437 32.600 0.032 0.000 1.694 36 M HN 0.455 nan 8.290 nan 0.000 0.461 48 S N -1.174 114.389 115.700 -0.229 0.000 4.141 48 S HA -0.285 4.185 4.470 -0.000 0.000 0.443 48 S C 1.043 175.571 174.600 -0.119 0.000 1.849 48 S CA 3.333 61.436 58.200 -0.161 0.000 4.221 48 S CB -1.766 61.348 63.200 -0.143 0.000 0.370 48 S HN 1.651 nan 8.310 nan 0.000 0.455 49 F N 1.255 121.165 119.950 -0.067 0.000 2.682 49 F HA 0.556 5.083 4.527 -0.000 0.000 0.308 49 F C 1.088 176.879 175.800 -0.015 0.000 1.093 49 F CA 0.092 57.982 58.000 -0.184 0.000 1.244 49 F CB -1.027 37.646 39.000 -0.545 0.000 1.052 49 F HN 0.262 nan 8.300 nan 0.000 0.573 50 N N 1.035 119.764 118.700 0.049 0.000 2.513 50 N HA -0.188 4.552 4.740 -0.000 0.000 0.187 50 N C 1.955 177.573 175.510 0.179 0.000 1.056 50 N CA 1.210 54.353 53.050 0.156 0.000 0.907 50 N CB -0.038 38.445 38.487 -0.007 0.000 0.954 50 N HN 0.678 nan 8.380 nan 0.000 0.445 51 T N -0.902 113.757 114.554 0.176 0.000 2.803 51 T HA -0.150 4.200 4.350 -0.000 0.000 0.269 51 T C 1.385 176.150 174.700 0.108 0.000 1.052 51 T CA 1.227 63.419 62.100 0.153 0.000 1.136 51 T CB -0.260 68.752 68.868 0.239 0.000 0.864 51 T HN 0.103 nan 8.240 nan 0.000 0.467 52 F N -1.479 118.460 119.950 -0.018 0.000 2.712 52 F HA 0.430 4.957 4.527 -0.000 0.000 0.297 52 F C -0.086 175.589 175.800 -0.208 0.000 1.114 52 F CA -1.026 56.903 58.000 -0.118 0.000 1.305 52 F CB 0.709 39.504 39.000 -0.343 0.000 1.086 52 F HN 0.072 nan 8.300 nan 0.000 0.599 53 F N -0.245 119.880 119.950 0.292 0.000 2.522 53 F HA 0.476 5.003 4.527 -0.000 0.000 0.324 53 F C 0.283 176.189 175.800 0.178 0.000 1.077 53 F CA -1.245 56.874 58.000 0.198 0.000 0.944 53 F CB 1.556 40.650 39.000 0.157 0.000 1.175 53 F HN -0.355 nan 8.300 nan 0.000 0.468 54 S N -0.292 115.604 115.700 0.325 0.000 2.454 54 S HA 0.551 5.021 4.470 -0.000 0.000 0.306 54 S C -0.064 174.672 174.600 0.227 0.000 1.100 54 S CA -0.660 57.671 58.200 0.219 0.000 1.087 54 S CB 1.345 64.615 63.200 0.117 0.000 1.019 54 S HN 0.765 nan 8.310 nan 0.000 0.480 55 E N 1.260 121.570 120.200 0.184 0.000 2.705 55 E HA 0.424 4.773 4.350 -0.000 0.000 0.272 55 E C 0.724 177.330 176.600 0.011 0.000 1.528 55 E CA 0.067 56.522 56.400 0.092 0.000 1.750 55 E CB -1.598 28.159 29.700 0.095 0.000 1.439 55 E HN 1.107 nan 8.360 nan 0.000 0.449 56 T N 0.201 114.778 114.554 0.038 0.000 2.946 56 T HA 0.500 4.850 4.350 -0.000 0.000 0.311 56 T C 1.355 176.055 174.700 0.000 0.000 1.063 56 T CA 0.779 62.904 62.100 0.042 0.000 1.139 56 T CB -0.014 68.926 68.868 0.121 0.000 0.994 56 T HN 1.700 nan 8.240 nan 0.000 0.547 57 G N 0.702 109.509 108.800 0.011 0.000 2.692 57 G HA2 0.321 4.281 3.960 -0.000 0.000 0.248 57 G HA3 0.321 4.281 3.960 -0.000 0.000 0.248 57 G C 0.444 175.325 174.900 -0.032 0.000 1.340 57 G CA 0.192 45.288 45.100 -0.008 0.000 0.896 57 G HN 2.173 nan 8.290 nan 0.000 0.570 58 A N -0.562 122.236 122.820 -0.036 0.000 3.113 58 A HA 0.776 5.096 4.320 -0.000 0.000 0.307 58 A C 1.130 178.680 177.584 -0.057 0.000 1.025 58 A CA 0.941 52.951 52.037 -0.044 0.000 1.012 58 A CB -0.264 18.722 19.000 -0.024 0.000 1.085 58 A HN 2.486 nan 8.150 nan 0.000 0.519 59 G N -0.660 108.084 108.800 -0.093 0.000 3.812 59 G HA2 0.170 4.130 3.960 -0.000 0.000 0.149 59 G HA3 0.170 4.130 3.960 -0.000 0.000 0.149 59 G C 0.384 175.185 174.900 -0.165 0.000 1.225 59 G CA -0.078 44.963 45.100 -0.099 0.000 0.812 59 G HN 0.381 nan 8.290 nan 0.000 0.753 60 K N -0.837 119.439 120.400 -0.206 0.000 2.393 60 K HA 0.705 5.025 4.320 -0.000 0.000 0.241 60 K C 0.283 176.660 176.600 -0.371 0.000 1.055 60 K CA -0.792 55.370 56.287 -0.208 0.000 0.951 60 K CB 1.176 33.604 32.500 -0.121 0.000 1.285 60 K HN 0.026 nan 8.250 nan 0.000 0.500 61 H N -0.970 118.071 119.070 -0.050 0.000 3.794 61 H HA 0.029 4.585 4.556 -0.000 0.000 0.258 61 H C -0.651 174.720 175.328 0.071 0.000 1.120 61 H CA 0.243 56.272 56.048 -0.032 0.000 1.166 61 H CB 0.630 30.271 29.762 -0.202 0.000 1.517 61 H HN 0.321 nan 8.280 nan 0.000 0.615 62 V N 3.780 123.746 119.914 0.085 0.000 4.492 62 V HA -0.180 3.940 4.120 -0.000 0.000 0.478 62 V C -2.847 173.246 176.094 -0.001 0.000 0.803 62 V CA -0.569 61.722 62.300 -0.015 0.000 1.847 62 V CB -0.015 31.837 31.823 0.048 0.000 2.145 62 V HN 0.049 nan 8.190 nan 0.000 0.499 63 P HA 0.147 nan 4.420 nan 0.000 0.266 63 P C -0.115 176.892 177.300 -0.490 0.000 1.195 63 P CA 0.081 62.693 63.100 -0.814 0.000 0.768 63 P CB 0.311 30.829 31.700 -1.969 0.000 0.838 64 R N 2.050 122.388 120.500 -0.270 0.000 4.154 64 R HA 0.409 4.749 4.340 -0.000 0.000 0.186 64 R C 0.065 176.346 176.300 -0.030 0.000 1.750 64 R CA 0.067 56.106 56.100 -0.100 0.000 1.431 64 R CB -0.694 29.573 30.300 -0.056 0.000 1.383 64 R HN 0.447 nan 8.270 nan 0.000 0.788 65 A N 0.453 123.192 122.820 -0.134 0.000 2.469 65 A HA 0.662 4.982 4.320 -0.000 0.000 0.299 65 A C -1.025 176.597 177.584 0.063 0.000 1.098 65 A CA -0.693 51.356 52.037 0.021 0.000 0.737 65 A CB 2.354 21.172 19.000 -0.305 0.000 1.312 65 A HN 0.226 nan 8.150 nan 0.000 0.414 66 V N 1.331 121.411 119.914 0.277 0.000 2.760 66 V HA 0.818 4.938 4.120 -0.000 0.000 0.309 66 V C -2.146 174.293 176.094 0.576 0.000 1.077 66 V CA -0.700 61.757 62.300 0.261 0.000 0.910 66 V CB 1.526 33.472 31.823 0.205 0.000 1.008 66 V HN 0.711 nan 8.190 nan 0.000 0.424 67 F N 5.776 125.775 119.950 0.082 0.000 2.482 67 F HA 0.814 5.341 4.527 -0.000 0.000 0.331 67 F C 0.061 175.877 175.800 0.027 0.000 1.115 67 F CA -1.126 56.903 58.000 0.048 0.000 0.955 67 F CB 2.111 41.046 39.000 -0.109 0.000 1.136 67 F HN 0.530 nan 8.300 nan 0.000 0.452 68 V N 0.456 120.486 119.914 0.194 0.000 2.709 68 V HA 0.820 4.940 4.120 -0.000 0.000 0.308 68 V C -1.339 174.740 176.094 -0.026 0.000 1.062 68 V CA -0.612 61.718 62.300 0.050 0.000 0.901 68 V CB 2.179 34.020 31.823 0.029 0.000 1.003 68 V HN 0.617 nan 8.190 nan 0.000 0.425 69 D N 1.798 122.143 120.400 -0.092 0.000 2.717 69 D HA 0.573 5.213 4.640 -0.000 0.000 0.223 69 D C 0.003 176.219 176.300 -0.140 0.000 1.240 69 D CA -0.546 53.392 54.000 -0.104 0.000 0.801 69 D CB 2.373 43.135 40.800 -0.063 0.000 1.556 69 D HN 0.334 nan 8.370 nan 0.000 0.462 70 L N 1.190 122.326 121.223 -0.144 0.000 2.341 70 L HA 0.187 4.527 4.340 -0.000 0.000 0.214 70 L C 1.187 178.006 176.870 -0.085 0.000 1.115 70 L CA 0.594 55.351 54.840 -0.138 0.000 0.820 70 L CB -0.389 41.580 42.059 -0.150 0.000 0.944 70 L HN 0.484 nan 8.230 nan 0.000 0.452 71 E N 0.938 121.099 120.200 -0.065 0.000 2.216 71 E HA 0.167 4.517 4.350 -0.000 0.000 0.279 71 E C -2.176 174.397 176.600 -0.044 0.000 0.997 71 E CA -1.813 54.558 56.400 -0.047 0.000 0.817 71 E CB 1.938 31.616 29.700 -0.036 0.000 1.096 71 E HN -0.074 nan 8.360 nan 0.000 0.393 72 P HA -0.085 nan 4.420 nan 0.000 0.216 72 P C 1.073 178.355 177.300 -0.029 0.000 1.153 72 P CA 1.366 64.446 63.100 -0.034 0.000 0.844 72 P CB 0.026 31.709 31.700 -0.028 0.000 0.787 73 T N -0.032 114.507 114.554 -0.025 0.000 2.719 73 T HA -0.250 4.100 4.350 -0.000 0.000 0.254 73 T C 1.690 176.377 174.700 -0.022 0.000 1.106 73 T CA 2.467 64.555 62.100 -0.020 0.000 1.146 73 T CB -1.664 67.194 68.868 -0.016 0.000 0.839 73 T HN -0.043 nan 8.240 nan 0.000 0.473 74 V N 0.949 120.847 119.914 -0.027 0.000 2.446 74 V HA 0.032 4.152 4.120 -0.000 0.000 0.244 74 V C 2.506 178.579 176.094 -0.035 0.000 1.039 74 V CA 0.836 63.117 62.300 -0.032 0.000 1.045 74 V CB -0.583 31.213 31.823 -0.044 0.000 0.681 74 V HN 0.430 nan 8.190 nan 0.000 0.459 75 I N 0.410 120.960 120.570 -0.032 0.000 2.439 75 I HA -0.135 4.035 4.170 -0.000 0.000 0.251 75 I C 2.278 178.372 176.117 -0.038 0.000 1.139 75 I CA 1.296 62.583 61.300 -0.022 0.000 1.438 75 I CB -1.049 36.945 38.000 -0.009 0.000 1.085 75 I HN 0.308 nan 8.210 nan 0.000 0.427 76 D N 1.731 122.111 120.400 -0.033 0.000 2.092 76 D HA -0.210 4.430 4.640 -0.000 0.000 0.193 76 D C 2.316 178.596 176.300 -0.032 0.000 0.994 76 D CA 2.137 56.118 54.000 -0.032 0.000 0.828 76 D CB -0.044 40.741 40.800 -0.025 0.000 0.963 76 D HN 0.480 nan 8.370 nan 0.000 0.450 77 E N 0.614 120.798 120.200 -0.027 0.000 2.171 77 E HA -0.172 4.178 4.350 -0.000 0.000 0.197 77 E C 2.363 178.947 176.600 -0.027 0.000 0.997 77 E CA 1.376 57.763 56.400 -0.023 0.000 0.810 77 E CB -1.027 28.664 29.700 -0.016 0.000 0.738 77 E HN 0.205 nan 8.360 nan 0.000 0.467 78 V N 1.478 121.367 119.914 -0.041 0.000 2.287 78 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 78 V C 2.264 178.316 176.094 -0.070 0.000 1.053 78 V CA 2.064 64.323 62.300 -0.067 0.000 1.027 78 V CB -0.641 31.086 31.823 -0.160 0.000 0.646 78 V HN 0.671 nan 8.190 nan 0.000 0.447 79 R N -0.242 120.214 120.500 -0.074 0.000 2.541 79 R HA 0.142 4.482 4.340 -0.000 0.000 0.245 79 R C 1.090 177.374 176.300 -0.026 0.000 1.154 79 R CA 0.549 56.619 56.100 -0.050 0.000 1.179 79 R CB -0.375 29.893 30.300 -0.053 0.000 1.189 79 R HN 0.400 nan 8.270 nan 0.000 0.526 80 T N -0.583 113.958 114.554 -0.022 0.000 3.138 80 T HA 0.124 4.474 4.350 -0.000 0.000 0.245 80 T C 0.911 175.601 174.700 -0.017 0.000 0.982 80 T CA 0.470 62.560 62.100 -0.017 0.000 1.134 80 T CB 0.562 69.418 68.868 -0.019 0.000 1.032 80 T HN 0.449 nan 8.240 nan 0.000 0.442 81 G N 3.096 111.884 108.800 -0.021 0.000 2.325 81 G HA2 0.453 4.413 3.960 -0.000 0.000 0.298 81 G HA3 0.453 4.413 3.960 -0.000 0.000 0.298 81 G C 0.008 174.880 174.900 -0.046 0.000 1.134 81 G CA -0.444 44.630 45.100 -0.044 0.000 0.876 81 G HN 0.336 nan 8.290 nan 0.000 0.452 82 T N 0.518 115.026 114.554 -0.076 0.000 2.720 82 T HA -0.170 4.180 4.350 -0.000 0.000 0.255 82 T C 0.551 175.222 174.700 -0.048 0.000 1.021 82 T CA 1.041 63.106 62.100 -0.058 0.000 1.145 82 T CB -0.173 68.627 68.868 -0.113 0.000 1.036 82 T HN 0.975 nan 8.240 nan 0.000 0.479 83 Y N -0.903 119.435 120.300 0.064 0.000 3.700 83 Y HA -0.281 4.269 4.550 -0.000 0.000 0.373 83 Y C 2.223 178.197 175.900 0.123 0.000 1.362 83 Y CA 0.078 58.257 58.100 0.131 0.000 1.567 83 Y CB -1.312 37.249 38.460 0.169 0.000 0.795 83 Y HN 0.634 nan 8.280 nan 0.000 0.376 84 R N 1.470 122.088 120.500 0.197 0.000 2.153 84 R HA -0.238 4.102 4.340 -0.000 0.000 0.252 84 R C 1.405 177.762 176.300 0.096 0.000 1.158 84 R CA 2.238 58.392 56.100 0.091 0.000 0.975 84 R CB -0.059 30.266 30.300 0.041 0.000 0.871 84 R HN 0.395 nan 8.270 nan 0.000 0.450 85 Q N 0.073 119.939 119.800 0.111 0.000 2.432 85 Q HA -0.064 4.276 4.340 -0.000 0.000 0.205 85 Q C 1.796 177.823 176.000 0.046 0.000 0.945 85 Q CA 0.421 56.259 55.803 0.059 0.000 0.924 85 Q CB 0.131 28.899 28.738 0.050 0.000 1.016 85 Q HN 0.261 nan 8.270 nan 0.000 0.503 86 L N -0.687 120.614 121.223 0.130 0.000 2.084 86 L HA 0.091 4.431 4.340 -0.000 0.000 0.202 86 L C 0.548 177.333 176.870 -0.143 0.000 1.074 86 L CA 1.225 56.062 54.840 -0.005 0.000 0.757 86 L CB -0.231 41.791 42.059 -0.061 0.000 0.918 86 L HN -0.063 nan 8.230 nan 0.000 0.444 87 F N -1.183 118.639 119.950 -0.214 0.000 2.375 87 F HA 0.230 4.757 4.527 -0.000 0.000 0.313 87 F C 0.506 176.189 175.800 -0.194 0.000 1.176 87 F CA -0.612 57.237 58.000 -0.252 0.000 1.142 87 F CB 0.113 38.903 39.000 -0.351 0.000 1.275 87 F HN -0.096 nan 8.300 nan 0.000 0.544 88 H N 2.154 121.245 119.070 0.036 0.000 2.610 88 H HA 0.126 4.682 4.556 -0.000 0.000 0.336 88 H C -1.484 173.847 175.328 0.005 0.000 1.087 88 H CA -1.227 54.825 56.048 0.006 0.000 1.405 88 H CB 1.039 30.791 29.762 -0.017 0.000 1.460 88 H HN 0.190 nan 8.280 nan 0.000 0.538 89 P HA -0.273 nan 4.420 nan 0.000 0.217 89 P C 1.016 178.348 177.300 0.053 0.000 1.148 89 P CA 1.457 64.592 63.100 0.057 0.000 0.834 89 P CB 0.408 32.140 31.700 0.053 0.000 0.783 90 E N 1.535 121.785 120.200 0.084 0.000 2.047 90 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 90 E C 1.889 178.504 176.600 0.026 0.000 0.987 90 E CA 1.075 57.498 56.400 0.038 0.000 0.799 90 E CB -1.261 28.444 29.700 0.008 0.000 0.752 90 E HN 0.459 nan 8.360 nan 0.000 0.449 91 Q N 1.042 120.865 119.800 0.038 0.000 2.561 91 Q HA 0.009 4.349 4.340 -0.000 0.000 0.217 91 Q C 0.657 176.654 176.000 -0.005 0.000 0.980 91 Q CA 0.525 56.337 55.803 0.016 0.000 0.927 91 Q CB -0.548 28.199 28.738 0.014 0.000 0.980 91 Q HN 0.290 nan 8.270 nan 0.000 0.525 92 L N 1.765 122.970 121.223 -0.030 0.000 2.297 92 L HA 0.454 4.794 4.340 -0.000 0.000 0.277 92 L C -0.687 176.184 176.870 0.003 0.000 1.040 92 L CA -0.755 54.069 54.840 -0.027 0.000 0.867 92 L CB 0.467 42.461 42.059 -0.108 0.000 1.244 92 L HN 0.031 nan 8.230 nan 0.000 0.433 93 I N 2.202 122.789 120.570 0.027 0.000 2.396 93 I HA 0.447 4.617 4.170 -0.000 0.000 0.292 93 I C 0.707 176.808 176.117 -0.027 0.000 0.999 93 I CA 0.152 61.450 61.300 -0.003 0.000 1.310 93 I CB 1.778 39.777 38.000 -0.002 0.000 1.404 93 I HN 0.556 nan 8.210 nan 0.000 0.496 94 T N 1.875 116.403 114.554 -0.043 0.000 2.906 94 T HA 0.708 5.058 4.350 -0.000 0.000 0.295 94 T C 0.161 174.819 174.700 -0.070 0.000 1.061 94 T CA -0.546 61.518 62.100 -0.060 0.000 1.000 94 T CB 1.834 70.676 68.868 -0.043 0.000 1.103 94 T HN 0.713 nan 8.240 nan 0.000 0.486 95 G N 1.080 109.830 108.800 -0.084 0.000 4.100 95 G HA2 0.335 4.295 3.960 -0.000 0.000 0.294 95 G HA3 0.335 4.295 3.960 -0.000 0.000 0.294 95 G C 0.555 175.416 174.900 -0.064 0.000 1.040 95 G CA 0.293 45.341 45.100 -0.087 0.000 0.829 95 G HN 0.995 nan 8.290 nan 0.000 0.505 96 K N -0.887 119.483 120.400 -0.049 0.000 6.796 96 K HA -0.268 4.052 4.320 -0.000 0.000 0.469 96 K C 0.364 176.945 176.600 -0.032 0.000 0.368 96 K CA 2.098 58.364 56.287 -0.035 0.000 1.945 96 K CB -0.881 31.602 32.500 -0.028 0.000 0.693 96 K HN 0.544 nan 8.250 nan 0.000 0.773 97 E N 1.101 121.279 120.200 -0.037 0.000 2.238 97 E HA 0.226 4.576 4.350 -0.000 0.000 0.267 97 E C -0.788 175.788 176.600 -0.040 0.000 0.887 97 E CA -0.773 55.609 56.400 -0.031 0.000 0.769 97 E CB 1.534 31.222 29.700 -0.019 0.000 1.187 