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 1k1w_1_A DATA FIRST_RESID 4 DATA SEQUENCE INFIFGIHNH QPLGNFGWVF EEAYNRSYRP FXEILEEFPE XKVNVHFSGP DATA SEQUENCE LLEWIEENKP DYLDLLRSLI KRGQLEIVVA GFYEPVLAAI PKEDRLVQIE DATA SEQUENCE XLKDYARKLG YDAKGVWLTE RVWQPELVKS LREAGIEYVV VDDYHFXSAG DATA SEQUENCE LSKEELFWPY YTEDGGEVIT VFPIDEKLRY LIPFRPVKKT IEYLESLXXX DATA SEQUENCE XXSKVAVFHD DGEKFGVWPG TYXXXXXXXW LREFFDAITX XEKINLXTYS DATA SEQUENCE EYLSKFTPRG LVYLPIASYF EXSEWSLPAK QAKLFVEFVE QLKEEGKFEK DATA SEQUENCE YRVFVRGGIW KNFFFKYPES NFXHKRXLXV SKAVRDNPEA RKYILKAQCN DATA SEQUENCE DAYWHGVFGG IYLPHLRRTV WENIIKAQRY LKPENKILDV DFDGRAEIXV DATA SEQUENCE ENDGFIATIK PHYGGSIFEL SSKRKAVNYN DVLPRRWEHY HEVPEAXXXX DATA SEQUENCE XXXXXXXXXX HELGKQIPEE IRRELAYDWQ LRAILQDHFI KPEETLDNYR DATA SEQUENCE LVKYHELGDF VNQPYEYEXI ENGVKLWREG GVYAEEKIPA RVEKKIELTE DATA SEQUENCE DGFIAKYRVL LEKPYKALFG VEINLAVHSV XEKPEEFEAK EFEVNDPYGI DATA SEQUENCE GKVRIELDKA AKVWKFPIKT LSQSEAGWDF IQQGVSYTXL FPIEKELEFT DATA SEQUENCE VRFREL 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.131 176.117 0.023 0.000 1.063 4 I CA 0.000 61.285 61.300 -0.026 0.000 1.566 4 I CB 0.000 37.962 38.000 -0.064 0.000 1.214 5 N N 6.005 124.739 118.700 0.058 0.000 2.529 5 N HA 0.442 5.181 4.740 -0.001 0.000 0.278 5 N C -1.428 174.220 175.510 0.230 0.000 1.146 5 N CA 0.127 53.258 53.050 0.134 0.000 0.980 5 N CB 1.239 39.818 38.487 0.154 0.000 1.124 5 N HN 0.466 nan 8.380 nan 0.000 0.458 6 F N 2.499 122.473 119.950 0.040 0.000 2.539 6 F HA 0.535 5.061 4.527 -0.001 0.000 0.318 6 F C -1.021 174.800 175.800 0.035 0.000 1.135 6 F CA -0.972 57.058 58.000 0.050 0.000 0.915 6 F CB 0.840 39.864 39.000 0.041 0.000 1.176 6 F HN 0.284 nan 8.300 nan 0.000 0.440 7 I N 7.212 127.461 120.570 -0.536 0.000 2.382 7 I HA 0.298 4.467 4.170 -0.001 0.000 0.286 7 I C -1.366 174.254 176.117 -0.830 0.000 1.002 7 I CA -0.766 60.143 61.300 -0.652 0.000 1.135 7 I CB 1.551 39.142 38.000 -0.681 0.000 1.288 7 I HN 0.489 nan 8.210 nan 0.000 0.448 8 F N 5.670 125.129 119.950 -0.819 0.000 2.458 8 F HA 0.848 5.374 4.527 -0.001 0.000 0.336 8 F C 0.110 175.722 175.800 -0.313 0.000 1.114 8 F CA -0.320 57.419 58.000 -0.434 0.000 0.987 8 F CB 1.690 40.593 39.000 -0.161 0.000 1.130 8 F HN 0.406 nan 8.300 nan 0.000 0.458 9 G N 6.268 114.444 108.800 -1.038 0.000 2.720 9 G HA2 0.579 4.538 3.960 -0.001 0.000 0.295 9 G HA3 0.579 4.538 3.960 -0.001 0.000 0.295 9 G C -1.846 172.333 174.900 -1.202 0.000 1.437 9 G CA -0.821 43.590 45.100 -1.148 0.000 0.886 9 G HN 0.923 nan 8.290 nan 0.000 0.509 10 I N -1.552 118.553 120.570 -0.776 0.000 2.957 10 I HA 0.685 4.855 4.170 -0.001 0.000 0.310 10 I C -0.827 175.090 176.117 -0.334 0.000 1.063 10 I CA -1.184 59.791 61.300 -0.542 0.000 1.033 10 I CB 2.836 40.390 38.000 -0.743 0.000 1.230 10 I HN 0.620 nan 8.210 nan 0.000 0.447 11 H N 3.722 122.461 119.070 -0.552 0.000 2.887 11 H HA 0.437 4.993 4.556 -0.001 0.000 0.300 11 H C -1.564 173.411 175.328 -0.588 0.000 1.038 11 H CA -0.740 54.852 56.048 -0.759 0.000 1.352 11 H CB 0.960 29.799 29.762 -1.539 0.000 1.473 11 H HN 0.662 nan 8.280 nan 0.000 0.503 12 N N 3.701 121.845 118.700 -0.926 0.000 2.426 12 N HA 0.165 4.905 4.740 -0.001 0.000 0.275 12 N C -0.847 174.229 175.510 -0.723 0.000 1.019 12 N CA -0.228 52.316 53.050 -0.845 0.000 0.941 12 N CB 1.560 39.360 38.487 -1.146 0.000 1.123 12 N HN 0.740 nan 8.380 nan 0.000 0.486 13 H N 0.528 119.232 119.070 -0.609 0.000 3.064 13 H HA 0.427 4.983 4.556 -0.001 0.000 0.352 13 H C -1.806 173.359 175.328 -0.273 0.000 1.260 13 H CA -0.494 55.313 56.048 -0.402 0.000 1.160 13 H CB 1.306 30.880 29.762 -0.313 0.000 1.879 13 H HN 0.291 nan 8.280 nan 0.000 0.544 14 Q N 3.720 122.920 119.800 -1.000 0.000 2.268 14 Q HA 0.371 4.710 4.340 -0.001 0.000 0.266 14 Q C -2.897 172.546 176.000 -0.929 0.000 1.006 14 Q CA -2.210 52.982 55.803 -1.018 0.000 0.824 14 Q CB 2.813 30.770 28.738 -1.301 0.000 1.306 14 Q HN 0.500 nan 8.270 nan 0.000 0.424 15 P HA -0.018 nan 4.420 nan 0.000 0.269 15 P C -0.343 176.988 177.300 0.051 0.000 1.209 15 P CA -0.125 62.875 63.100 -0.167 0.000 0.776 15 P CB 0.803 32.437 31.700 -0.111 0.000 0.876 16 L N 2.306 123.643 121.223 0.189 0.000 2.513 16 L HA 0.105 4.444 4.340 -0.001 0.000 0.272 16 L C 1.655 178.589 176.870 0.108 0.000 1.187 16 L CA 1.543 56.509 54.840 0.210 0.000 0.895 16 L CB -0.580 41.613 42.059 0.222 0.000 1.147 16 L HN 0.898 nan 8.230 nan 0.000 0.483 17 G N 2.451 111.323 108.800 0.120 0.000 2.201 17 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.212 17 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.212 17 G C 0.393 175.316 174.900 0.039 0.000 0.994 17 G CA -0.308 44.827 45.100 0.058 0.000 0.644 17 G HN 0.580 nan 8.290 nan 0.000 0.508 18 N N 0.298 119.044 118.700 0.077 0.000 2.416 18 N HA 0.385 5.124 4.740 -0.001 0.000 0.246 18 N C 0.447 175.897 175.510 -0.100 0.000 1.260 18 N CA -0.105 52.909 53.050 -0.060 0.000 0.897 18 N CB -0.086 38.345 38.487 -0.093 0.000 1.110 18 N HN 0.175 nan 8.380 nan 0.000 0.439 19 F N 0.174 120.032 119.950 -0.153 0.000 2.572 19 F HA 0.086 4.612 4.527 -0.001 0.000 0.370 19 F C 2.022 177.715 175.800 -0.178 0.000 1.103 19 F CA -0.250 57.587 58.000 -0.273 0.000 1.286 19 F CB 0.400 39.023 39.000 -0.628 0.000 1.105 19 F HN 0.581 nan 8.300 nan 0.000 0.583 20 G N 4.119 113.021 108.800 0.170 0.000 2.469 20 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.219 20 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.219 20 G C 1.389 176.405 174.900 0.193 0.000 1.150 20 G CA 0.792 45.995 45.100 0.171 0.000 0.763 20 G HN 0.965 nan 8.290 nan 0.000 0.561 21 W N 0.786 122.184 121.300 0.165 0.000 2.374 21 W HA -0.006 4.653 4.660 -0.001 0.000 0.288 21 W C 1.659 178.209 176.519 0.051 0.000 1.218 21 W CA 0.973 58.376 57.345 0.096 0.000 1.245 21 W CB -1.117 28.363 29.460 0.033 0.000 1.126 21 W HN 0.108 nan 8.180 nan 0.000 0.545 22 V N 1.453 120.908 119.914 -0.764 0.000 2.343 22 V HA -0.307 3.812 4.120 -0.001 0.000 0.247 22 V C 2.356 178.178 176.094 -0.454 0.000 1.051 22 V CA 2.079 63.886 62.300 -0.822 0.000 1.036 22 V CB -1.209 30.062 31.823 -0.920 0.000 0.654 22 V HN -0.051 nan 8.190 nan 0.000 0.451 23 F N 0.650 120.251 119.950 -0.582 0.000 2.046 23 F HA -0.203 4.324 4.527 -0.001 0.000 0.297 23 F C 2.580 177.898 175.800 -0.803 0.000 1.123 23 F CA 2.257 59.739 58.000 -0.864 0.000 1.199 23 F CB -0.521 37.550 39.000 -1.548 0.000 0.972 23 F HN 0.149 nan 8.300 nan 0.000 0.474 24 E N 0.142 120.187 120.200 -0.259 0.000 2.097 24 E HA -0.302 4.048 4.350 -0.001 0.000 0.196 24 E C 2.205 178.860 176.600 0.092 0.000 1.000 24 E CA 1.581 58.042 56.400 0.101 0.000 0.804 24 E CB -0.202 29.703 29.700 0.341 0.000 0.740 24 E HN 0.534 nan 8.360 nan 0.000 0.454 25 E N -0.063 120.148 120.200 0.018 0.000 2.012 25 E HA -0.268 4.081 4.350 -0.001 0.000 0.197 25 E C 2.027 178.516 176.600 -0.186 0.000 1.007 25 E CA 1.290 57.679 56.400 -0.018 0.000 0.816 25 E CB -0.287 29.427 29.700 0.023 0.000 0.762 25 E HN 0.329 nan 8.360 nan 0.000 0.451 26 A N 0.258 122.868 122.820 -0.350 0.000 1.958 26 A HA -0.265 4.054 4.320 -0.001 0.000 0.221 26 A C 2.087 179.165 177.584 -0.842 0.000 1.178 26 A CA 1.965 53.602 52.037 -0.667 0.000 0.642 26 A CB -1.138 17.383 19.000 -0.799 0.000 0.816 26 A HN 0.644 nan 8.150 nan 0.000 0.453 27 Y N 1.261 121.256 120.300 -0.508 0.000 2.070 27 Y HA -0.241 4.309 4.550 -0.001 0.000 0.279 27 Y C 2.373 178.189 175.900 -0.140 0.000 1.134 27 Y CA 2.331 60.332 58.100 -0.164 0.000 1.113 27 Y CB -0.363 38.183 38.460 0.143 0.000 0.981 27 Y HN 0.346 nan 8.280 nan 0.000 0.487 28 N N 0.072 118.761 118.700 -0.018 0.000 2.166 28 N HA -0.152 4.587 4.740 -0.001 0.000 0.186 28 N C 1.799 177.147 175.510 -0.270 0.000 1.019 28 N CA 1.136 54.134 53.050 -0.086 0.000 0.856 28 N CB -0.247 38.281 38.487 0.068 0.000 0.993 28 N HN 0.323 nan 8.380 nan 0.000 0.426 29 R N 0.544 120.839 120.500 -0.341 0.000 2.115 29 R HA 0.022 4.362 4.340 -0.001 0.000 0.226 29 R C 1.856 177.887 176.300 -0.449 0.000 1.100 29 R CA 1.167 56.969 56.100 -0.496 0.000 0.980 29 R CB -0.220 29.856 30.300 -0.375 0.000 0.875 29 R HN 0.445 nan 8.270 nan 0.000 0.445 30 S N -2.700 112.770 115.700 -0.385 0.000 3.102 30 S HA 0.090 4.559 4.470 -0.001 0.000 0.265 30 S C 1.883 176.450 174.600 -0.056 0.000 1.072 30 S CA -0.472 57.616 58.200 -0.186 0.000 0.946 30 S CB -0.420 62.684 63.200 -0.159 0.000 0.901 30 S HN 0.217 nan 8.310 nan 0.000 0.437 31 Y N 2.278 122.461 120.300 -0.195 0.000 2.081 31 Y HA -0.151 4.399 4.550 -0.001 0.000 0.280 31 Y C 3.032 178.823 175.900 -0.181 0.000 1.163 31 Y CA 1.634 59.617 58.100 -0.195 0.000 1.135 31 Y CB -0.219 38.076 38.460 -0.274 0.000 0.970 31 Y HN 0.237 nan 8.280 nan 0.000 0.498 32 R N 0.313 120.581 120.500 -0.387 0.000 2.056 32 R HA -0.107 4.232 4.340 -0.001 0.000 0.227 32 R C -0.647 175.698 176.300 0.075 0.000 1.149 32 R CA 1.559 57.501 56.100 -0.264 0.000 0.937 32 R CB -1.330 28.607 30.300 -0.605 0.000 0.835 32 R HN 0.170 nan 8.270 nan 0.000 0.430 33 P HA -0.235 nan 4.420 nan 0.000 0.215 33 P C 0.877 178.308 177.300 0.219 0.000 1.163 33 P CA 1.156 64.330 63.100 0.123 0.000 0.894 33 P CB -0.343 31.405 31.700 0.079 0.000 0.791 37 I N 1.908 122.595 120.570 0.195 0.000 2.493 37 I HA -0.168 4.001 4.170 -0.001 0.000 0.254 37 I C 2.405 178.782 176.117 0.433 0.000 1.160 37 I CA 0.746 62.193 61.300 0.246 0.000 1.445 37 I CB 0.074 38.111 38.000 0.061 0.000 1.086 37 I HN 0.104 nan 8.210 nan 0.000 0.433 38 L N 0.845 122.274 121.223 0.342 0.000 2.109 38 L HA -0.163 4.176 4.340 -0.001 0.000 0.207 38 L C 2.345 179.357 176.870 0.237 0.000 1.086 38 L CA 1.783 56.811 54.840 0.313 0.000 0.760 38 L CB -0.612 41.557 42.059 0.184 0.000 0.910 38 L HN 0.206 nan 8.230 nan 0.000 0.437 39 E N 0.118 120.443 120.200 0.209 0.000 2.204 39 E HA -0.262 4.087 4.350 -0.001 0.000 0.195 39 E C 1.491 178.163 176.600 0.119 0.000 0.990 39 E CA 1.286 57.770 56.400 0.141 0.000 0.821 39 E CB -0.079 29.692 29.700 0.119 0.000 0.750 39 E HN 0.820 nan 8.360 nan 0.000 0.477 40 E N -0.768 119.532 120.200 0.167 0.000 2.445 40 E HA -0.027 4.322 4.350 -0.001 0.000 0.189 40 E C -0.534 175.916 176.600 -0.250 0.000 1.069 40 E CA -0.138 56.247 56.400 -0.024 0.000 0.871 40 E CB 0.066 29.715 29.700 -0.086 0.000 0.991 40 E HN 0.153 nan 8.360 nan 0.000 0.481 41 F N 0.378 120.334 119.950 0.010 0.000 2.710 41 F HA 0.346 4.873 4.527 -0.001 0.000 0.345 41 F C -2.085 173.659 175.800 -0.094 0.000 1.362 41 F CA -2.581 55.395 58.000 -0.041 0.000 1.175 41 F CB 1.783 40.752 39.000 -0.053 0.000 1.561 41 F HN -0.108 nan 8.300 nan 0.000 0.593 42 P HA -0.175 nan 4.420 nan 0.000 0.222 42 P C 0.070 177.371 177.300 0.002 0.000 1.139 42 P CA 1.521 64.630 63.100 0.015 0.000 0.790 42 P CB 0.276 31.974 31.700 -0.003 0.000 0.757 46 V N 2.078 122.035 119.914 0.072 0.000 2.555 46 V HA 0.352 4.471 4.120 -0.001 0.000 0.302 46 V C -0.214 175.884 176.094 0.007 0.000 1.038 46 V CA -0.978 61.419 62.300 0.162 0.000 0.887 46 V CB 1.837 33.866 31.823 0.343 0.000 0.991 46 V HN 0.648 nan 8.190 nan 0.000 0.434 47 N N 2.858 121.484 118.700 -0.123 0.000 2.527 47 N HA 0.376 5.115 4.740 -0.001 0.000 0.236 47 N C -0.921 174.527 175.510 -0.103 0.000 0.999 47 N CA 0.014 53.006 53.050 -0.097 0.000 0.935 47 N CB 2.196 40.595 38.487 -0.147 0.000 1.132 47 N HN 0.446 nan 8.380 nan 0.000 0.511 48 V N 2.649 122.540 119.914 -0.039 0.000 2.667 48 V HA 0.361 4.480 4.120 -0.001 0.000 0.308 48 V C -1.010 175.094 176.094 0.016 0.000 1.048 48 V CA -0.572 61.667 62.300 -0.101 0.000 0.928 48 V CB 1.833 33.555 31.823 -0.169 0.000 1.004 48 V HN 0.743 nan 8.190 nan 0.000 0.444 49 H N 5.217 124.172 119.070 -0.193 0.000 2.823 49 H HA 0.577 5.132 4.556 -0.001 0.000 0.332 49 H C -1.821 173.346 175.328 -0.268 0.000 0.980 49 H CA -0.793 55.182 56.048 -0.120 0.000 1.286 49 H CB 1.089 30.792 29.762 -0.099 0.000 1.541 49 H HN 0.493 nan 8.280 nan 0.000 0.521 50 F N 2.994 122.565 119.950 -0.631 0.000 2.443 50 F HA 0.341 4.867 4.527 -0.001 0.000 0.335 50 F C 0.768 176.082 175.800 -0.811 0.000 1.104 50 F CA -0.526 57.072 58.000 -0.669 0.000 1.013 50 F CB 1.741 40.509 39.000 -0.386 0.000 1.136 50 F HN 0.635 nan 8.300 nan 0.000 0.470 51 S N 1.404 116.807 115.700 -0.495 0.000 2.603 51 S HA 0.367 4.836 4.470 -0.001 0.000 0.268 51 S C 1.242 175.587 174.600 -0.426 0.000 1.317 51 S CA -0.241 57.754 58.200 -0.343 0.000 1.012 51 S CB 1.346 64.525 63.200 -0.034 0.000 0.926 51 S HN 0.850 nan 8.310 nan 0.000 0.539 52 G N 1.510 109.847 108.800 -0.771 0.000 2.421 52 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.216 52 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.216 52 G C -1.047 173.500 174.900 -0.588 0.000 1.171 52 G CA 0.690 44.889 45.100 -1.502 0.000 0.775 52 G HN 0.671 nan 8.290 nan 0.000 0.543 53 P HA -0.064 nan 4.420 nan 0.000 0.216 53 P C 2.016 179.487 177.300 0.285 0.000 1.150 53 P CA 0.517 63.737 63.100 0.199 0.000 0.837 53 P CB -0.043 31.867 31.700 0.349 0.000 0.786 54 L N -1.165 120.177 121.223 0.199 0.000 2.044 54 L HA -0.108 4.231 4.340 -0.001 0.000 0.205 54 L C 2.211 179.210 176.870 0.216 0.000 1.075 54 L CA 1.423 56.431 54.840 0.279 0.000 0.747 54 L CB -0.675 41.399 42.059 0.025 0.000 0.903 54 L HN -0.058 nan 8.230 nan 0.000 0.435 55 L N -0.290 120.902 121.223 -0.051 0.000 2.079 55 L HA -0.252 4.088 4.340 -0.001 0.000 0.210 55 L C 2.475 179.333 176.870 -0.020 0.000 1.081 55 L CA 1.345 56.072 54.840 -0.187 0.000 0.752 55 L CB -0.395 41.259 42.059 -0.675 0.000 0.896 55 L HN 0.346 nan 8.230 nan 0.000 0.433 56 E N -1.080 119.151 120.200 0.053 0.000 2.106 56 E HA -0.259 4.091 4.350 -0.001 0.000 0.192 56 E C 1.885 178.568 176.600 0.138 0.000 0.984 56 E CA 1.326 57.825 56.400 0.165 0.000 0.806 56 E CB -0.150 29.687 29.700 0.229 0.000 0.750 56 E HN 0.533 nan 8.360 nan 0.000 0.458 57 W N 1.405 122.705 121.300 0.000 0.000 2.379 57 W HA -0.110 4.549 4.660 -0.001 0.000 0.307 57 W C 1.776 178.279 176.519 -0.027 0.000 1.200 57 W