97 E HN 0.205 nan 8.360 nan 0.000 0.416 98 D N 1.659 122.038 120.400 -0.035 0.000 2.346 98 D HA 0.022 4.662 4.640 -0.000 0.000 0.236 98 D C 0.261 176.538 176.300 -0.038 0.000 1.259 98 D CA 0.725 54.701 54.000 -0.039 0.000 0.898 98 D CB 1.155 41.933 40.800 -0.037 0.000 1.178 98 D HN 0.564 nan 8.370 nan 0.000 0.457 99 A N 0.675 123.473 122.820 -0.037 0.000 2.220 99 A HA 0.400 4.720 4.320 -0.000 0.000 0.211 99 A C 0.994 178.558 177.584 -0.034 0.000 1.176 99 A CA 1.025 53.046 52.037 -0.025 0.000 0.834 99 A CB -0.152 18.841 19.000 -0.011 0.000 0.868 99 A HN 0.861 nan 8.150 nan 0.000 0.488 100 A N 0.309 123.099 122.820 -0.051 0.000 2.466 100 A HA -0.204 4.116 4.320 -0.000 0.000 0.295 100 A C 0.634 178.150 177.584 -0.113 0.000 1.465 100 A CA 0.832 52.817 52.037 -0.088 0.000 0.744 100 A CB -2.389 16.548 19.000 -0.105 0.000 1.098 100 A HN 1.033 nan 8.150 nan 0.000 0.402 101 N N -1.268 117.390 118.700 -0.070 0.000 2.681 101 N HA -0.221 4.519 4.740 -0.000 0.000 0.250 101 N C -0.281 175.200 175.510 -0.049 0.000 1.133 101 N CA 1.805 54.818 53.050 -0.061 0.000 0.732 101 N CB -1.029 37.390 38.487 -0.114 0.000 1.107 101 N HN 1.506 nan 8.380 nan 0.000 0.559 102 N N -1.160 117.520 118.700 -0.033 0.000 2.369 102 N HA 0.035 4.775 4.740 -0.000 0.000 0.287 102 N C 0.573 176.175 175.510 0.153 0.000 1.067 102 N CA -0.603 52.446 53.050 -0.002 0.000 0.888 102 N CB 0.544 38.801 38.487 -0.383 0.000 1.616 102 N HN -0.008 nan 8.380 nan 0.000 0.482 103 Y N 3.646 124.096 120.300 0.249 0.000 2.081 103 Y HA -0.234 4.316 4.550 -0.000 0.000 0.280 103 Y C 2.306 178.370 175.900 0.273 0.000 1.163 103 Y CA 3.181 61.442 58.100 0.268 0.000 1.135 103 Y CB -0.358 38.281 38.460 0.297 0.000 0.970 103 Y HN 0.752 nan 8.280 nan 0.000 0.498 104 A N 0.305 123.498 122.820 0.621 0.000 1.917 104 A HA -0.300 4.020 4.320 -0.000 0.000 0.219 104 A C 2.285 180.072 177.584 0.338 0.000 1.182 104 A CA 2.222 54.611 52.037 0.586 0.000 0.633 104 A CB -0.878 18.517 19.000 0.658 0.000 0.819 104 A HN 0.602 nan 8.150 nan 0.000 0.448 105 R N -0.965 119.637 120.500 0.171 0.000 2.062 105 R HA -0.028 4.312 4.340 -0.000 0.000 0.229 105 R C 2.365 178.709 176.300 0.074 0.000 1.128 105 R CA 1.504 57.673 56.100 0.115 0.000 0.960 105 R CB -0.772 29.556 30.300 0.047 0.000 0.855 105 R HN 0.453 nan 8.270 nan 0.000 0.432 106 G N -0.914 107.900 108.800 0.023 0.000 2.446 106 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.217 106 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.217 106 G C 1.287 176.147 174.900 -0.067 0.000 1.168 106 G CA 1.429 46.523 45.100 -0.010 0.000 0.771 106 G HN 0.496 nan 8.290 nan 0.000 0.551 107 H N -1.060 117.776 119.070 -0.390 0.000 2.326 107 H HA 0.026 4.582 4.556 -0.000 0.000 0.301 107 H C 2.122 177.209 175.328 -0.401 0.000 1.081 107 H CA 1.911 57.590 56.048 -0.615 0.000 1.334 107 H CB 0.065 29.069 29.762 -1.262 0.000 1.385 107 H HN 0.494 nan 8.280 nan 0.000 0.504 108 Y N -2.173 118.188 120.300 0.101 0.000 2.472 108 Y HA 0.112 4.662 4.550 -0.000 0.000 0.288 108 Y C 2.750 178.688 175.900 0.063 0.000 1.154 108 Y CA 0.620 58.783 58.100 0.104 0.000 1.238 108 Y CB -0.216 38.346 38.460 0.170 0.000 1.287 108 Y HN 0.056 nan 8.280 nan 0.000 0.524 109 T N 0.744 115.445 114.554 0.246 0.000 2.668 109 T HA -0.125 4.225 4.350 -0.000 0.000 0.258 109 T C 1.765 176.518 174.700 0.088 0.000 1.051 109 T CA 1.675 63.866 62.100 0.152 0.000 1.155 109 T CB -0.444 68.506 68.868 0.138 0.000 0.864 109 T HN 0.199 nan 8.240 nan 0.000 0.413 110 I N 0.722 121.328 120.570 0.060 0.000 3.226 110 I HA 0.243 4.413 4.170 -0.000 0.000 0.277 110 I C 2.039 178.155 176.117 -0.001 0.000 1.243 110 I CA 0.403 61.713 61.300 0.017 0.000 1.459 110 I CB -0.383 37.614 38.000 -0.005 0.000 1.093 110 I HN 0.246 nan 8.210 nan 0.000 0.453 111 G N 0.305 109.122 108.800 0.029 0.000 2.616 111 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.215 111 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.215 111 G C 1.531 176.479 174.900 0.081 0.000 1.284 111 G CA 0.893 46.041 45.100 0.081 0.000 0.823 111 G HN 0.352 nan 8.290 nan 0.000 0.569 112 K N -0.313 120.116 120.400 0.048 0.000 2.728 112 K HA -0.374 3.946 4.320 -0.000 0.000 0.202 112 K C 2.246 178.870 176.600 0.040 0.000 0.892 112 K CA 2.471 58.783 56.287 0.041 0.000 0.885 112 K CB -0.303 32.233 32.500 0.060 0.000 1.360 112 K HN 0.334 nan 8.250 nan 0.000 0.539 113 E N 0.150 120.367 120.200 0.029 0.000 2.007 113 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 113 E C 2.153 178.758 176.600 0.009 0.000 0.999 113 E CA 1.305 57.713 56.400 0.013 0.000 0.811 113 E CB -0.326 29.373 29.700 -0.002 0.000 0.762 113 E HN 0.392 nan 8.360 nan 0.000 0.450 114 I N 1.373 121.936 120.570 -0.012 0.000 2.617 114 I HA -0.103 4.067 4.170 -0.000 0.000 0.256 114 I C 2.152 178.297 176.117 0.048 0.000 1.167 114 I CA 0.061 61.340 61.300 -0.036 0.000 1.469 114 I CB -0.351 37.556 38.000 -0.156 0.000 1.098 114 I HN 0.104 nan 8.210 nan 0.000 0.436 115 I N 0.728 121.396 120.570 0.164 0.000 2.236 115 I HA -0.372 3.798 4.170 -0.000 0.000 0.249 115 I C 1.932 178.114 176.117 0.108 0.000 1.102 115 I CA 1.893 63.347 61.300 0.256 0.000 1.365 115 I CB -0.536 37.567 38.000 0.172 0.000 1.051 115 I HN 0.297 nan 8.210 nan 0.000 0.420 116 D N 0.145 120.580 120.400 0.059 0.000 2.178 116 D HA -0.160 4.480 4.640 -0.000 0.000 0.202 116 D C 2.047 178.367 176.300 0.034 0.000 0.974 116 D CA 0.830 54.849 54.000 0.032 0.000 0.841 116 D CB 0.124 40.936 40.800 0.019 0.000 0.953 116 D HN 0.297 nan 8.370 nan 0.000 0.478 117 L N 0.645 121.890 121.223 0.036 0.000 2.007 117 L HA -0.135 4.205 4.340 -0.000 0.000 0.205 117 L C 2.401 179.298 176.870 0.045 0.000 1.073 117 L CA 1.253 56.110 54.840 0.029 0.000 0.744 117 L CB -0.644 41.423 42.059 0.014 0.000 0.898 117 L HN -0.175 nan 8.230 nan 0.000 0.435 118 V N -0.113 119.843 119.914 0.070 0.000 2.231 118 V HA -0.366 3.754 4.120 -0.000 0.000 0.250 118 V C 2.584 178.724 176.094 0.077 0.000 1.058 118 V CA 2.257 64.616 62.300 0.099 0.000 1.022 118 V CB -0.873 31.077 31.823 0.211 0.000 0.640 118 V HN 0.509 nan 8.190 nan 0.000 0.445 119 L N 0.383 121.646 121.223 0.066 0.000 2.081 119 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 119 L C 2.162 179.067 176.870 0.057 0.000 1.080 119 L CA 2.626 57.487 54.840 0.035 0.000 0.754 119 L CB -0.556 41.511 42.059 0.012 0.000 0.893 119 L HN 0.584 nan 8.230 nan 0.000 0.433 120 D N -1.058 119.371 120.400 0.048 0.000 2.085 120 D HA -0.243 4.397 4.640 -0.000 0.000 0.199 120 D C 2.364 178.695 176.300 0.052 0.000 0.981 120 D CA 1.337 55.365 54.000 0.047 0.000 0.834 120 D CB -0.155 40.662 40.800 0.028 0.000 0.992 120 D HN 0.158 nan 8.370 nan 0.000 0.457 121 R N -0.028 120.497 120.500 0.042 0.000 2.119 121 R HA -0.170 4.170 4.340 -0.000 0.000 0.246 121 R C 2.477 178.808 176.300 0.050 0.000 1.146 121 R CA 1.613 57.735 56.100 0.037 0.000 0.962 121 R CB -0.488 29.832 30.300 0.033 0.000 0.863 121 R HN 0.341 nan 8.270 nan 0.000 0.442 122 I N 0.011 120.619 120.570 0.064 0.000 2.118 122 I HA -0.332 3.838 4.170 -0.000 0.000 0.241 122 I C 2.622 178.813 176.117 0.124 0.000 1.070 122 I CA 1.564 62.908 61.300 0.074 0.000 1.327 122 I CB -0.257 37.753 38.000 0.017 0.000 1.034 122 I HN 0.209 nan 8.210 nan 0.000 0.405 123 R N 0.992 121.590 120.500 0.162 0.000 2.170 123 R HA -0.217 4.123 4.340 -0.000 0.000 0.242 123 R C 2.108 178.483 176.300 0.125 0.000 1.145 123 R CA 1.493 57.718 56.100 0.209 0.000 0.984 123 R CB -0.138 30.255 30.300 0.155 0.000 0.869 123 R HN 0.188 nan 8.270 nan 0.000 0.455 124 K N -0.598 119.846 120.400 0.074 0.000 2.217 124 K HA -0.015 4.305 4.320 -0.000 0.000 0.202 124 K C 1.617 178.233 176.600 0.027 0.000 1.051 124 K CA 0.820 57.128 56.287 0.034 0.000 0.952 124 K CB 0.119 32.621 32.500 0.004 0.000 0.736 124 K HN 0.173 nan 8.250 nan 0.000 0.453 125 L N -0.548 120.702 121.223 0.046 0.000 2.162 125 L HA -0.024 4.316 4.340 -0.000 0.000 0.205 125 L C 2.314 179.215 176.870 0.052 0.000 1.086 125 L CA 0.796 55.657 54.840 0.036 0.000 0.778 125 L CB -0.314 41.772 42.059 0.044 0.000 0.928 125 L HN 0.164 nan 8.230 nan 0.000 0.446 126 A N 0.009 122.889 122.820 0.101 0.000 1.940 126 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 126 A C 1.815 179.451 177.584 0.086 0.000 1.176 126 A CA 2.283 54.393 52.037 0.121 0.000 0.631 126 A CB -0.705 18.465 19.000 0.284 0.000 0.814 126 A HN 0.381 nan 8.150 nan 0.000 0.446 127 D N -0.516 119.931 120.400 0.077 0.000 2.182 127 D HA -0.148 4.492 4.640 -0.000 0.000 0.201 127 D C 1.741 178.058 176.300 0.027 0.000 0.986 127 D CA 1.484 55.513 54.000 0.048 0.000 0.847 127 D CB -0.008 40.813 40.800 0.035 0.000 0.942 127 D HN 0.761 nan 8.370 nan 0.000 0.467 128 Q N 0.191 120.003 119.800 0.020 0.000 2.341 128 Q HA 0.193 4.533 4.340 -0.000 0.000 0.325 128 Q C -1.058 174.949 176.000 0.012 0.000 0.920 128 Q CA -0.122 55.688 55.803 0.012 0.000 1.065 128 Q CB -0.027 28.714 28.738 0.006 0.000 1.218 128 Q HN 0.129 nan 8.270 nan 0.000 0.434 129 C N 1.969 121.276 119.300 0.011 0.000 2.547 129 C HA 0.304 4.764 4.460 -0.000 0.000 0.327 129 C C 0.626 175.615 174.990 -0.002 0.000 1.076 129 C CA -0.632 58.385 59.018 -0.002 0.000 1.390 129 C CB 1.011 28.739 27.740 -0.020 0.000 1.918 129 C HN 0.549 nan 8.230 nan 0.000 0.438 130 T N -0.525 114.028 114.554 -0.002 0.000 4.219 130 T HA 0.467 4.817 4.350 -0.000 0.000 0.263 130 T C 1.002 175.697 174.700 -0.008 0.000 1.217 130 T CA 0.653 62.752 62.100 -0.001 0.000 1.145 130 T CB -0.285 68.583 68.868 0.001 0.000 1.298 130 T HN 1.566 nan 8.240 nan 0.000 0.999 131 G N 1.406 110.199 108.800 -0.012 0.000 2.247 131 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.111 131 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.111 131 G C -0.239 174.633 174.900 -0.047 0.000 1.045 131 G CA -0.532 44.555 45.100 -0.021 0.000 0.715 131 G HN 0.962 nan 8.290 nan 0.000 0.485 132 L N 0.079 121.267 121.223 -0.059 0.000 2.573 132 L HA 0.362 4.702 4.340 -0.000 0.000 0.290 132 L C 1.361 178.132 176.870 -0.166 0.000 1.247 132 L CA 1.670 56.434 54.840 -0.127 0.000 0.876 132 L CB 0.750 42.724 42.059 -0.141 0.000 1.123 132 L HN 0.410 nan 8.230 nan 0.000 0.505 133 Q N 2.669 122.330 119.800 -0.231 0.000 2.390 133 Q HA 0.372 4.712 4.340 -0.000 0.000 0.216 133 Q C 0.471 176.289 176.000 -0.303 0.000 0.916 133 Q CA 0.476 56.157 55.803 -0.204 0.000 0.911 133 Q CB 0.521 29.174 28.738 -0.141 0.000 1.035 133 Q HN 1.043 nan 8.270 nan 0.000 0.541 134 G N -0.693 107.787 108.800 -0.532 0.000 2.344 134 G HA2 0.230 4.190 3.960 -0.000 0.000 0.282 134 G HA3 0.230 4.190 3.960 -0.000 0.000 0.282 134 G C -1.826 172.529 174.900 -0.909 0.000 1.281 134 G CA -0.907 43.759 45.100 -0.723 0.000 0.877 134 G HN 0.087 nan 8.290 nan 0.000 0.494 135 F N 0.078 119.935 119.950 -0.154 0.000 2.540 135 F HA 0.677 5.204 4.527 -0.000 0.000 0.317 135 F C 0.223 175.950 175.800 -0.122 0.000 1.104 135 F CA -0.882 57.033 58.000 -0.142 0.000 0.913 135 F CB 2.337 41.241 39.000 -0.161 0.000 1.170 135 F HN 0.186 nan 8.300 nan 0.000 0.450 136 L N 4.560 125.857 121.223 0.122 0.000 2.276 136 L HA 0.535 4.875 4.340 -0.000 0.000 0.286 136 L C -0.902 175.951 176.870 -0.028 0.000 1.024 136 L CA -0.890 53.961 54.840 0.018 0.000 0.826 136 L CB 1.237 43.363 42.059 0.112 0.000 1.211 136 L HN 0.339 nan 8.230 nan 0.000 0.422 137 V N 3.273 123.116 119.914 -0.119 0.000 2.350 137 V HA 0.372 4.492 4.120 -0.000 0.000 0.276 137 V C -0.240 175.798 176.094 -0.094 0.000 1.028 137 V CA -0.389 61.875 62.300 -0.060 0.000 0.860 137 V CB 0.994 32.771 31.823 -0.075 0.000 0.990 137 V HN 0.348 nan 8.190 nan 0.000 0.453 138 F N 5.556 125.526 119.950 0.033 0.000 2.415 138 F HA 0.705 5.232 4.527 -0.000 0.000 0.348 138 F C 0.499 176.400 175.800 0.168 0.000 1.119 138 F CA -0.185 57.855 58.000 0.067 0.000 1.069 138 F CB 1.031 39.912 39.000 -0.198 0.000 1.124 138 F HN 0.747 nan 8.300 nan 0.000 0.472 139 H N -0.758 118.389 119.070 0.127 0.000 3.037 139 H HA 0.424 4.980 4.556 -0.000 0.000 0.336 139 H C -1.381 173.958 175.328 0.018 0.000 1.323 139 H CA -1.288 54.797 56.048 0.062 0.000 1.159 139 H CB 0.692 30.476 29.762 0.036 0.000 1.882 139 H HN 0.472 nan 8.280 nan 0.000 0.535 140 S N 0.584 116.274 115.700 -0.016 0.000 2.603 140 S HA 0.240 4.710 4.470 -0.000 0.000 0.268 140 S C 0.927 175.478 174.600 -0.082 0.000 1.317 140 S CA -0.632 57.534 58.200 -0.057 0.000 1.012 140 S CB 0.868 64.092 63.200 0.040 0.000 0.926 140 S HN 0.536 nan 8.310 nan 0.000 0.539 141 F N 1.030 120.964 119.950 -0.026 0.000 2.123 141 F HA 0.218 4.745 4.527 -0.000 0.000 0.289 141 F C 2.066 177.916 175.800 0.083 0.000 1.099 141 F CA 0.814 58.835 58.000 0.035 0.000 1.234 141 F CB -0.467 38.535 39.000 0.002 0.000 1.034 141 F HN 0.786 nan 8.300 nan 0.000 0.479 142 G N -0.944 108.014 108.800 0.263 0.000 2.510 142 G HA2 0.431 4.391 3.960 -0.000 0.000 0.280 142 G HA3 0.431 4.391 3.960 -0.000 0.000 0.280 142 G C -0.333 174.659 174.900 0.154 0.000 1.386 142 G CA 0.010 45.212 45.100 0.171 0.000 1.047 142 G HN 0.665 nan 8.290 nan 0.000 0.527 143 G N -2.525 106.344 108.800 0.114 0.000 2.778 143 G HA2 0.287 4.247 3.960 -0.000 0.000 0.686 143 G HA3 0.287 4.247 3.960 -0.000 0.000 0.686 143 G C 0.989 175.967 174.900 0.130 0.000 1.309 143 G CA 0.130 45.285 45.100 0.092 0.000 0.904 143 G HN 1.578 nan 8.290 nan 0.000 0.593 144 G N 0.004 108.858 108.800 0.089 0.000 2.404 144 G HA2 0.150 4.110 3.960 -0.000 0.000 0.214 144 G HA3 0.150 4.110 3.960 -0.000 0.000 0.214 144 G C 2.032 176.996 174.900 0.107 0.000 1.189 144 G CA 2.288 47.447 45.100 0.098 0.000 0.789 144 G HN 2.022 nan 8.290 nan 0.000 0.533 145 T N -1.044 113.559 114.554 0.081 0.000 2.978 145 T HA 0.191 4.541 4.350 -0.000 0.000 0.262 145 T C 2.415 177.214 174.700 0.165 0.000 1.063 145 T CA 1.567 63.723 62.100 0.093 0.000 1.140 145 T CB -0.282 68.596 