CA 1.176 58.473 57.345 -0.080 0.000 1.297 57 W CB -0.181 29.184 29.460 -0.159 0.000 1.140 57 W HN -0.084 nan 8.180 nan 0.000 0.507 58 I N 0.589 121.297 120.570 0.229 0.000 2.142 58 I HA -0.333 3.836 4.170 -0.001 0.000 0.240 58 I C 2.542 178.589 176.117 -0.117 0.000 1.078 58 I CA 2.124 63.441 61.300 0.029 0.000 1.343 58 I CB -0.772 37.378 38.000 0.251 0.000 1.046 58 I HN 0.088 nan 8.210 nan 0.000 0.405 59 E N 0.647 120.851 120.200 0.006 0.000 2.130 59 E HA -0.322 4.027 4.350 -0.001 0.000 0.196 59 E C 1.945 178.492 176.600 -0.088 0.000 0.998 59 E CA 1.728 58.142 56.400 0.023 0.000 0.806 59 E CB 0.115 29.904 29.700 0.148 0.000 0.738 59 E HN 0.375 nan 8.360 nan 0.000 0.459 60 E N 0.666 120.754 120.200 -0.186 0.000 2.014 60 E HA -0.092 4.258 4.350 -0.001 0.000 0.190 60 E C 1.660 178.038 176.600 -0.369 0.000 0.980 60 E CA 1.683 57.934 56.400 -0.249 0.000 0.807 60 E CB -0.124 29.415 29.700 -0.268 0.000 0.770 60 E HN 0.223 nan 8.360 nan 0.000 0.451 61 N N -0.251 118.035 118.700 -0.691 0.000 2.416 61 N HA -0.046 4.693 4.740 -0.001 0.000 0.177 61 N C 0.125 175.291 175.510 -0.574 0.000 1.036 61 N CA 0.572 53.183 53.050 -0.731 0.000 0.901 61 N CB 0.365 38.105 38.487 -1.244 0.000 0.976 61 N HN -0.082 nan 8.380 nan 0.000 0.444 62 K N 0.200 120.285 120.400 -0.525 0.000 3.157 62 K HA 0.319 4.638 4.320 -0.001 0.000 0.173 62 K C -2.232 174.331 176.600 -0.062 0.000 1.127 62 K CA -1.813 54.292 56.287 -0.303 0.000 0.849 62 K CB 1.270 33.443 32.500 -0.545 0.000 1.038 62 K HN -0.221 nan 8.250 nan 0.000 0.603 63 P HA -0.194 nan 4.420 nan 0.000 0.216 63 P C 0.315 177.658 177.300 0.071 0.000 1.153 63 P CA 1.353 64.461 63.100 0.013 0.000 0.858 63 P CB 0.265 31.957 31.700 -0.014 0.000 0.789 64 D N -1.685 118.768 120.400 0.088 0.000 2.190 64 D HA -0.234 4.406 4.640 -0.001 0.000 0.200 64 D C 1.873 178.278 176.300 0.175 0.000 0.992 64 D CA 1.164 55.234 54.000 0.117 0.000 0.854 64 D CB -0.963 39.914 40.800 0.129 0.000 0.936 64 D HN 0.276 nan 8.370 nan 0.000 0.462 65 Y N 1.700 122.075 120.300 0.125 0.000 2.181 65 Y HA -0.109 4.441 4.550 -0.001 0.000 0.288 65 Y C 2.298 178.253 175.900 0.091 0.000 1.146 65 Y CA 0.946 59.154 58.100 0.180 0.000 1.164 65 Y CB -0.395 38.264 38.460 0.332 0.000 0.982 65 Y HN -0.121 nan 8.280 nan 0.000 0.515 66 L N -0.242 121.009 121.223 0.047 0.000 2.265 66 L HA -0.212 4.127 4.340 -0.001 0.000 0.215 66 L C 1.769 178.593 176.870 -0.077 0.000 1.117 66 L CA 1.266 56.069 54.840 -0.061 0.000 0.782 66 L CB -0.463 41.613 42.059 0.029 0.000 0.914 66 L HN 0.220 nan 8.230 nan 0.000 0.441 67 D N -0.200 120.181 120.400 -0.032 0.000 2.194 67 D HA -0.108 4.531 4.640 -0.001 0.000 0.204 67 D C 2.072 178.349 176.300 -0.038 0.000 0.964 67 D CA 0.713 54.702 54.000 -0.018 0.000 0.846 67 D CB 0.186 40.993 40.800 0.013 0.000 0.962 67 D HN 0.170 nan 8.370 nan 0.000 0.490 68 L N 0.882 122.060 121.223 -0.074 0.000 2.141 68 L HA -0.065 4.275 4.340 -0.001 0.000 0.209 68 L C 2.024 178.829 176.870 -0.108 0.000 1.094 68 L CA 1.240 56.036 54.840 -0.073 0.000 0.763 68 L CB -0.499 41.510 42.059 -0.083 0.000 0.908 68 L HN -0.026 nan 8.230 nan 0.000 0.437 69 L N -1.003 120.098 121.223 -0.203 0.000 2.023 69 L HA -0.149 4.190 4.340 -0.001 0.000 0.205 69 L C 2.747 179.595 176.870 -0.037 0.000 1.073 69 L CA 1.161 55.915 54.840 -0.143 0.000 0.745 69 L CB -0.589 41.332 42.059 -0.231 0.000 0.900 69 L HN 0.192 nan 8.230 nan 0.000 0.435 70 R N -0.394 120.088 120.500 -0.029 0.000 2.117 70 R HA -0.189 4.151 4.340 -0.001 0.000 0.243 70 R C 2.573 178.888 176.300 0.026 0.000 1.143 70 R CA 1.636 57.745 56.100 0.014 0.000 0.968 70 R CB -0.502 29.803 30.300 0.009 0.000 0.863 70 R HN 0.317 nan 8.270 nan 0.000 0.444 71 S N 1.026 116.734 115.700 0.013 0.000 2.343 71 S HA -0.100 4.369 4.470 -0.001 0.000 0.219 71 S C 2.012 176.635 174.600 0.038 0.000 1.033 71 S CA 1.057 59.271 58.200 0.024 0.000 1.014 71 S CB -0.167 63.045 63.200 0.020 0.000 0.915 71 S HN 0.231 nan 8.310 nan 0.000 0.435 72 L N 0.917 122.163 121.223 0.039 0.000 2.083 72 L HA -0.077 4.263 4.340 -0.001 0.000 0.209 72 L C 2.453 179.368 176.870 0.074 0.000 1.083 72 L CA 1.166 56.040 54.840 0.056 0.000 0.752 72 L CB -0.580 41.518 42.059 0.066 0.000 0.899 72 L HN 0.384 nan 8.230 nan 0.000 0.433 73 I N -0.021 120.599 120.570 0.084 0.000 2.179 73 I HA -0.305 3.865 4.170 -0.001 0.000 0.242 73 I C 2.666 178.858 176.117 0.126 0.000 1.088 73 I CA 1.376 62.759 61.300 0.137 0.000 1.357 73 I CB -0.292 37.809 38.000 0.169 0.000 1.051 73 I HN 0.216 nan 8.210 nan 0.000 0.409 74 K N 1.675 122.127 120.400 0.087 0.000 2.209 74 K HA -0.153 4.166 4.320 -0.001 0.000 0.204 74 K C 1.609 178.243 176.600 0.056 0.000 1.048 74 K CA 1.082 57.408 56.287 0.065 0.000 0.940 74 K CB 0.034 32.561 32.500 0.045 0.000 0.729 74 K HN 0.365 nan 8.250 nan 0.000 0.451 75 R N -0.827 119.706 120.500 0.056 0.000 2.694 75 R HA 0.197 4.536 4.340 -0.001 0.000 0.334 75 R C 0.394 176.726 176.300 0.052 0.000 1.143 75 R CA 0.367 56.494 56.100 0.045 0.000 1.073 75 R CB -0.033 30.289 30.300 0.036 0.000 1.366 75 R HN 0.138 nan 8.270 nan 0.000 0.577 76 G N 1.488 110.332 108.800 0.073 0.000 2.321 76 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.287 76 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.287 76 G C 0.451 175.393 174.900 0.070 0.000 1.018 76 G CA 0.754 45.905 45.100 0.085 0.000 0.855 76 G HN 0.606 nan 8.290 nan 0.000 0.507 77 Q N -1.551 118.288 119.800 0.065 0.000 2.352 77 Q HA 0.443 4.782 4.340 -0.001 0.000 0.212 77 Q C 0.892 176.925 176.000 0.055 0.000 0.888 77 Q CA 0.372 56.201 55.803 0.043 0.000 0.934 77 Q CB 0.666 29.425 28.738 0.036 0.000 1.093 77 Q HN 0.601 nan 8.270 nan 0.000 0.523 78 L N 0.395 121.661 121.223 0.071 0.000 2.409 78 L HA 0.460 4.799 4.340 -0.001 0.000 0.262 78 L C -0.918 175.931 176.870 -0.034 0.000 0.992 78 L CA -0.744 54.118 54.840 0.038 0.000 0.817 78 L CB 2.535 44.627 42.059 0.055 0.000 1.350 78 L HN -0.059 nan 8.230 nan 0.000 0.411 79 E N 3.127 123.225 120.200 -0.171 0.000 2.191 79 E HA 0.394 4.744 4.350 -0.001 0.000 0.263 79 E C -1.176 175.094 176.600 -0.550 0.000 0.881 79 E CA -0.732 55.323 56.400 -0.575 0.000 0.757 79 E CB 1.412 31.040 29.700 -0.120 0.000 1.147 79 E HN 0.347 nan 8.360 nan 0.000 0.414 80 I N 4.867 124.873 120.570 -0.940 0.000 2.452 80 I HA 0.121 4.290 4.170 -0.001 0.000 0.287 80 I C -0.028 176.038 176.117 -0.085 0.000 1.079 80 I CA -0.403 60.729 61.300 -0.281 0.000 1.387 80 I CB 0.735 38.679 38.000 -0.093 0.000 1.404 80 I HN 0.405 nan 8.210 nan 0.000 0.522 81 V N 7.836 127.798 119.914 0.081 0.000 2.481 81 V HA 0.434 4.553 4.120 -0.001 0.000 0.286 81 V C 0.451 176.639 176.094 0.156 0.000 1.042 81 V CA -0.527 61.846 62.300 0.121 0.000 0.928 81 V CB 2.285 34.234 31.823 0.211 0.000 0.986 81 V HN 0.524 nan 8.190 nan 0.000 0.462 82 V N 3.288 123.225 119.914 0.038 0.000 3.284 82 V HA 1.068 5.187 4.120 -0.001 0.000 0.309 82 V C 0.324 176.339 176.094 -0.131 0.000 1.190 82 V CA 0.393 62.727 62.300 0.056 0.000 1.038 82 V CB 2.136 34.005 31.823 0.076 0.000 1.198 82 V HN 1.252 nan 8.190 nan 0.000 0.465 83 A N -0.145 122.645 122.820 -0.049 0.000 2.696 83 A HA 0.631 4.951 4.320 -0.001 0.000 0.296 83 A C -0.111 177.487 177.584 0.024 0.000 1.043 83 A CA -0.048 51.938 52.037 -0.086 0.000 0.574 83 A CB 0.013 18.884 19.000 -0.213 0.000 1.509 83 A HN 1.630 nan 8.150 nan 0.000 0.670 84 G N -0.565 108.251 108.800 0.027 0.000 2.343 84 G HA2 0.408 4.368 3.960 -0.001 0.000 0.254 84 G HA3 0.408 4.368 3.960 -0.001 0.000 0.254 84 G C 0.525 175.497 174.900 0.121 0.000 1.277 84 G CA 0.542 45.696 45.100 0.090 0.000 0.909 84 G HN 1.120 nan 8.290 nan 0.000 0.502 85 F N 2.668 122.610 119.950 -0.013 0.000 2.063 85 F HA -0.235 4.291 4.527 -0.001 0.000 0.298 85 F C 1.682 177.342 175.800 -0.233 0.000 1.105 85 F CA 1.738 59.639 58.000 -0.167 0.000 1.215 85 F CB -0.045 38.758 39.000 -0.330 0.000 0.972 85 F HN 0.557 nan 8.300 nan 0.000 0.483 86 Y N 0.742 121.195 120.300 0.254 0.000 2.596 86 Y HA 0.165 4.714 4.550 -0.001 0.000 0.316 86 Y C 0.451 176.418 175.900 0.113 0.000 1.156 86 Y CA -0.275 57.935 58.100 0.184 0.000 1.300 86 Y CB -0.732 37.881 38.460 0.255 0.000 1.130 86 Y HN -0.017 nan 8.280 nan 0.000 0.518 87 E N 0.181 120.445 120.200 0.106 0.000 2.252 87 E HA -0.209 4.141 4.350 -0.001 0.000 0.218 87 E C -2.704 173.960 176.600 0.107 0.000 1.253 87 E CA 0.239 56.649 56.400 0.017 0.000 0.705 87 E CB -0.993 28.537 29.700 -0.283 0.000 1.172 87 E HN 0.369 nan 8.360 nan 0.000 0.369 88 P HA 0.236 nan 4.420 nan 0.000 0.283 88 P C 0.084 177.357 177.300 -0.044 0.000 1.278 88 P CA -0.636 62.516 63.100 0.086 0.000 0.834 88 P CB 1.161 32.922 31.700 0.102 0.000 1.150 89 V N 3.313 123.135 119.914 -0.154 0.000 2.356 89 V HA -0.038 4.082 4.120 -0.001 0.000 0.258 89 V C 2.004 177.953 176.094 -0.242 0.000 1.065 89 V CA 0.040 62.111 62.300 -0.382 0.000 0.935 89 V CB -0.170 31.102 31.823 -0.919 0.000 1.061 89 V HN 0.465 nan 8.190 nan 0.000 0.484 90 L N 5.429 126.536 121.223 -0.193 0.000 2.064 90 L HA -0.247 4.092 4.340 -0.001 0.000 0.216 90 L C 2.438 179.223 176.870 -0.140 0.000 1.077 90 L CA 2.650 57.407 54.840 -0.139 0.000 0.766 90 L CB -0.736 41.234 42.059 -0.149 0.000 0.890 90 L HN 0.735 nan 8.230 nan 0.000 0.435 91 A N -1.775 120.930 122.820 -0.192 0.000 2.168 91 A HA 0.186 4.505 4.320 -0.001 0.000 0.215 91 A C 2.085 179.653 177.584 -0.026 0.000 1.152 91 A CA 1.154 53.104 52.037 -0.144 0.000 0.716 91 A CB -0.568 18.321 19.000 -0.185 0.000 0.794 91 A HN 0.372 nan 8.150 nan 0.000 0.465 92 A N -0.348 122.473 122.820 0.001 0.000 2.387 92 A HA 0.539 4.858 4.320 -0.001 0.000 0.234 92 A C 0.635 178.348 177.584 0.216 0.000 1.253 92 A CA -0.005 52.150 52.037 0.197 0.000 0.894 92 A CB -0.473 18.720 19.000 0.323 0.000 0.963 92 A HN 0.759 nan 8.150 nan 0.000 0.508 93 I N -3.933 116.683 120.570 0.076 0.000 2.740 93 I HA 0.635 4.804 4.170 -0.001 0.000 0.303 93 I C -3.097 173.028 176.117 0.013 0.000 1.044 93 I CA -3.054 58.271 61.300 0.041 0.000 1.064 93 I CB 1.658 39.673 38.000 0.025 0.000 1.249 93 I HN -0.229 nan 8.210 nan 0.000 0.433 94 P HA -0.036 nan 4.420 nan 0.000 0.264 94 P C 0.392 177.685 177.300 -0.011 0.000 1.179 94 P CA -0.140 62.953 63.100 -0.011 0.000 0.763 94 P CB 0.483 32.172 31.700 -0.019 0.000 0.806 95 K N 3.425 123.815 120.400 -0.016 0.000 2.089 95 K HA -0.235 4.084 4.320 -0.001 0.000 0.210 95 K C 1.343 177.936 176.600 -0.013 0.000 1.048 95 K CA 2.035 58.309 56.287 -0.022 0.000 0.926 95 K CB -0.284 32.201 32.500 -0.024 0.000 0.714 95 K HN 0.504 nan 8.250 nan 0.000 0.448 96 E N -0.082 120.113 120.200 -0.008 0.000 2.204 96 E HA -0.138 4.212 4.350 -0.001 0.000 0.194 96 E C 1.426 178.029 176.600 0.006 0.000 0.989 96 E CA 0.890 57.289 56.400 -0.002 0.000 0.824 96 E CB 0.038 29.737 29.700 -0.002 0.000 0.756 96 E HN 0.305 nan 8.360 nan 0.000 0.477 97 D N 0.247 120.652 120.400 0.008 0.000 2.234 97 D HA -0.039 4.601 4.640 -0.001 0.000 0.205 97 D C 1.817 178.138 176.300 0.034 0.000 0.962 97 D CA 0.567 54.582 54.000 0.025 0.000 0.855 97 D CB 0.052 40.867 40.800 0.024 0.000 0.951 97 D HN 0.084 nan 8.370 nan 0.000 0.500 98 R N 0.323 120.833 120.500 0.016 0.000 2.070 98 R HA -0.044 4.296 4.340 -0.001 0.000 0.232 98 R C 2.496 178.808 176.300 0.021 0.000 1.138 98 R CA 0.748 56.855 56.100 0.012 0.000 0.936 98 R CB -0.582 29.708 30.300 -0.017 0.000 0.839 98 R HN 0.176 nan 8.270 nan 0.000 0.429 99 L N 0.608 121.838 121.223 0.012 0.000 2.010 99 L HA -0.280 4.060 4.340 -0.001 0.000 0.219 99 L C 2.503 179.390 176.870 0.028 0.000 1.077 99 L CA 1.553 56.401 54.840 0.015 0.000 0.773 99 L CB -0.806 41.258 42.059 0.009 0.000 0.892 99 L HN 0.099 nan 8.230 nan 0.000 0.436 100 V N -1.021 118.912 119.914 0.033 0.000 2.261 100 V HA -0.267 3.853 4.120 -0.001 0.000 0.246 100 V C 2.553 178.687 176.094 0.066 0.000 1.047 100 V CA 1.587 63.911 62.300 0.039 0.000 1.015 100 V CB -0.682 31.164 31.823 0.038 0.000 0.642 100 V HN 0.456 nan 8.190 nan 0.000 0.446 101 Q N -0.206 119.651 119.800 0.096 0.000 2.045 101 Q HA -0.217 4.123 4.340 -0.001 0.000 0.206 101 Q C 2.307 178.393 176.000 0.144 0.000 0.991 101 Q CA 2.261 58.157 55.803 0.154 0.000 0.851 101 Q CB -0.492 28.339 28.738 0.155 0.000 0.911 101 Q HN 0.622 nan 8.270 nan 0.000 0.418 102 I N 0.488 121.113 120.570 0.090 0.000 2.142 102 I HA -0.222 3.947 4.170 -0.001 0.000 0.240 102 I C 1.540 177.714 176.117 0.095 0.000 1.078 102 I CA 0.467 61.814 61.300 0.077 0.000 1.343 102 I CB -0.358 37.661 38.000 0.031 0.000 1.046 102 I HN 0.193 nan 8.210 nan 0.000 0.405 106 K N 0.289 120.811 120.400 0.203 0.000 2.147 106 K HA -0.171 4.149 4.320 -0.001 0.000 0.205 106 K C 1.677 178.372 176.600 0.159 0.000 1.049 106 K CA 2.038 58.419 56.287 0.157 0.000 0.936 106 K CB -0.114 32.448 32.500 0.103 0.000 0.722 106 K HN 0.572 nan 8.250 nan 0.000 0.446 107 D N -1.038 119.455 120.400 0.155 0.000 2.194 107 D HA -0.147 4.492 4.640 -0.001 0.000 0.204 107 D C 1.594 177.975 176.300 0.134 0.000 0.964 107 D CA 0.665 54.730 54.000 0.108 0.000 0.846 107 D CB 0.064 40.897 40.800 0.055 0.000 0.962 107 D HN 0.301 nan 8.370 nan 0.000 0.490 108 Y N 1.334 121.707 120.300 0.122 0.000 2.163 108 Y HA -0.130 4.420 4.550 -0.001 0.000 0.288 108 Y C 2.528 178.490 175.900 0.104 0.000 1.136 108 Y CA 1.964 60.144 58.100 0.132 0.000 1.147 108 Y CB -0.240 38.358 38.460 0.229 0.000 0.987 108 Y HN 0.026 nan 8.280 nan 0.000 0.509 109 A N 0.294 123.321 122.820 0.345 0.000 1.917 109 A HA -0.264 4.056 4.320 -0.001 0.000 0.219 109 A C 2.246 179.952 177.584 0.203 0.000 1.182 109 A CA 2.014 54.211 52.037 0.267 0.000 0.633 109 A CB -0.729 18.424 19.000 0.256 0.000 0.819 109 A HN 0.501 nan 8.150 nan 0.000 0.448 110 R N -0.432 120.160 120.500 0.154 0.000 2.091 110 R HA -0.119 4.220 4.340 -0.001 0.000 0.238 110 R C 2.018 178.348 176.300 0.051 0.000 1.136 110 R CA 1.781 57.938 56.100 0.095 0.000 0.959 110 R CB -0.224 30.114 30.300 0.063 0.000 0.856 110 R HN 0.519 nan 8.270 nan 0.000 0.437 111 K N 0.207 120.612 