68.868 0.016 0.000 0.886 145 T HN 0.204 nan 8.240 nan 0.000 0.470 146 G N 1.611 110.510 108.800 0.165 0.000 2.421 146 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 146 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 146 G C 2.031 177.117 174.900 0.311 0.000 1.171 146 G CA 1.489 46.727 45.100 0.230 0.000 0.775 146 G HN 0.714 nan 8.290 nan 0.000 0.543 147 S N 0.718 116.605 115.700 0.312 0.000 2.335 147 S HA 0.096 4.566 4.470 -0.000 0.000 0.217 147 S C 2.487 177.292 174.600 0.343 0.000 1.032 147 S CA 1.565 60.012 58.200 0.411 0.000 0.985 147 S CB -1.066 62.420 63.200 0.478 0.000 0.896 147 S HN 0.453 nan 8.310 nan 0.000 0.445 148 G N 0.815 109.717 108.800 0.171 0.000 2.484 148 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.215 148 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.215 148 G C 1.315 176.125 174.900 -0.149 0.000 1.219 148 G CA 0.787 45.735 45.100 -0.252 0.000 0.791 148 G HN 0.497 nan 8.290 nan 0.000 0.550 149 F N 1.875 121.730 119.950 -0.158 0.000 2.113 149 F HA -0.077 4.450 4.527 -0.000 0.000 0.297 149 F C 2.994 178.694 175.800 -0.166 0.000 1.103 149 F CA 2.058 59.952 58.000 -0.178 0.000 1.248 149 F CB -0.345 38.586 39.000 -0.115 0.000 0.999 149 F HN 0.137 nan 8.300 nan 0.000 0.475 150 T N -0.500 113.962 114.554 -0.154 0.000 2.624 150 T HA -0.313 4.037 4.350 -0.000 0.000 0.268 150 T C 2.153 176.647 174.700 -0.344 0.000 1.041 150 T CA 1.781 63.697 62.100 -0.307 0.000 1.159 150 T CB -0.882 67.779 68.868 -0.345 0.000 0.863 150 T HN 0.327 nan 8.240 nan 0.000 0.434 151 S N 0.626 116.232 115.700 -0.155 0.000 2.365 151 S HA -0.140 4.330 4.470 -0.000 0.000 0.221 151 S C 1.973 176.437 174.600 -0.227 0.000 1.037 151 S CA 1.471 59.643 58.200 -0.046 0.000 1.060 151 S CB -0.682 62.693 63.200 0.291 0.000 0.974 151 S HN 0.328 nan 8.310 nan 0.000 0.427 152 L N 1.833 122.792 121.223 -0.440 0.000 2.021 152 L HA -0.126 4.214 4.340 -0.000 0.000 0.215 152 L C 2.251 178.783 176.870 -0.564 0.000 1.074 152 L CA 1.746 56.196 54.840 -0.650 0.000 0.760 152 L CB -0.741 40.830 42.059 -0.813 0.000 0.889 152 L HN 0.411 nan 8.230 nan 0.000 0.433 153 L N -1.564 119.220 121.223 -0.732 0.000 1.971 153 L HA -0.311 4.029 4.340 -0.000 0.000 0.215 153 L C 2.577 179.184 176.870 -0.438 0.000 1.072 153 L CA 2.072 56.526 54.840 -0.644 0.000 0.758 153 L CB -0.325 41.293 42.059 -0.734 0.000 0.889 153 L HN 0.381 nan 8.230 nan 0.000 0.433 154 M N -0.482 118.877 119.600 -0.400 0.000 2.108 154 M HA -0.224 4.256 4.480 -0.000 0.000 0.261 154 M C 2.061 178.100 176.300 -0.434 0.000 1.066 154 M CA 1.682 56.786 55.300 -0.327 0.000 1.107 154 M CB -1.131 31.328 32.600 -0.234 0.000 1.356 154 M HN 0.364 nan 8.290 nan 0.000 0.406 155 E N -0.139 119.690 120.200 -0.618 0.000 2.058 155 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 155 E C 2.159 178.557 176.600 -0.335 0.000 0.997 155 E CA 0.824 56.768 56.400 -0.759 0.000 0.801 155 E CB -0.417 28.993 29.700 -0.483 0.000 0.746 155 E HN 0.437 nan 8.360 nan 0.000 0.450 156 R N 0.808 121.146 120.500 -0.270 0.000 2.073 156 R HA -0.030 4.310 4.340 -0.000 0.000 0.234 156 R C 2.595 178.834 176.300 -0.101 0.000 1.134 156 R CA 0.730 56.730 56.100 -0.167 0.000 0.952 156 R CB -0.867 29.323 30.300 -0.183 0.000 0.850 156 R HN 0.249 nan 8.270 nan 0.000 0.433 157 L N 0.333 121.473 121.223 -0.139 0.000 2.042 157 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 157 L C 2.531 179.460 176.870 0.099 0.000 1.076 157 L CA 1.225 56.039 54.840 -0.043 0.000 0.749 157 L CB -0.397 41.505 42.059 -0.262 0.000 0.893 157 L HN 0.127 nan 8.230 nan 0.000 0.432 158 S N -0.973 114.743 115.700 0.026 0.000 2.400 158 S HA -0.149 4.321 4.470 -0.000 0.000 0.232 158 S C 1.875 176.531 174.600 0.094 0.000 1.025 158 S CA 1.163 59.431 58.200 0.113 0.000 0.993 158 S CB -0.054 63.279 63.200 0.222 0.000 0.808 158 S HN 0.189 nan 8.310 nan 0.000 0.478 159 V N 1.362 121.298 119.914 0.036 0.000 2.255 159 V HA -0.112 4.008 4.120 -0.000 0.000 0.243 159 V C 1.837 177.911 176.094 -0.034 0.000 1.038 159 V CA 1.908 64.212 62.300 0.005 0.000 1.008 159 V CB -0.755 31.055 31.823 -0.021 0.000 0.645 159 V HN 0.356 nan 8.190 nan 0.000 0.449 160 D N -1.487 118.869 120.400 -0.074 0.000 2.264 160 D HA -0.077 4.563 4.640 -0.000 0.000 0.208 160 D C -0.088 175.886 176.300 -0.544 0.000 0.966 160 D CA 1.056 54.878 54.000 -0.297 0.000 0.864 160 D CB -0.081 40.513 40.800 -0.344 0.000 0.933 160 D HN 0.579 nan 8.370 nan 0.000 0.499 161 Y N -0.782 119.556 120.300 0.062 0.000 2.488 161 Y HA 0.436 4.986 4.550 -0.000 0.000 0.330 161 Y C 1.295 177.242 175.900 0.079 0.000 1.013 161 Y CA -0.961 57.205 58.100 0.110 0.000 1.304 161 Y CB 1.493 40.116 38.460 0.271 0.000 1.098 161 Y HN -0.192 nan 8.280 nan 0.000 0.498 162 G N 2.635 111.508 108.800 0.122 0.000 2.844 162 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.211 162 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.211 162 G C 1.478 176.426 174.900 0.079 0.000 1.368 162 G CA 0.928 46.074 45.100 0.076 0.000 0.815 162 G HN 0.531 nan 8.290 nan 0.000 0.649 163 K N 0.577 121.012 120.400 0.059 0.000 1.978 163 K HA -0.057 4.263 4.320 -0.000 0.000 0.214 163 K C 0.586 177.210 176.600 0.040 0.000 1.049 163 K CA 0.970 57.278 56.287 0.036 0.000 0.939 163 K CB -0.264 32.247 32.500 0.018 0.000 0.721 163 K HN 0.079 nan 8.250 nan 0.000 0.441 164 K N 2.646 123.073 120.400 0.045 0.000 2.396 164 K HA -0.122 4.198 4.320 -0.000 0.000 0.248 164 K C -0.179 176.425 176.600 0.006 0.000 1.076 164 K CA 0.666 56.951 56.287 -0.003 0.000 1.162 164 K CB -0.818 31.683 32.500 0.002 0.000 0.743 164 K HN 0.205 nan 8.250 nan 0.000 0.490 165 S N 3.224 118.894 115.700 -0.049 0.000 2.579 165 S HA 0.215 4.685 4.470 -0.000 0.000 0.275 165 S C 0.174 174.749 174.600 -0.042 0.000 1.345 165 S CA -0.585 57.583 58.200 -0.054 0.000 1.031 165 S CB 1.020 64.176 63.200 -0.074 0.000 0.892 165 S HN 0.383 nan 8.310 nan 0.000 0.529 166 K N 1.004 121.371 120.400 -0.055 0.000 2.463 166 K HA 0.487 4.807 4.320 -0.000 0.000 0.255 166 K C -1.601 174.894 176.600 -0.175 0.000 0.942 166 K CA -0.544 55.719 56.287 -0.040 0.000 0.814 166 K CB 1.394 33.896 32.500 0.003 0.000 1.122 166 K HN 0.301 nan 8.250 nan 0.000 0.425 167 L N 3.019 124.118 121.223 -0.207 0.000 2.296 167 L HA 0.276 4.616 4.340 -0.000 0.000 0.286 167 L C -0.140 176.536 176.870 -0.325 0.000 1.023 167 L CA -0.130 54.485 54.840 -0.374 0.000 0.812 167 L CB 1.363 43.160 42.059 -0.436 0.000 1.223 167 L HN 0.624 nan 8.230 nan 0.000 0.421 168 E N 3.441 123.416 120.200 -0.375 0.000 2.195 168 E HA 0.395 4.745 4.350 -0.000 0.000 0.271 168 E C -1.597 174.805 176.600 -0.331 0.000 0.923 168 E CA -0.573 55.709 56.400 -0.197 0.000 0.790 168 E CB 1.352 31.061 29.700 0.015 0.000 1.155 168 E HN 0.346 nan 8.360 nan 0.000 0.402 169 F N 2.248 122.084 119.950 -0.191 0.000 2.366 169 F HA 0.259 4.786 4.527 -0.000 0.000 0.366 169 F C -0.388 175.335 175.800 -0.127 0.000 1.096 169 F CA -0.496 57.445 58.000 -0.098 0.000 1.060 169 F CB 1.766 40.644 39.000 -0.202 0.000 1.282 169 F HN 0.328 nan 8.300 nan 0.000 0.450 170 S N 3.502 119.149 115.700 -0.089 0.000 2.565 170 S HA 0.663 5.133 4.470 -0.000 0.000 0.290 170 S C -0.451 174.050 174.600 -0.166 0.000 1.150 170 S CA -0.717 57.177 58.200 -0.510 0.000 1.058 170 S CB 1.977 64.477 63.200 -1.167 0.000 1.032 170 S HN 0.392 nan 8.310 nan 0.000 0.510 171 I N 2.938 123.418 120.570 -0.149 0.000 2.310 171 I HA 0.182 4.352 4.170 -0.000 0.000 0.287 171 I C -0.478 175.804 176.117 0.275 0.000 1.073 171 I CA -0.469 60.887 61.300 0.094 0.000 1.216 171 I CB 0.002 38.035 38.000 0.056 0.000 1.415 171 I HN 0.660 nan 8.210 nan 0.000 0.480 172 Y N 10.002 130.502 120.300 0.333 0.000 2.632 172 Y HA 0.201 4.751 4.550 -0.000 0.000 0.329 172 Y C -2.176 173.796 175.900 0.120 0.000 1.174 172 Y CA -1.887 56.402 58.100 0.315 0.000 1.469 172 Y CB 0.289 38.820 38.460 0.118 0.000 1.242 172 Y HN 0.358 nan 8.280 nan 0.000 0.540 173 P HA 0.435 nan 4.420 nan 0.000 0.284 173 P C -1.725 175.531 177.300 -0.072 0.000 1.258 173 P CA -0.543 62.514 63.100 -0.072 0.000 0.824 173 P CB 1.694 33.325 31.700 -0.115 0.000 1.038 174 A N 3.443 126.260 122.820 -0.005 0.000 2.343 174 A HA 0.587 4.907 4.320 -0.000 0.000 0.308 174 A C -1.827 175.719 177.584 -0.064 0.000 1.092 174 A CA -1.829 50.198 52.037 -0.016 0.000 0.751 174 A CB 0.758 19.760 19.000 0.002 0.000 1.203 174 A HN 0.246 nan 8.150 nan 0.000 0.452 175 P HA -0.342 nan 4.420 nan 0.000 0.222 175 P C 1.371 178.614 177.300 -0.095 0.000 1.155 175 P CA 2.169 65.225 63.100 -0.073 0.000 0.890 175 P CB 0.101 31.766 31.700 -0.059 0.000 0.790 176 Q N -0.201 119.507 119.800 -0.152 0.000 1.858 176 Q HA -0.054 4.286 4.340 -0.000 0.000 0.224 176 Q C 0.953 176.857 176.000 -0.160 0.000 0.980 176 Q CA 1.375 57.058 55.803 -0.199 0.000 0.868 176 Q CB -1.482 27.020 28.738 -0.393 0.000 0.920 176 Q HN 0.077 nan 8.270 nan 0.000 0.427 177 V N 2.340 122.139 119.914 -0.191 0.000 2.302 177 V HA 0.265 4.385 4.120 -0.000 0.000 0.244 177 V C 0.235 176.349 176.094 0.034 0.000 1.160 177 V CA 0.069 62.320 62.300 -0.081 0.000 1.127 177 V CB -0.580 31.218 31.823 -0.041 0.000 1.253 177 V HN 0.468 nan 8.190 nan 0.000 0.496 178 S N 2.701 118.410 115.700 0.014 0.000 2.588 178 S HA 0.566 5.036 4.470 -0.000 0.000 0.275 178 S C 0.589 175.211 174.600 0.036 0.000 1.130 178 S CA 0.104 58.325 58.200 0.034 0.000 0.855 178 S CB 2.502 65.689 63.200 -0.022 0.000 1.116 178 S HN 0.483 nan 8.310 nan 0.000 0.472 179 T N 1.958 116.535 114.554 0.038 0.000 2.980 179 T HA 0.539 4.889 4.350 -0.000 0.000 0.239 179 T C 0.656 175.336 174.700 -0.033 0.000 1.011 179 T CA 0.718 62.827 62.100 0.016 0.000 1.171 179 T CB -0.258 68.627 68.868 0.030 0.000 0.873 179 T HN 1.005 nan 8.240 nan 0.000 0.431 180 A N 0.347 123.136 122.820 -0.053 0.000 2.380 180 A HA 0.705 5.025 4.320 -0.000 0.000 0.315 180 A C 0.952 178.448 177.584 -0.146 0.000 1.101 180 A CA -0.562 51.412 52.037 -0.105 0.000 0.771 180 A CB 1.365 20.303 19.000 -0.103 0.000 1.287 180 A HN 0.046 nan 8.150 nan 0.000 0.436 181 V N 1.346 121.121 119.914 -0.232 0.000 2.488 181 V HA -0.115 4.005 4.120 -0.000 0.000 0.246 181 V C 2.313 178.171 176.094 -0.393 0.000 1.046 181 V CA 2.194 64.315 62.300 -0.298 0.000 1.053 181 V CB 0.157 31.748 31.823 -0.387 0.000 0.679 181 V HN 1.045 nan 8.190 nan 0.000 0.458 182 V N -1.936 117.713 119.914 -0.441 0.000 3.510 182 V HA -0.026 4.094 4.120 -0.000 0.000 0.270 182 V C 1.896 177.912 176.094 -0.129 0.000 1.201 182 V CA 1.405 63.489 62.300 -0.359 0.000 1.166 182 V CB -0.420 31.301 31.823 -0.169 0.000 0.825 182 V HN 0.546 nan 8.190 nan 0.000 0.484 183 E N 1.528 121.663 120.200 -0.108 0.000 2.119 183 E HA -0.231 4.119 4.350 -0.000 0.000 0.221 183 E C -0.022 176.577 176.600 -0.001 0.000 1.062 183 E CA 3.286 59.666 56.400 -0.032 0.000 0.894 183 E CB -1.338 28.324 29.700 -0.064 0.000 0.785 183 E HN 0.554 nan 8.360 nan 0.000 0.472 184 P HA -0.235 nan 4.420 nan 0.000 0.217 184 P C 0.806 178.237 177.300 0.218 0.000 1.162 184 P CA 1.739 64.861 63.100 0.036 0.000 0.901 184 P CB -0.232 31.467 31.700 -0.002 0.000 0.793 185 Y N -0.763 119.561 120.300 0.041 0.000 2.081 185 Y HA -0.286 4.264 4.550 -0.000 0.000 0.280 185 Y C 2.351 178.240 175.900 -0.018 0.000 1.163 185 Y CA 0.653 58.733 58.100 -0.034 0.000 1.135 185 Y CB -0.865 37.538 38.460 -0.096 0.000 0.970 185 Y HN 0.004 nan 8.280 nan 0.000 0.498 186 N N -0.009 118.848 118.700 0.263 0.000 2.149 186 N HA -0.151 4.589 4.740 -0.000 0.000 0.188 186 N C 1.853 177.483 175.510 0.200 0.000 1.019 186 N CA 1.481 54.685 53.050 0.256 0.000 0.857 186 N CB -0.575 38.103 38.487 0.319 0.000 0.997 186 N HN 0.233 nan 8.380 nan 0.000 0.426 187 S N 1.374 117.186 115.700 0.186 0.000 2.344 187 S HA -0.032 4.438 4.470 -0.000 0.000 0.217 187 S C 1.960 176.629 174.600 0.115 0.000 1.033 187 S CA 0.692 59.005 58.200 0.188 0.000 1.017 187 S CB -0.188 62.983 63.200 -0.049 0.000 0.941 187 S HN 0.182 nan 8.310 nan 0.000 0.430 188 I N 1.716 122.308 120.570 0.037 0.000 2.361 188 I HA -0.097 4.073 4.170 -0.000 0.000 0.251 188 I C 2.178 178.199 176.117 -0.159 0.000 1.133 188 I CA 0.920 62.164 61.300 -0.093 0.000 1.413 188 I CB -1.547 36.343 38.000 -0.183 0.000 1.073 188 I HN 0.237 nan 8.210 nan 0.000 0.424 189 L N -0.035 121.056 121.223 -0.219 0.000 1.961 189 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 189 L C 2.718 179.320 176.870 -0.446 0.000 1.072 189 L CA 2.163 56.688 54.840 -0.525 0.000 0.749 189 L CB -0.678 40.843 42.059 -0.897 0.000 0.889 189 L HN 0.239 nan 8.230 nan 0.000 0.432 190 T N -1.902 112.533 114.554 -0.199 0.000 2.622 190 T HA -0.280 4.070 4.350 -0.000 0.000 0.266 190 T C 1.895 176.721 174.700 0.210 0.000 1.047 190 T CA 2.276 64.488 62.100 0.188 0.000 1.159 190 T CB -0.257 68.876 68.868 0.442 0.000 0.863 190 T HN 0.350 nan 8.240 nan 0.000 0.422 191 T N -0.194 114.538 114.554 0.297 0.000 2.848 191 T HA -0.226 4.124 4.350 -0.000 0.000 0.269 191 T C 1.642 176.427 174.700 0.142 0.000 1.081 191 T CA 2.230 64.522 62.100 0.321 0.000 1.125 191 T CB -0.517 68.561 68.868 0.350 0.000 0.848 191 T HN 0.689 nan 8.240 nan 0.000 0.503 192 H N 0.628 119.675 119.070 -0.039 0.000 2.294 192 H HA 0.028 4.584 4.556 -0.000 0.000 0.306 192 H C 2.388 177.714 175.328 -0.004 0.000 1.065 192 H CA 2.444 58.440 56.048 -0.086 0.000 1.343 192 H CB -0.686 28.973 29.762 -0.171 0.000 1.396 192 H HN 0.357 nan 8.280 nan 0.000 0.506 193 T N -1.347 113.077 114.554 -0.217 0.000 2.622 193 T HA -0.203 4.147 4.350 -0.000 0.000 0.266 193 T C 2.127 176.868 174.700 0.068 0.000 1.047 193 T CA 1.898 63.917 62.100 -0.135 0.000 1.159 193 T CB -1.180 67.714 68.868 0.043 0.000 0.863 193 T HN 0.355 nan 8.240 nan 0.000 0.422 194 T N 1.658 116.293 114.554 0.134 0.000 2.802 194 T HA -0.087 4.263 4.350 -0.000 0.000 0.269 194 T C 1.785 176.615 174.700 0.217 