120.400 0.007 0.000 2.362 111 K HA -0.061 4.259 4.320 -0.001 0.000 0.200 111 K C 1.641 178.226 176.600 -0.025 0.000 1.046 111 K CA 0.674 56.928 56.287 -0.055 0.000 0.952 111 K CB 0.125 32.517 32.500 -0.180 0.000 0.753 111 K HN 0.217 nan 8.250 nan 0.000 0.466 112 L N -0.842 120.407 121.223 0.044 0.000 2.567 112 L HA 0.087 4.426 4.340 -0.001 0.000 0.225 112 L C 1.170 178.092 176.870 0.086 0.000 1.119 112 L CA 0.460 55.342 54.840 0.069 0.000 0.871 112 L CB 0.249 42.381 42.059 0.122 0.000 1.036 112 L HN 0.461 nan 8.230 nan 0.000 0.459 113 G N -0.944 107.912 108.800 0.093 0.000 2.184 113 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.206 113 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.206 113 G C -0.136 174.843 174.900 0.132 0.000 0.995 113 G CA -0.395 44.759 45.100 0.090 0.000 0.651 113 G HN 0.244 nan 8.290 nan 0.000 0.511 114 Y N 1.708 122.044 120.300 0.060 0.000 2.446 114 Y HA 0.592 5.141 4.550 -0.001 0.000 0.338 114 Y C -0.773 175.171 175.900 0.075 0.000 1.055 114 Y CA -0.950 57.194 58.100 0.073 0.000 1.101 114 Y CB 1.609 40.125 38.460 0.093 0.000 1.221 114 Y HN 0.055 nan 8.280 nan 0.000 0.460 115 D N 4.912 125.180 120.400 -0.220 0.000 2.485 115 D HA 0.304 4.943 4.640 -0.001 0.000 0.221 115 D C -0.476 175.931 176.300 0.178 0.000 1.112 115 D CA -0.087 53.901 54.000 -0.021 0.000 0.911 115 D CB 0.886 41.618 40.800 -0.113 0.000 1.019 115 D HN 0.690 nan 8.370 nan 0.000 0.516 116 A N 2.329 125.387 122.820 0.398 0.000 2.540 116 A HA 0.048 4.368 4.320 -0.001 0.000 0.239 116 A C 1.162 178.866 177.584 0.200 0.000 1.061 116 A CA 0.292 52.557 52.037 0.381 0.000 0.758 116 A CB 0.662 19.799 19.000 0.229 0.000 0.991 116 A HN 0.246 nan 8.150 nan 0.000 0.502 117 K N 1.308 121.814 120.400 0.177 0.000 2.477 117 K HA 0.180 4.500 4.320 -0.001 0.000 0.208 117 K C 0.576 176.970 176.600 -0.344 0.000 1.117 117 K CA 0.805 57.120 56.287 0.047 0.000 1.039 117 K CB 1.252 33.879 32.500 0.211 0.000 0.937 117 K HN 0.818 nan 8.250 nan 0.000 0.570 118 G N 0.340 108.817 108.800 -0.538 0.000 2.533 118 G HA2 0.551 4.510 3.960 -0.001 0.000 0.304 118 G HA3 0.551 4.510 3.960 -0.001 0.000 0.304 118 G C -1.308 173.258 174.900 -0.557 0.000 1.263 118 G CA -0.336 43.983 45.100 -1.302 0.000 0.964 118 G HN -0.114 nan 8.290 nan 0.000 0.479 119 V N 1.841 121.448 119.914 -0.511 0.000 2.531 119 V HA 0.407 4.526 4.120 -0.001 0.000 0.301 119 V C -0.793 175.141 176.094 -0.267 0.000 1.034 119 V CA -0.943 61.183 62.300 -0.290 0.000 0.865 119 V CB 1.995 33.686 31.823 -0.220 0.000 0.995 119 V HN 0.791 nan 8.190 nan 0.000 0.424 120 W N 7.096 128.103 121.300 -0.488 0.000 2.388 120 W HA 0.355 5.014 4.660 -0.001 0.000 0.308 120 W C -0.833 175.416 176.519 -0.450 0.000 1.263 120 W CA -0.734 56.285 57.345 -0.543 0.000 1.286 120 W CB 0.930 29.951 29.460 -0.733 0.000 1.294 120 W HN 0.471 nan 8.180 nan 0.000 0.493 121 L N 7.497 128.230 121.223 -0.816 0.000 2.456 121 L HA 0.023 4.363 4.340 -0.001 0.000 0.277 121 L C 0.861 177.293 176.870 -0.730 0.000 1.124 121 L CA 0.389 54.868 54.840 -0.601 0.000 0.880 121 L CB 0.523 42.306 42.059 -0.460 0.000 1.192 121 L HN 0.354 nan 8.230 nan 0.000 0.463 122 T N 4.967 119.328 114.554 -0.321 0.000 2.871 122 T HA -0.047 4.303 4.350 -0.001 0.000 0.296 122 T C 0.624 175.213 174.700 -0.184 0.000 0.998 122 T CA 0.017 62.055 62.100 -0.102 0.000 1.162 122 T CB 0.132 68.978 68.868 -0.037 0.000 0.947 122 T HN 0.626 nan 8.240 nan 0.000 0.536 123 E N 2.180 122.393 120.200 0.023 0.000 2.805 123 E HA -0.248 4.102 4.350 -0.001 0.000 0.266 123 E C 0.805 177.356 176.600 -0.082 0.000 1.092 123 E CA 0.538 56.969 56.400 0.052 0.000 0.781 123 E CB -1.143 28.392 29.700 -0.275 0.000 1.379 123 E HN 0.767 nan 8.360 nan 0.000 0.433 124 R N -2.170 118.214 120.500 -0.193 0.000 3.701 124 R HA -0.213 4.127 4.340 -0.001 0.000 0.276 124 R C 0.002 176.286 176.300 -0.026 0.000 1.150 124 R CA 1.148 57.156 56.100 -0.153 0.000 0.763 124 R CB -1.921 28.441 30.300 0.103 0.000 1.147 124 R HN 0.123 nan 8.270 nan 0.000 0.489 125 V N 1.018 120.818 119.914 -0.190 0.000 2.479 125 V HA 0.108 4.227 4.120 -0.001 0.000 0.281 125 V C 0.479 176.552 176.094 -0.035 0.000 1.031 125 V CA -0.051 62.149 62.300 -0.166 0.000 1.038 125 V CB 0.564 32.110 31.823 -0.461 0.000 0.981 125 V HN 0.291 nan 8.190 nan 0.000 0.478 126 W N 5.999 127.229 121.300 -0.116 0.000 2.736 126 W HA 0.570 5.229 4.660 -0.001 0.000 0.335 126 W C -1.162 175.298 176.519 -0.099 0.000 1.059 126 W CA -0.730 56.525 57.345 -0.149 0.000 1.226 126 W CB 1.958 31.288 29.460 -0.217 0.000 1.416 126 W HN 0.501 nan 8.180 nan 0.000 0.505 127 Q N 6.010 125.189 119.800 -1.035 0.000 2.289 127 Q HA 0.175 4.515 4.340 -0.001 0.000 0.270 127 Q C -2.224 173.117 176.000 -1.099 0.000 1.038 127 Q CA -1.905 53.446 55.803 -0.753 0.000 0.812 127 Q CB 3.210 31.714 28.738 -0.390 0.000 1.300 127 Q HN 0.211 nan 8.270 nan 0.000 0.427 128 P HA -0.112 nan 4.420 nan 0.000 0.238 128 P C -0.326 176.820 177.300 -0.258 0.000 1.679 128 P CA 1.018 63.956 63.100 -0.270 0.000 1.080 128 P CB -0.136 31.584 31.700 0.032 0.000 1.961 129 E N 0.229 120.184 120.200 -0.408 0.000 2.318 129 E HA 0.017 4.367 4.350 -0.001 0.000 0.180 129 E C 0.969 177.404 176.600 -0.275 0.000 0.931 129 E CA -0.227 56.024 56.400 -0.248 0.000 1.396 129 E CB -0.718 28.862 29.700 -0.200 0.000 2.229 129 E HN 0.202 nan 8.360 nan 0.000 0.855 130 L N 1.510 122.451 121.223 -0.469 0.000 2.478 130 L HA 0.052 4.392 4.340 -0.001 0.000 0.223 130 L C 2.307 179.062 176.870 -0.191 0.000 1.140 130 L CA 0.412 55.034 54.840 -0.362 0.000 0.842 130 L CB -0.413 41.334 42.059 -0.520 0.000 0.953 130 L HN -0.016 nan 8.230 nan 0.000 0.452 131 V N 0.587 120.412 119.914 -0.148 0.000 2.255 131 V HA -0.345 3.775 4.120 -0.001 0.000 0.247 131 V C 2.666 178.761 176.094 0.002 0.000 1.051 131 V CA 2.089 64.401 62.300 0.021 0.000 1.018 131 V CB -0.549 31.325 31.823 0.086 0.000 0.641 131 V HN 0.483 nan 8.190 nan 0.000 0.445 132 K N 0.131 120.516 120.400 -0.024 0.000 2.044 132 K HA -0.219 4.101 4.320 -0.001 0.000 0.210 132 K C 2.320 178.908 176.600 -0.020 0.000 1.049 132 K CA 2.164 58.441 56.287 -0.016 0.000 0.927 132 K CB -0.256 32.228 32.500 -0.026 0.000 0.713 132 K HN 0.522 nan 8.250 nan 0.000 0.443 133 S N 1.537 117.212 115.700 -0.042 0.000 2.348 133 S HA -0.146 4.324 4.470 -0.001 0.000 0.221 133 S C 2.012 176.597 174.600 -0.024 0.000 1.033 133 S CA 1.451 59.628 58.200 -0.037 0.000 1.010 133 S CB -0.441 62.724 63.200 -0.059 0.000 0.891 133 S HN 0.262 nan 8.310 nan 0.000 0.442 134 L N 0.648 121.854 121.223 -0.027 0.000 2.081 134 L HA -0.168 4.171 4.340 -0.001 0.000 0.212 134 L C 2.810 179.681 176.870 0.001 0.000 1.080 134 L CA 1.216 56.047 54.840 -0.015 0.000 0.754 134 L CB -0.368 41.691 42.059 -0.000 0.000 0.893 134 L HN 0.148 nan 8.230 nan 0.000 0.433 135 R N 0.275 120.784 120.500 0.015 0.000 2.075 135 R HA -0.124 4.215 4.340 -0.001 0.000 0.232 135 R C 2.127 178.438 176.300 0.019 0.000 1.126 135 R CA 1.285 57.401 56.100 0.027 0.000 0.963 135 R CB -0.307 30.014 30.300 0.035 0.000 0.858 135 R HN 0.385 nan 8.270 nan 0.000 0.435 136 E N -0.825 119.381 120.200 0.010 0.000 2.204 136 E HA -0.059 4.291 4.350 -0.001 0.000 0.194 136 E C 1.341 177.947 176.600 0.010 0.000 0.989 136 E CA 0.964 57.369 56.400 0.009 0.000 0.824 136 E CB 0.018 29.720 29.700 0.003 0.000 0.756 136 E HN 0.344 nan 8.360 nan 0.000 0.477 137 A N 0.250 123.073 122.820 0.006 0.000 2.238 137 A HA 0.219 4.538 4.320 -0.001 0.000 0.208 137 A C 1.659 179.250 177.584 0.012 0.000 1.177 137 A CA 0.752 52.794 52.037 0.008 0.000 0.804 137 A CB -0.351 18.650 19.000 0.001 0.000 0.823 137 A HN 0.309 nan 8.150 nan 0.000 0.482 138 G N -0.742 108.067 108.800 0.015 0.000 2.147 138 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.244 138 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.244 138 G C -0.021 174.888 174.900 0.016 0.000 1.005 138 G CA 0.252 45.365 45.100 0.022 0.000 0.713 138 G HN 0.331 nan 8.290 nan 0.000 0.515 139 I N 0.312 120.880 120.570 -0.004 0.000 2.472 139 I HA 0.303 4.473 4.170 -0.001 0.000 0.290 139 I C 1.145 177.252 176.117 -0.017 0.000 1.016 139 I CA -0.215 61.057 61.300 -0.046 0.000 1.348 139 I CB 1.213 39.161 38.000 -0.087 0.000 1.417 139 I HN 0.240 nan 8.210 nan 0.000 0.521 140 E N 4.158 124.340 120.200 -0.030 0.000 2.372 140 E HA 0.041 4.391 4.350 -0.001 0.000 0.201 140 E C -0.928 175.769 176.600 0.161 0.000 0.938 140 E CA 0.419 56.875 56.400 0.094 0.000 0.944 140 E CB 0.708 30.522 29.700 0.189 0.000 0.937 140 E HN 0.650 nan 8.360 nan 0.000 0.495 141 Y N -1.284 119.050 120.300 0.056 0.000 2.571 141 Y HA 0.553 5.103 4.550 -0.001 0.000 0.341 141 Y C -0.830 175.050 175.900 -0.033 0.000 1.076 141 Y CA -1.893 56.238 58.100 0.051 0.000 1.029 141 Y CB 0.817 39.383 38.460 0.177 0.000 1.308 141 Y HN -0.238 nan 8.280 nan 0.000 0.461 142 V N 0.148 120.123 119.914 0.102 0.000 2.864 142 V HA 0.874 4.993 4.120 -0.001 0.000 0.314 142 V C -1.148 174.931 176.094 -0.025 0.000 1.073 142 V CA -1.171 61.093 62.300 -0.061 0.000 0.956 142 V CB 1.447 33.224 31.823 -0.078 0.000 1.023 142 V HN 0.783 nan 8.190 nan 0.000 0.435 143 V N 4.050 123.847 119.914 -0.195 0.000 2.370 143 V HA 0.645 4.765 4.120 -0.001 0.000 0.283 143 V C 0.099 175.966 176.094 -0.378 0.000 1.023 143 V CA -0.144 62.021 62.300 -0.226 0.000 0.857 143 V CB 1.200 32.837 31.823 -0.309 0.000 0.985 143 V HN 0.853 nan 8.190 nan 0.000 0.443 144 V N 3.641 123.394 119.914 -0.267 0.000 3.164 144 V HA 0.571 4.691 4.120 -0.001 0.000 0.313 144 V C -0.788 175.267 176.094 -0.066 0.000 1.188 144 V CA -0.725 61.346 62.300 -0.382 0.000 1.058 144 V CB 2.695 34.101 31.823 -0.695 0.000 1.110 144 V HN 0.851 nan 8.190 nan 0.000 0.453 145 D N 1.103 121.643 120.400 0.234 0.000 2.225 145 D HA 0.185 4.824 4.640 -0.001 0.000 0.249 145 D C 0.252 176.785 176.300 0.389 0.000 1.052 145 D CA -0.001 54.220 54.000 0.368 0.000 0.909 145 D CB 1.677 42.740 40.800 0.438 0.000 1.186 145 D HN 0.774 nan 8.370 nan 0.000 0.431 146 D N 1.746 122.289 120.400 0.240 0.000 2.182 146 D HA -0.279 4.360 4.640 -0.001 0.000 0.201 146 D C 1.745 178.200 176.300 0.258 0.000 0.986 146 D CA 1.109 55.214 54.000 0.174 0.000 0.847 146 D CB -0.521 40.286 40.800 0.012 0.000 0.942 146 D HN 0.488 nan 8.370 nan 0.000 0.467 147 Y N 1.758 122.119 120.300 0.101 0.000 2.081 147 Y HA -0.312 4.237 4.550 -0.001 0.000 0.280 147 Y C 2.324 178.235 175.900 0.019 0.000 1.163 147 Y CA 2.129 60.251 58.100 0.036 0.000 1.135 147 Y CB -1.062 37.409 38.460 0.019 0.000 0.970 147 Y HN 0.064 nan 8.280 nan 0.000 0.498 148 H N -1.270 117.807 119.070 0.012 0.000 2.325 148 H HA -0.182 4.373 4.556 -0.001 0.000 0.293 148 H C 0.758 175.885 175.328 -0.335 0.000 1.106 148 H CA 1.723 57.628 56.048 -0.239 0.000 1.247 148 H CB -0.675 28.905 29.762 -0.304 0.000 1.359 148 H HN 0.206 nan 8.280 nan 0.000 0.488 152 A N 1.020 123.752 122.820 -0.146 0.000 2.035 152 A HA 0.724 5.044 4.320 -0.001 0.000 0.208 152 A C 1.631 179.193 177.584 -0.037 0.000 1.206 152 A CA 1.237 53.218 52.037 -0.093 0.000 0.773 152 A CB -0.070 18.845 19.000 -0.142 0.000 0.878 152 A HN 1.215 nan 8.150 nan 0.000 0.469 153 G N -1.753 107.023 108.800 -0.039 0.000 3.254 153 G HA2 0.028 3.987 3.960 -0.001 0.000 0.219 153 G HA3 0.028 3.987 3.960 -0.001 0.000 0.219 153 G C 0.163 175.064 174.900 0.002 0.000 0.964 153 G CA -0.053 45.050 45.100 0.006 0.000 0.823 153 G HN 0.235 nan 8.290 nan 0.000 0.579 154 L N 1.637 122.853 121.223 -0.012 0.000 2.488 154 L HA 0.708 5.047 4.340 -0.001 0.000 0.249 154 L C 0.894 177.762 176.870 -0.004 0.000 1.151 154 L CA -0.174 54.675 54.840 0.014 0.000 0.806 154 L CB 1.333 43.404 42.059 0.020 0.000 1.261 154 L HN 0.352 nan 8.230 nan 0.000 0.484 155 S N -1.629 114.093 115.700 0.037 0.000 2.526 155 S HA 0.340 4.810 4.470 -0.001 0.000 0.293 155 S C 0.163 174.810 174.600 0.078 0.000 1.092 155 S CA -0.968 57.249 58.200 0.028 0.000 0.980 155 S CB 2.038 65.265 63.200 0.045 0.000 1.048 155 S HN 0.485 nan 8.310 nan 0.000 0.483 156 K N 1.395 121.829 120.400 0.057 0.000 2.184 156 K HA -0.196 4.123 4.320 -0.001 0.000 0.210 156 K C 1.728 178.479 176.600 0.252 0.000 1.048 156 K CA 1.888 58.235 56.287 0.100 0.000 0.931 156 K CB -0.312 32.246 32.500 0.097 0.000 0.718 156 K HN 0.616 nan 8.250 nan 0.000 0.465 157 E N 0.906 121.249 120.200 0.239 0.000 2.160 157 E HA -0.182 4.168 4.350 -0.001 0.000 0.195 157 E C 0.582 177.461 176.600 0.465 0.000 0.991 157 E CA 1.270 57.850 56.400 0.299 0.000 0.810 157 E CB -0.011 29.802 29.700 0.188 0.000 0.742 157 E HN 0.711 nan 8.360 nan 0.000 0.466 158 E N -0.063 120.396 120.200 0.432 0.000 2.723 158 E HA 0.160 4.510 4.350 -0.001 0.000 0.219 158 E C 0.372 177.355 176.600 0.640 0.000 1.060 158 E CA -0.091 56.706 56.400 0.661 0.000 1.291 158 E CB -0.063 29.844 29.700 0.344 0.000 1.265 158 E HN 0.077 nan 8.360 nan 0.000 0.438 159 L N 0.636 122.081 121.223 0.368 0.000 3.288 159 L HA 0.369 4.708 4.340 -0.001 0.000 0.293 159 L C -0.371 176.176 176.870 -0.539 0.000 1.294 159 L CA -0.286 54.500 54.840 -0.089 0.000 1.006 159 L CB 0.073 41.961 42.059 -0.284 0.000 1.407 159 L HN 0.222 nan 8.230 nan 0.000 0.592 160 F N 0.155 119.800 119.950 -0.509 0.000 2.923 160 F HA 0.328 4.855 4.527 -0.001 0.000 0.314 160 F C 0.012 175.014 175.800 -1.331 0.000 1.196 160 F CA -0.349 57.042 58.000 -1.014 0.000 1.320 160 F CB 0.424 38.696 39.000 -1.214 0.000 0.953 160 F HN 0.049 nan 8.300 nan 0.000 0.505 161 W N 0.763 121.972 121.300 -0.152 0.000 3.137 161 W HA 0.301 4.961 4.660 -0.001 0.000 0.324 161 W C -2.769 173.467 176.519 -0.472 0.000 1.253 161 W CA -1.718 55.459 57.345 -0.280 0.000 1.183 161 W CB 1.426 30.698 29.460 -0.313 0.000 1.424 161 W HN -0.295 nan 8.180 nan 0.000 0.566 162 P HA 0.352 nan 4.420 nan 0.000 0.286 162 P C -1.328 175.718 177.300 -0.424 0.000 1.261 162 P CA 0.088 62.772 63.100 -0.693 0.000 0.821 162 P CB 1.661 32.426 31.700 -1.557 0.000 1.013 163 Y N 0.302 120.437 120.300 -0.275 0.000 2.675 163 Y HA 