0.000 1.062 194 T CA 0.965 63.174 62.100 0.183 0.000 1.133 194 T CB -0.574 68.423 68.868 0.215 0.000 0.852 194 T HN 0.229 nan 8.240 nan 0.000 0.485 195 L N 1.634 122.950 121.223 0.156 0.000 2.005 195 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 195 L C 1.861 178.803 176.870 0.121 0.000 1.072 195 L CA 1.870 56.800 54.840 0.149 0.000 0.744 195 L CB -0.357 41.726 42.059 0.040 0.000 0.895 195 L HN 0.355 nan 8.230 nan 0.000 0.433 196 E N -2.752 117.419 120.200 -0.049 0.000 2.368 196 E HA 0.007 4.357 4.350 -0.000 0.000 0.188 196 E C 0.605 177.007 176.600 -0.329 0.000 1.061 196 E CA 0.371 56.675 56.400 -0.161 0.000 0.933 196 E CB -0.209 29.355 29.700 -0.228 0.000 1.091 196 E HN 0.612 nan 8.360 nan 0.000 0.458 197 H N -1.210 117.877 119.070 0.028 0.000 3.255 197 H HA 0.255 4.811 4.556 -0.000 0.000 0.256 197 H C 0.409 175.716 175.328 -0.034 0.000 1.049 197 H CA -0.079 55.964 56.048 -0.008 0.000 1.202 197 H CB 1.058 30.806 29.762 -0.023 0.000 1.497 197 H HN 0.034 nan 8.280 nan 0.000 0.503 198 S N -0.446 115.294 115.700 0.066 0.000 2.669 198 S HA 0.095 4.565 4.470 -0.000 0.000 0.270 198 S C 0.274 174.676 174.600 -0.331 0.000 1.225 198 S CA -0.329 57.805 58.200 -0.110 0.000 0.991 198 S CB 0.973 64.124 63.200 -0.082 0.000 0.987 198 S HN 0.289 nan 8.310 nan 0.000 0.552 199 D N -0.299 119.811 120.400 -0.483 0.000 2.766 199 D HA 0.230 4.870 4.640 -0.000 0.000 0.284 199 D C -0.236 175.606 176.300 -0.764 0.000 1.050 199 D CA 0.176 53.874 54.000 -0.504 0.000 0.945 199 D CB 0.572 41.214 40.800 -0.263 0.000 1.272 199 D HN 0.456 nan 8.370 nan 0.000 0.482 200 C N 0.706 119.592 119.300 -0.690 0.000 2.608 200 C HA 0.850 5.310 4.460 -0.000 0.000 0.325 200 C C -1.603 172.968 174.990 -0.699 0.000 1.147 200 C CA -0.454 58.176 59.018 -0.647 0.000 1.359 200 C CB 0.429 27.878 27.740 -0.486 0.000 1.912 200 C HN 0.264 nan 8.230 nan 0.000 0.466 201 A N 4.866 127.340 122.820 -0.576 0.000 2.353 201 A HA 0.765 5.085 4.320 -0.000 0.000 0.299 201 A C -1.033 176.436 177.584 -0.191 0.000 1.089 201 A CA -0.339 51.482 52.037 -0.361 0.000 0.736 201 A CB 0.572 19.621 19.000 0.083 0.000 1.195 201 A HN 0.857 nan 8.150 nan 0.000 0.447 202 F N 2.739 122.555 119.950 -0.224 0.000 2.368 202 F HA 0.324 4.851 4.527 -0.000 0.000 0.362 202 F C 0.681 176.485 175.800 0.008 0.000 1.137 202 F CA -0.219 57.671 58.000 -0.184 0.000 1.161 202 F CB 1.015 39.680 39.000 -0.558 0.000 1.265 202 F HN 0.495 nan 8.300 nan 0.000 0.530 203 M N 3.442 123.237 119.600 0.326 0.000 2.211 203 M HA 0.320 4.800 4.480 -0.000 0.000 0.356 203 M C -0.838 175.570 176.300 0.181 0.000 1.216 203 M CA -0.241 55.206 55.300 0.245 0.000 1.134 203 M CB 1.040 33.733 32.600 0.155 0.000 1.564 203 M HN 0.197 nan 8.290 nan 0.000 0.463 204 V N 3.664 123.693 119.914 0.191 0.000 2.357 204 V HA 0.144 4.264 4.120 -0.000 0.000 0.281 204 V C -0.425 175.768 176.094 0.166 0.000 1.015 204 V CA -0.898 61.497 62.300 0.158 0.000 0.827 204 V CB 1.326 33.258 31.823 0.182 0.000 1.018 204 V HN 0.705 nan 8.190 nan 0.000 0.432 205 D N 3.896 124.347 120.400 0.085 0.000 2.348 205 D HA 0.038 4.678 4.640 -0.000 0.000 0.259 205 D C 1.178 177.567 176.300 0.149 0.000 1.296 205 D CA 0.483 54.549 54.000 0.110 0.000 0.931 205 D CB 0.433 41.179 40.800 -0.090 0.000 1.067 205 D HN 0.588 nan 8.370 nan 0.000 0.503 206 N N 2.850 121.668 118.700 0.196 0.000 2.184 206 N HA -0.223 4.517 4.740 -0.000 0.000 0.190 206 N C 1.456 177.057 175.510 0.153 0.000 1.011 206 N CA 0.816 53.965 53.050 0.165 0.000 0.867 206 N CB 0.233 38.814 38.487 0.157 0.000 0.993 206 N HN 0.602 nan 8.380 nan 0.000 0.433 207 E N 0.605 120.876 120.200 0.118 0.000 2.031 207 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 207 E C 1.989 178.682 176.600 0.154 0.000 0.994 207 E CA 1.109 57.558 56.400 0.082 0.000 0.800 207 E CB -0.078 29.648 29.700 0.043 0.000 0.752 207 E HN 0.373 nan 8.360 nan 0.000 0.447 208 A N 1.502 124.383 122.820 0.103 0.000 1.859 208 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 208 A C 2.129 179.782 177.584 0.115 0.000 1.198 208 A CA 1.782 53.871 52.037 0.086 0.000 0.629 208 A CB -0.799 18.223 19.000 0.037 0.000 0.830 208 A HN 0.360 nan 8.150 nan 0.000 0.446 209 I N -1.352 119.290 120.570 0.120 0.000 2.145 209 I HA -0.268 3.902 4.170 -0.000 0.000 0.244 209 I C 2.401 178.603 176.117 0.142 0.000 1.075 209 I CA 1.860 63.229 61.300 0.114 0.000 1.332 209 I CB -1.633 36.439 38.000 0.120 0.000 1.033 209 I HN 0.635 nan 8.210 nan 0.000 0.410 210 Y N 1.806 122.133 120.300 0.044 0.000 2.293 210 Y HA -0.222 4.328 4.550 -0.000 0.000 0.291 210 Y C 2.161 178.075 175.900 0.024 0.000 1.137 210 Y CA 1.595 59.717 58.100 0.037 0.000 1.202 210 Y CB -0.257 38.228 38.460 0.043 0.000 0.990 210 Y HN 0.189 nan 8.280 nan 0.000 0.537 211 D N 0.126 120.646 120.400 0.200 0.000 2.123 211 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 211 D C 2.050 178.352 176.300 0.004 0.000 0.976 211 D CA 1.291 55.348 54.000 0.094 0.000 0.831 211 D CB -0.137 40.738 40.800 0.125 0.000 0.974 211 D HN 0.374 nan 8.370 nan 0.000 0.469 212 I N 0.472 121.053 120.570 0.019 0.000 2.286 212 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 212 I C 2.362 178.463 176.117 -0.026 0.000 1.115 212 I CA 0.680 61.984 61.300 0.006 0.000 1.392 212 I CB -0.307 37.708 38.000 0.025 0.000 1.065 212 I HN 0.059 nan 8.210 nan 0.000 0.418 213 C N -0.109 119.155 119.300 -0.059 0.000 2.432 213 C HA -0.068 4.392 4.460 -0.000 0.000 0.282 213 C C 2.840 177.753 174.990 -0.128 0.000 1.388 213 C CA 0.674 59.636 59.018 -0.093 0.000 1.777 213 C CB -1.171 26.494 27.740 -0.125 0.000 1.882 213 C HN 0.426 nan 8.230 nan 0.000 0.520 214 R N -0.294 120.109 120.500 -0.161 0.000 2.087 214 R HA 0.061 4.401 4.340 -0.000 0.000 0.216 214 R C 2.455 178.707 176.300 -0.079 0.000 1.114 214 R CA 0.428 56.431 56.100 -0.161 0.000 1.002 214 R CB -0.246 29.915 30.300 -0.231 0.000 0.903 214 R HN 0.415 nan 8.270 nan 0.000 0.445 215 R N 0.637 121.106 120.500 -0.051 0.000 2.057 215 R HA -0.002 4.338 4.340 -0.000 0.000 0.229 215 R C 1.551 177.841 176.300 -0.017 0.000 1.136 215 R CA 1.429 57.516 56.100 -0.023 0.000 0.952 215 R CB 0.070 30.366 30.300 -0.007 0.000 0.848 215 R HN 0.176 nan 8.270 nan 0.000 0.430 216 N N -0.271 118.420 118.700 -0.015 0.000 2.395 216 N HA -0.060 4.680 4.740 -0.000 0.000 0.175 216 N C 1.112 176.620 175.510 -0.004 0.000 1.029 216 N CA 0.634 53.684 53.050 -0.001 0.000 0.897 216 N CB 0.343 38.837 38.487 0.011 0.000 0.991 216 N HN 0.153 nan 8.380 nan 0.000 0.441 217 L N 0.273 121.483 121.223 -0.021 0.000 2.575 217 L HA 0.166 4.505 4.340 -0.000 0.000 0.228 217 L C 0.553 177.407 176.870 -0.027 0.000 1.075 217 L CA 0.853 55.680 54.840 -0.023 0.000 0.867 217 L CB -0.424 41.615 42.059 -0.033 0.000 1.097 217 L HN 0.011 nan 8.230 nan 0.000 0.485 218 D N -0.908 119.470 120.400 -0.037 0.000 2.802 218 D HA -0.159 4.481 4.640 -0.000 0.000 0.191 218 D C 0.208 176.480 176.300 -0.048 0.000 0.962 218 D CA 0.271 54.251 54.000 -0.034 0.000 1.004 218 D CB -0.579 40.211 40.800 -0.017 0.000 1.055 218 D HN 0.041 nan 8.370 nan 0.000 0.451 219 I N 2.121 122.650 120.570 -0.068 0.000 2.494 219 I HA 0.048 4.218 4.170 -0.000 0.000 0.289 219 I C 1.935 177.991 176.117 -0.102 0.000 1.106 219 I CA 0.348 61.601 61.300 -0.077 0.000 1.369 219 I CB 0.618 38.567 38.000 -0.084 0.000 1.410 219 I HN 0.068 nan 8.210 nan 0.000 0.523 220 E N 5.362 125.520 120.200 -0.070 0.000 2.058 220 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 220 E C 0.852 177.405 176.600 -0.078 0.000 0.997 220 E CA 1.513 57.876 56.400 -0.062 0.000 0.801 220 E CB 0.274 29.954 29.700 -0.033 0.000 0.746 220 E HN 0.699 nan 8.360 nan 0.000 0.450 221 R N 1.591 122.049 120.500 -0.070 0.000 2.625 221 R HA 0.268 4.608 4.340 -0.000 0.000 0.286 221 R C -2.770 173.496 176.300 -0.056 0.000 1.406 221 R CA -1.355 54.714 56.100 -0.051 0.000 1.052 221 R CB 0.055 30.359 30.300 0.006 0.000 1.203 221 R HN 0.007 nan 8.270 nan 0.000 0.502 222 P HA 0.218 nan 4.420 nan 0.000 0.276 222 P C -0.241 177.057 177.300 -0.004 0.000 1.235 222 P CA 0.224 63.280 63.100 -0.073 0.000 0.772 222 P CB 1.235 32.848 31.700 -0.145 0.000 0.871 223 T N 2.453 117.007 114.554 0.000 0.000 2.701 223 T HA 0.004 4.354 4.350 -0.000 0.000 0.303 223 T C 1.260 176.016 174.700 0.094 0.000 1.030 223 T CA 0.103 62.209 62.100 0.010 0.000 1.010 223 T CB 0.236 69.120 68.868 0.027 0.000 1.007 223 T HN 0.345 nan 8.240 nan 0.000 0.532 224 Y N 0.824 121.142 120.300 0.030 0.000 2.145 224 Y HA -0.217 4.333 4.550 -0.000 0.000 0.286 224 Y C 3.233 179.142 175.900 0.015 0.000 1.145 224 Y CA 1.196 59.313 58.100 0.028 0.000 1.148 224 Y CB -0.297 38.174 38.460 0.019 0.000 0.981 224 Y HN 0.789 nan 8.280 nan 0.000 0.507 225 T N -2.810 111.853 114.554 0.181 0.000 2.995 225 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 225 T C 1.304 176.038 174.700 0.056 0.000 1.091 225 T CA 1.334 63.486 62.100 0.087 0.000 1.128 225 T CB -0.630 68.274 68.868 0.059 0.000 0.891 225 T HN 0.361 nan 8.240 nan 0.000 0.492 226 N N 0.538 119.273 118.700 0.059 0.000 2.069 226 N HA -0.062 4.678 4.740 -0.000 0.000 0.191 226 N C 1.460 176.992 175.510 0.036 0.000 1.031 226 N CA 1.112 54.181 53.050 0.032 0.000 0.852 226 N CB -0.211 38.286 38.487 0.017 0.000 1.018 226 N HN 0.143 nan 8.380 nan 0.000 0.423 227 L N 1.344 122.615 121.223 0.081 0.000 2.027 227 L HA -0.099 4.241 4.340 -0.000 0.000 0.206 227 L C 1.845 178.741 176.870 0.043 0.000 1.074 227 L CA 1.418 56.308 54.840 0.083 0.000 0.745 227 L CB -1.215 40.942 42.059 0.162 0.000 0.898 227 L HN 0.223 nan 8.230 nan 0.000 0.433 228 N N -0.034 118.691 118.700 0.041 0.000 2.061 228 N HA -0.206 4.534 4.740 -0.000 0.000 0.193 228 N C 1.988 177.478 175.510 -0.034 0.000 1.030 228 N CA 1.159 54.206 53.050 -0.005 0.000 0.856 228 N CB -0.278 38.203 38.487 -0.010 0.000 1.023 228 N HN 0.248 nan 8.380 nan 0.000 0.424 229 R N 0.124 120.608 120.500 -0.026 0.000 2.096 229 R HA -0.113 4.227 4.340 -0.000 0.000 0.240 229 R C 1.996 178.245 176.300 -0.084 0.000 1.139 229 R CA 0.923 56.994 56.100 -0.048 0.000 0.952 229 R CB -0.480 29.800 30.300 -0.033 0.000 0.854 229 R HN 0.133 nan 8.270 nan 0.000 0.436 230 L N 0.965 122.142 121.223 -0.076 0.000 2.017 230 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 230 L C 1.930 178.719 176.870 -0.135 0.000 1.073 230 L CA 1.734 56.505 54.840 -0.114 0.000 0.745 230 L CB -0.661 41.361 42.059 -0.062 0.000 0.894 230 L HN 0.208 nan 8.230 nan 0.000 0.432 231 I N -0.846 119.680 120.570 -0.073 0.000 2.315 231 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 231 I C 2.561 178.620 176.117 -0.096 0.000 1.117 231 I CA 1.006 62.275 61.300 -0.053 0.000 1.404 231 I CB -1.176 36.823 38.000 -0.003 0.000 1.071 231 I HN 0.340 nan 8.210 nan 0.000 0.419 232 G N 0.492 109.218 108.800 -0.124 0.000 2.599 232 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.219 232 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.219 232 G C 1.532 176.341 174.900 -0.151 0.000 1.193 232 G CA 1.342 46.343 45.100 -0.165 0.000 0.778 232 G HN 0.299 nan 8.290 nan 0.000 0.589 233 Q N 0.093 119.781 119.800 -0.186 0.000 2.062 233 Q HA -0.120 4.220 4.340 -0.000 0.000 0.209 233 Q C 2.536 178.386 176.000 -0.250 0.000 0.996 233 Q CA 1.766 57.403 55.803 -0.275 0.000 0.859 233 Q CB -0.402 28.027 28.738 -0.516 0.000 0.920 233 Q HN 0.608 nan 8.270 nan 0.000 0.415 234 I N -1.235 119.198 120.570 -0.227 0.000 2.179 234 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 234 I C 2.045 178.201 176.117 0.064 0.000 1.088 234 I CA 0.743 62.014 61.300 -0.048 0.000 1.357 234 I CB -0.258 37.738 38.000 -0.007 0.000 1.051 234 I HN 0.053 nan 8.210 nan 0.000 0.409 235 V N -0.182 119.758 119.914 0.043 0.000 2.287 235 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 235 V C 2.601 178.775 176.094 0.134 0.000 1.053 235 V CA 2.266 64.606 62.300 0.067 0.000 1.027 235 V CB -0.813 30.923 31.823 -0.146 0.000 0.646 235 V HN 0.577 nan 8.190 nan 0.000 0.447 236 S N -0.992 114.777 115.700 0.115 0.000 2.419 236 S HA -0.223 4.247 4.470 -0.000 0.000 0.235 236 S C 2.185 176.882 174.600 0.161 0.000 1.019 236 S CA 2.030 60.349 58.200 0.198 0.000 0.982 236 S CB -0.344 62.960 63.200 0.174 0.000 0.789 236 S HN 0.525 nan 8.310 nan 0.000 0.490 237 S N 0.264 116.061 115.700 0.162 0.000 2.387 237 S HA 0.126 4.596 4.470 -0.000 0.000 0.226 237 S C 1.625 176.336 174.600 0.184 0.000 1.026 237 S CA 1.118 59.431 58.200 0.189 0.000 0.972 237 S CB -0.348 63.012 63.200 0.266 0.000 0.814 237 S HN 0.607 nan 8.310 nan 0.000 0.477 238 I N 1.153 121.851 120.570 0.212 0.000 2.277 238 I HA -0.123 4.046 4.170 -0.000 0.000 0.243 238 I C 2.641 178.995 176.117 0.396 0.000 1.094 238 I CA 1.518 63.005 61.300 0.311 0.000 1.393 238 I CB -0.586 37.599 38.000 0.308 0.000 1.078 238 I HN 0.360 nan 8.210 nan 0.000 0.417 239 T N -0.346 114.383 114.554 0.292 0.000 2.867 239 T HA -0.057 4.293 4.350 -0.000 0.000 0.268 239 T C 1.995 176.735 174.700 0.067 0.000 1.057 239 T CA 0.734 62.944 62.100 0.184 0.000 1.136 239 T CB -0.653 68.176 68.868 -0.065 0.000 0.874 239 T HN 0.336 nan 8.240 nan 0.000 0.466 240 A N 3.113 125.984 122.820 0.086 0.000 1.861 240 A HA -0.337 3.983 4.320 -0.000 0.000 0.248 240 A C 2.666 180.396 177.584 0.242 0.000 2.075 240 A CA 4.112 56.267 52.037 0.196 0.000 0.818 240 A CB -1.834 17.298 19.000 0.220 0.000 0.844 240 A HN 0.958 nan 8.150 nan 0.000 0.498 241 S N 0.193 116.021 115.700 0.212 0.000 2.399 241 S HA -0.241 4.229 4.470 -0.000 0.000 0.235 241 S C 1.368 176.075 174.600 0.177 0.000 1.063 241 S CA 2.193 60.499 58.200 0.176 0.000 1.070 241 S CB -1.029 62.243 63.200 0.120 0.000 0.904 241 S HN 0.958 nan 8.310 nan 0.000 0.456 242 L N -0.437 120.899 121.223 0.187 0.000 2.607 242 L HA 0.446 4.786 4.340 -0.000 0.000 0.228 242 L C 2.027 178.981 176.870 0.140 0.000 1.123 242 L CA 0.067 55.020 54.840 0.188 0.000 0.890 242 L CB -0.367 41.856 42.059 0.274 0.000 1.103 242 L HN 0.116 nan 8.230 nan 0.000 0.468 243 R N -1.010 119.475 120.500 -0.026 0.000 2.279 243 R HA 0.295 4.635 4.340 -0.000 0.000 0.195 243 R C 1.107 177.224 176.300 -0.305 0.000 0.905 243 R CA 0.519 56.479 56.100 -0.234 0.000 1.044 243 R CB -0.074 29.860 30.300 -0.610 0.000 1.056 243 R HN 0.300 nan 8.270 nan 0.000 0.535 244 F N 1.280 121.308 119.950 0.129 0.000 2.717 244 F HA 0.116 4.643 4.527 -0.000 0.000 0.297 244 F C -0.222 175.626 175.800 0.080 0.000 1.113 244 F CA -0.293 57.782 58.000 0.125 0.000 1.319 244 F CB 0.190 39.243 39.000 0.088 0.000 1.097 244 F HN 0.003 nan 8.300 nan 0.000 0.595 245 D N 0.573 121.097 120.400 0.207 0.000 5.864 245 D HA 0.041 4.681 4.640 -0.000 0.000 0.244 245 D C -0.198 176.170 176.300 0.114 0.000 1.511 245 D CA 1.038 55.118 54.000 0.133 0.000 1.451 245 D CB -0.727 40.130 40.800 0.096 0.000 0.732 245 D HN 0.547 nan 8.370 nan 0.000 0.394 246 G N 2.499 111.342 108.800 0.072 0.000 4.377 246 G HA2 0.709 4.669 3.960 -0.000 0.000 0.251 246 G HA3 0.709 4.669 3.960 -0.000 0.000 0.251 246 G C 0.291 175.183 174.900 -0.014 0.000 2.912 246 G CA 0.733 45.842 45.100 0.016 0.000 0.606 246 G HN 1.781 nan 8.290 nan 0.000 0.282 247 A N 0.884 123.704 122.820 0.000 0.000 5.197 247 A HA 0.251 4.571 4.320 -0.000 0.000 0.455 247 A C 0.777 178.351 177.584 -0.017 0.000 1.860 247 A CA 0.561 52.593 52.037 -0.008 0.000 1.705 247 A CB -0.767 18.223 19.000 -0.016 0.000 1.857 247 A HN 2.456 nan 8.150 nan 0.000 0.554 248 L N 0.474 121.681 121.223 -0.026 0.000 3.086 248 L HA -0.252 4.088 4.340 -0.000 0.000 0.560 248 L C 0.656 177.470 176.870 -0.093 0.000 1.001 248 L CA 1.628 56.435 54.840 -0.055 0.000 1.293 248 L CB -1.283 40.752 42.059 -0.039 0.000 1.368 248 L HN 1.812 nan 8.230 nan 0.000 0.663 249 N N 0.619 119.224 118.700 -0.160 0.000 2.725 249 N HA -0.193 4.547 4.740 -0.000 0.000 0.251 249 N C 0.694 176.197 175.510 -0.012 0.000 1.031 249 N CA 0.437 53.346 53.050 -0.235 0.000 0.720 249 N CB -1.049 36.990 38.487 -0.747 0.000 0.930 249 N HN 0.392 nan 8.380 nan 0.000 0.543 250 V N -1.294 118.633 119.914 0.023 0.000 3.380 250 V HA -0.047 4.073 4.120 -0.000 0.000 0.268 250 V C 0.873 177.028 176.094 0.101 0.000 1.168 250 V CA 1.408 63.752 62.300 0.072 0.000 1.156 250 V CB -0.785 31.068 31.823 0.049 0.000 0.785 250 V HN 0.610 nan 8.190 nan 0.000 0.487 251 D N -2.084 118.383 120.400 0.111 0.000 2.609 251 D HA 0.267 4.907 4.640 -0.000 0.000 0.239 251 D C 0.496 176.912 176.300 0.194 0.000 1.229 251 D CA -0.780 53.294 54.000 0.123 0.000 0.808 251 D CB 1.706 42.542 40.800 0.061 0.000 1.448 251 D HN -0.126 nan 8.370 nan 0.000 0.433 252 L N 0.033 121.352 121.223 0.159 0.000 2.201 252 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 252 L C 2.023 178.981 176.870 0.147 0.000 1.105 252 L CA 1.405 56.355 54.840 0.183 0.000 0.775 252 L CB -0.649 41.421 42.059 0.019 0.000 0.913 252 L HN 0.505 nan 8.230 nan 0.000 0.440 253 T N -0.683 113.916 114.554 0.075 0.000 2.580 253 T HA -0.333 4.017 4.350 -0.000 0.000 0.265 253 T C 1.661 176.401 174.700 0.065 0.000 1.063 253 T CA 1.828 63.955 62.100 0.045 0.000 1.170 253 T CB -0.382 68.498 68.868 0.020 0.000 0.863 253 T HN 0.355 nan 8.240 nan 0.000 0.418 254 E N -0.019 120.216 120.200 0.058 0.000 2.233 254 E HA -0.191 4.159 4.350 -0.000 0.000 0.199 254 E C 1.738 178.334 176.600 -0.007 0.000 1.004 254 E CA 0.983 57.389 56.400 0.010 0.000 0.819 254 E CB -0.294 29.390 29.700 -0.027 0.000 0.738 254 E HN 0.495 nan 8.360 nan 0.000 0.478 255 F N 0.723 120.682 119.950 0.016 0.000 2.234 255 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 255 F C 2.564 178.359 175.800 -0.007 0.000 1.087 255 F CA 1.606 59.620 58.000 0.024 0.000 1.340 255 F CB -0.023 38.981 39.000 0.006 0.000 1.031 255 F HN 0.130 nan 8.300 nan 0.000 0.500 256 Q N -0.669 119.225 119.800 0.158 0.000 2.165 256 Q HA -0.097 4.243 4.340 -0.000 0.000 0.197 256 Q C 1.941 177.967 176.000 0.044 0.000 0.952 256 Q CA 1.605 57.444 55.803 0.060 0.000 0.848 256 Q CB -0.363 28.369 28.738 -0.011 0.000 0.931 256 Q HN 0.230 nan 8.270 nan 0.000 0.470 257 T N 1.921 116.493 114.554 0.029 0.000 2.594 257 T HA -0.224 4.126 4.350 -0.000 0.000 0.266 257 T C 1.501 176.215 174.700 0.025 0.000 1.070 257 T CA 2.218 64.325 62.100 0.013 0.000 1.166 257 T CB -0.408 68.462 68.868 0.002 0.000 0.862 257 T HN 0.497 nan 8.240 nan 0.000 0.436 258 N N -0.303 118.409 118.700 0.021 0.000 2.354 258 N HA 0.174 4.914 4.740 -0.000 0.000 0.179 258 N C 1.729 177.286 175.510 0.078 0.000 1.021 258 N CA 0.477 53.542 53.050 0.026 0.000 0.887 258 N CB 0.099 38.569 38.487 -0.028 0.000 0.974 258 N HN 0.267 nan 8.380 nan 0.000 0.437 259 L N -0.039 121.250 121.223 0.110 0.000 2.433 259 L HA 0.208 4.548 4.340 -0.000 0.000 0.200 259 L C 0.394 177.369 176.870 0.175 0.000 1.059 259 L CA 0.100 55.041 54.840 0.168 0.000 0.835 259 L CB 0.529 42.723 42.059 0.226 0.000 1.076 259 L HN -0.007 nan 8.230 nan 0.000 0.481 260 V N -0.436 119.558 119.914 0.133 0.000 2.333 260 V HA 0.373 4.493 4.120 -0.000 0.000 0.274 260 V C -2.016 174.142 176.094 0.106 0.000 1.028 260 V CA -1.284 61.096 62.300 0.133 0.000 0.851 260 V CB 1.215 33.083 31.823 0.075 0.000 1.000 260 V HN 0.032 nan 8.190 nan 0.000 0.456 261 P HA 0.233 nan 4.420 nan 0.000 0.259 261 P C -0.504 176.714 177.300 -0.137 0.000 1.233 261 P CA 0.401 63.530 63.100 0.048 0.000 0.827 261 P CB 0.208 32.034 31.700 0.210 0.000 1.154 262 Y N -0.326 120.001 120.300 0.045 0.000 2.361 262 Y HA 0.341 4.891 4.550 -0.000 0.000 0.337 262 Y C -1.528 174.370 175.900 -0.003 0.000 0.965 262 Y CA -2.200 55.897 58.100 -0.005 0.000 1.091 262 Y CB 1.707 40.157 38.460 -0.017 0.000 1.182 262 Y HN -0.237 nan 8.280 nan 0.000 0.450 263 P HA -0.223 nan 4.420 nan 0.000 0.216 263 P C 1.459 178.834 177.300 0.125 0.000 1.154 263 P CA 1.762 64.911 63.100 0.080 0.000 0.865 263 P CB 0.349 32.073 31.700 0.040 0.000 0.789 264 R N -0.342 120.193 120.500 0.058 0.000 2.078 264 R HA -0.030 4.310 4.340 -0.000 0.000 0.224 264 R C 0.784 176.984 176.300 -0.166 0.000 1.149 264 R CA 0.793 56.846 56.100 -0.079 0.000 0.916 264 R CB -1.159 29.073 30.300 -0.113 0.000 0.821 264 R HN 0.021 nan 8.270 nan 0.000 0.434 265 I N 2.001 122.494 120.570 -0.129 0.000 3.641 265 I HA -0.214 3.956 4.170 -0.000 0.000 0.321 265 I C 0.877 177.052 176.117 0.096 0.000 1.145 265 I CA 1.037 62.298 61.300 -0.065 0.000 2.239 265 I CB -0.426 37.513 38.000 -0.101 0.000 1.737 265 I HN 0.358 nan 8.210 nan 0.000 1.081 266 H N 3.350 122.225 119.070 -0.324 0.000 2.497 266 H HA 0.111 4.667 4.556 -0.000 0.000 0.282 266 H C 0.138 175.261 175.328 -0.342 0.000 1.003 266 H CA -0.072 55.633 56.048 -0.571 0.000 1.307 266 H CB 0.194 29.209 29.762 -1.244 0.000 1.437 266 H HN 0.339 nan 8.280 nan 0.000 0.544 267 F N 2.484 122.698 119.950 0.440 0.000 2.368 267 F HA 0.283 4.810 4.527 -0.000 0.000 0.362 267 F C -2.286 173.695 175.800 0.302 0.000 1.137 267 F CA -3.180 55.038 58.000 0.364 0.000 1.161 267 F CB 0.349 39.609 39.000 0.433 0.000 1.265 267 F HN -0.058 nan 8.300 nan 0.000 0.530 268 P HA 0.250 nan 4.420 nan 0.000 0.279 268 P C -1.054 176.437 177.300 0.318 0.000 1.276 268 P CA -0.634 62.693 63.100 0.378 0.000 0.801 268 P CB 1.324 33.307 31.700 0.472 0.000 1.127 269 L N 0.560 121.908 121.223 0.208 0.000 2.343 269 L HA 0.706 5.046 4.340 -0.000 0.000 0.278 269 L C -0.985 175.922 176.870 0.062 0.000 0.996 269 L CA -0.717 54.188 54.840 0.108 0.000 0.831 269 L CB 0.730 42.829 42.059 0.067 0.000 1.232 269 L HN 0.413 nan 8.230 nan 0.000 0.413 270 A N 3.399 126.230 122.820 0.018 0.000 2.303 270 A HA 0.821 5.141 4.320 -0.000 0.000 0.317 270 A C -0.285 177.291 177.584 -0.013 0.000 1.149 270 A CA -0.325 51.696 52.037 -0.027 0.000 0.822 270 A CB 0.807 19.757 19.000 -0.083 0.000 1.131 270 A HN 0.743 nan 8.150 nan 0.000 0.493 271 T N 1.499 116.034 114.554 -0.032 0.000 3.103 271 T HA 0.293 4.643 4.350 -0.000 0.000 0.352 271 T C -0.965 173.715 174.700 -0.033 0.000 1.048 271 T CA -0.112 61.965 62.100 -0.038 0.000 1.175 271 T CB -0.153 68.649 68.868 -0.110 0.000 1.029 271 T HN 0.501 nan 8.240 nan 0.000 0.498 272 Y N 2.820 123.075 120.300 -0.076 0.000 2.309 272 Y HA 0.549 5.099 4.550 -0.000 0.000 0.327 272 Y C 1.188 177.045 175.900 -0.072 0.000 1.172 272 Y CA -0.109 57.947 58.100 -0.073 0.000 1.280 272 Y CB 0.719 39.152 38.460 -0.044 0.000 1.234 272 Y HN 0.734 nan 8.280 nan 0.000 0.512 273 A N 6.083 128.463 122.820 -0.734 0.000 1.889 273 A HA 0.123 4.443 4.320 -0.000 0.000 0.209 273 A C -1.926 175.541 177.584 -0.194 0.000 1.315 273 A CA 0.443 52.214 52.037 -0.443 0.000 0.611 273 A CB -1.627 17.059 19.000 -0.524 0.000 0.950 273 A HN 0.649 nan 8.150 nan 0.000 0.477 274 P HA 0.458 nan 4.420 nan 0.000 0.295 274 P C -1.380 176.002 177.300 0.136 0.000 1.354 274 P CA -0.159 62.940 63.100 -0.001 0.000 0.814 274 P CB 1.353 33.045 31.700 -0.014 0.000 0.935 275 V N 6.183 126.175 119.914 0.131 0.000 2.277 275 V HA 0.367 4.487 4.120 -0.000 0.000 0.269 275 V C 0.119 176.253 176.094 0.067 0.000 1.036 275 V CA -0.402 61.976 62.300 0.129 0.000 0.821 275 V CB 0.765 32.654 31.823 0.111 0.000 1.052 275 V HN 0.430 nan 8.190 nan 0.000 0.462 276 I N 4.547 125.149 120.570 0.054 0.000 2.619 276 I HA 0.577 4.747 4.170 -0.000 0.000 0.292 276 I C 0.411 176.537 176.117 0.016 0.000 1.100 276 I CA -0.075 61.246 61.300 0.036 0.000 1.043 276 I CB 2.594 40.620 38.000 0.044 0.000 1.239 276 I HN 0.592 nan 8.210 nan 0.000 0.420 277 S N 6.127 121.833 115.700 0.012 0.000 2.564 277 S HA 0.743 5.213 4.470 -0.000 0.000 0.278 277 S C 0.361 174.945 174.600 -0.026 0.000 1.333 277 S CA -0.507 57.689 58.200 -0.006 0.000 1.048 277 S CB 0.942 64.141 63.200 -0.001 0.000 0.900 277 S HN 0.955 nan 8.310 nan 0.000 0.505 278 A N 1.891 124.688 122.820 -0.038 0.000 2.466 278 A HA 0.450 4.770 4.320 -0.000 0.000 0.238 278 A C 1.307 178.860 177.584 -0.050 0.000 1.074 278 A CA 0.404 52.404 52.037 -0.062 0.000 0.774 278 A CB -0.307 18.663 19.000 -0.050 0.000 1.015 278 A HN 1.484 nan 8.150 nan 0.000 0.498 279 E N -0.089 120.073 120.200 -0.064 0.000 4.374 279 E HA -0.216 4.134 4.350 -0.000 0.000 0.251 279 E C 0.391 176.918 176.600 -0.122 0.000 0.709 279 E CA 1.585 57.955 56.400 -0.050 0.000 2.266 279 E CB -1.645 28.044 29.700 -0.020 0.000 1.709 279 E HN 0.721 nan 8.360 nan 0.000 0.570 280 K N 0.907 121.228 120.400 -0.131 0.000 2.365 280 K HA 0.315 4.635 4.320 -0.000 0.000 0.197 280 K C 2.089 178.487 176.600 -0.337 0.000 1.042 280 K CA 0.745 56.885 56.287 -0.245 0.000 0.987 280 K CB 0.009 32.533 32.500 0.040 0.000 0.779 280 K HN 0.370 nan 8.250 nan 0.000 0.484 281 A N 0.728 123.393 122.820 -0.257 0.000 2.117 281 A HA -0.218 4.102 4.320 -0.000 0.000 0.224 281 A C 1.382 178.607 177.584 -0.598 0.000 1.167 281 A CA 1.577 53.381 52.037 -0.389 0.000 0.664 281 A CB -0.581 18.157 19.000 -0.437 0.000 0.811 281 A HN 0.323 nan 8.150 nan 0.000 0.470 282 Y N -1.334 118.863 120.300 -0.173 0.000 2.458 282 Y HA 0.164 4.714 4.550 -0.000 0.000 0.254 282 Y C 0.962 176.838 175.900 -0.041 0.000 1.120 282 Y CA -0.530 57.510 58.100 -0.101 0.000 1.282 282 Y CB -0.293 38.120 38.460 -0.078 0.000 1.109 282 Y HN 0.432 nan 8.280 nan 0.000 0.526 283 H N 1.300 120.417 119.070 0.077 0.000 3.092 283 H HA -0.065 4.491 4.556 -0.000 0.000 0.332 283 H C 0.434 175.784 175.328 0.038 0.000 1.029 283 H CA -0.053 56.026 56.048 0.051 0.000 1.376 283 H CB 0.427 30.204 29.762 0.025 0.000 1.329 283 H HN 0.206 nan 8.280 nan 0.000 0.598 284 E N 1.608 121.911 120.200 0.171 0.000 2.529 284 E HA -0.044 4.306 4.350 -0.000 0.000 0.259 284 E C 0.131 176.774 176.600 0.073 0.000 0.966 284 E CA -0.092 56.365 56.400 0.095 0.000 0.937 284 E CB 0.425 30.163 29.700 0.063 0.000 0.923 284 E HN 0.632 nan 8.360 nan 0.000 0.468 285 Q N 3.061 122.891 119.800 0.050 0.000 2.584 285 Q HA 0.242 4.582 4.340 -0.000 0.000 0.235 285 Q C -0.248 175.768 176.000 0.026 0.000 1.079 285 Q CA 0.177 56.000 55.803 0.033 0.000 0.977 285 Q CB 0.104 28.855 28.738 0.021 0.000 1.293 285 Q HN 0.514 nan 8.270 nan 0.000 0.553 286 L N 1.055 122.290 121.223 0.019 0.000 2.375 286 L HA 0.459 4.799 4.340 -0.000 0.000 0.271 286 L C 0.913 177.792 176.870 0.014 0.000 1.107 286 L CA -0.464 54.385 54.840 0.014 0.000 0.806 286 L CB 1.743 43.808 42.059 0.010 0.000 1.146 286 L HN 0.823 nan 8.230 nan 0.000 0.447 287 S N 0.244 115.951 115.700 0.013 0.000 2.585 287 S HA 0.205 4.675 4.470 -0.000 0.000 0.273 287 S C 1.299 175.911 174.600 0.021 0.000 1.339 287 S CA -0.940 57.268 58.200 0.013 0.000 1.028 287 S CB 1.178 64.383 63.200 0.008 0.000 0.906 287 S HN 0.362 nan 8.310 nan 0.000 0.528 288 V N 1.321 121.248 119.914 0.021 0.000 2.453 288 V HA -0.222 3.898 4.120 -0.000 0.000 0.252 288 V C 2.694 178.823 176.094 0.058 0.000 1.068 288 V CA 2.182 64.506 62.300 0.041 0.000 1.070 288 V CB -1.973 29.846 31.823 -0.008 0.000 0.664 288 V HN 1.010 nan 8.190 nan 0.000 0.461 289 A N -0.328 122.509 122.820 0.029 0.000 1.930 289 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 289 A C 2.236 179.842 177.584 0.037 0.000 1.176 289 A CA 1.540 53.594 52.037 0.029 0.000 0.632 289 A CB -0.377 18.628 19.000 0.010 0.000 0.819 289 A HN 0.538 nan 8.150 nan 0.000 0.445 290 E N 0.181 120.397 120.200 0.027 0.000 2.047 290 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 290 E C 1.947 178.558 176.600 0.018 0.000 0.987 290 E CA 1.655 58.068 56.400 0.021 0.000 0.799 290 E CB -0.319 29.388 29.700 0.013 0.000 0.752 290 E HN 0.786 nan 8.360 nan 0.000 0.449 291 I N -1.305 119.272 120.570 0.011 0.000 2.179 291 I HA -0.203 3.967 4.170 -0.000 0.000 0.242 291 I C 2.195 178.290 176.117 -0.038 0.000 1.088 291 I CA 1.341 62.624 61.300 -0.029 0.000 1.357 291 I CB -1.081 36.892 38.000 -0.044 0.000 1.051 291 I HN -0.049 nan 8.210 nan 