0.439 4.988 4.550 -0.001 0.000 0.328 163 Y C 0.234 176.045 175.900 -0.148 0.000 1.092 163 Y CA -0.543 57.502 58.100 -0.091 0.000 1.190 163 Y CB 1.148 39.707 38.460 0.166 0.000 1.350 163 Y HN 0.276 nan 8.280 nan 0.000 0.525 164 Y N -0.105 120.279 120.300 0.140 0.000 2.360 164 Y HA 0.479 5.028 4.550 -0.001 0.000 0.337 164 Y C 0.168 176.032 175.900 -0.060 0.000 1.039 164 Y CA -0.368 57.744 58.100 0.020 0.000 1.109 164 Y CB 2.038 40.498 38.460 0.000 0.000 1.201 164 Y HN 0.415 nan 8.280 nan 0.000 0.458 165 T N 3.354 117.955 114.554 0.078 0.000 2.893 165 T HA 0.491 4.840 4.350 -0.001 0.000 0.293 165 T C -1.227 173.444 174.700 -0.048 0.000 1.027 165 T CA -0.703 61.323 62.100 -0.123 0.000 0.988 165 T CB 1.047 69.805 68.868 -0.183 0.000 1.043 165 T HN 0.745 nan 8.240 nan 0.000 0.461 166 E N 2.626 122.723 120.200 -0.171 0.000 2.410 166 E HA 0.771 5.121 4.350 -0.001 0.000 0.269 166 E C -1.488 175.212 176.600 0.166 0.000 0.937 166 E CA -0.764 55.645 56.400 0.015 0.000 0.793 166 E CB 1.851 31.546 29.700 -0.009 0.000 1.314 166 E HN 0.438 nan 8.360 nan 0.000 0.447 167 D N 0.031 120.516 120.400 0.143 0.000 2.746 167 D HA 0.405 5.045 4.640 -0.001 0.000 0.211 167 D C 0.179 176.523 176.300 0.072 0.000 1.242 167 D CA 0.473 54.551 54.000 0.129 0.000 0.790 167 D CB 1.263 42.118 40.800 0.092 0.000 1.744 167 D HN 0.919 nan 8.370 nan 0.000 0.520 168 G N 2.245 111.079 108.800 0.057 0.000 2.512 168 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.254 168 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.254 168 G C 0.657 175.583 174.900 0.044 0.000 1.199 168 G CA 0.287 45.407 45.100 0.034 0.000 0.941 168 G HN 0.911 nan 8.290 nan 0.000 0.569 169 G N 0.025 108.844 108.800 0.032 0.000 3.324 169 G HA2 0.512 4.472 3.960 -0.001 0.000 0.251 169 G HA3 0.512 4.472 3.960 -0.001 0.000 0.251 169 G C 0.366 175.281 174.900 0.025 0.000 1.072 169 G CA 0.875 45.993 45.100 0.029 0.000 0.787 169 G HN 0.708 nan 8.290 nan 0.000 0.537 170 E N 0.299 120.520 120.200 0.034 0.000 2.283 170 E HA 0.480 4.830 4.350 -0.001 0.000 0.271 170 E C -0.348 176.284 176.600 0.053 0.000 1.031 170 E CA -0.657 55.766 56.400 0.038 0.000 0.868 170 E CB 2.607 32.332 29.700 0.042 0.000 1.094 170 E HN 0.105 nan 8.360 nan 0.000 0.401 171 V N -0.236 119.718 119.914 0.067 0.000 3.113 171 V HA 0.779 4.898 4.120 -0.001 0.000 0.316 171 V C -0.482 175.729 176.094 0.195 0.000 1.125 171 V CA -0.821 61.550 62.300 0.118 0.000 1.026 171 V CB 1.870 33.734 31.823 0.068 0.000 1.080 171 V HN 0.740 nan 8.190 nan 0.000 0.444 172 I N 0.453 121.170 120.570 0.245 0.000 2.841 172 I HA 0.523 4.692 4.170 -0.001 0.000 0.298 172 I C -0.364 175.832 176.117 0.131 0.000 1.304 172 I CA -0.139 61.279 61.300 0.195 0.000 1.019 172 I CB 2.592 40.686 38.000 0.155 0.000 1.282 172 I HN 0.901 nan 8.210 nan 0.000 0.432 173 T N 5.586 120.170 114.554 0.049 0.000 2.832 173 T HA 0.410 4.759 4.350 -0.001 0.000 0.296 173 T C -0.432 174.253 174.700 -0.026 0.000 0.968 173 T CA -0.315 61.718 62.100 -0.111 0.000 1.107 173 T CB 0.968 69.772 68.868 -0.107 0.000 0.916 173 T HN 0.265 nan 8.240 nan 0.000 0.517 174 V N 4.221 124.069 119.914 -0.111 0.000 2.417 174 V HA 0.502 4.621 4.120 -0.001 0.000 0.291 174 V C -0.612 175.440 176.094 -0.070 0.000 1.024 174 V CA -0.945 61.322 62.300 -0.055 0.000 0.861 174 V CB 0.885 32.636 31.823 -0.121 0.000 0.985 174 V HN 0.743 nan 8.190 nan 0.000 0.436 175 F N 6.388 126.320 119.950 -0.029 0.000 2.436 175 F HA 0.606 5.132 4.527 -0.001 0.000 0.340 175 F C -2.061 173.724 175.800 -0.026 0.000 1.113 175 F CA -2.244 55.717 58.000 -0.066 0.000 1.022 175 F CB 2.386 41.334 39.000 -0.088 0.000 1.128 175 F HN 0.299 nan 8.300 nan 0.000 0.466 176 P HA 0.353 nan 4.420 nan 0.000 0.292 176 P C -0.730 176.585 177.300 0.026 0.000 1.283 176 P CA -0.257 62.846 63.100 0.005 0.000 0.835 176 P CB 1.853 33.355 31.700 -0.331 0.000 1.017 177 I N 2.609 123.218 120.570 0.066 0.000 2.306 177 I HA 0.141 4.310 4.170 -0.001 0.000 0.288 177 I C 0.925 177.086 176.117 0.073 0.000 1.036 177 I CA -0.531 60.815 61.300 0.076 0.000 1.221 177 I CB 0.453 38.499 38.000 0.076 0.000 1.385 177 I HN 0.257 nan 8.210 nan 0.000 0.472 178 D N 6.241 126.677 120.400 0.060 0.000 2.487 178 D HA -0.113 4.526 4.640 -0.001 0.000 0.243 178 D C 1.065 177.464 176.300 0.166 0.000 1.154 178 D CA 0.668 54.709 54.000 0.069 0.000 0.876 178 D CB 1.029 41.901 40.800 0.118 0.000 1.161 178 D HN 0.622 nan 8.370 nan 0.000 0.478 179 E N 3.582 123.870 120.200 0.147 0.000 2.150 179 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 179 E C 1.387 178.155 176.600 0.280 0.000 0.985 179 E CA 0.774 57.294 56.400 0.199 0.000 0.814 179 E CB 0.327 30.094 29.700 0.112 0.000 0.752 179 E HN 0.442 nan 8.360 nan 0.000 0.466 180 K N 0.406 120.944 120.400 0.230 0.000 1.971 180 K HA -0.193 4.127 4.320 -0.001 0.000 0.221 180 K C 2.284 179.085 176.600 0.335 0.000 1.050 180 K CA 1.765 58.205 56.287 0.255 0.000 0.967 180 K CB -0.415 32.221 32.500 0.226 0.000 0.733 180 K HN 0.158 nan 8.250 nan 0.000 0.445 181 L N 1.085 122.523 121.223 0.357 0.000 2.010 181 L HA -0.275 4.065 4.340 -0.001 0.000 0.219 181 L C 2.350 179.510 176.870 0.483 0.000 1.077 181 L CA 1.754 56.849 54.840 0.426 0.000 0.773 181 L CB -0.896 41.529 42.059 0.611 0.000 0.892 181 L HN 0.328 nan 8.230 nan 0.000 0.436 182 R N -1.442 119.372 120.500 0.523 0.000 2.377 182 R HA -0.152 4.187 4.340 -0.001 0.000 0.207 182 R C 1.052 177.388 176.300 0.060 0.000 1.075 182 R CA 1.201 57.528 56.100 0.378 0.000 1.035 182 R CB -0.400 30.000 30.300 0.167 0.000 0.857 182 R HN 0.412 nan 8.270 nan 0.000 0.475 183 Y N -0.506 119.894 120.300 0.167 0.000 2.441 183 Y HA 0.260 4.809 4.550 -0.001 0.000 0.266 183 Y C 1.754 177.723 175.900 0.115 0.000 1.093 183 Y CA -0.312 57.843 58.100 0.092 0.000 1.246 183 Y CB 0.596 39.099 38.460 0.071 0.000 1.262 183 Y HN -0.125 nan 8.280 nan 0.000 0.518 184 L N -0.086 121.324 121.223 0.311 0.000 2.013 184 L HA 0.014 4.354 4.340 -0.001 0.000 0.204 184 L C 0.404 177.365 176.870 0.152 0.000 1.081 184 L CA 0.811 55.869 54.840 0.364 0.000 0.751 184 L CB -0.276 41.942 42.059 0.264 0.000 0.901 184 L HN -0.054 nan 8.230 nan 0.000 0.440 185 I N 2.583 123.105 120.570 -0.080 0.000 2.517 185 I HA 0.068 4.237 4.170 -0.001 0.000 0.285 185 I C -2.121 173.637 176.117 -0.597 0.000 1.106 185 I CA -1.397 59.611 61.300 -0.487 0.000 1.402 185 I CB 0.454 37.974 38.000 -0.800 0.000 1.399 185 I HN -0.007 nan 8.210 nan 0.000 0.535 186 P HA 0.328 nan 4.420 nan 0.000 0.301 186 P C -0.912 175.868 177.300 -0.867 0.000 1.338 186 P CA -0.444 61.702 63.100 -1.589 0.000 0.834 186 P CB 1.241 31.820 31.700 -1.869 0.000 0.967 187 F N 4.908 124.376 119.950 -0.803 0.000 3.675 187 F HA 0.185 4.712 4.527 -0.001 0.000 0.354 187 F C -0.514 175.453 175.800 0.278 0.000 0.954 187 F CA -0.562 57.325 58.000 -0.189 0.000 1.599 187 F CB 0.194 39.109 39.000 -0.143 0.000 1.991 187 F HN 0.518 nan 8.300 nan 0.000 0.862 188 R N 3.067 123.744 120.500 0.294 0.000 2.204 188 R HA -0.159 4.180 4.340 -0.001 0.000 0.319 188 R C -2.633 173.614 176.300 -0.088 0.000 1.127 188 R CA 0.379 56.500 56.100 0.035 0.000 1.046 188 R CB -1.599 28.564 30.300 -0.228 0.000 2.920 188 R HN 0.412 nan 8.270 nan 0.000 0.506 189 P HA -0.157 nan 4.420 nan 0.000 0.148 189 P C 0.427 177.675 177.300 -0.087 0.000 0.756 189 P CA 0.595 63.643 63.100 -0.086 0.000 1.236 189 P CB 0.247 31.822 31.700 -0.208 0.000 1.438 190 V N 2.276 122.134 119.914 -0.093 0.000 3.431 190 V HA -0.061 4.059 4.120 -0.001 0.000 0.253 190 V C 1.838 177.935 176.094 0.005 0.000 1.184 190 V CA 1.052 63.300 62.300 -0.087 0.000 1.104 190 V CB -0.263 31.464 31.823 -0.159 0.000 0.799 190 V HN 0.249 nan 8.190 nan 0.000 0.462 191 K N 0.858 121.288 120.400 0.051 0.000 2.211 191 K HA -0.142 4.177 4.320 -0.001 0.000 0.204 191 K C 1.953 178.566 176.600 0.020 0.000 1.047 191 K CA 0.947 57.283 56.287 0.082 0.000 0.935 191 K CB -0.317 32.287 32.500 0.174 0.000 0.728 191 K HN 0.249 nan 8.250 nan 0.000 0.452 192 K N 0.148 120.554 120.400 0.010 0.000 2.103 192 K HA -0.078 4.242 4.320 -0.001 0.000 0.207 192 K C 2.014 178.718 176.600 0.173 0.000 1.048 192 K CA 1.602 57.906 56.287 0.028 0.000 0.930 192 K CB -0.804 31.721 32.500 0.041 0.000 0.716 192 K HN 0.230 nan 8.250 nan 0.000 0.444 193 T N 2.329 116.946 114.554 0.105 0.000 2.735 193 T HA 0.012 4.361 4.350 -0.001 0.000 0.256 193 T C 1.991 176.748 174.700 0.095 0.000 1.042 193 T CA 0.627 62.785 62.100 0.098 0.000 1.147 193 T CB -0.072 68.810 68.868 0.023 0.000 0.865 193 T HN -0.031 nan 8.240 nan 0.000 0.421 194 I N 1.462 122.073 120.570 0.069 0.000 2.151 194 I HA -0.168 4.002 4.170 -0.001 0.000 0.243 194 I C 2.565 178.706 176.117 0.040 0.000 1.080 194 I CA 1.671 63.011 61.300 0.066 0.000 1.339 194 I CB -1.139 36.924 38.000 0.105 0.000 1.039 194 I HN 0.245 nan 8.210 nan 0.000 0.409 195 E N 0.169 120.375 120.200 0.010 0.000 2.058 195 E HA -0.229 4.121 4.350 -0.001 0.000 0.194 195 E C 2.245 178.805 176.600 -0.066 0.000 0.997 195 E CA 1.416 57.773 56.400 -0.072 0.000 0.801 195 E CB -0.459 29.113 29.700 -0.214 0.000 0.746 195 E HN 0.441 nan 8.360 nan 0.000 0.450 196 Y N 0.200 120.447 120.300 -0.087 0.000 2.081 196 Y HA -0.198 4.351 4.550 -0.001 0.000 0.280 196 Y C 1.603 177.460 175.900 -0.072 0.000 1.163 196 Y CA 1.319 59.373 58.100 -0.077 0.000 1.135 196 Y CB -0.298 38.120 38.460 -0.069 0.000 0.970 196 Y HN 0.096 nan 8.280 nan 0.000 0.498 197 L N -0.500 120.793 121.223 0.116 0.000 2.933 197 L HA 0.128 4.467 4.340 -0.001 0.000 0.258 197 L C 0.615 177.449 176.870 -0.059 0.000 1.253 197 L CA 0.894 55.748 54.840 0.025 0.000 1.096 197 L CB -0.383 41.683 42.059 0.012 0.000 1.432 197 L HN -0.014 nan 8.230 nan 0.000 0.418 198 E N -0.329 119.823 120.200 -0.079 0.000 2.465 198 E HA 0.126 4.476 4.350 -0.001 0.000 0.209 198 E C 1.199 177.714 176.600 -0.142 0.000 0.951 198 E CA 0.853 57.144 56.400 -0.182 0.000 0.997 198 E CB 0.564 30.164 29.700 -0.167 0.000 1.025 198 E HN 0.784 nan 8.360 nan 0.000 0.500 199 S N -0.900 114.759 115.700 -0.069 0.000 3.736 199 S HA -0.287 4.183 4.470 -0.001 0.000 0.627 199 S C 0.064 174.645 174.600 -0.031 0.000 2.426 199 S CA 0.832 59.010 58.200 -0.036 0.000 4.022 199 S CB -1.050 62.133 63.200 -0.028 0.000 0.237 199 S HN 0.283 nan 8.310 nan 0.000 0.967 207 K N 1.111 121.540 120.400 0.049 0.000 6.362 207 K HA -0.091 4.229 4.320 -0.001 0.000 0.680 207 K C -0.711 175.773 176.600 -0.194 0.000 2.319 207 K CA 0.625 56.691 56.287 -0.369 0.000 1.675 207 K CB -1.050 31.337 32.500 -0.189 0.000 1.858 207 K HN 0.906 nan 8.250 nan 0.000 0.286 208 V N 0.747 120.529 119.914 -0.221 0.000 3.158 208 V HA 0.943 5.062 4.120 -0.001 0.000 0.311 208 V C -0.474 175.667 176.094 0.079 0.000 1.181 208 V CA -0.563 61.725 62.300 -0.020 0.000 1.054 208 V CB 2.102 33.880 31.823 -0.076 0.000 1.085 208 V HN 0.894 nan 8.190 nan 0.000 0.446 209 A N 0.695 123.625 122.820 0.184 0.000 2.357 209 A HA 0.830 5.149 4.320 -0.001 0.000 0.295 209 A C -1.129 176.606 177.584 0.251 0.000 1.121 209 A CA -0.512 51.712 52.037 0.312 0.000 0.742 209 A CB 1.516 20.787 19.000 0.453 0.000 1.181 209 A HN 0.901 nan 8.150 nan 0.000 0.454 210 V N 2.781 122.783 119.914 0.146 0.000 2.448 210 V HA 0.581 4.700 4.120 -0.001 0.000 0.295 210 V C -0.947 175.263 176.094 0.193 0.000 1.025 210 V CA -0.411 61.933 62.300 0.072 0.000 0.859 210 V CB 1.393 33.252 31.823 0.059 0.000 0.988 210 V HN 0.816 nan 8.190 nan 0.000 0.431 211 F N 4.615 124.574 119.950 0.015 0.000 2.493 211 F HA 0.727 5.254 4.527 -0.001 0.000 0.329 211 F C -0.633 175.157 175.800 -0.017 0.000 1.126 211 F CA -0.305 57.762 58.000 0.111 0.000 0.937 211 F CB 1.308 40.484 39.000 0.294 0.000 1.146 211 F HN 0.633 nan 8.300 nan 0.000 0.442 212 H N 4.653 123.179 119.070 -0.907 0.000 3.083 212 H HA 0.354 4.910 4.556 -0.001 0.000 0.339 212 H C -1.730 173.258 175.328 -0.566 0.000 1.020 212 H CA -0.599 55.065 56.048 -0.639 0.000 1.360 212 H CB 1.018 30.792 29.762 0.019 0.000 1.811 212 H HN 0.746 nan 8.280 nan 0.000 0.493 213 D N 2.139 122.290 120.400 -0.416 0.000 2.665 213 D HA 0.090 4.729 4.640 -0.001 0.000 0.287 213 D C -0.993 175.253 176.300 -0.090 0.000 1.266 213 D CA -0.572 53.343 54.000 -0.141 0.000 0.830 213 D CB 2.031 42.717 40.800 -0.191 0.000 1.356 213 D HN 0.518 nan 8.370 nan 0.000 0.437 214 D N -0.572 119.836 120.400 0.013 0.000 2.506 214 D HA 0.270 4.910 4.640 -0.001 0.000 0.234 214 D C 1.211 177.468 176.300 -0.071 0.000 1.143 214 D CA 0.318 54.307 54.000 -0.018 0.000 0.871 214 D CB 0.753 41.669 40.800 0.194 0.000 1.190 214 D HN 0.434 nan 8.370 nan 0.000 0.459 215 G N 1.249 109.951 108.800 -0.164 0.000 2.551 215 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.216 215 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.216 215 G C 1.183 176.088 174.900 0.008 0.000 1.137 215 G CA 0.033 45.042 45.100 -0.150 0.000 0.798 215 G HN 0.328 nan 8.290 nan 0.000 0.536 216 E N 0.883 121.081 120.200 -0.004 0.000 2.267 216 E HA -0.053 4.296 4.350 -0.001 0.000 0.197 216 E C 2.318 178.791 176.600 -0.212 0.000 0.998 216 E CA 0.654 57.072 56.400 0.029 0.000 0.830 216 E CB -0.021 29.866 29.700 0.311 0.000 0.751 216 E HN 0.358 nan 8.360 nan 0.000 0.491 217 K N -0.304 119.719 120.400 -0.628 0.000 2.147 217 K HA -0.085 4.235 4.320 -0.001 0.000 0.205 217 K C 0.169 176.457 176.600 -0.520 0.000 1.049 217 K CA 0.652 56.282 56.287 -1.095 0.000 0.936 217 K CB -0.135 31.736 32.500 -1.048 0.000 0.722 217 K HN 0.180 nan 8.250 nan 0.000 0.446 218 F N 0.562 120.348 119.950 -0.273 0.000 2.705 218 F HA 0.160 4.686 4.527 -0.001 0.000 0.355 218 F C 1.259 177.024 175.800 -0.059 0.000 1.172 218 F CA 0.210 58.155 58.000 -0.091 0.000 1.332 218 F CB 0.249 39.321 39.000 0.119 0.000 1.621 218 F HN 0.182 nan 8.300 nan 0.000 0.605 219 G N -1.231 107.586 108.800 0.028 0.000 2.480 219 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.193 219 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.193 219 G C 0.743 175.616 174.900 -0.045 0.000 1.004 219 G CA 0.128 45.228 45.100 -0.000 0.000 0.696 219 G HN 0.204 nan 8.290 nan 0.000 0.478 220 V N 0.205 120.113 119.914 -0.010 0.000 2.949 220 V HA 0.307 4.426 4.120 -0.001 0.000 0.245 220 V C 1.616 177.798 176.094 0.147 0.000 1.086 220 V CA 0.489 62.793 62.300 0.007 0.000 1.097 220 V CB -0.366 31.417 31.823 -0.068 0.000 0.762 220 V HN 0.308 nan 8.190 nan 0.000 0.470 221 W N 1.812 123.045 121.300 -0.111 0.000 2.073 221 W HA 0.207 4.867 4.660 -0.001 0.000 0.358 221 W C -1.791 174.684 176.519 -0.074 0.000 1.321 221 W CA -1.957 55.329 57.345 -0.098 0.000 1.317 221 W CB -0.980 28.433 29.460 -0.079 0.000 1.226 221 W HN 0.009 nan 8.180 nan 0.000 0.622 222 P HA -0.010 nan 4.420 nan 0.000 0.253 222 P C 0.518 177.861 177.300 0.072 0.000 1.170 222 P CA 1.446 64.576 63.100 0.049 0.000 0.806 222 P CB -0.449 31.253 31.700 0.002 0.000 0.775 223 G N 3.901 112.742 108.800 0.068 0.000 2.390 223 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.299 223 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.299 223 G C 0.721 175.662 174.900 0.068 0.000 1.002 223 G CA 0.629 45.769 45.100 0.067 0.000 0.979 223 G HN 0.657 nan 8.290 nan 0.000 0.513 224 T N -3.918 110.692 114.554 0.092 0.000 3.107 224 T HA 0.388 4.737 4.350 -0.001 0.000 0.249 224 T C 0.756 175.522 174.700 0.110 0.000 1.096 224 T CA 0.503 62.627 62.100 0.040 0.000 1.012 224 T CB 0.377 69.237 68.868 -0.013 0.000 0.977 224 T HN 0.589 nan 8.240 nan 0.000 0.527 234 L N 1.751 123.146 121.223 0.286 0.000 1.955 234 L HA -0.201 4.138 4.340 -0.001 0.000 0.213 234 L C 2.530 179.083 176.870 -0.528 0.000 1.072 234 L CA 2.359 57.166 54.840 -0.054 0.000 0.755 234 L CB -0.694 41.286 42.059 -0.130 0.000 0.888 234 L HN 0.078 nan 8.230 nan 0.000 0.432 235 R N -0.358 119.923 120.500 -0.365 0.000 2.154 235 R HA -0.278 4.061 4.340 -0.001 0.000 0.248 235 R C 2.167 178.294 176.300 -0.289 0.000 1.155 235 R CA 2.158 58.075 56.100 -0.304 0.000 0.979 235 R CB -0.159 30.162 30.300 0.035 0.000 0.869 235 R HN 0.518 nan 8.270 nan 0.000 0.452 236 E N -0.739 119.295 120.200 -0.277 0.000 2.072 236 E HA -0.190 4.160 4.350 -0.001 0.000 0.190 236 E C 1.673 178.037 176.600 -0.393 0.000 0.982 236 E CA 0.810 57.042 56.400 -0.280 0.000 0.803 236 E CB -0.170 29.348 29.700 -0.303 0.000 0.755 236 E HN 0.297 nan 8.360 nan 0.000 0.453 237 F N 0.501 119.994 119.950 -0.761 0.000 2.216 237 F HA -0.183 4.343 4.527 -0.001 0.000 0.300 237 F C 1.651 177.218 175.800 -0.388 0.000 1.085 237 F CA 1.094 58.636 58.000 -0.764 0.000 1.326 237 F CB -0.128 38.181 39.000 -1.152 0.000 1.027 237 F HN 0.070 nan 8.300 nan 0.000 0.497 238 F N 1.370 120.906 119.950 -0.690 0.000 2.113 238 F HA -0.179 4.348 4.527 -0.001 0.000 0.297 238 F C 2.699 178.132 175.800 -0.612 0.000 1.103 238 F CA 1.629 59.118 58.000 -0.851 0.000 1.248 238 F CB -1.361 36.777 39.000 -1.437 0.000 0.999 238 F HN 0.215 nan 8.300 nan 0.000 0.475 239 D N -0.278 120.001 120.400 -0.203 0.000 2.249 239 D HA -0.024 4.615 4.640 -0.001 0.000 0.205 239 D C 2.022 178.244 176.300 -0.129 0.000 0.962 239 D CA 0.988 55.002 54.000 0.025 0.000 0.860 239 D CB -0.719 40.230 40.800 0.249 0.000 0.955 239 D HN 0.190 nan 8.370 nan 0.000 0.505 240 A N 1.463 124.137 122.820 -0.243 0.000 1.902 240 A HA -0.104 4.215 4.320 -0.001 0.000 0.217 240 A C 2.362 179.737 177.584 -0.348 0.000 1.181 240 A CA 0.964 52.834 52.037 -0.278 0.000 0.623 240 A CB -0.498 18.298 19.000 -0.340 0.000 0.818 240 A HN 0.182 nan 8.150 nan 0.000 0.443 241 I N 0.601 120.862 120.570 -0.516 0.000 2.193 241 I HA -0.098 4.071 4.170 -0.001 0.000 0.240 241 I C 1.907 177.845 176.117 -0.298 0.000 1.084 241 I CA 1.588 62.577 61.300 -0.518 0.000 1.365 241 I CB -1.831 35.739 38.000 -0.716 0.000 1.064 241 I HN 0.482 nan 8.210 nan 0.000 0.410 246 K N 1.554 121.855 120.400 -0.165 0.000 2.358 246 K HA 0.364 4.683 4.320 -0.001 0.000 0.197 246 K C 0.307 176.824 176.600 -0.138 0.000 1.025 246 K CA -0.157 56.053 56.287 -0.128 0.000 1.104 246 K CB 0.071 32.498 32.500 -0.121 0.000 0.855 246 K HN 0.490 nan 8.250 nan 0.000 0.531 247 I N 3.038 123.496 120.570 -0.186 0.000 2.421 247 I HA 0.022 4.191 4.170 -0.001 0.000 0.291 247 I C -0.006 176.075 176.117 -0.061 0.000 1.089 247 I CA -0.126 61.079 61.300 -0.159 0.000 1.354 247 I CB 0.124 37.972 38.000 -0.254 0.000 1.413 247 I HN 0.217 nan 8.210 nan 0.000 0.513 248 N N 7.899 126.599 118.700 0.001 0.000 2.482 248 N HA 0.275 5.014 4.740 -0.001 0.000 0.242 248 N C -0.408 175.169 175.510 0.111 0.000 1.100 248 N CA -0.459 52.619 53.050 0.047 0.000 0.946 248 N CB 0.687 39.212 38.487 0.063 0.000 1.227 248 N HN 0.514 nan 8.380 nan 0.000 0.508 252 Y N 1.792 121.953 120.300 -0.232 0.000 2.003 252 Y HA -0.278 4.272 4.550 -0.001 0.000 0.261 252 Y C 3.009 178.780 175.900 -0.215 0.000 1.211 252 Y CA 2.254 60.030 58.100 -0.540 0.000 1.098 252 Y CB -0.666 37.210 38.460 -0.974 0.000 0.925 252 Y HN 0.632 nan 8.280 nan 0.000 0.498 253 S N -0.280 115.527 115.700 0.177 0.000 2.372 253 S HA -0.294 4.175 4.470 -0.001 0.000 0.227 253 S C 1.777 176.509 174.600 0.220 0.000 1.044 253 S CA 1.856 60.212 58.200 0.260 0.000 1.050 253 S CB -0.456 62.952 63.200 0.346 0.000 0.901 253 S HN 0.491 nan 8.310 nan 0.000 0.447 254 E N -0.576 119.738 120.200 0.189 0.000 2.085 254 E HA -0.212 4.138 4.350 -0.001 0.000 0.194 254 E C 1.830 178.562 176.600 0.220 0.000 0.994 254 E CA 1.417 57.917 56.400 0.166 0.000 0.801 254 E CB -0.250 29.529 29.700 0.130 0.000 0.743 254 E HN 0.661 nan 8.360 nan 0.000 0.453 255 Y N 1.067 121.459 120.300 0.154 0.000 2.114 255 Y HA -0.123 4.426 4.550 -0.000 0.000 0.284 255 Y C 1.320 177.410 175.900 0.317 0.000 1.143 255 Y CA 1.055 59.321 58.100 0.277 0.000 1.135 255 Y CB 0.110 38.712 38.460 0.237 0.000 0.980 255 Y HN -0.083 nan 8.280 nan 0.000 0.499 256 L N 1.347 122.882 121.223 0.519 0.000 2.858 256 L HA 0.034 4.374 4.340 -0.001 0.000 0.243 256 L C 0.694 177.704 176.870 0.234 0.000 1.416 256 L CA 0.891 55.965 54.840 0.390 0.000 1.182 256 L CB -0.843 41.426 42.059 0.351 0.000 1.564 256 L HN 0.392 nan 8.230 nan 0.000 0.436 257 S N -3.219 112.579 115.700 0.164 0.000 2.227 257 S HA 0.057 4.527 4.470 -0.001 0.000 0.267 257 S C 1.191 175.769 174.600 -0.036 0.000 0.987 257 S CA -0.616 57.627 58.200 0.072 0.000 1.448 257 S CB 0.156 63.402 63.200 0.077 0.000 1.118 257 S HN 0.321 nan 8.310 nan 0.000 0.555 258 K N 0.252 120.590 120.400 -0.102 0.000 2.354 258 K HA 0.462 4.781 4.320 -0.001 0.000 0.194 258 K C -0.950 175.109 176.600 -0.903 0.000 1.038 258 K CA 0.421 56.435 56.287 -0.455 0.000 1.052 258 K CB 0.402 32.625 32.500 -0.462 0.000 0.861 258 K HN 0.367 nan 8.250 nan 0.000 0.535 259 F N -0.500 119.358 119.950 -0.153 0.000 2.745 259 F HA 0.198 4.725 4.527 -0.000 0.000 0.316 259 F C -0.031 175.781 175.800 0.021 0.000 1.155 259 F CA -1.242 56.689 58.000 -0.115 0.000 0.937 259 F CB 1.530 40.358 39.000 -0.287 0.000 1.361 259 F HN -0.277 nan 8.300 nan 0.000 0.472 260 T N -1.111 113.598 114.554 0.258 0.000 2.887 260 T HA 0.713 5.063 4.350 -0.001 0.000 0.288 260 T C -2.944 171.818 174.700 0.104 0.000 1.021 260 T CA -2.369 59.832 62.100 0.167 0.000 1.000 260 T CB 1.821 70.784 68.868 0.159 0.000 1.034 260 T HN 0.175 nan 8.240 nan 0.000 0.467 261 P HA 0.155 nan 4.420 nan 0.000 0.270 261 P C 0.922 178.131 177.300 -0.151 0.000 1.216 261 P CA -0.452 62.505 63.100 -0.237 0.000 0.788 261 P CB 0.547 31.869 31.700 -0.630 0.000 0.883 262 R N 1.079 121.358 120.500 -0.368 0.000 2.147 262 R HA 0.028 4.368 4.340 -0.001 0.000 0.225 262 R C 0.870 177.042 176.300 -0.212 0.000 1.120 262 R CA 2.300 58.102 56.100 -0.497 0.000 0.891 262 R CB -0.977 28.566 30.300 -1.261 0.000 0.822 262 R HN 0.698 nan 8.270 nan 0.000 0.433 263 G N -1.645 107.095 108.800 -0.100 0.000 2.606 263 G HA2 0.402 4.361 3.960 -0.001 0.000 0.300 263 G HA3 0.402 4.361 3.960 -0.001 0.000 0.300 263 G C -1.880 173.193 174.900 0.288 0.000 1.360 263 G CA -0.507 44.671 45.100 0.129 0.000 0.783 263 G HN 0.375 nan 8.290 nan 0.000 0.484 264 L N 0.406 121.742 121.223 0.187 0.000 2.380 264 L HA 0.787 5.127 4.340 -0.001 0.000 0.273 264 L C -0.249 176.663 176.870 0.069 0.000 1.138 264 L CA -0.334 54.566 54.840 0.101 0.000 0.832 264 L CB 1.312 43.350 42.059 -0.036 0.000 1.124 264 L HN 0.694 nan 8.230 nan 0.000 0.454 265 V N 5.263 125.138 119.914 -0.066 0.000 2.969 265 V HA 0.458 4.577 4.120 -0.001 0.000 0.304 265 V C -1.597 174.321 176.094 -0.293 0.000 1.192 265 V CA -0.477 61.760 62.300 -0.104 0.000 0.962 265 V CB 2.012 33.760 31.823 -0.125 0.000 1.045 265 V HN 0.660 nan 8.190 nan 0.000 0.428 266 Y N 5.757 126.017 120.300 -0.067 0.000 2.328 266 Y HA 0.623 5.173 4.550 -0.001 0.000 0.337 266 Y C 0.396 176.212 175.900 -0.139 0.000 1.008 266 Y CA -0.508 57.553 58.100 -0.065 0.000 1.129 266 Y CB 1.486 39.938 38.460 -0.013 0.000 1.185 266 Y HN 0.458 nan 8.280 nan 0.000 0.476 267 L N 6.233 127.424 121.223 -0.054 0.000 2.379 267 L HA 0.521 4.860 4.340 -0.001 0.000 0.269 267 L C -2.027 174.889 176.870 0.076 0.000 1.084 267 L CA -1.904 52.835 54.840 -0.168 0.000 0.802 267 L CB 1.036 42.758 42.059 -0.562 0.000 1.175 267 L HN 0.432 nan 8.230 nan 0.000 0.448 268 P HA 0.319 nan 4.420 nan 0.000 0.285 268 P C -0.593 176.800 177.300 0.156 0.000 1.285 268 P CA -0.675 62.464 63.100 0.066 0.000 0.854 268 P CB 1.414 33.098 31.700 -0.026 0.000 1.180 269 I N 0.822 121.450 120.570 0.097 0.000 2.577 269 I HA 0.168 4.338 4.170 -0.001 0.000 0.299 269 I C 0.933 177.085 176.117 0.058 0.000 1.157 269 I CA 0.415 61.770 61.300 0.093 0.000 1.418 269 I CB -0.690 37.318 38.000 0.012 0.000 1.467 269 I HN 0.404 nan 8.210 nan 0.000 0.624 270 A N 4.453 127.346 122.820 0.122 0.000 2.726 270 A HA 0.920 5.239 4.320 -0.001 0.000 0.248 270 A C -0.272 177.314 177.584 0.004 0.000 1.249 270 A CA -0.372 51.649 52.037 -0.027 0.000 0.846 270 A CB 2.076 20.941 19.000 -0.226 0.000 1.391 270 A HN 0.449 nan 8.150 nan 0.000 0.497 271 S N -3.061 112.496 115.700 -0.239 0.000 2.815 271 S HA 0.583 5.052 4.470 -0.001 0.000 0.296 271 S C -1.661 172.762 174.600 -0.295 0.000 1.224 271 S CA -0.221 57.855 58.200 -0.206 0.000 0.938 271 S CB -0.247 62.766 63.200 -0.311 0.000 1.285 271 S HN 1.333 nan 8.310 nan 0.000 0.549 272 Y N 0.885 121.146 120.300 -0.066 0.000 2.326 272 Y HA 0.542 5.092 4.550 -0.001 0.000 0.333 272 Y C 1.361 177.112 175.900 -0.249 0.000 1.240 272 Y CA -0.735 57.320 58.100 -0.074 0.000 1.365 272 Y CB -0.101 38.355 38.460 -0.006 0.000 1.289 272 Y HN 0.634 nan 8.280 nan 0.000 0.548 273 F N 1.531 121.184 119.950 -0.495 0.000 2.085 273 F HA -0.275 4.252 4.527 -0.001 0.000 0.299 273 F C 1.523 177.062 175.800 -0.435 0.000 1.096 273 F CA 1.799 59.292 58.000 -0.845 0.000 1.227 273 F CB -0.257 38.288 39.000 -0.758 0.000 0.983 273 F HN 0.736 nan 8.300 nan 0.000 0.482 277 E N 1.112 120.889 120.200 -0.705 0.000 2.057 277 E HA -0.041 4.308 4.350 -0.001 0.000 0.190 277 E C 1.409 177.873 176.600 -0.227 0.000 0.969 277 E CA 0.725 56.874 56.400 -0.418 0.000 0.812 277 E CB -0.300 29.393 29.700 -0.011 0.000 0.777 277 E HN 0.508 nan 8.360 nan 0.000 0.455 278 W N 2.293 123.534 121.300 -0.098 0.000 2.335 278 W HA -0.133 4.526 4.660 -0.001 0.000 0.311 278 W C 2.709 179.047 176.519 -0.302 0.000 1.213 278 W CA 1.496 58.844 57.345 0.005 0.000 1.274 278 W CB -1.502 28.161 29.460 0.338 0.000 1.148 278 W HN 0.291 nan 8.180 nan 0.000 0.498 279 S N 0.023 115.561 115.700 -0.270 0.000 2.537 279 S HA -0.029 4.441 4.470 -0.001 0.000 0.240 279 S C 0.861 175.070 174.600 -0.653 0.000 0.981 279 S CA 0.422 58.094 58.200 -0.880 0.000 0.948 279 S CB -0.823 62.051 63.200 -0.543 0.000 0.759 279 S HN 0.044 nan 8.310 nan 0.000 0.531 280 L N 2.463 123.423 121.223 -0.439 0.000 2.418 280 L HA 0.411 4.751 4.340 -0.001 0.000 0.265 280 L C -2.164 174.552 176.870 -0.257 0.000 1.143 280 L CA -2.651 51.992 54.840 -0.329 0.000 0.809 280 L CB 0.586 42.474 42.059 -0.284 0.000 1.124 280 L HN 0.004 nan 8.230 nan 0.000 0.456 281 P HA 0.032 nan 4.420 nan 0.000 0.275 281 P C 0.147 177.419 177.300 -0.047 0.000 1.228 281 P CA -0.166 62.899 63.100 -0.059 0.000 0.786 281 P CB 1.003 32.775 31.700 0.120 0.000 0.927 282 A N 4.406 127.198 122.820 -0.048 0.000 1.883 282 A HA -0.343 3.977 4.320 -0.001 0.000 0.232 282 A C 2.106 179.793 177.584 0.172 0.000 1.671 282 A CA 2.857 54.883 52.037 -0.020 0.000 0.748 282 A CB -1.815 17.211 19.000 0.044 0.000 0.850 282 A HN 0.611 nan 8.150 nan 0.000 0.488 283 K N -1.896 118.689 120.400 0.308 0.000 2.063 283 K HA -0.215 4.105 4.320 -0.001 0.000 0.208 283 K C 2.412 179.134 176.600 0.204 0.000 1.048 283 K CA 1.825 58.302 56.287 0.317 0.000 0.928 283 K CB -0.167 32.467 32.500 0.222 0.000 0.713 283 K HN 0.528 nan 8.250 nan 0.000 0.442 284 Q N -0.083 119.786 119.800 0.115 0.000 2.230 284 Q HA -0.003 4.337 4.340 -0.001 0.000 0.202 284 Q C 1.731 177.786 176.000 0.091 0.000 0.963 284 Q CA 1.343 57.194 55.803 0.080 0.000 0.866 284 Q CB -0.025 28.715 28.738 0.005 0.000 0.931 284 Q HN 0.351 nan 8.270 nan 0.000 0.452 285 A N 0.477 123.302 122.820 0.007 0.000 1.873 285 A HA -0.203 4.116 4.320 -0.001 0.000 0.215 285 A C 1.977 179.663 177.584 0.170 0.000 1.186 285 A CA 1.639 53.618 52.037 -0.096 0.000 0.616 285 A CB -0.489 18.149 19.000 -0.604 0.000 0.823 285 A HN 0.315 nan 8.150 nan 0.000 0.442 286 K N -0.300 120.266 120.400 0.278 0.000 1.991 286 K HA -0.129 4.190 4.320 -0.001 0.000 0.212 286 K C 2.019 178.805 176.600 0.310 0.000 1.049 286 K CA 1.627 58.152 56.287 0.397 0.000 0.932 286 K CB -0.400 32.379 32.500 0.465 0.000 0.717 286 K HN 0.435 nan 8.250 nan 0.000 0.441 287 L N 0.555 121.936 121.223 0.264 0.000 2.013 287 L HA -0.223 4.116 4.340 -0.001 0.000 0.212 287 L C 2.448 179.488 176.870 0.283 0.000 1.073 287 L CA 1.674 56.650 54.840 0.227 0.000 0.753 287 L CB -0.388 41.776 42.059 0.174 0.000 0.890 287 L HN 0.296 nan 8.230 nan 0.000 0.432 288 F N -0.302 119.745 119.950 0.162 0.000 2.134 288 F HA -0.205 4.321 4.527 -0.001 0.000 0.299 288 F C 2.133 178.069 175.800 0.226 0.000 