0.000 0.409 292 T N 1.377 115.950 114.554 0.032 0.000 2.653 292 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 292 T C 1.803 176.556 174.700 0.089 0.000 1.035 292 T CA 2.465 64.599 62.100 0.057 0.000 1.154 292 T CB -0.549 68.407 68.868 0.147 0.000 0.862 292 T HN 0.378 nan 8.240 nan 0.000 0.441 293 N N 0.852 119.611 118.700 0.099 0.000 2.216 293 N HA 0.087 4.827 4.740 -0.000 0.000 0.183 293 N C 1.925 177.507 175.510 0.120 0.000 1.017 293 N CA 1.044 54.183 53.050 0.149 0.000 0.861 293 N CB -0.520 38.019 38.487 0.087 0.000 0.986 293 N HN 0.382 nan 8.380 nan 0.000 0.428 294 A N -0.426 122.417 122.820 0.038 0.000 2.139 294 A HA -0.180 4.140 4.320 -0.000 0.000 0.221 294 A C 2.306 179.867 177.584 -0.039 0.000 1.159 294 A CA 1.272 53.310 52.037 0.003 0.000 0.662 294 A CB -1.032 17.952 19.000 -0.027 0.000 0.796 294 A HN 0.505 nan 8.150 nan 0.000 0.463 295 C N -2.472 116.765 119.300 -0.104 0.000 2.514 295 C HA 0.169 4.629 4.460 -0.000 0.000 0.271 295 C C 1.473 176.215 174.990 -0.412 0.000 1.399 295 C CA 0.144 58.980 59.018 -0.303 0.000 1.765 295 C CB -1.490 25.960 27.740 -0.482 0.000 1.893 295 C HN 0.638 nan 8.230 nan 0.000 0.531 296 F N 0.539 120.494 119.950 0.009 0.000 2.639 296 F HA 0.222 4.749 4.527 -0.000 0.000 0.300 296 F C 0.702 176.525 175.800 0.037 0.000 1.109 296 F CA -0.021 58.002 58.000 0.038 0.000 1.335 296 F CB 0.013 39.035 39.000 0.036 0.000 1.014 296 F HN 0.048 nan 8.300 nan 0.000 0.537 297 E N 2.583 122.853 120.200 0.116 0.000 2.115 297 E HA 0.224 4.574 4.350 -0.000 0.000 0.282 297 E C -1.796 174.833 176.600 0.048 0.000 0.987 297 E CA -2.734 53.714 56.400 0.081 0.000 0.797 297 E CB 1.059 30.792 29.700 0.055 0.000 1.086 297 E HN -0.120 nan 8.360 nan 0.000 0.397 298 P HA -0.196 nan 4.420 nan 0.000 0.221 298 P C 0.660 177.967 177.300 0.011 0.000 1.145 298 P CA 1.132 64.245 63.100 0.023 0.000 0.795 298 P CB 0.253 31.962 31.700 0.014 0.000 0.775 299 A N -0.180 122.651 122.820 0.017 0.000 2.014 299 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 299 A C 2.074 179.669 177.584 0.018 0.000 1.163 299 A CA 1.164 53.211 52.037 0.016 0.000 0.652 299 A CB -0.943 18.067 19.000 0.018 0.000 0.808 299 A HN 0.110 nan 8.150 nan 0.000 0.449 300 N N -0.363 118.347 118.700 0.016 0.000 2.268 300 N HA 0.096 4.836 4.740 -0.000 0.000 0.204 300 N C 0.454 175.972 175.510 0.013 0.000 1.124 300 N CA 0.049 53.109 53.050 0.017 0.000 0.838 300 N CB 0.100 38.592 38.487 0.008 0.000 0.994 300 N HN 0.645 nan 8.380 nan 0.000 0.489 301 Q N -0.486 119.318 119.800 0.007 0.000 2.500 301 Q HA 0.165 4.505 4.340 -0.000 0.000 0.215 301 Q C 1.035 177.039 176.000 0.007 0.000 1.062 301 Q CA 0.281 56.083 55.803 -0.002 0.000 0.996 301 Q CB 0.828 29.558 28.738 -0.013 0.000 1.239 301 Q HN 0.057 nan 8.270 nan 0.000 0.578 302 M N 0.561 120.160 119.600 -0.001 0.000 2.292 302 M HA 0.231 4.711 4.480 -0.000 0.000 0.286 302 M C -1.200 175.092 176.300 -0.014 0.000 1.002 302 M CA 0.319 55.626 55.300 0.011 0.000 1.029 302 M CB 1.299 33.913 32.600 0.024 0.000 1.537 302 M HN 0.286 nan 8.290 nan 0.000 0.543 303 V N 1.099 120.975 119.914 -0.063 0.000 2.532 303 V HA 0.211 4.331 4.120 -0.000 0.000 0.294 303 V C -0.297 175.697 176.094 -0.165 0.000 1.036 303 V CA -1.091 61.116 62.300 -0.155 0.000 0.876 303 V CB 1.913 33.597 31.823 -0.232 0.000 1.012 303 V HN 0.132 nan 8.190 nan 0.000 0.432 304 K N 4.501 124.808 120.400 -0.156 0.000 2.161 304 K HA 0.184 4.504 4.320 -0.000 0.000 0.260 304 K C -0.080 176.420 176.600 -0.166 0.000 1.158 304 K CA 0.552 56.767 56.287 -0.121 0.000 1.172 304 K CB -0.550 31.905 32.500 -0.076 0.000 0.917 304 K HN 0.960 nan 8.250 nan 0.000 0.410 305 C N 0.680 119.894 119.300 -0.143 0.000 3.213 305 C HA 0.663 5.123 4.460 -0.000 0.000 0.378 305 C C -1.710 173.202 174.990 -0.131 0.000 2.095 305 C CA -1.022 57.901 59.018 -0.158 0.000 1.161 305 C CB 1.298 28.921 27.740 -0.197 0.000 2.466 305 C HN 0.691 nan 8.230 nan 0.000 0.426 306 D N 0.554 120.865 120.400 -0.149 0.000 2.386 306 D HA 0.534 5.174 4.640 -0.000 0.000 0.247 306 D C -2.162 174.104 176.300 -0.057 0.000 1.336 306 D CA -1.280 52.647 54.000 -0.122 0.000 0.976 306 D CB 1.889 42.563 40.800 -0.210 0.000 1.257 306 D HN 0.410 nan 8.370 nan 0.000 0.570 307 P HA 0.128 nan 4.420 nan 0.000 0.251 307 P C 0.543 177.821 177.300 -0.037 0.000 1.223 307 P CA 0.147 63.195 63.100 -0.086 0.000 0.796 307 P CB 0.095 31.735 31.700 -0.100 0.000 1.068 308 R N 0.281 120.816 120.500 0.059 0.000 4.496 308 R HA 0.232 4.572 4.340 -0.000 0.000 0.211 308 R C 0.626 176.993 176.300 0.112 0.000 1.738 308 R CA -0.012 56.135 56.100 0.078 0.000 1.528 308 R CB -2.032 28.319 30.300 0.085 0.000 1.414 308 R HN 0.455 nan 8.270 nan 0.000 0.812 309 H N -1.679 117.350 119.070 -0.069 0.000 2.098 309 H HA 0.062 4.618 4.556 -0.000 0.000 0.119 309 H C 0.851 176.122 175.328 -0.094 0.000 1.238 309 H CA 0.496 56.502 56.048 -0.070 0.000 0.999 309 H CB 0.263 29.983 29.762 -0.071 0.000 0.540 309 H HN 0.595 nan 8.280 nan 0.000 0.222 310 G N 2.347 111.094 108.800 -0.089 0.000 2.621 310 G HA2 0.382 4.342 3.960 -0.000 0.000 0.271 310 G HA3 0.382 4.342 3.960 -0.000 0.000 0.271 310 G C -0.383 174.379 174.900 -0.230 0.000 1.236 310 G CA -0.374 44.620 45.100 -0.176 0.000 0.958 310 G HN 0.213 nan 8.290 nan 0.000 0.512 311 K N -1.104 119.154 120.400 -0.237 0.000 2.258 311 K HA 0.340 4.660 4.320 -0.000 0.000 0.236 311 K C -1.450 174.921 176.600 -0.381 0.000 1.008 311 K CA -0.665 55.471 56.287 -0.253 0.000 0.869 311 K CB 1.722 34.123 32.500 -0.164 0.000 1.171 311 K HN 0.493 nan 8.250 nan 0.000 0.447 312 Y N 1.253 121.360 120.300 -0.321 0.000 2.330 312 Y HA 0.173 4.723 4.550 -0.000 0.000 0.336 312 Y C 1.379 177.120 175.900 -0.265 0.000 1.036 312 Y CA -0.415 57.395 58.100 -0.483 0.000 1.125 312 Y CB 1.407 39.147 38.460 -1.201 0.000 1.194 312 Y HN 0.511 nan 8.280 nan 0.000 0.469 313 M N 1.454 121.135 119.600 0.135 0.000 2.306 313 M HA 0.744 5.224 4.480 -0.000 0.000 0.292 313 M C -0.525 176.020 176.300 0.409 0.000 1.018 313 M CA 0.024 55.474 55.300 0.249 0.000 1.007 313 M CB 1.100 33.827 32.600 0.211 0.000 1.510 313 M HN 0.468 nan 8.290 nan 0.000 0.537 314 A N 0.386 123.462 122.820 0.426 0.000 2.562 314 A HA 0.569 4.889 4.320 -0.000 0.000 0.305 314 A C -1.640 176.122 177.584 0.296 0.000 1.059 314 A CA -0.685 51.582 52.037 0.383 0.000 0.835 314 A CB 0.786 19.949 19.000 0.271 0.000 1.299 314 A HN 0.389 nan 8.150 nan 0.000 0.392 315 C N 1.304 120.752 119.300 0.247 0.000 2.507 315 C HA 0.881 5.341 4.460 -0.000 0.000 0.319 315 C C -0.259 174.817 174.990 0.145 0.000 1.208 315 C CA -0.245 58.840 59.018 0.111 0.000 1.619 315 C CB 0.736 28.376 27.740 -0.167 0.000 2.230 315 C HN 1.137 nan 8.230 nan 0.000 0.492 316 C N 5.141 124.545 119.300 0.173 0.000 2.608 316 C HA 0.647 5.107 4.460 -0.000 0.000 0.325 316 C C -1.063 174.007 174.990 0.134 0.000 1.147 316 C CA -0.543 58.569 59.018 0.158 0.000 1.359 316 C CB 0.528 28.329 27.740 0.103 0.000 1.912 316 C HN 0.865 nan 8.230 nan 0.000 0.466 317 L N 5.601 126.909 121.223 0.142 0.000 2.345 317 L HA 0.492 4.832 4.340 -0.000 0.000 0.274 317 L C -0.979 175.883 176.870 -0.013 0.000 0.999 317 L CA -0.417 54.435 54.840 0.020 0.000 0.849 317 L CB 1.258 43.384 42.059 0.113 0.000 1.220 317 L HN 0.521 nan 8.230 nan 0.000 0.422 318 L N 4.727 125.879 121.223 -0.119 0.000 2.287 318 L HA 0.339 4.679 4.340 -0.000 0.000 0.280 318 L C -0.490 176.291 176.870 -0.148 0.000 1.055 318 L CA -0.014 54.790 54.840 -0.059 0.000 0.863 318 L CB 0.064 42.112 42.059 -0.018 0.000 1.245 318 L HN 0.298 nan 8.230 nan 0.000 0.432 319 Y N 2.586 122.852 120.300 -0.057 0.000 2.304 319 Y HA 0.499 5.049 4.550 -0.000 0.000 0.327 319 Y C 0.595 176.451 175.900 -0.072 0.000 1.209 319 Y CA -0.344 57.713 58.100 -0.071 0.000 1.299 319 Y CB 0.818 39.241 38.460 -0.061 0.000 1.249 319 Y HN 0.348 nan 8.280 nan 0.000 0.519 320 R N 1.635 122.181 120.500 0.076 0.000 2.539 320 R HA 0.536 4.876 4.340 -0.000 0.000 0.295 320 R C -0.205 176.114 176.300 0.031 0.000 1.138 320 R CA -0.145 55.965 56.100 0.017 0.000 0.936 320 R CB 1.395 31.696 30.300 0.002 0.000 1.182 320 R HN 0.990 nan 8.270 nan 0.000 0.459 321 G N 1.784 110.609 108.800 0.041 0.000 2.295 321 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.155 321 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.155 321 G C -1.560 173.395 174.900 0.092 0.000 1.307 321 G CA -0.686 44.444 45.100 0.050 0.000 1.140 321 G HN 0.440 nan 8.290 nan 0.000 0.470 322 D N 1.214 121.648 120.400 0.057 0.000 2.479 322 D HA 0.531 5.171 4.640 -0.000 0.000 0.218 322 D C -0.451 175.869 176.300 0.034 0.000 1.131 322 D CA 0.101 54.126 54.000 0.041 0.000 0.916 322 D CB 0.663 41.470 40.800 0.011 0.000 1.022 322 D HN 0.471 nan 8.370 nan 0.000 0.515 323 V N 3.971 123.920 119.914 0.058 0.000 2.577 323 V HA 0.180 4.300 4.120 -0.000 0.000 0.294 323 V C 0.180 176.282 176.094 0.012 0.000 1.052 323 V CA -0.987 61.315 62.300 0.004 0.000 0.891 323 V CB 1.905 33.695 31.823 -0.054 0.000 1.017 323 V HN 0.151 nan 8.190 nan 0.000 0.436 324 V N 6.661 126.559 119.914 -0.027 0.000 2.614 324 V HA 0.197 4.317 4.120 -0.000 0.000 0.291 324 V C -1.233 174.818 176.094 -0.072 0.000 1.049 324 V CA -1.112 61.171 62.300 -0.028 0.000 1.038 324 V CB 1.426 33.227 31.823 -0.037 0.000 0.980 324 V HN 0.698 nan 8.190 nan 0.000 0.481 325 P HA -0.095 nan 4.420 nan 0.000 0.219 325 P C 1.289 178.528 177.300 -0.101 0.000 1.146 325 P CA 0.942 63.977 63.100 -0.109 0.000 0.808 325 P CB 0.102 31.765 31.700 -0.062 0.000 0.779 326 K N -0.401 119.958 120.400 -0.069 0.000 2.515 326 K HA -0.084 4.236 4.320 -0.000 0.000 0.196 326 K C 0.859 177.420 176.600 -0.065 0.000 1.038 326 K CA 0.974 57.227 56.287 -0.058 0.000 0.967 326 K CB -0.346 32.130 32.500 -0.040 0.000 0.780 326 K HN 0.372 nan 8.250 nan 0.000 0.483 327 D N 0.287 120.636 120.400 -0.085 0.000 2.259 327 D HA -0.057 4.583 4.640 -0.000 0.000 0.216 327 D C 2.045 178.276 176.300 -0.115 0.000 0.961 327 D CA 0.341 54.291 54.000 -0.084 0.000 0.878 327 D CB -0.261 40.494 40.800 -0.075 0.000 1.009 327 D HN -0.146 nan 8.370 nan 0.000 0.490 328 V N 2.090 121.887 119.914 -0.196 0.000 2.324 328 V HA -0.306 3.814 4.120 -0.000 0.000 0.250 328 V C 2.131 178.133 176.094 -0.154 0.000 1.060 328 V CA 1.803 63.936 62.300 -0.279 0.000 1.042 328 V CB -0.695 30.829 31.823 -0.499 0.000 0.650 328 V HN 0.221 nan 8.190 nan 0.000 0.450 329 N N -0.266 118.363 118.700 -0.118 0.000 2.028 329 N HA -0.174 4.566 4.740 -0.000 0.000 0.194 329 N C 1.943 177.412 175.510 -0.069 0.000 1.050 329 N CA 1.278 54.281 53.050 -0.079 0.000 0.848 329 N CB -0.306 38.147 38.487 -0.058 0.000 1.038 329 N HN 0.467 nan 8.380 nan 0.000 0.423 330 A N 0.955 123.740 122.820 -0.060 0.000 2.032 330 A HA -0.122 4.198 4.320 -0.000 0.000 0.221 330 A C 2.180 179.737 177.584 -0.045 0.000 1.165 330 A CA 1.835 53.845 52.037 -0.046 0.000 0.645 330 A CB -0.689 18.288 19.000 -0.039 0.000 0.807 330 A HN 0.444 nan 8.150 nan 0.000 0.453 331 A N 0.005 122.795 122.820 -0.050 0.000 1.832 331 A HA -0.017 4.303 4.320 -0.000 0.000 0.214 331 A C 2.006 179.554 177.584 -0.060 0.000 1.204 331 A CA 1.348 53.363 52.037 -0.036 0.000 0.606 331 A CB -0.745 18.250 19.000 -0.009 0.000 0.849 331 A HN 0.416 nan 8.150 nan 0.000 0.445 332 I N 0.283 120.793 120.570 -0.099 0.000 2.181 332 I HA -0.416 3.754 4.170 -0.000 0.000 0.247 332 I C 2.909 178.950 176.117 -0.126 0.000 1.081 332 I CA 1.357 62.545 61.300 -0.186 0.000 1.340 332 I CB -0.296 37.547 38.000 -0.262 0.000 1.036 332 I HN 0.409 nan 8.210 nan 0.000 0.417 333 A N 0.347 123.121 122.820 -0.077 0.000 1.869 333 A HA -0.316 4.004 4.320 -0.000 0.000 0.218 333 A C 2.342 179.896 177.584 -0.050 0.000 1.203 333 A CA 3.038 55.045 52.037 -0.049 0.000 0.638 333 A CB -1.409 17.570 19.000 -0.035 0.000 0.831 333 A HN 0.527 nan 8.150 nan 0.000 0.450 334 T N -2.084 112.440 114.554 -0.051 0.000 3.081 334 T HA 0.250 4.600 4.350 -0.000 0.000 0.255 334 T C 1.816 176.478 174.700 -0.064 0.000 1.113 334 T CA 0.964 63.037 62.100 -0.045 0.000 1.082 334 T CB -0.647 68.203 68.868 -0.030 0.000 0.939 334 T HN 0.705 nan 8.240 nan 0.000 0.506 335 I N 1.507 122.019 120.570 -0.097 0.000 2.394 335 I HA 0.249 4.419 4.170 -0.000 0.000 0.251 335 I C 2.900 178.906 176.117 -0.186 0.000 1.136 335 I CA 1.987 63.186 61.300 -0.169 0.000 1.425 335 I CB -1.936 35.915 38.000 -0.249 0.000 1.079 335 I HN 0.621 nan 8.210 nan 0.000 0.425 336 K N -0.458 119.871 120.400 -0.119 0.000 2.021 336 K HA -0.115 4.205 4.320 -0.000 0.000 0.205 336 K C 2.250 178.823 176.600 -0.045 0.000 1.047 336 K CA 1.690 57.939 56.287 -0.064 0.000 0.943 336 K CB -1.788 30.710 32.500 -0.004 0.000 0.725 336 K HN 0.580 nan 8.250 nan 0.000 0.439 337 T N 0.332 114.864 114.554 -0.036 0.000 2.760 337 T HA -0.064 4.286 4.350 -0.000 0.000 0.269 337 T C 2.012 176.696 174.700 -0.026 0.000 1.047 337 T CA 2.261 64.346 62.100 -0.024 0.000 1.139 337 T CB -0.245 68.610 68.868 -0.021 0.000 0.855 337 T HN 0.684 nan 8.240 nan 0.000 0.471 338 K N 0.832 121.209 120.400 -0.038 0.000 2.537 338 K HA 0.360 4.680 4.320 -0.000 0.000 0.206 338 K C 0.561 177.137 176.600 -0.039 0.000 1.041 338 K CA -0.325 55.943 56.287 -0.031 0.000 1.090 338 K CB 0.468 32.952 32.500 -0.026 0.000 0.833 338 K HN 0.103 nan 8.250 nan 0.000 0.493 339 R N -1.525 118.944 120.500 -0.052 0.000 2.833 339 R HA 0.401 4.741 4.340 -0.000 0.000 0.264 339 R C -0.857 175.418 176.300 -0.042 0.000 1.084 339 R CA -0.760 55.303 56.100 -0.061 0.000 0.960 339 R CB 0.514 30.736 30.300 -0.130 0.000 1.245 339 R HN 0.065 nan 8.270 nan 0.000 0.456 340 T N 3.163 117.699 114.554 -0.030 0.000 2.978 340 T HA 0.133 4.483 4.350 -0.000 0.000 0.278 340 T C 1.989 176.688 174.700 -0.002 0.000 0.945 340 T CA -0.205 61.897 62.100 0.004 0.000 1.070 340 T CB -0.389 68.501 68.868 0.037 0.000 0.948 340 T HN 0.302 nan 8.240 nan 0.000 0.617 341 I N 2.429 123.002 120.570 0.004 0.000 2.043 341 I HA -0.230 3.940 4.170 -0.000 0.000 0.231 341 I C 1.909 178.064 176.117 0.063 0.000 1.024 341 I CA 1.893 63.213 61.300 0.034 0.000 1.309 341 I CB -1.712 36.331 38.000 0.072 0.000 1.030 341 I HN 0.673 nan 8.210 nan 0.000 0.389 342 Q N -0.578 119.271 119.800 0.081 0.000 2.467 342 Q HA -0.187 4.152 4.340 -0.000 0.000 0.257 342 Q C 0.039 176.058 176.000 0.032 0.000 0.780 342 Q CA 0.942 56.786 55.803 0.067 0.000 1.193 342 Q CB -2.845 25.965 28.738 0.120 0.000 1.250 342 Q HN 0.552 nan 8.270 nan 0.000 0.715 343 F N -0.705 119.271 119.950 0.043 0.000 2.399 343 F HA 0.559 5.086 4.527 -0.000 0.000 0.342 343 F C 1.223 176.961 175.800 -0.102 0.000 1.106 343 F CA -0.160 57.836 58.000 -0.006 0.000 1.196 343 F CB 1.910 40.879 39.000 -0.051 0.000 1.163 343 F HN 0.244 nan 8.300 nan 0.000 0.547 344 V N 5.884 125.852 119.914 0.090 0.000 2.389 344 V HA 0.027 4.147 4.120 -0.000 0.000 0.264 344 V C 0.692 176.548 176.094 -0.396 0.000 1.049 344 V CA -0.022 62.135 62.300 -0.240 0.000 0.932 344 V CB 0.379 31.929 31.823 -0.455 0.000 1.011 344 V HN 0.936 nan 8.190 nan 0.000 0.475 345 D N 4.712 124.961 120.400 -0.251 0.000 4.253 345 D HA -0.268 4.372 4.640 -0.000 0.000 0.384 345 D C 0.705 176.982 176.300 -0.037 0.000 1.474 345 D CA 3.079 56.978 54.000 -0.167 0.000 1.346 345 D CB -0.322 40.376 40.800 -0.170 0.000 0.619 345 D HN 0.884 nan 8.370 nan 0.000 0.901 346 W N 0.522 121.874 121.300 0.087 0.000 1.710 346 W HA 0.510 5.170 4.660 -0.000 0.000 0.326 346 W C -0.392 176.161 176.519 0.058 0.000 0.801 346 W CA -0.855 56.529 57.345 0.066 0.000 2.715 346 W CB -0.302 29.203 29.460 0.074 0.000 1.934 346 W HN 0.228 nan 8.180 nan 0.000 0.609 347 C N 1.628 121.100 119.300 0.286 0.000 3.146 347 C HA 0.412 4.872 4.460 -0.000 0.000 0.405 347 C C -1.632 173.326 174.990 -0.054 0.000 1.012 347 C CA -1.367 57.784 59.018 0.222 0.000 1.217 347 C CB 0.687 28.645 27.740 0.362 0.000 1.599 347 C HN 0.325 nan 8.230 nan 0.000 0.567 348 P HA -0.105 nan 4.420 nan 0.000 0.296 348 P C 0.155 177.159 177.300 -0.494 0.000 1.937 348 P CA 1.529 64.490 63.100 -0.232 0.000 1.733 348 P CB -0.136 31.433 31.700 -0.218 0.000 0.296 349 T N -3.511 110.687 114.554 -0.594 0.000 3.658 349 T HA 0.486 4.836 4.350 -0.000 0.000 0.245 349 T C 0.982 175.184 174.700 -0.830 0.000 1.292 349 T CA -0.199 61.294 62.100 -1.013 0.000 1.598 349 T CB 0.218 68.879 68.868 -0.345 0.000 0.861 349 T HN 0.579 nan 8.240 nan 0.000 0.663 350 G N 2.092 110.331 108.800 -0.936 0.000 4.008 350 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.263 350 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.263 350 G C 0.211 175.025 174.900 -0.143 0.000 0.863 350 G CA 0.340 45.199 45.100 -0.401 0.000 0.744 350 G HN 0.855 nan 8.290 nan 0.000 1.443 351 F N -0.765 119.246 119.950 0.101 0.000 2.305 351 F HA -0.122 4.405 4.527 -0.000 0.000 0.450 351 F C 0.547 176.386 175.800 0.064 0.000 1.197 351 F CA 0.313 58.377 58.000 0.107 0.000 1.457 351 F CB -1.170 37.899 39.000 0.114 0.000 2.232 351 F HN 0.210 nan 8.300 nan 0.000 0.758 352 K N 2.287 122.809 120.400 0.203 0.000 2.276 352 K HA 0.601 4.921 4.320 -0.000 0.000 0.285 352 K C -0.240 176.448 176.600 0.147 0.000 1.062 352 K CA -0.695 55.668 56.287 0.127 0.000 0.918 352 K CB 2.135 34.676 32.500 0.069 0.000 1.055 352 K HN 0.150 nan 8.250 nan 0.000 0.477 353 V N 1.986 121.977 119.914 0.128 0.000 2.417 353 V HA 0.445 4.565 4.120 -0.000 0.000 0.291 353 V C 0.457 176.605 176.094 0.089 0.000 1.024 353 V CA -0.896 61.490 62.300 0.145 0.000 0.861 353 V CB 1.620 33.521 31.823 0.129 0.000 0.985 353 V HN 0.921 nan 8.190 nan 0.000 0.436 354 G N 4.420 113.281 108.800 0.101 0.000 2.470 354 G HA2 0.764 4.724 3.960 -0.000 0.000 0.320 354 G HA3 0.764 4.724 3.960 -0.000 0.000 0.320 354 G C -1.069 173.862 174.900 0.051 0.000 1.245 354 G CA -0.553 44.571 45.100 0.039 0.000 0.935 354 G HN 0.613 nan 8.290 nan 0.000 0.476 355 I N 1.513 122.050 120.570 -0.055 0.000 2.378 355 I HA 0.254 4.424 4.170 -0.000 0.000 0.291 355 I C -0.390 175.533 176.117 -0.322 0.000 0.992 355 I CA -0.688 60.538 61.300 -0.125 0.000 1.154 355 I CB 2.187 40.093 38.000 -0.157 0.000 1.315 355 I HN 0.379 nan 8.210 nan 0.000 0.448 356 N N 4.076 122.630 118.700 -0.244 0.000 2.476 356 N HA 0.308 5.048 4.740 -0.000 0.000 0.257 356 N C 0.408 175.752 175.510 -0.278 0.000 0.970 356 N CA -0.448 52.405 53.050 -0.328 0.000 0.938 356 N CB 0.785 39.172 38.487 -0.167 0.000 1.144 356 N HN 0.425 nan 8.380 nan 0.000 0.500 357 Y N 0.937 121.182 120.300 -0.091 0.000 2.256 357 Y HA -0.192 4.358 4.550 -0.000 0.000 0.288 357 Y C 1.160 176.972 175.900 -0.147 0.000 1.155 357 Y CA 0.223 58.267 58.100 -0.095 0.000 1.203 357 Y CB -0.001 38.416 38.460 -0.072 0.000 0.980 357 Y HN 0.537 nan 8.280 nan 0.000 0.530 358 Q N 2.512 122.226 119.800 -0.142 0.000 2.339 358 Q HA -0.023 4.317 4.340 -0.000 0.000 0.308 358 Q C -2.508 173.387 176.000 -0.174 0.000 1.097 358 Q CA -1.012 54.621 55.803 -0.284 0.000 1.007 358 Q CB 0.283 28.536 28.738 -0.809 0.000 1.051 358 Q HN 0.062 nan 8.270 nan 0.000 0.381 359 P HA 0.148 nan 4.420 nan 0.000 0.275 359 P C -2.571 174.704 177.300 -0.041 0.000 1.228 359 P CA -1.364 61.711 63.100 -0.041 0.000 0.786 359 P CB 0.318 32.006 31.700 -0.021 0.000 0.927 360 P HA 0.090 nan 4.420 nan 0.000 0.276 360 P C -0.529 176.783 177.300 0.020 0.000 1.243 360 P CA 0.112 63.228 63.100 0.027 0.000 0.768 360 P CB 0.151 31.900 31.700 0.081 0.000 0.856 361 T N 0.608 115.173 114.554 0.018 0.000 2.934 361 T HA 0.607 4.957 4.350 -0.000 0.000 0.283 361 T C 0.334 175.044 174.700 0.016 0.000 1.005 361 T CA -0.704 61.404 62.100 0.014 0.000 1.041 361 T CB 1.226 70.102 68.868 0.012 0.000 1.042 361 T HN 0.347 nan 8.240 nan 0.000 0.505 362 V N -1.376 118.543 119.914 0.008 0.000 2.925 362 V HA 0.602 4.722 4.120 -0.000 0.000 0.311 362 V C -0.075 176.021 176.094 0.003 0.000 1.104 362 V CA -1.455 60.845 62.300 -0.001 0.000 0.954 362 V CB 1.418 33.236 31.823 -0.008 0.000 1.022 362 V HN 0.823 nan 8.190 nan 0.000 0.427 363 V N 4.454 124.369 119.914 0.002 0.000 2.557 363 V HA 0.083 4.203 4.120 -0.000 0.000 0.301 363 V C -0.493 175.604 176.094 0.004 0.000 1.026 363 V CA -0.043 62.264 62.300 0.012 0.000 1.137 363 V CB 0.446 32.276 31.823 0.011 0.000 0.917 363 V HN 0.952 nan 8.190 nan 0.000 0.484 364 P HA -0.057 nan 4.420 nan 0.000 0.216 364 P C 1.122 178.421 177.300 -0.001 0.000 1.153 364 P CA 1.529 64.632 63.100 0.004 0.000 0.848 364 P CB 0.282 31.988 31.700 0.010 0.000 0.787 365 G N -0.341 108.457 108.800 -0.002 0.000 3.518 365 G HA2 0.353 4.313 3.960 -0.000 0.000 0.273 365 G HA3 0.353 4.313 3.960 -0.000 0.000 0.273 365 G C 0.752 175.647 174.900 -0.008 0.000 1.199 365 G CA 0.084 45.181 45.100 -0.006 0.000 0.899 365 G HN 0.418 nan 8.290 nan 0.000 0.533 366 G N -0.336 108.458 108.800 -0.009 0.000 2.509 366 G HA2 0.340 4.300 3.960 -0.000 0.000 0.269 366 G HA3 0.340 4.300 3.960 -0.000 0.000 0.269 366 G C 0.269 175.159 174.900 -0.016 0.000 1.416 366 G CA -0.224 44.868 45.100 -0.013 0.000 1.052 366 G HN 0.123 nan 8.290 nan 0.000 0.542 367 D N -1.154 119.234 120.400 -0.020 0.000 2.423 367 D HA 0.096 4.736 4.640 -0.000 0.000 0.208 367 D C 0.117 176.404 176.300 -0.022 0.000 1.068 367 D CA 0.244 54.232 54.000 -0.021 0.000 0.860 367 D CB 0.697 41.484 40.800 -0.021 0.000 0.992 367 D HN 0.027 nan 8.370 nan 0.000 0.504 368 L N 0.699 121.908 121.223 -0.024 0.000 2.325 368 L HA 0.608 4.948 4.340 -0.000 0.000 0.278 368 L C 0.223 177.076 176.870 -0.027 0.000 1.023 368 L CA -1.207 53.622 54.840 -0.019 0.000 0.811 368 L CB 1.327 43.376 42.059 -0.016 0.000 1.249 368 L HN -0.253 nan 8.230 nan 0.000 0.431 369 A N 1.427 124.226 122.820 -0.034 0.000 2.279 369 A HA 0.642 4.962 4.320 -0.000 0.000 0.303 369 A C -0.193 177.357 177.584 -0.056 0.000 1.108 369 A CA -0.766 51.230 52.037 -0.069 0.000 0.830 369 A CB 0.273 19.207 19.000 -0.110 0.000 1.106 369 A HN 0.789 nan 8.150 nan 0.000 0.493 370 K N 0.649 121.002 120.400 -0.079 0.000 2.412 370 K HA 0.395 4.715 4.320 -0.000 0.000 0.284 370 K C -0.577 175.995 176.600 -0.047 0.000 1.046 370 K CA -0.260 55.996 56.287 -0.052 0.000 0.999 370 K CB 0.095 32.561 32.500 -0.057 0.000 0.941 370 K HN 0.250 nan 8.250 nan 0.000 0.474 371 V N 2.258 122.166 119.914 -0.009 0.000 2.713 371 V HA 0.098 4.218 4.120 -0.000 0.000 0.307 371 V C 1.014 177.108 176.094 0.000 0.000 1.052 371 V CA -1.006 61.292 62.300 -0.002 0.000 0.967 371 V CB 1.568 33.405 31.823 0.023 0.000 1.019 371 V HN 0.766 nan 8.190 nan 0.000 0.459 372 Q N 1.937 121.737 119.800 -0.001 0.000 2.137 372 Q HA 0.023 4.363 4.340 -0.000 0.000 0.198 372 Q C 0.515 176.522 176.000 0.011 0.000 0.960 372 Q CA 1.144 56.949 55.803 0.004 0.000 0.847 372 Q CB 0.064 28.805 28.738 0.006 0.000 0.915 372 Q HN 0.872 nan 8.270 nan 0.000 0.448 373 R N -1.146 119.361 120.500 0.012 0.000 2.536 373 R HA 0.776 5.116 4.340 -0.000 0.000 0.269 373 R C -1.563 174.729 176.300 -0.013 0.000 1.113 373 R CA -0.426 55.686 56.100 0.019 0.000 0.948 373 R CB 1.281 31.606 30.300 0.041 0.000 1.237 373 R HN -0.044 nan 8.270 nan 0.000 0.441 374 A N 2.457 125.248 122.820 -0.049 0.000 2.423 374 A HA 0.812 5.132 4.320 -0.000 0.000 0.304 374 A C -0.767 176.651 177.584 -0.277 0.000 1.104 374 A CA -0.758 51.155 52.037 -0.206 0.000 0.757 374 A CB 2.104 20.952 19.000 -0.253 0.000 1.313 374 A HN 0.440 nan 8.150 nan 0.000 0.423 375 V N -0.823 118.802 119.914 -0.481 0.000 3.113 375 V HA 0.529 4.649 4.120 -0.000 0.000 0.316 375 V C 0.502 176.274 176.094 -0.538 0.000 1.125 375 V CA -0.347 61.608 62.300 -0.575 0.000 1.026 375 V CB 1.557 32.974 31.823 -0.677 0.000 1.080 375 V HN 1.180 nan 8.190 nan 0.000 0.444 376 C N 0.992 120.043 119.300 -0.415 0.000 3.484 376 C HA 0.445 4.905 4.460 -0.000 0.000 0.543 376 C C 0.892 175.772 174.990 -0.183 0.000 1.395 376 C CA 0.325 59.204 59.018 -0.233 0.000 2.412 376 C CB -0.448 27.245 27.740 -0.079 0.000 3.532 376 C HN 1.037 nan 8.230 nan 0.000 0.584 377 M N 1.506 120.984 119.600 -0.205 0.000 3.980 377 M HA -0.180 4.300 4.480 -0.000 0.000 0.157 377 M C -1.836 174.424 176.300 -0.066 0.000 1.523 377 M CA 0.748 55.958 55.300 -0.150 0.000 1.077 377 M CB -0.506 31.925 32.600 -0.282 0.000 1.342 377 M HN 0.358 nan 8.290 nan 0.000 0.263 378 L N 5.877 127.105 121.223 0.009 0.000 2.272 378 L HA 0.688 5.028 4.340 -0.000 0.000 0.289 378 L C 0.088 177.038 176.870 0.134 0.000 1.032 378 L CA -0.569 54.317 54.840 0.076 0.000 0.810 378 L CB 1.658 43.797 42.059 0.133 0.000 1.205 378 L HN 0.792 nan 8.230 nan 0.000 0.422 379 S N 1.411 117.214 115.700 0.171 0.000 2.561 379 S HA 0.284 4.754 4.470 -0.000 0.000 0.303 379 S C -0.567 174.196 174.600 0.271 0.000 1.110 379 S CA -0.897 57.454 58.200 0.252 0.000 1.034 379 S CB 1.648 65.079 63.200 0.385 0.000 1.010 379 S HN 0.654 nan 8.310 nan 0.000 0.482 380 N N 2.295 121.164 118.700 0.283 0.000 2.868 380 N HA 0.171 4.911 4.740 -0.000 0.000 0.252 380 N C -0.607 175.034 175.510 0.218 0.000 1.130 380 N CA 0.015 53.230 53.050 0.276 0.000 1.026 380 N CB 0.341 39.008 38.487 0.299 0.000 1.335 380 N HN 0.656 nan 8.380 nan 0.000 0.516 381 T N 0.449 115.059 114.554 0.093 0.000 2.859 381 T HA 0.072 4.422 4.350 -0.000 0.000 0.281 381 T C 1.729 176.399 174.700 -0.051 0.000 1.005 381 T CA -0.569 61.449 62.100 -0.136 0.000 1.025 381 T CB 1.409 69.959 68.868 -0.529 0.000 0.977 381 T HN 0.496 nan 8.240 nan 0.000 0.458 382 T N 2.260 116.790 114.554 -0.040 0.000 3.025 382 T HA -0.011 4.339 4.350 -0.000 0.000 0.270 382 T C 2.092 176.700 174.700 -0.154 0.000 1.126 382 T CA 1.245 63.355 62.100 0.018 0.000 1.105 382 T CB -0.514 68.395 68.868 0.070 0.000 0.884 382 T HN 0.684 nan 8.240 nan 0.000 0.522 383 A N 1.484 124.198 122.820 -0.177 0.000 1.972 383 A HA 0.121 4.441 4.320 -0.000 0.000 0.219 383 A C 2.298 179.760 177.584 -0.204 0.000 1.169 383 A CA 1.251 53.201 52.037 -0.146 0.000 0.635 383 A CB -0.902 18.006 19.000 -0.154 0.000 0.810 383 A HN 0.660 nan 8.150 nan 0.000 0.446 384 I N -0.303 120.108 120.570 -0.266 0.000 2.800 384 I HA -0.242 3.928 4.170 -0.000 0.000 0.266 384 I C 2.321 178.154 176.117 -0.474 0.000 1.249 384 I CA 0.909 61.999 61.300 -0.348 0.000 1.458 384 I CB -0.125 37.713 38.000 -0.269 0.000 1.093 384 I HN 0.360 nan 8.210 nan 0.000 0.466 385 A N -0.006 122.548 122.820 -0.443 0.000 2.178 385 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 385 A C 2.023 179.535 177.584 -0.120 0.000 1.157 385 A CA 1.385 53.269 52.037 -0.255 0.000 0.689 385 A CB -0.460 18.411 19.000 -0.215 0.000 0.787 385 A HN 0.544 nan 8.150 nan 0.000 0.465 386 E N -0.114 119.986 120.200 -0.167 0.000 2.085 386 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 386 E C 2.174 178.684 176.600 -0.149 0.000 0.994 386 E CA 1.362 57.686 56.400 -0.127 0.000 0.801 386 E CB -0.225 29.383 29.700 -0.153 0.000 0.743 386 E HN 0.633 nan 8.360 nan 0.000 0.453 387 A N -0.367 122.263 122.820 -0.315 0.000 1.968 387 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 387 A C 1.761 179.237 177.584 -0.179 0.000 1.169 387 A CA 0.842 52.638 52.037 -0.401 0.000 0.638 387 A CB -0.909 17.501 19.000 -0.984 0.000 0.812 387 A HN 0.457 nan 8.150 nan 0.000 0.446 388 W N -0.314 120.901 121.300 -0.141 0.000 2.374 388 W HA -0.075 4.585 4.660 -0.000 0.000 0.288 388 W C 2.646 179.128 176.519 -0.061 0.000 1.218 388 W CA 0.784 58.059 57.345 -0.117 0.000 1.245 388 W CB 0.120 29.482 29.460 -0.162 0.000 1.126 388 W HN 0.424 nan 8.180 nan 0.000 0.545 389 A N 0.506 123.432 122.820 0.175 0.000 1.861 389 A HA -0.087 4.233 4.320 -0.000 0.000 0.212 389 A C 1.821 179.484 177.584 0.131 0.000 1.199 389 A CA 1.018 53.129 52.037 0.123 0.000 0.613 389 A CB -0.768 18.273 19.000 0.070 0.000 0.846 389 A HN 0.181 nan 8.150 nan 0.000 0.446 390 R N -1.027 119.534 120.500 0.101 0.000 2.174 390 