1.097 288 F CA 1.826 59.952 58.000 0.209 0.000 1.264 288 F CB -0.472 38.584 39.000 0.095 0.000 1.001 288 F HN -0.169 nan 8.300 nan 0.000 0.479 289 V N 1.781 121.783 119.914 0.146 0.000 2.287 289 V HA -0.334 3.785 4.120 -0.001 0.000 0.248 289 V C 2.388 178.475 176.094 -0.013 0.000 1.053 289 V CA 2.373 64.689 62.300 0.028 0.000 1.027 289 V CB -1.141 30.821 31.823 0.231 0.000 0.646 289 V HN 0.530 nan 8.190 nan 0.000 0.447 290 E N 0.140 120.399 120.200 0.099 0.000 2.110 290 E HA -0.284 4.066 4.350 -0.001 0.000 0.193 290 E C 2.191 178.854 176.600 0.106 0.000 0.988 290 E CA 1.642 58.101 56.400 0.098 0.000 0.804 290 E CB -0.585 29.198 29.700 0.140 0.000 0.745 290 E HN 0.532 nan 8.360 nan 0.000 0.458 291 F N 2.469 122.394 119.950 -0.041 0.000 2.216 291 F HA -0.129 4.397 4.527 -0.001 0.000 0.300 291 F C 1.903 177.664 175.800 -0.065 0.000 1.085 291 F CA 0.930 58.911 58.000 -0.031 0.000 1.326 291 F CB -0.192 38.805 39.000 -0.004 0.000 1.027 291 F HN -0.145 nan 8.300 nan 0.000 0.497 292 V N 0.192 119.870 119.914 -0.394 0.000 2.535 292 V HA -0.170 3.950 4.120 -0.001 0.000 0.246 292 V C 2.230 178.132 176.094 -0.321 0.000 1.045 292 V CA 1.746 63.770 62.300 -0.461 0.000 1.058 292 V CB -0.620 30.903 31.823 -0.501 0.000 0.689 292 V HN 0.263 nan 8.190 nan 0.000 0.461 293 E N 0.026 120.107 120.200 -0.198 0.000 2.031 293 E HA -0.265 4.085 4.350 -0.001 0.000 0.193 293 E C 2.333 178.880 176.600 -0.087 0.000 0.994 293 E CA 1.362 57.682 56.400 -0.133 0.000 0.800 293 E CB -0.159 29.511 29.700 -0.049 0.000 0.752 293 E HN 0.598 nan 8.360 nan 0.000 0.447 294 Q N 0.482 120.265 119.800 -0.027 0.000 2.077 294 Q HA -0.198 4.142 4.340 -0.001 0.000 0.206 294 Q C 2.418 178.429 176.000 0.017 0.000 0.989 294 Q CA 1.227 57.047 55.803 0.029 0.000 0.853 294 Q CB -0.127 28.678 28.738 0.113 0.000 0.907 294 Q HN 0.316 nan 8.270 nan 0.000 0.418 295 L N 0.326 121.532 121.223 -0.029 0.000 2.046 295 L HA -0.242 4.098 4.340 -0.001 0.000 0.208 295 L C 2.403 179.298 176.870 0.042 0.000 1.077 295 L CA 1.361 56.218 54.840 0.027 0.000 0.747 295 L CB -0.427 41.634 42.059 0.002 0.000 0.896 295 L HN 0.166 nan 8.230 nan 0.000 0.432 296 K N 0.165 120.534 120.400 -0.052 0.000 2.009 296 K HA -0.200 4.120 4.320 -0.001 0.000 0.210 296 K C 1.999 178.573 176.600 -0.043 0.000 1.049 296 K CA 1.631 57.863 56.287 -0.092 0.000 0.929 296 K CB -0.188 32.148 32.500 -0.272 0.000 0.714 296 K HN 0.339 nan 8.250 nan 0.000 0.440 297 E N 0.964 121.140 120.200 -0.040 0.000 2.086 297 E HA -0.228 4.121 4.350 -0.001 0.000 0.200 297 E C 1.265 177.869 176.600 0.007 0.000 1.012 297 E CA 1.401 57.792 56.400 -0.014 0.000 0.812 297 E CB -0.076 29.623 29.700 -0.000 0.000 0.743 297 E HN 0.374 nan 8.360 nan 0.000 0.453 298 E N -0.056 120.159 120.200 0.023 0.000 2.416 298 E HA 0.075 4.425 4.350 -0.001 0.000 0.189 298 E C 0.548 177.165 176.600 0.028 0.000 1.091 298 E CA 0.118 56.539 56.400 0.036 0.000 0.889 298 E CB 0.085 29.822 29.700 0.062 0.000 1.015 298 E HN 0.344 nan 8.360 nan 0.000 0.479 299 G N 2.735 111.545 108.800 0.017 0.000 2.422 299 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.301 299 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.301 299 G C 0.635 175.531 174.900 -0.007 0.000 0.981 299 G CA 1.440 46.545 45.100 0.009 0.000 0.994 299 G HN 0.495 nan 8.290 nan 0.000 0.514 300 K N -1.363 119.045 120.400 0.014 0.000 2.438 300 K HA 0.372 4.691 4.320 -0.001 0.000 0.206 300 K C 1.611 178.184 176.600 -0.046 0.000 1.081 300 K CA -0.113 56.134 56.287 -0.067 0.000 1.053 300 K CB 0.301 32.810 32.500 0.015 0.000 0.908 300 K HN 0.239 nan 8.250 nan 0.000 0.556 301 F N 2.742 122.630 119.950 -0.103 0.000 2.293 301 F HA 0.020 4.546 4.527 -0.001 0.000 0.300 301 F C 1.948 177.681 175.800 -0.112 0.000 1.086 301 F CA 1.214 59.153 58.000 -0.101 0.000 1.375 301 F CB 0.299 39.215 39.000 -0.140 0.000 1.045 301 F HN -0.014 nan 8.300 nan 0.000 0.516 302 E N 1.063 121.229 120.200 -0.058 0.000 2.274 302 E HA -0.170 4.179 4.350 -0.001 0.000 0.194 302 E C 1.916 178.383 176.600 -0.221 0.000 0.996 302 E CA 1.192 57.503 56.400 -0.148 0.000 0.840 302 E CB -0.124 29.559 29.700 -0.029 0.000 0.772 302 E HN 0.661 nan 8.360 nan 0.000 0.491 303 K N -1.561 118.671 120.400 -0.280 0.000 2.352 303 K HA 0.038 4.358 4.320 -0.001 0.000 0.194 303 K C 1.219 177.730 176.600 -0.148 0.000 1.038 303 K CA 0.472 56.579 56.287 -0.300 0.000 1.023 303 K CB 0.118 32.322 32.500 -0.493 0.000 0.840 303 K HN 0.131 nan 8.250 nan 0.000 0.519 304 Y N 0.072 120.324 120.300 -0.080 0.000 2.426 304 Y HA 0.274 4.823 4.550 -0.001 0.000 0.249 304 Y C 2.209 178.027 175.900 -0.136 0.000 1.103 304 Y CA -0.951 57.164 58.100 0.024 0.000 1.256 304 Y CB 0.543 39.077 38.460 0.123 0.000 1.208 304 Y HN -0.087 nan 8.280 nan 0.000 0.519 305 R N 0.913 121.226 120.500 -0.312 0.000 2.134 305 R HA -0.233 4.106 4.340 -0.001 0.000 0.248 305 R C 1.998 178.172 176.300 -0.210 0.000 1.143 305 R CA 1.883 57.669 56.100 -0.523 0.000 0.957 305 R CB -0.751 28.923 30.300 -1.043 0.000 0.867 305 R HN 0.244 nan 8.270 nan 0.000 0.441 306 V N 0.481 120.204 119.914 -0.318 0.000 2.613 306 V HA -0.257 3.862 4.120 -0.001 0.000 0.259 306 V C 1.125 176.949 176.094 -0.450 0.000 1.099 306 V CA 1.925 63.962 62.300 -0.438 0.000 1.115 306 V CB -0.357 31.044 31.823 -0.704 0.000 0.686 306 V HN 0.315 nan 8.190 nan 0.000 0.481 307 F N -1.882 118.107 119.950 0.065 0.000 2.668 307 F HA 0.357 4.883 4.527 -0.001 0.000 0.301 307 F C 0.286 176.185 175.800 0.164 0.000 1.106 307 F CA -0.278 57.771 58.000 0.081 0.000 1.289 307 F CB 0.616 39.644 39.000 0.046 0.000 1.006 307 F HN -0.199 nan 8.300 nan 0.000 0.535 308 V N 1.868 121.987 119.914 0.341 0.000 2.357 308 V HA 0.517 4.637 4.120 -0.001 0.000 0.284 308 V C -0.173 176.239 176.094 0.530 0.000 1.018 308 V CA -0.566 62.016 62.300 0.469 0.000 0.841 308 V CB 1.526 33.593 31.823 0.406 0.000 0.991 308 V HN 0.204 nan 8.190 nan 0.000 0.437 309 R N 2.172 122.939 120.500 0.444 0.000 2.740 309 R HA 0.690 5.030 4.340 -0.001 0.000 0.273 309 R C 0.280 176.571 176.300 -0.016 0.000 0.998 309 R CA -0.395 55.850 56.100 0.243 0.000 0.900 309 R CB 2.590 32.965 30.300 0.124 0.000 1.223 309 R HN 0.787 nan 8.270 nan 0.000 0.466 310 G N 0.137 108.699 108.800 -0.397 0.000 3.410 310 G HA2 0.498 4.457 3.960 -0.001 0.000 0.189 310 G HA3 0.498 4.457 3.960 -0.001 0.000 0.189 310 G C -0.061 174.599 174.900 -0.400 0.000 1.404 310 G CA -0.057 44.642 45.100 -0.668 0.000 0.898 310 G HN 0.562 nan 8.290 nan 0.000 0.650 311 G N -0.687 107.849 108.800 -0.440 0.000 2.532 311 G HA2 0.549 4.508 3.960 -0.001 0.000 0.291 311 G HA3 0.549 4.508 3.960 -0.001 0.000 0.291 311 G C -0.431 174.308 174.900 -0.269 0.000 1.349 311 G CA -0.392 44.510 45.100 -0.330 0.000 1.038 311 G HN 1.006 nan 8.290 nan 0.000 0.518 312 I N -3.936 116.497 120.570 -0.229 0.000 2.569 312 I HA 0.414 4.584 4.170 -0.001 0.000 0.296 312 I C 0.774 176.823 176.117 -0.114 0.000 1.028 312 I CA -1.176 60.043 61.300 -0.135 0.000 1.082 312 I CB 2.305 40.254 38.000 -0.086 0.000 1.264 312 I HN 0.712 nan 8.210 nan 0.000 0.429 313 W N 4.889 126.078 121.300 -0.184 0.000 2.277 313 W HA -0.313 4.346 4.660 -0.001 0.000 0.327 313 W C 2.164 178.618 176.519 -0.108 0.000 1.284 313 W CA 2.158 59.443 57.345 -0.099 0.000 1.277 313 W CB 0.049 29.378 29.460 -0.218 0.000 1.141 313 W HN 0.658 nan 8.180 nan 0.000 0.482 314 K N 0.391 120.832 120.400 0.068 0.000 2.293 314 K HA -0.221 4.099 4.320 -0.001 0.000 0.204 314 K C 1.377 177.786 176.600 -0.318 0.000 1.045 314 K CA 1.689 57.902 56.287 -0.123 0.000 0.933 314 K CB -0.663 31.894 32.500 0.096 0.000 0.736 314 K HN 0.181 nan 8.250 nan 0.000 0.463 315 N N -0.460 118.070 118.700 -0.284 0.000 2.449 315 N HA -0.019 4.721 4.740 -0.001 0.000 0.191 315 N C 0.555 175.909 175.510 -0.260 0.000 1.161 315 N CA 0.351 53.270 53.050 -0.219 0.000 0.863 315 N CB 0.012 38.347 38.487 -0.253 0.000 0.980 315 N HN 0.190 nan 8.380 nan 0.000 0.458 316 F N -0.590 119.047 119.950 -0.521 0.000 2.456 316 F HA 0.068 4.594 4.527 -0.001 0.000 0.298 316 F C 1.563 177.239 175.800 -0.208 0.000 1.104 316 F CA 0.602 58.358 58.000 -0.406 0.000 1.435 316 F CB -0.175 38.478 39.000 -0.577 0.000 1.078 316 F HN 0.044 nan 8.300 nan 0.000 0.546 317 F N -1.986 118.001 119.950 0.061 0.000 2.502 317 F HA -0.166 4.361 4.527 -0.001 0.000 0.298 317 F C 2.070 177.953 175.800 0.139 0.000 1.111 317 F CA 0.252 58.310 58.000 0.096 0.000 1.445 317 F CB -0.304 38.720 39.000 0.040 0.000 1.081 317 F HN 0.015 nan 8.300 nan 0.000 0.558 318 F N 1.025 121.033 119.950 0.096 0.000 2.317 318 F HA 0.041 4.567 4.527 -0.001 0.000 0.290 318 F C 2.251 178.033 175.800 -0.030 0.000 1.075 318 F CA 1.104 59.126 58.000 0.036 0.000 1.380 318 F CB -0.320 38.660 39.000 -0.033 0.000 1.093 318 F HN -0.296 nan 8.300 nan 0.000 0.524 319 K N -0.497 119.867 120.400 -0.061 0.000 2.057 319 K HA -0.124 4.196 4.320 -0.001 0.000 0.206 319 K C -0.388 175.976 176.600 -0.393 0.000 1.050 319 K CA 1.243 57.330 56.287 -0.334 0.000 0.935 319 K CB -0.256 31.940 32.500 -0.507 0.000 0.715 319 K HN 0.333 nan 8.250 nan 0.000 0.439 320 Y N 0.194 120.545 120.300 0.086 0.000 2.575 320 Y HA 0.230 4.779 4.550 -0.001 0.000 0.326 320 Y C -2.016 173.950 175.900 0.111 0.000 0.979 320 Y CA -2.609 55.540 58.100 0.083 0.000 1.286 320 Y CB 1.707 40.229 38.460 0.103 0.000 1.093 320 Y HN 0.107 nan 8.280 nan 0.000 0.501 321 P HA -0.217 nan 4.420 nan 0.000 0.215 321 P C 0.958 178.396 177.300 0.229 0.000 1.157 321 P CA 1.660 64.848 63.100 0.147 0.000 0.874 321 P CB 0.440 32.170 31.700 0.050 0.000 0.790 322 E N -0.896 119.436 120.200 0.220 0.000 2.160 322 E HA -0.153 4.196 4.350 -0.001 0.000 0.195 322 E C 2.143 178.938 176.600 0.325 0.000 0.991 322 E CA 1.400 57.953 56.400 0.254 0.000 0.810 322 E CB -1.155 28.640 29.700 0.158 0.000 0.742 322 E HN 0.180 nan 8.360 nan 0.000 0.466 323 S N 0.045 115.942 115.700 0.328 0.000 2.387 323 S HA -0.137 4.332 4.470 -0.001 0.000 0.226 323 S C 1.893 176.788 174.600 0.491 0.000 1.026 323 S CA 1.215 59.662 58.200 0.413 0.000 0.972 323 S CB -0.227 63.269 63.200 0.493 0.000 0.814 323 S HN 0.261 nan 8.310 nan 0.000 0.477 324 N N 0.090 119.049 118.700 0.431 0.000 2.084 324 N HA -0.024 4.715 4.740 -0.001 0.000 0.190 324 N C 0.599 176.187 175.510 0.131 0.000 1.030 324 N CA 0.839 54.017 53.050 0.213 0.000 0.849 324 N CB -0.466 38.171 38.487 0.249 0.000 1.012 324 N HN 0.431 nan 8.380 nan 0.000 0.423 328 K N 1.569 121.678 120.400 -0.486 0.000 2.228 328 K HA 0.112 4.431 4.320 -0.001 0.000 0.202 328 K C 1.240 177.536 176.600 -0.507 0.000 1.051 328 K CA 0.243 56.195 56.287 -0.558 0.000 0.960 328 K CB 0.107 32.273 32.500 -0.557 0.000 0.743 328 K HN 0.207 nan 8.250 nan 0.000 0.458 334 S N 0.397 116.058 115.700 -0.065 0.000 2.382 334 S HA -0.246 4.223 4.470 -0.001 0.000 0.228 334 S C 1.837 176.420 174.600 -0.029 0.000 1.027 334 S CA 2.556 60.730 58.200 -0.043 0.000 0.991 334 S CB -0.060 63.105 63.200 -0.059 0.000 0.823 334 S HN 0.579 nan 8.310 nan 0.000 0.469 335 K N 0.245 120.622 120.400 -0.037 0.000 2.076 335 K HA 0.165 4.484 4.320 -0.001 0.000 0.204 335 K C 2.059 178.651 176.600 -0.013 0.000 1.051 335 K CA 0.938 57.211 56.287 -0.024 0.000 0.949 335 K CB -0.417 32.067 32.500 -0.027 0.000 0.726 335 K HN 0.380 nan 8.250 nan 0.000 0.443 336 A N 0.252 123.063 122.820 -0.015 0.000 2.168 336 A HA -0.004 4.316 4.320 -0.001 0.000 0.215 336 A C 1.510 179.098 177.584 0.007 0.000 1.152 336 A CA 0.899 52.934 52.037 -0.003 0.000 0.716 336 A CB 0.235 19.232 19.000 -0.006 0.000 0.794 336 A HN 0.175 nan 8.150 nan 0.000 0.465 337 V N -1.280 118.638 119.914 0.007 0.000 3.346 337 V HA 0.082 4.202 4.120 -0.001 0.000 0.309 337 V C 1.840 177.944 176.094 0.015 0.000 1.457 337 V CA 0.401 62.713 62.300 0.020 0.000 1.069 337 V CB -0.116 31.726 31.823 0.032 0.000 0.944 337 V HN 0.639 nan 8.190 nan 0.000 0.449 338 R N 1.324 121.828 120.500 0.007 0.000 2.113 338 R HA -0.202 4.138 4.340 -0.001 0.000 0.244 338 R C 1.293 177.596 176.300 0.006 0.000 1.142 338 R CA 2.428 58.531 56.100 0.005 0.000 0.953 338 R CB 0.003 30.303 30.300 0.000 0.000 0.860 338 R HN 0.422 nan 8.270 nan 0.000 0.438 339 D N -0.418 119.985 120.400 0.006 0.000 2.340 339 D HA -0.009 4.630 4.640 -0.001 0.000 0.217 339 D C -0.389 175.914 176.300 0.006 0.000 1.081 339 D CA 0.187 54.189 54.000 0.005 0.000 0.842 339 D CB -0.059 40.743 40.800 0.004 0.000 0.934 339 D HN 0.141 nan 8.370 nan 0.000 0.511 340 N N 1.584 120.291 118.700 0.012 0.000 2.678 340 N HA 0.112 4.852 4.740 -0.001 0.000 0.231 340 N C -1.877 173.639 175.510 0.010 0.000 1.038 340 N CA -1.861 51.199 53.050 0.016 0.000 0.932 340 N CB 1.763 40.269 38.487 0.032 0.000 1.176 340 N HN -0.194 nan 8.380 nan 0.000 0.511 341 P HA -0.168 nan 4.420 nan 0.000 0.216 341 P C 0.838 178.118 177.300 -0.034 0.000 1.157 341 P CA 1.420 64.509 63.100 -0.018 0.000 0.880 341 P CB 0.503 32.188 31.700 -0.024 0.000 0.791 342 E N -1.084 119.101 120.200 -0.025 0.000 2.072 342 E HA -0.100 4.249 4.350 -0.001 0.000 0.190 342 E C 2.081 178.682 176.600 0.001 0.000 0.982 342 E CA 1.058 57.431 56.400 -0.044 0.000 0.803 342 E CB -0.417 29.277 29.700 -0.010 0.000 0.755 342 E HN 0.142 nan 8.360 nan 0.000 0.453 343 A N 1.536 124.414 122.820 0.095 0.000 1.897 343 A HA -0.138 4.181 4.320 -0.001 0.000 0.215 343 A C 2.108 179.772 177.584 0.134 0.000 1.181 343 A CA 0.814 52.970 52.037 0.198 0.000 0.620 343 A CB -0.302 18.785 19.000 0.145 0.000 0.821 343 A HN 0.005 nan 8.150 nan 0.000 0.443 344 R N 0.276 120.807 120.500 0.051 0.000 2.103 344 R HA -0.174 4.165 4.340 -0.001 0.000 0.242 344 R C 2.158 178.458 176.300 0.000 0.000 1.142 344 R CA 2.041 58.157 56.100 0.025 0.000 0.960 344 R CB -0.527 29.779 30.300 0.009 0.000 0.858 344 R HN 0.641 nan 8.270 nan 0.000 0.439 345 K N -0.648 119.711 120.400 -0.069 0.000 2.074 345 K HA -0.201 4.118 4.320 -0.001 0.000 0.209 345 K C 2.157 178.670 176.600 -0.145 0.000 1.048 345 K CA 1.778 57.988 56.287 -0.128 0.000 0.926 345 K CB -0.242 