R HA -0.201 4.139 4.340 -0.000 0.000 0.253 390 R C 1.888 178.278 176.300 0.150 0.000 1.165 390 R CA 1.575 57.746 56.100 0.118 0.000 0.984 390 R CB -0.523 29.834 30.300 0.095 0.000 0.873 390 R HN 0.428 nan 8.270 nan 0.000 0.456 391 L N 0.670 121.988 121.223 0.158 0.000 2.023 391 L HA -0.116 4.223 4.340 -0.000 0.000 0.205 391 L C 1.444 178.398 176.870 0.139 0.000 1.073 391 L CA 1.852 56.750 54.840 0.097 0.000 0.745 391 L CB -0.371 41.732 42.059 0.074 0.000 0.900 391 L HN 0.037 nan 8.230 nan 0.000 0.435 392 D N -1.865 118.621 120.400 0.143 0.000 2.178 392 D HA -0.223 4.417 4.640 -0.000 0.000 0.201 392 D C 2.082 178.511 176.300 0.215 0.000 0.980 392 D CA 1.130 55.202 54.000 0.120 0.000 0.842 392 D CB -0.246 40.574 40.800 0.033 0.000 0.948 392 D HN 0.456 nan 8.370 nan 0.000 0.472 393 H N 0.604 119.743 119.070 0.115 0.000 2.389 393 H HA -0.054 4.502 4.556 -0.000 0.000 0.299 393 H C 1.728 177.136 175.328 0.134 0.000 1.081 393 H CA 1.248 57.365 56.048 0.115 0.000 1.345 393 H CB 0.436 30.244 29.762 0.077 0.000 1.393 393 H HN -0.055 nan 8.280 nan 0.000 0.520 394 K N 0.265 120.717 120.400 0.088 0.000 1.991 394 K HA -0.159 4.161 4.320 -0.000 0.000 0.212 394 K C 2.105 178.756 176.600 0.085 0.000 1.049 394 K CA 1.681 57.982 56.287 0.025 0.000 0.932 394 K CB -0.717 31.802 32.500 0.033 0.000 0.717 394 K HN 0.167 nan 8.250 nan 0.000 0.441 395 F N 2.074 122.044 119.950 0.033 0.000 2.015 395 F HA -0.390 4.137 4.527 0.000 0.000 0.297 395 F C 1.806 177.721 175.800 0.192 0.000 1.141 395 F CA 1.980 60.072 58.000 0.152 0.000 1.192 395 F CB -0.303 38.775 39.000 0.130 0.000 0.957 395 F HN 0.131 nan 8.300 nan 0.000 0.491 396 D N 0.501 121.258 120.400 0.595 0.000 2.220 396 D HA -0.241 4.399 4.640 -0.000 0.000 0.198 396 D C 1.972 178.417 176.300 0.241 0.000 1.001 396 D CA 1.918 56.183 54.000 0.442 0.000 0.875 396 D CB -0.540 40.409 40.800 0.248 0.000 0.921 396 D HN 0.538 nan 8.370 nan 0.000 0.454 397 L N -2.637 118.635 121.223 0.082 0.000 2.607 397 L HA 0.262 4.602 4.340 -0.000 0.000 0.228 397 L C 1.734 178.621 176.870 0.028 0.000 1.123 397 L CA 0.156 54.989 54.840 -0.012 0.000 0.890 397 L CB 0.122 42.059 42.059 -0.203 0.000 1.103 397 L HN -0.122 nan 8.230 nan 0.000 0.468 398 M N -1.219 118.428 119.600 0.079 0.000 2.553 398 M HA -0.014 4.466 4.480 -0.000 0.000 0.255 398 M C 2.007 178.429 176.300 0.202 0.000 1.181 398 M CA 1.071 56.438 55.300 0.112 0.000 1.210 398 M CB -0.245 32.360 32.600 0.008 0.000 1.280 398 M HN 0.266 nan 8.290 nan 0.000 0.495 399 Y N 1.573 121.956 120.300 0.138 0.000 2.241 399 Y HA -0.223 4.327 4.550 -0.000 0.000 0.286 399 Y C 2.176 178.091 175.900 0.025 0.000 1.166 399 Y CA 1.476 59.588 58.100 0.020 0.000 1.203 399 Y CB -0.469 37.949 38.460 -0.069 0.000 0.977 399 Y HN 0.283 nan 8.280 nan 0.000 0.529 400 A N -0.554 122.319 122.820 0.089 0.000 2.255 400 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 400 A C 1.796 179.324 177.584 -0.095 0.000 1.175 400 A CA 2.052 54.091 52.037 0.004 0.000 0.682 400 A CB -0.506 18.524 19.000 0.050 0.000 0.784 400 A HN 0.548 nan 8.150 nan 0.000 0.482 401 K N -2.786 117.532 120.400 -0.137 0.000 2.603 401 K HA 0.158 4.478 4.320 -0.000 0.000 0.195 401 K C 0.172 176.660 176.600 -0.186 0.000 1.213 401 K CA -0.396 55.807 56.287 -0.139 0.000 1.084 401 K CB 0.777 33.231 32.500 -0.075 0.000 0.981 401 K HN 0.134 nan 8.250 nan 0.000 0.577 402 R N -1.269 119.045 120.500 -0.311 0.000 4.023 402 R HA -0.292 4.048 4.340 -0.000 0.000 0.368 402 R C 1.114 177.376 176.300 -0.062 0.000 1.187 402 R CA 1.010 56.926 56.100 -0.307 0.000 1.089 402 R CB -2.767 27.356 30.300 -0.295 0.000 1.574 402 R HN 0.433 nan 8.270 nan 0.000 0.564 403 A N -0.308 122.508 122.820 -0.007 0.000 1.885 403 A HA -0.288 4.032 4.320 -0.000 0.000 0.260 403 A C 1.593 179.083 177.584 -0.156 0.000 2.398 403 A CA 2.609 54.622 52.037 -0.040 0.000 0.786 403 A CB -0.775 18.300 19.000 0.126 0.000 0.834 403 A HN 0.405 nan 8.150 nan 0.000 0.548 404 F N -4.129 116.076 119.950 0.425 0.000 2.915 404 F HA 0.219 4.746 4.527 -0.000 0.000 0.347 404 F C 1.618 177.724 175.800 0.511 0.000 1.104 404 F CA 0.264 58.576 58.000 0.521 0.000 1.126 404 F CB 0.404 39.733 39.000 0.548 0.000 1.145 404 F HN 0.022 nan 8.300 nan 0.000 0.541 405 V N 2.099 122.250 119.914 0.396 0.000 2.311 405 V HA -0.400 3.720 4.120 -0.000 0.000 0.256 405 V C 2.797 179.021 176.094 0.216 0.000 1.077 405 V CA 2.915 65.237 62.300 0.038 0.000 1.067 405 V CB -0.540 31.055 31.823 -0.380 0.000 0.659 405 V HN 0.636 nan 8.190 nan 0.000 0.451 406 H N -3.320 115.818 119.070 0.114 0.000 2.518 406 H HA -0.237 4.319 4.556 -0.000 0.000 0.292 406 H C 1.985 177.331 175.328 0.030 0.000 1.068 406 H CA 1.770 57.808 56.048 -0.016 0.000 1.275 406 H CB -0.587 29.060 29.762 -0.192 0.000 1.375 406 H HN 0.656 nan 8.280 nan 0.000 0.563 407 W N 0.431 121.524 121.300 -0.346 0.000 2.584 407 W HA -0.001 4.659 4.660 -0.000 0.000 0.264 407 W C 1.483 177.976 176.519 -0.045 0.000 1.264 407 W CA 0.186 57.387 57.345 -0.241 0.000 1.306 407 W CB 0.006 29.310 29.460 -0.260 0.000 1.110 407 W HN 0.139 nan 8.180 nan 0.000 0.606 408 Y N -0.930 119.566 120.300 0.326 0.000 2.230 408 Y HA -0.125 4.425 4.550 -0.000 0.000 0.294 408 Y C 2.297 178.347 175.900 0.250 0.000 1.120 408 Y CA 0.831 59.141 58.100 0.349 0.000 1.129 408 Y CB -1.207 37.547 38.460 0.490 0.000 1.040 408 Y HN -0.341 nan 8.280 nan 0.000 0.519 409 V N 0.088 120.215 119.914 0.354 0.000 2.794 409 V HA -0.271 3.849 4.120 -0.000 0.000 0.260 409 V C 2.342 178.525 176.094 0.148 0.000 1.103 409 V CA 1.714 64.132 62.300 0.196 0.000 1.125 409 V CB -1.694 30.201 31.823 0.120 0.000 0.702 409 V HN 0.567 nan 8.190 nan 0.000 0.494 410 G N 0.511 109.412 108.800 0.169 0.000 2.434 410 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.214 410 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.214 410 G C 1.143 176.127 174.900 0.140 0.000 1.202 410 G CA 0.404 45.586 45.100 0.136 0.000 0.788 410 G HN 0.560 nan 8.290 nan 0.000 0.539 411 E N 1.175 121.480 120.200 0.175 0.000 2.335 411 E HA 0.187 4.537 4.350 -0.000 0.000 0.191 411 E C 1.385 178.060 176.600 0.126 0.000 1.150 411 E CA 0.443 56.938 56.400 0.159 0.000 1.001 411 E CB -0.638 29.174 29.700 0.186 0.000 1.127 411 E HN 0.503 nan 8.360 nan 0.000 0.462 412 G N 1.670 110.527 108.800 0.094 0.000 2.212 412 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.255 412 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.255 412 G C 0.075 174.947 174.900 -0.046 0.000 1.062 412 G CA 0.668 45.780 45.100 0.021 0.000 0.815 412 G HN 0.341 nan 8.290 nan 0.000 0.497 413 M N -0.747 118.893 119.600 0.067 0.000 2.513 413 M HA 0.689 5.169 4.480 -0.000 0.000 0.291 413 M C 0.324 176.694 176.300 0.116 0.000 1.190 413 M CA -0.676 54.673 55.300 0.082 0.000 0.960 413 M CB 1.005 33.811 32.600 0.343 0.000 1.517 413 M HN 0.140 nan 8.290 nan 0.000 0.499 414 E N 0.738 121.020 120.200 0.137 0.000 2.174 414 E HA 0.086 4.436 4.350 -0.000 0.000 0.282 414 E C 0.277 176.979 176.600 0.169 0.000 0.992 414 E CA -0.095 56.377 56.400 0.120 0.000 0.803 414 E CB 1.016 30.771 29.700 0.092 0.000 1.090 414 E HN 0.593 nan 8.360 nan 0.000 0.396 415 E N 2.659 122.918 120.200 0.099 0.000 2.169 415 E HA -0.253 4.097 4.350 -0.000 0.000 0.202 415 E C 1.536 178.217 176.600 0.135 0.000 1.016 415 E CA 1.506 57.943 56.400 0.061 0.000 0.817 415 E CB -0.022 29.692 29.700 0.024 0.000 0.736 415 E HN 0.796 nan 8.360 nan 0.000 0.462 416 G N 0.603 109.472 108.800 0.114 0.000 2.509 416 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 416 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 416 G C 1.347 176.303 174.900 0.094 0.000 1.124 416 G CA 0.555 45.711 45.100 0.094 0.000 0.776 416 G HN 0.279 nan 8.290 nan 0.000 0.547 417 E N -0.504 119.783 120.200 0.145 0.000 2.072 417 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 417 E C 1.919 178.523 176.600 0.007 0.000 0.985 417 E CA 0.429 56.887 56.400 0.096 0.000 0.801 417 E CB -0.137 29.645 29.700 0.138 0.000 0.750 417 E HN 0.402 nan 8.360 nan 0.000 0.452 418 F N 0.892 120.731 119.950 -0.186 0.000 2.046 418 F HA -0.245 4.282 4.527 -0.000 0.000 0.297 418 F C 2.796 178.377 175.800 -0.365 0.000 1.123 418 F CA 1.319 59.125 58.000 -0.323 0.000 1.199 418 F CB -1.023 37.623 39.000 -0.590 0.000 0.972 418 F HN -0.013 nan 8.300 nan 0.000 0.474 419 S N -0.519 115.134 115.700 -0.080 0.000 2.380 419 S HA -0.336 4.134 4.470 -0.000 0.000 0.229 419 S C 2.113 176.616 174.600 -0.161 0.000 1.050 419 S CA 1.907 60.053 58.200 -0.090 0.000 1.100 419 S CB -0.526 62.683 63.200 0.014 0.000 0.984 419 S HN 0.469 nan 8.310 nan 0.000 0.434 420 E N 0.018 120.128 120.200 -0.151 0.000 2.153 420 E HA -0.135 4.215 4.350 -0.000 0.000 0.194 420 E C 1.982 178.253 176.600 -0.547 0.000 0.988 420 E CA 0.987 57.249 56.400 -0.231 0.000 0.811 420 E CB -0.158 29.477 29.700 -0.109 0.000 0.746 420 E HN 0.519 nan 8.360 nan 0.000 0.466 421 A N 0.516 122.978 122.820 -0.596 0.000 1.943 421 A HA -0.026 4.294 4.320 -0.000 0.000 0.213 421 A C 2.055 179.246 177.584 -0.656 0.000 1.181 421 A CA 0.736 52.254 52.037 -0.865 0.000 0.653 421 A CB -0.163 18.520 19.000 -0.527 0.000 0.833 421 A HN 0.023 nan 8.150 nan 0.000 0.451 422 R N 0.650 120.792 120.500 -0.596 0.000 2.073 422 R HA -0.078 4.262 4.340 -0.000 0.000 0.234 422 R C 1.829 177.881 176.300 -0.414 0.000 1.134 422 R CA 1.729 57.450 56.100 -0.632 0.000 0.952 422 R CB -0.633 29.293 30.300 -0.622 0.000 0.850 422 R HN 0.513 nan 8.270 nan 0.000 0.433 423 E N 0.533 120.534 120.200 -0.332 0.000 2.197 423 E HA -0.248 4.102 4.350 -0.000 0.000 0.205 423 E C 1.442 177.904 176.600 -0.231 0.000 1.029 423 E CA 1.718 57.977 56.400 -0.235 0.000 0.828 423 E CB -0.284 29.293 29.700 -0.204 0.000 0.737 423 E HN 0.406 nan 8.360 nan 0.000 0.464 424 D N -0.639 119.575 120.400 -0.309 0.000 2.194 424 D HA -0.048 4.592 4.640 -0.000 0.000 0.204 424 D C 1.842 178.005 176.300 -0.229 0.000 0.964 424 D CA 0.494 54.362 54.000 -0.221 0.000 0.846 424 D CB 0.129 40.838 40.800 -0.152 0.000 0.962 424 D HN 0.064 nan 8.370 nan 0.000 0.490 425 M N 0.204 119.625 119.600 -0.298 0.000 2.200 425 M HA 0.032 4.512 4.480 -0.000 0.000 0.265 425 M C 2.308 178.480 176.300 -0.214 0.000 1.066 425 M CA 0.584 55.698 55.300 -0.310 0.000 1.127 425 M CB -0.990 31.395 32.600 -0.359 0.000 1.379 425 M HN -0.025 nan 8.290 nan 0.000 0.420 426 A N 0.834 123.543 122.820 -0.185 0.000 1.892 426 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 426 A C 2.470 179.994 177.584 -0.099 0.000 1.188 426 A CA 2.533 54.500 52.037 -0.116 0.000 0.631 426 A CB -1.061 17.877 19.000 -0.104 0.000 0.822 426 A HN 0.471 nan 8.150 nan 0.000 0.447 427 A N -0.565 122.185 122.820 -0.117 0.000 1.865 427 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 427 A C 2.211 179.732 177.584 -0.105 0.000 1.191 427 A CA 1.919 53.896 52.037 -0.101 0.000 0.623 427 A CB -0.819 18.119 19.000 -0.102 0.000 0.826 427 A HN 0.785 nan 8.150 nan 0.000 0.444 428 L N -0.108 121.028 121.223 -0.145 0.000 1.970 428 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 428 L C 2.282 179.136 176.870 -0.027 0.000 1.071 428 L CA 2.619 57.370 54.840 -0.148 0.000 0.751 428 L CB -0.722 41.167 42.059 -0.283 0.000 0.889 428 L HN 0.543 nan 8.230 nan 0.000 0.432 429 E N -0.617 119.571 120.200 -0.020 0.000 2.233 429 E HA -0.314 4.036 4.350 -0.000 0.000 0.199 429 E C 2.080 178.723 176.600 0.072 0.000 1.004 429 E CA 1.541 57.984 56.400 0.071 0.000 0.819 429 E CB -0.114 29.603 29.700 0.028 0.000 0.738 429 E HN 0.489 nan 8.360 nan 0.000 0.478 430 K N 0.781 121.188 120.400 0.012 0.000 1.995 430 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 430 K C 1.664 178.261 176.600 -0.004 0.000 1.041 430 K CA 1.412 57.699 56.287 0.000 0.000 0.942 430 K CB -0.015 32.469 32.500 -0.027 0.000 0.731 430 K HN -0.062 nan 8.250 nan 0.000 0.439 431 D N 0.226 120.594 120.400 -0.054 0.000 2.192 431 D HA -0.252 4.388 4.640 -0.000 0.000 0.189 431 D C 1.941 178.188 176.300 -0.090 0.000 1.007 431 D CA 1.745 55.670 54.000 -0.124 0.000 0.859 431 D CB -0.599 40.075 40.800 -0.211 0.000 0.936 431 D HN 0.336 nan 8.370 nan 0.000 0.447 432 Y N 1.084 121.367 120.300 -0.028 0.000 2.070 432 Y HA -0.178 4.372 4.550 -0.000 0.000 0.280 432 Y C 2.728 178.629 175.900 0.001 0.000 1.148 432 Y CA 1.401 59.510 58.100 0.014 0.000 1.125 432 Y CB -0.008 38.493 38.460 0.068 0.000 0.975 432 Y HN -0.025 nan 8.280 nan 0.000 0.492 433 E N 0.381 120.689 120.200 0.179 0.000 2.153 433 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 433 E C 1.275 177.902 176.600 0.045 0.000 0.988 433 E CA 0.834 57.282 56.400 0.080 0.000 0.811 433 E CB -0.070 29.660 29.700 0.050 0.000 0.746 433 E HN 0.511 nan 8.360 nan 0.000 0.466 434 E N 0.225 120.443 120.200 0.031 0.000 2.382 434 E HA -0.038 4.312 4.350 -0.000 0.000 0.190 434 E C 0.835 177.445 176.600 0.017 0.000 1.125 434 E CA -0.177 56.227 56.400 0.007 0.000 0.929 434 E CB 0.438 30.124 29.700 -0.023 0.000 1.053 434 E HN 0.066 nan 8.360 nan 0.000 0.475 435 V N -0.645 119.298 119.914 0.047 0.000 3.645 435 V HA 0.123 4.243 4.120 -0.000 0.000 0.275 435 V C 1.068 177.208 176.094 0.077 0.000 1.356 435 V CA 0.401 62.766 62.300 0.109 0.000 1.051 435 V CB 1.009 32.906 31.823 0.124 0.000 0.828 435 V HN 0.209 nan 8.190 nan 0.000 0.441 436 G N 0.222 109.037 108.800 0.024 0.000 2.441 436 G HA2 0.518 4.478 3.960 -0.000 0.000 0.243 436 G HA3 0.518 4.478 3.960 -0.000 0.000 0.243 436 G C 0.082 174.977 174.900 -0.008 0.000 1.281 436 G CA 0.714 45.800 45.100 -0.024 0.000 0.854 436 G HN 1.165 nan 8.290 nan 0.000 0.560 437 V N 0.000 119.891 119.914 -0.039 0.000 2.409 437 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 437 V CA 0.000 62.292 62.300 -0.014 0.000 1.235 437 V CB 0.000 31.817 31.823 -0.011 0.000 1.184 437 V HN 0.000 nan 8.190 nan 0.000 0.556