32.115 32.500 -0.238 0.000 0.713 345 K HN 0.254 nan 8.250 nan 0.000 0.444 346 Y N 0.081 120.358 120.300 -0.039 0.000 2.097 346 Y HA -0.260 4.289 4.550 -0.001 0.000 0.282 346 Y C 2.316 178.164 175.900 -0.087 0.000 1.152 346 Y CA 0.744 58.806 58.100 -0.062 0.000 1.136 346 Y CB -0.151 38.296 38.460 -0.022 0.000 0.975 346 Y HN 0.099 nan 8.280 nan 0.000 0.498 347 I N 0.252 120.893 120.570 0.117 0.000 2.423 347 I HA -0.279 3.891 4.170 -0.001 0.000 0.254 347 I C 1.845 177.961 176.117 -0.001 0.000 1.151 347 I CA 1.391 62.711 61.300 0.033 0.000 1.421 347 I CB -0.523 37.488 38.000 0.018 0.000 1.079 347 I HN 0.192 nan 8.210 nan 0.000 0.431 348 L N -0.484 120.728 121.223 -0.017 0.000 2.156 348 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 348 L C 2.397 179.176 176.870 -0.152 0.000 1.095 348 L CA 1.025 55.864 54.840 -0.002 0.000 0.770 348 L CB -0.632 41.482 42.059 0.091 0.000 0.914 348 L HN 0.137 nan 8.230 nan 0.000 0.439 349 K N 0.439 120.604 120.400 -0.392 0.000 2.097 349 K HA -0.054 4.265 4.320 -0.001 0.000 0.205 349 K C 2.031 178.554 176.600 -0.128 0.000 1.050 349 K CA 1.186 57.130 56.287 -0.572 0.000 0.938 349 K CB -0.203 32.031 32.500 -0.442 0.000 0.718 349 K HN 0.228 nan 8.250 nan 0.000 0.442 350 A N 1.468 124.262 122.820 -0.042 0.000 2.248 350 A HA -0.144 4.175 4.320 -0.001 0.000 0.210 350 A C 1.443 179.124 177.584 0.163 0.000 1.174 350 A CA 0.950 53.003 52.037 0.027 0.000 0.750 350 A CB -0.279 18.706 19.000 -0.025 0.000 0.780 350 A HN 0.343 nan 8.150 nan 0.000 0.478 351 Q N -1.461 118.431 119.800 0.153 0.000 2.319 351 Q HA 0.114 4.453 4.340 -0.001 0.000 0.202 351 Q C 0.344 176.524 176.000 0.300 0.000 0.896 351 Q CA -0.386 55.544 55.803 0.213 0.000 0.942 351 Q CB 0.046 28.860 28.738 0.127 0.000 1.083 351 Q HN 0.564 nan 8.270 nan 0.000 0.510 352 C N 3.303 122.794 119.300 0.317 0.000 2.601 352 C HA -0.040 4.419 4.460 -0.001 0.000 0.405 352 C C 1.821 177.080 174.990 0.448 0.000 1.441 352 C CA -0.055 59.171 59.018 0.347 0.000 1.555 352 C CB -1.039 26.887 27.740 0.309 0.000 2.450 352 C HN 0.703 nan 8.230 nan 0.000 0.614 353 N N 4.678 123.634 118.700 0.426 0.000 2.037 353 N HA -0.159 4.581 4.740 -0.001 0.000 0.196 353 N C 0.204 176.150 175.510 0.726 0.000 1.034 353 N CA 1.955 55.352 53.050 0.578 0.000 0.861 353 N CB -0.583 38.147 38.487 0.404 0.000 1.039 353 N HN 0.802 nan 8.380 nan 0.000 0.427 354 D N -0.079 120.618 120.400 0.495 0.000 2.443 354 D HA 0.186 4.826 4.640 -0.001 0.000 0.234 354 D C 1.020 177.350 176.300 0.049 0.000 1.172 354 D CA 1.481 55.574 54.000 0.155 0.000 0.878 354 D CB 0.460 41.306 40.800 0.077 0.000 1.204 354 D HN 0.690 nan 8.370 nan 0.000 0.453 355 A N 0.834 123.541 122.820 -0.190 0.000 3.663 355 A HA -0.298 4.021 4.320 -0.001 0.000 0.254 355 A C 0.879 178.304 177.584 -0.265 0.000 1.037 355 A CA 0.966 52.845 52.037 -0.263 0.000 1.450 355 A CB -2.241 16.588 19.000 -0.284 0.000 1.014 355 A HN 0.618 nan 8.150 nan 0.000 0.865 356 Y N -0.937 119.416 120.300 0.089 0.000 2.507 356 Y HA 0.323 4.872 4.550 -0.001 0.000 0.263 356 Y C 1.411 177.374 175.900 0.105 0.000 1.093 356 Y CA 0.813 59.048 58.100 0.225 0.000 1.285 356 Y CB 0.308 39.060 38.460 0.487 0.000 1.115 356 Y HN 0.795 nan 8.280 nan 0.000 0.533 357 W N -1.359 119.842 121.300 -0.164 0.000 3.274 357 W HA 0.617 5.277 4.660 -0.001 0.000 0.353 357 W C -1.518 174.775 176.519 -0.377 0.000 1.147 357 W CA -0.965 55.977 57.345 -0.673 0.000 1.054 357 W CB 0.656 29.185 29.460 -1.552 0.000 1.510 357 W HN -0.163 nan 8.180 nan 0.000 0.602 358 H N -0.651 118.193 119.070 -0.377 0.000 3.154 358 H HA 0.445 5.001 4.556 -0.001 0.000 0.330 358 H C -0.460 174.932 175.328 0.106 0.000 1.033 358 H CA 0.300 56.227 56.048 -0.201 0.000 1.393 358 H CB 1.384 31.173 29.762 0.045 0.000 1.951 358 H HN 0.716 nan 8.280 nan 0.000 0.466 359 G N 2.051 110.309 108.800 -0.904 0.000 2.543 359 G HA2 0.106 4.066 3.960 -0.001 0.000 0.202 359 G HA3 0.106 4.066 3.960 -0.001 0.000 0.202 359 G C 0.404 174.265 174.900 -1.732 0.000 1.897 359 G CA 0.405 44.594 45.100 -1.518 0.000 0.726 359 G HN 0.561 nan 8.290 nan 0.000 0.804 360 V N 0.317 119.286 119.914 -1.575 0.000 2.685 360 V HA 0.444 4.563 4.120 -0.001 0.000 0.244 360 V C 0.712 176.581 176.094 -0.376 0.000 1.054 360 V CA 0.140 61.930 62.300 -0.851 0.000 1.076 360 V CB -0.434 30.982 31.823 -0.678 0.000 0.725 360 V HN 0.223 nan 8.190 nan 0.000 0.467 361 F N 0.273 119.905 119.950 -0.530 0.000 2.382 361 F HA 0.415 4.942 4.527 -0.001 0.000 0.331 361 F C 1.879 177.572 175.800 -0.179 0.000 1.121 361 F CA -0.334 57.452 58.000 -0.356 0.000 1.183 361 F CB 0.933 39.719 39.000 -0.357 0.000 1.207 361 F HN 0.205 nan 8.300 nan 0.000 0.555 362 G N 1.590 110.426 108.800 0.060 0.000 2.624 362 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.221 362 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.221 362 G C 1.224 176.113 174.900 -0.018 0.000 1.169 362 G CA 0.920 46.034 45.100 0.024 0.000 0.771 362 G HN 1.197 nan 8.290 nan 0.000 0.598 363 G N 0.272 108.969 108.800 -0.171 0.000 2.629 363 G HA2 -0.417 3.543 3.960 -0.001 0.000 0.313 363 G HA3 -0.417 3.543 3.960 -0.001 0.000 0.313 363 G C 1.304 175.999 174.900 -0.342 0.000 1.217 363 G CA 0.726 45.620 45.100 -0.344 0.000 0.994 363 G HN 1.079 nan 8.290 nan 0.000 0.549 364 I N 0.367 120.684 120.570 -0.422 0.000 2.850 364 I HA 0.018 4.188 4.170 -0.001 0.000 0.266 364 I C 2.183 177.982 176.117 -0.530 0.000 1.257 364 I CA 1.483 62.488 61.300 -0.490 0.000 1.465 364 I CB -0.083 37.539 38.000 -0.630 0.000 1.091 364 I HN 0.516 nan 8.210 nan 0.000 0.467 365 Y N 0.369 120.445 120.300 -0.373 0.000 2.511 365 Y HA 0.180 4.730 4.550 -0.001 0.000 0.279 365 Y C 0.642 176.417 175.900 -0.208 0.000 1.157 365 Y CA -0.092 57.831 58.100 -0.295 0.000 1.300 365 Y CB 0.269 38.517 38.460 -0.353 0.000 1.052 365 Y HN 0.008 nan 8.280 nan 0.000 0.529 366 L N 2.101 123.243 121.223 -0.134 0.000 2.282 366 L HA 0.170 4.509 4.340 -0.001 0.000 0.287 366 L C -1.688 175.009 176.870 -0.288 0.000 1.075 366 L CA -1.693 53.038 54.840 -0.182 0.000 0.839 366 L CB 0.982 42.845 42.059 -0.326 0.000 1.219 366 L HN -0.038 nan 8.230 nan 0.000 0.434 367 P HA -0.235 nan 4.420 nan 0.000 0.216 367 P C 1.217 178.339 177.300 -0.297 0.000 1.154 367 P CA 1.754 64.661 63.100 -0.322 0.000 0.865 367 P CB 0.043 31.478 31.700 -0.441 0.000 0.789 368 H N -2.063 116.877 119.070 -0.217 0.000 2.491 368 H HA 0.022 4.578 4.556 -0.001 0.000 0.290 368 H C 1.768 176.981 175.328 -0.193 0.000 1.050 368 H CA 0.620 56.550 56.048 -0.197 0.000 1.309 368 H CB -1.274 28.322 29.762 -0.276 0.000 1.392 368 H HN 0.099 nan 8.280 nan 0.000 0.554 369 L N 0.535 121.365 121.223 -0.655 0.000 2.156 369 L HA -0.025 4.315 4.340 -0.001 0.000 0.208 369 L C 2.781 179.500 176.870 -0.252 0.000 1.095 369 L CA 1.469 56.051 54.840 -0.430 0.000 0.770 369 L CB -0.317 41.460 42.059 -0.470 0.000 0.914 369 L HN 0.411 nan 8.230 nan 0.000 0.439 370 R N 0.157 120.515 120.500 -0.236 0.000 2.210 370 R HA -0.056 4.283 4.340 -0.001 0.000 0.203 370 R C 2.220 178.538 176.300 0.030 0.000 1.010 370 R CA 0.538 56.560 56.100 -0.131 0.000 1.008 370 R CB -0.128 30.106 30.300 -0.110 0.000 0.923 370 R HN 0.142 nan 8.270 nan 0.000 0.469 371 R N 0.119 120.613 120.500 -0.010 0.000 2.148 371 R HA -0.007 4.333 4.340 -0.001 0.000 0.223 371 R C 1.195 177.545 176.300 0.083 0.000 1.088 371 R CA 1.738 57.885 56.100 0.078 0.000 0.985 371 R CB 0.055 30.379 30.300 0.040 0.000 0.880 371 R HN 0.254 nan 8.270 nan 0.000 0.451 372 T N -0.064 114.501 114.554 0.018 0.000 2.896 372 T HA -0.043 4.307 4.350 -0.001 0.000 0.263 372 T C 1.763 176.462 174.700 -0.002 0.000 1.050 372 T CA 0.927 63.038 62.100 0.019 0.000 1.140 372 T CB 0.081 68.954 68.868 0.009 0.000 0.877 372 T HN -0.009 nan 8.240 nan 0.000 0.457 373 V N -0.141 119.734 119.914 -0.065 0.000 2.307 373 V HA -0.140 3.980 4.120 -0.001 0.000 0.245 373 V C 2.030 178.017 176.094 -0.178 0.000 1.045 373 V CA 1.364 63.570 62.300 -0.157 0.000 1.024 373 V CB -0.684 30.927 31.823 -0.353 0.000 0.651 373 V HN 0.594 nan 8.190 nan 0.000 0.449 374 W N 0.414 121.682 121.300 -0.054 0.000 2.392 374 W HA -0.121 4.538 4.660 -0.001 0.000 0.279 374 W C 2.517 178.999 176.519 -0.062 0.000 1.225 374 W CA 1.512 58.830 57.345 -0.046 0.000 1.233 374 W CB 0.000 29.440 29.460 -0.034 0.000 1.122 374 W HN 0.311 nan 8.180 nan 0.000 0.561 375 E N 0.591 120.871 120.200 0.133 0.000 2.047 375 E HA -0.224 4.125 4.350 -0.001 0.000 0.191 375 E C 1.537 178.108 176.600 -0.047 0.000 0.987 375 E CA 1.568 57.989 56.400 0.036 0.000 0.799 375 E CB -0.441 29.275 29.700 0.026 0.000 0.752 375 E HN 0.410 nan 8.360 nan 0.000 0.449 376 N N 0.085 118.764 118.700 -0.035 0.000 2.244 376 N HA -0.077 4.663 4.740 -0.001 0.000 0.183 376 N C 1.963 177.439 175.510 -0.056 0.000 1.016 376 N CA 0.726 53.751 53.050 -0.042 0.000 0.866 376 N CB 0.046 38.549 38.487 0.027 0.000 0.980 376 N HN 0.194 nan 8.380 nan 0.000 0.430 377 I N 0.874 121.403 120.570 -0.069 0.000 2.252 377 I HA -0.220 3.950 4.170 -0.001 0.000 0.245 377 I C 1.923 178.018 176.117 -0.036 0.000 1.102 377 I CA 1.096 62.347 61.300 -0.082 0.000 1.385 377 I CB -0.108 37.775 38.000 -0.195 0.000 1.064 377 I HN 0.136 nan 8.210 nan 0.000 0.414 378 I N 0.532 121.100 120.570 -0.003 0.000 2.252 378 I HA -0.262 3.908 4.170 -0.001 0.000 0.245 378 I C 2.461 178.495 176.117 -0.138 0.000 1.102 378 I CA 1.316 62.597 61.300 -0.031 0.000 1.385 378 I CB -0.330 37.665 38.000 -0.008 0.000 1.064 378 I HN 0.123 nan 8.210 nan 0.000 0.414 379 K N 0.975 121.225 120.400 -0.251 0.000 2.097 379 K HA -0.140 4.179 4.320 -0.001 0.000 0.206 379 K C 2.247 178.672 176.600 -0.291 0.000 1.049 379 K CA 1.484 57.502 56.287 -0.449 0.000 0.933 379 K CB -0.274 31.601 32.500 -1.042 0.000 0.717 379 K HN 0.301 nan 8.250 nan 0.000 0.442 380 A N 1.854 124.586 122.820 -0.146 0.000 1.978 380 A HA -0.224 4.095 4.320 -0.001 0.000 0.220 380 A C 1.939 179.552 177.584 0.047 0.000 1.170 380 A CA 1.719 53.799 52.037 0.072 0.000 0.636 380 A CB -0.372 18.682 19.000 0.090 0.000 0.810 380 A HN 0.545 nan 8.150 nan 0.000 0.448 381 Q N -0.551 119.241 119.800 -0.014 0.000 2.217 381 Q HA 0.094 4.433 4.340 -0.001 0.000 0.217 381 Q C 1.516 177.484 176.000 -0.055 0.000 0.844 381 Q CA 0.165 55.962 55.803 -0.010 0.000 0.957 381 Q CB -0.057 28.673 28.738 -0.013 0.000 1.127 381 Q HN 0.730 nan 8.270 nan 0.000 0.503 382 R N 0.075 120.497 120.500 -0.130 0.000 2.096 382 R HA -0.177 4.163 4.340 -0.001 0.000 0.240 382 R C 0.679 176.757 176.300 -0.369 0.000 1.139 382 R CA 1.854 57.772 56.100 -0.303 0.000 0.952 382 R CB -0.915 29.096 30.300 -0.483 0.000 0.854 382 R HN 0.286 nan 8.270 nan 0.000 0.436 383 Y N 1.258 121.549 120.300 -0.016 0.000 2.490 383 Y HA 0.242 4.791 4.550 -0.001 0.000 0.281 383 Y C 1.050 176.952 175.900 0.003 0.000 1.174 383 Y CA -0.437 57.661 58.100 -0.004 0.000 1.295 383 Y CB 0.092 38.556 38.460 0.007 0.000 1.062 383 Y HN -0.056 nan 8.280 nan 0.000 0.522 384 L N 0.779 122.057 121.223 0.091 0.000 2.461 384 L HA -0.005 4.334 4.340 -0.001 0.000 0.259 384 L C 0.679 177.576 176.870 0.047 0.000 1.248 384 L CA -0.146 54.734 54.840 0.066 0.000 0.823 384 L CB 0.340 42.422 42.059 0.038 0.000 1.111 384 L HN 0.053 nan 8.230 nan 0.000 0.516 385 K N 1.568 121.992 120.400 0.040 0.000 2.297 385 K HA 0.276 4.595 4.320 -0.001 0.000 0.286 385 K C -2.346 174.268 176.600 0.024 0.000 1.053 385 K CA -1.445 54.862 56.287 0.033 0.000 0.940 385 K CB 0.938 33.457 32.500 0.033 0.000 1.019 385 K HN 0.164 nan 8.250 nan 0.000 0.475 386 P HA -0.010 nan 4.420 nan 0.000 0.268 386 P C -1.575 175.741 177.300 0.026 0.000 1.205 386 P CA 0.099 63.213 63.100 0.022 0.000 0.771 386 P CB 0.513 32.228 31.700 0.025 0.000 0.858 387 E N 0.965 121.181 120.200 0.027 0.000 2.397 387 E HA 0.298 4.648 4.350 -0.001 0.000 0.293 387 E C -1.204 175.412 176.600 0.027 0.000 0.930 387 E CA -1.026 55.390 56.400 0.027 0.000 0.793 387 E CB 0.802 30.516 29.700 0.023 0.000 1.259 387 E HN 0.163 nan 8.360 nan 0.000 0.406 388 N N 3.132 121.850 118.700 0.029 0.000 2.529 388 N HA 0.292 5.031 4.740 -0.001 0.000 0.278 388 N C -0.753 174.773 175.510 0.026 0.000 1.146 388 N CA -0.206 52.860 53.050 0.027 0.000 0.980 388 N CB 1.250 39.755 38.487 0.030 0.000 1.124 388 N HN 0.642 nan 8.380 nan 0.000 0.458 389 K N -0.111 120.302 120.400 0.021 0.000 2.562 389 K HA 0.476 4.796 4.320 -0.001 0.000 0.267 389 K C -1.434 175.175 176.600 0.015 0.000 0.938 389 K CA -0.802 55.498 56.287 0.022 0.000 0.840 389 K CB 1.258 33.771 32.500 0.020 0.000 1.390 389 K HN 0.120 nan 8.250 nan 0.000 0.428 390 I N 3.423 124.006 120.570 0.022 0.000 2.460 390 I HA 0.614 4.783 4.170 -0.001 0.000 0.298 390 I C -0.072 176.059 176.117 0.023 0.000 0.989 390 I CA -0.798 60.511 61.300 0.014 0.000 1.173 390 I CB 0.783 38.810 38.000 0.045 0.000 1.338 390 I HN 0.869 nan 8.210 nan 0.000 0.456 391 L N 1.798 123.031 121.223 0.017 0.000 3.025 391 L HA 0.391 4.730 4.340 -0.001 0.000 0.240 391 L C -1.276 175.613 176.870 0.032 0.000 0.985 391 L CA -0.883 53.976 54.840 0.031 0.000 1.029 391 L CB 1.678 43.758 42.059 0.034 0.000 1.519 391 L HN 0.290 nan 8.230 nan 0.000 0.422 392 D N 1.455 121.888 120.400 0.055 0.000 2.402 392 D HA 0.352 4.991 4.640 -0.001 0.000 0.235 392 D C 0.725 177.060 176.300 0.059 0.000 1.226 392 D CA 0.043 54.087 54.000 0.072 0.000 0.918 392 D CB 1.477 42.351 40.800 0.123 0.000 1.043 392 D HN 0.465 nan 8.370 nan 0.000 0.506 393 V N 3.181 123.094 119.914 -0.002 0.000 2.255 393 V HA -0.193 3.927 4.120 -0.001 0.000 0.243 393 V C 1.721 177.588 176.094 -0.378 0.000 1.038 393 V CA 1.981 64.203 62.300 -0.129 0.000 1.008 393 V CB -0.324 31.500 31.823 0.002 0.000 0.645 393 V HN 0.620 nan 8.190 nan 0.000 0.449 394 D N -1.326 118.980 120.400 -0.156 0.000 2.340 394 D HA -0.042 4.597 4.640 -0.001 0.000 0.220 394 D C 0.722 176.953 176.300 -0.116 0.000 1.039 394 D CA -0.277 53.609 54.000 -0.191 0.000 0.866 394 D CB -0.710 40.157 40.800 0.112 0.000 0.913 394 D HN 0.522 nan 8.370 nan 0.000 0.523 395 F N 0.470 120.450 119.950 0.051 0.000 3.023 395 F HA -0.219 4.308 4.527 -0.001 0.000 0.297 395 F C 0.141 175.965 175.800 0.040 0.000 0.858 395 F CA 0.254 58.276 58.000 0.037 0.000 1.222 395 F CB -1.622 37.405 39.000 0.045 0.000 1.263 395 F HN 0.157 nan 8.300 nan 0.000 0.565 396 D N -0.076 120.434 120.400 0.183 0.000 2.358 396 D HA 0.346 4.986 4.640 -0.001 0.000 0.224 396 D C 1.548 177.879 176.300 0.052 0.000 1.123 396 D CA 0.595 54.664 54.000 0.115 0.000 0.833 396 D CB 0.301 41.156 40.800 0.092 0.000 0.946 396 D HN 0.546 nan 8.370 nan 0.000 0.505 397 G N 0.133 108.965 108.800 0.053 0.000 2.184 397 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.264 397 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.264 397 G C 0.390 175.248 174.900 -0.070 0.000 0.975 397 G CA 0.245 45.348 45.100 0.005 0.000 0.642 397 G HN 0.491 nan 8.290 nan 0.000 0.536 398 R N -0.208 120.180 120.500 -0.188 0.000 2.919 398 R HA 0.791 5.131 4.340 -0.001 0.000 0.260 398 R C -0.353 175.751 176.300 -0.326 0.000 1.067 398 R CA -0.204 55.668 56.100 -0.380 0.000 1.003 398 R CB 1.683 31.455 30.300 -0.879 0.000 1.192 398 R HN 0.608 nan 8.270 nan 0.000 0.488 399 A N 1.449 124.125 122.820 -0.241 0.000 2.303 399 A HA 0.446 4.766 4.320 -0.001 0.000 0.320 399 A C -0.507 177.056 177.584 -0.035 0.000 1.192 399 A CA -0.575 51.412 52.037 -0.083 0.000 0.821 399 A CB 0.947 19.944 19.000 -0.006 0.000 1.188 399 A HN 0.622 nan 8.150 nan 0.000 0.492 400 E N 0.739 120.950 120.200 0.018 0.000 2.405 400 E HA 0.615 4.964 4.350 -0.001 0.000 0.253 400 E C -0.116 176.435 176.600 -0.082 0.000 1.257 400 E CA 0.191 56.601 56.400 0.017 0.000 0.960 400 E CB 0.525 30.264 29.700 0.065 0.000 1.077 400 E HN 0.608 nan 8.360 nan 0.000 0.512 404 E N 3.523 123.755 120.200 0.053 0.000 2.335 404 E HA 0.661 5.011 4.350 -0.001 0.000 0.280 404 E C -1.344 175.300 176.600 0.074 0.000 0.918 404 E CA -0.529 55.914 56.400 0.072 0.000 0.765 404 E CB 2.516 32.248 29.700 0.053 0.000 1.218 404 E HN 0.886 nan 8.360 nan 0.000 0.425 405 N N 2.229 120.990 118.700 0.101 0.000 3.294 405 N HA 0.258 4.997 4.740 -0.001 0.000 0.355 405 N C 0.089 175.630 175.510 0.051 0.000 1.497 405 N CA -0.403 52.700 53.050 0.088 0.000 0.707 405 N CB 0.074 38.637 38.487 0.126 0.000 1.732 405 N HN 0.328 nan 8.380 nan 0.000 0.640 406 D N -1.495 118.929 120.400 0.039 0.000 2.264 406 D HA 0.028 4.667 4.640 -0.001 0.000 0.208 406 D C 1.145 177.386 176.300 -0.098 0.000 0.966 406 D CA 1.427 55.416 54.000 -0.018 0.000 0.864 406 D CB -0.209 40.591 40.800 -0.001 0.000 0.933 406 D HN 0.753 nan 8.370 nan 0.000 0.499 407 G N -1.298 107.447 108.800 -0.092 0.000 2.748 407 G HA2 0.213 4.172 3.960 -0.001 0.000 0.204 407 G HA3 0.213 4.172 3.960 -0.001 0.000 0.204 407 G C 0.257 174.622 174.900 -0.893 0.000 1.095 407 G CA -0.125 44.702 45.100 -0.454 0.000 0.775 407 G HN 0.048 nan 8.290 nan 0.000 0.531 408 F N -0.822 119.144 119.950 0.027 0.000 2.664 408 F HA 0.678 5.205 4.527 -0.001 0.000 0.317 408 F C -0.582 175.229 175.800 0.019 0.000 1.108 408 F CA -1.359 56.662 58.000 0.035 0.000 0.957 408 F CB 1.767 40.811 39.000 0.074 0.000 1.365 408 F HN -0.273 nan 8.300 nan 0.000 0.475 409 I N 1.655 122.355 120.570 0.216 0.000 2.468 409 I HA 0.609 4.778 4.170 -0.001 0.000 0.284 409 I C -0.940 175.249 176.117 0.120 0.000 1.038 409 I CA -0.689 60.688 61.300 0.128 0.000 1.083 409 I CB 1.603 39.657 38.000 0.090 0.000 1.223 409 I HN 0.676 nan 8.210 nan 0.000 0.443 410 A N 4.159 127.026 122.820 0.078 0.000 2.318 410 A HA 0.835 5.155 4.320 -0.001 0.000 0.324 410 A C -0.321 177.273 177.584 0.015 0.000 1.170 410 A CA -0.432 51.611 52.037 0.010 0.000 0.810 410 A CB 0.951 19.912 19.000 -0.065 0.000 1.198 410 A HN 0.579 nan 8.150 nan 0.000 0.484 411 T N 3.496 118.067 114.554 0.029 0.000 2.791 411 T HA 0.527 4.877 4.350 -0.001 0.000 0.288 411 T C -0.227 174.472 174.700 -0.003 0.000 0.999 411 T CA 0.051 62.191 62.100 0.066 0.000 0.952 411 T CB 0.279 69.296 68.868 0.248 0.000 0.938 411 T HN 0.468 nan 8.240 nan 0.000 0.444 412 I N 2.546 123.088 120.570 -0.045 0.000 2.437 412 I HA 0.427 4.596 4.170 -0.001 0.000 0.298 412 I C 0.472 176.535 176.117 -0.091 0.000 0.984 412 I CA -0.887 60.367 61.300 -0.076 0.000 1.214 412 I CB 1.825 39.743 38.000 -0.138 0.000 1.365 412 I HN 0.327 nan 8.210 nan 0.000 0.469 413 K N 6.276 126.619 120.400 -0.096 0.000 2.459 413 K HA 0.292 4.611 4.320 -0.001 0.000 0.218 413 K C -1.992 174.458 176.600 -0.251 0.000 1.067 413 K CA -1.576 54.540 56.287 -0.285 0.000 1.045 413 K CB 0.958 33.037 32.500 -0.702 0.000 1.623 413 K HN 0.238 nan 8.250 nan 0.000 0.509 414 P HA -0.282 nan 4.420 nan 0.000 0.219 414 P C 0.840 178.207 177.300 0.112 0.000 1.161 414 P CA 1.522 64.634 63.100 0.021 0.000 0.909 414 P CB 0.008 31.733 31.700 0.042 0.000 0.793 415 H N -3.246 115.862 119.070 0.064 0.000 2.560 415 H HA -0.072 4.483 4.556 -0.001 0.000 0.283 415 H C 0.053 175.469 175.328 0.147 0.000 1.028 415 H CA 0.685 56.791 56.048 0.096 0.000 1.221 415 H CB -1.253 28.549 29.762 0.067 0.000 1.363 415 H HN 0.273 nan 8.280 nan 0.000 0.594 416 Y N 0.533 120.662 120.300 -0.284 0.000 2.609 416 Y HA 0.408 4.958 4.550 -0.001 0.000 0.350 416 Y C 1.006 176.912 175.900 0.011 0.000 1.050 416 Y CA -0.058 57.971 58.100 -0.119 0.000 1.290 416 Y CB 0.701 39.003 38.460 -0.262 0.000 1.094 416 Y HN 0.344 nan 8.280 nan 0.000 0.583 417 G N 2.463 111.246 108.800 -0.028 0.000 2.205 417 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.269 417 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.269 417 G C 1.097 175.621 174.900 -0.626 0.000 0.977 417 G CA 0.473 45.535 45.100 -0.064 0.000 0.652 417 G HN 1.926 nan 8.290 nan 0.000 0.539 418 G N -1.297 107.268 108.800 -0.393 0.000 2.341 418 G HA2 -0.015 3.944 3.960 -0.001 0.000 0.292 418 G HA3 -0.015 3.944 3.960 -0.001 0.000 0.292 418 G C 0.349 175.068 174.900 -0.301 0.000 1.021 418 G CA 1.080 45.927 45.100 -0.421 0.000 0.905 418 G HN 1.715 nan 8.290 nan 0.000 0.508 419 S N -0.826 114.817 115.700 -0.095 0.000 2.617 419 S HA 0.602 5.071 4.470 -0.001 0.000 0.283 419 S C 0.736 175.318 174.600 -0.030 0.000 1.189 419 S CA -0.683 57.481 58.200 -0.061 0.000 1.036 419 S CB 1.555 64.741 63.200 -0.023 0.000 1.014 419 S HN 0.339 nan 8.310 nan 0.000 0.522 420 I N 2.907 123.372 120.570 -0.175 0.000 2.389 420 I HA 0.060 4.230 4.170 -0.001 0.000 0.295 420 I C 0.035 176.022 176.117 -0.217 0.000 1.117 420 I CA 0.137 61.316 61.300 -0.202 0.000 1.317 420 I CB -0.116 37.671 38.000 -0.355 0.000 1.431 420 I HN 0.641 nan 8.210 nan 0.000 0.521 421 F N 3.929 123.716 119.950 -0.272 0.000 2.780 421 F HA 0.130 4.656 4.527 -0.001 0.000 0.299 421 F C 1.232 176.820 175.800 -0.354 0.000 1.146 421 F CA 0.494 58.284 58.000 -0.350 0.000 1.428 421 F CB 0.214 38.914 39.000 -0.499 0.000 1.115 421 F HN 0.423 nan 8.300 nan 0.000 0.583 422 E N 0.616 120.747 120.200 -0.115 0.000 2.311 422 E HA 0.334 4.684 4.350 -0.001 0.000 0.281 422 E C -1.945 174.609 176.600 -0.077 0.000 0.905 422 E CA -0.638 55.704 56.400 -0.096 0.000 0.778 422 E CB 1.755 31.529 29.700 0.122 0.000 1.240 422 E HN -0.027 nan 8.360 nan 0.000 0.410 423 L N 3.698 124.865 121.223 -0.093 0.000 2.490 423 L HA 0.404 4.743 4.340 -0.001 0.000 0.256 423 L C -1.485 175.420 176.870 0.058 0.000 1.089 423 L CA -0.145 54.703 54.840 0.013 0.000 0.916 423 L CB 1.344 43.395 42.059 -0.013 0.000 1.188 423 L HN 0.327 nan 8.230 nan 0.000 0.476 424 S N 1.387 117.111 115.700 0.041 0.000 2.537 424 S HA 0.457 4.926 4.470 -0.001 0.000 0.275 424 S C 0.090 174.713 174.600 0.038 0.000 1.272 424 S CA -0.386 57.796 58.200 -0.029 0.000 1.050 424 S CB 1.385 64.588 63.200 0.004 0.000 0.961 424 S HN 0.619 nan 8.310 nan 0.000 0.496 425 S N 2.279 117.908 115.700 -0.119 0.000 2.404 425 S HA 0.226 4.695 4.470 -0.001 0.000 0.309 425 S C 0.995 175.444 174.600 -0.251 0.000 1.076 425 S CA -0.756 57.339 58.200 -0.176 0.000 1.095 425 S CB 0.134 63.237 63.200 -0.162 0.000 0.972 425 S HN 0.653 nan 8.310 nan 0.000 0.484 426 K N 3.087 123.284 120.400 -0.339 0.000 2.147 426 K HA -0.074 4.246 4.320 -0.001 0.000 0.205 426 K C 2.211 178.647 176.600 -0.274 0.000 1.049 426 K CA 0.651 56.763 56.287 -0.292 0.000 0.936 426 K CB -0.086 32.220 32.500 -0.324 0.000 0.722 426 K HN 0.443 nan 8.250 nan 0.000 0.446 427 R N 1.874 122.198 120.500 -0.293 0.000 2.081 427 R HA -0.094 4.245 4.340 -0.001 0.000 0.235 427 R C 1.339 177.562 176.300 -0.127 0.000 1.131 427 R CA 1.706 57.690 56.100 -0.192 0.000 0.960 427 R CB 0.080 30.278 30.300 -0.170 0.000 0.856 427 R HN 0.158 nan 8.270 nan 0.000 0.436 428 K N -1.059 119.266 120.400 -0.125 0.000 2.354 428 K HA 0.241 4.560 4.320 -0.001 0.000 0.194 428 K C 0.561 177.099 176.600 -0.104 0.000 1.038 428 K CA 0.586 56.818 56.287 -0.092 0.000 1.052 428 K CB 0.562 33.016 32.500 -0.077 0.000 0.861 428 K HN 0.176 nan 8.250 nan 0.000 0.535 429 A N 0.956 123.696 122.820 -0.133 0.000 2.869 429 A HA -0.138 4.181 4.320 -0.001 0.000 0.280 429 A C -0.111 177.428 177.584 -0.075 0.000 1.458 429 A CA 0.568 52.540 52.037 -0.108 0.000 0.776 429 A CB -2.151 16.784 19.000 -0.108 0.000 1.028 429 A HN 0.073 nan 8.150 nan 0.000 0.547 430 V N 0.249 120.074 119.914 -0.147 0.000 2.823 430 V HA 0.606 4.726 4.120 -0.001 0.000 0.312 430 V C 0.022 175.927 176.094 -0.314 0.000 1.072 430 V CA -0.564 61.632 62.300 -0.174 0.000 0.937 430 V CB 2.102 33.801 31.823 -0.207 0.000 1.013 430 V HN 0.633 nan 8.190 nan 0.000 0.430 431 N N 2.014 120.542 118.700 -0.286 0.000 2.501 431 N HA 0.290 5.029 4.740 -0.001 0.000 0.245 431 N C 0.499 175.817 175.510 -0.320 0.000 0.974 431 N CA -0.257 52.543 53.050 -0.417 0.000 0.941 431 N CB 0.573 38.577 38.487 -0.804 0.000 1.122 431 N HN 0.608 nan 8.380 nan 0.000 0.507 432 Y N 2.112 122.346 120.300 -0.110 0.000 2.298 432 Y HA -0.198 4.352 4.550 -0.001 0.000 0.287 432 Y C 1.516 177.336 175.900 -0.132 0.000 1.164 432 Y CA 0.874 58.932 58.100 -0.069 0.000 1.229 432 Y CB 0.095 38.530 38.460 -0.042 0.000 0.977 432 Y HN 0.530 nan 8.280 nan 0.000 0.538 433 N N 0.311 118.962 118.700 -0.082 0.000 2.320 433 N HA -0.025 4.714 4.740 -0.001 0.000 0.237 433 N C -0.769 174.627 175.510 -0.191 0.000 1.129 433 N CA -0.071 52.890 53.050 -0.149 0.000 0.854 433 N CB -0.189 38.168 38.487 -0.217 0.000 1.083 433 N HN 0.014 nan 8.380 nan 0.000 0.504 434 D N 0.351 120.645 120.400 -0.177 0.000 2.600 434 D HA 0.072 4.711 4.640 -0.001 0.000 0.226 434 D C -0.700 175.638 176.300 0.064 0.000 1.119 434 D CA 0.119 54.051 54.000 -0.113 0.000 1.051 434 D CB -0.179 40.586 40.800 -0.058 0.000 1.106 434 D HN -0.105 nan 8.370 nan 0.000 0.491 435 V N 2.238 122.153 119.914 0.001 0.000 3.046 435 V HA 0.488 4.608 4.120 -0.001 0.000 0.316 435 V C 0.056 176.156 176.094 0.010 0.000 1.104 435 V CA -0.988 61.326 62.300 0.024 0.000 1.006 435 V CB 2.271 34.067 31.823 -0.045 0.000 1.058 435 V HN 0.228 nan 8.190 nan 0.000 0.440 436 L N 2.810 124.045 121.223 0.020 0.000 2.362 436 L HA 0.562 4.901 4.340 -0.001 0.000 0.271 436 L C -2.625 174.268 176.870 0.040 0.000 1.002 436 L CA -1.715 53.132 54.840 0.012 0.000 0.818 436 L CB 2.866 44.918 42.059 -0.011 0.000 1.298 436 L HN 0.446 nan 8.230 nan 0.000 0.420 437 P HA 0.260 nan 4.420 nan 0.000 0.282 437 P C -1.183 176.207 177.300 0.149 0.000 1.249 437 P CA -0.591 62.551 63.100 0.070 0.000 0.806 437 P CB 0.598 32.332 31.700 0.058 0.000 0.984 438 R N 2.732 123.335 120.500 0.172 0.000 2.288 438 R HA 0.295 4.634 4.340 -0.001 0.000 0.330 438 R C 0.437 176.919 176.300 0.304 0.000 1.069 438 R CA 0.056 56.317 56.100 0.269 0.000 0.941 438 R CB 0.276 30.744 30.300 0.280 0.000 0.998 438 R HN 0.398 nan 8.270 nan 0.000 0.452 439 R N 1.853 122.522 120.500 0.281 0.000 2.803 439 R HA 0.223 4.563 4.340 -0.001 0.000 0.276 439 R C -1.060 175.177 176.300 -0.104 0.000 0.978 439 R CA -0.999 55.169 56.100 0.114 0.000 0.939 439 R CB 1.665 32.072 30.300 0.179 0.000 1.179 439 R HN 0.500 nan 8.270 nan 0.000 0.472 440 W N 3.136 124.075 121.300 -0.602 0.000 2.345 440 W HA 0.156 4.815 4.660 -0.001 0.000 0.308 440 W C -0.533 175.766 176.519 -0.366 0.000 1.273 440 W CA -0.142 56.795 57.345 -0.680 0.000 1.243 440 W CB 0.806 29.827 29.460 -0.733 0.000 1.260 440 W HN 0.307 nan 8.180 nan 0.000 0.509 441 E N 4.851 124.110 120.200 -1.568 0.000 2.231 441 E HA -0.017 4.332 4.350 -0.001 0.000 0.277 441 E C 1.509 176.989 176.600 -1.867 0.000 0.999 441 E CA -0.309 55.196 56.400 -1.492 0.000 0.827 441 E CB 0.803 29.524 29.700 -1.632 0.000 1.101 441 E HN 0.758 nan 8.360 nan 0.000 0.393 442 H N 2.755 121.026 119.070 -1.331 0.000 2.426 442 H HA -0.222 4.333 4.556 -0.001 0.000 0.298 442 H C 1.121 176.297 175.328 -0.253 0.000 1.107 442 H CA 1.754 57.301 56.048 -0.835 0.000 1.298 442 H CB -0.489 29.150 29.762 -0.206 0.000 1.377 442 H HN 0.642 nan 8.280 nan 0.000 0.519 443 Y N -0.653 119.207 120.300 -0.732 0.000 2.471 443 Y HA 0.246 4.796 4.550 -0.001 0.000 0.286 443 Y C 1.731 177.753 175.900 0.202 0.000 1.188 443 Y CA -0.299 57.603 58.100 -0.331 0.000 1.286 443 Y CB -1.065 37.183 38.460 -0.353 0.000 1.072 443 Y HN 0.240 nan 8.280 nan 0.000 0.517 444 H N 0.226 119.218 119.070 -0.130 0.000 2.529 444 H HA 0.047 4.602 4.556 -0.001 0.000 0.277 444 H C 0.137 175.651 175.328 0.310 0.000 0.999 444 H CA 0.238 56.371 56.048 0.143 0.000 1.256 444 H CB 0.463 30.264 29.762 0.065 0.000 1.402 444 H HN 0.298 nan 8.280 nan 0.000 0.566 445 E N 1.980 122.465 120.200 0.474 0.000 2.052 445 E HA 0.122 4.471 4.350 -0.001 0.000 0.283 445 E C -0.659 176.127 176.600 0.310 0.000 1.071 445 E CA -0.170 56.471 56.400 0.401 0.000 0.851 445 E CB 1.715 31.674 29.700 0.431 0.000 1.066 445 E HN 0.032 nan 8.360 nan 0.000 0.396 446 V N 6.399 126.471 119.914 0.263 0.000 2.394 446 V HA 0.346 4.466 4.120 -0.001 0.000 0.282 446 V C -1.277 174.918 176.094 0.168 0.000 1.031 446 V CA -0.897 61.544 62.300 0.234 0.000 0.881 446 V CB 1.167 33.137 31.823 0.245 0.000 0.982 446 V HN 0.645 nan 8.190 nan 0.000 0.451 447 P HA 0.641 nan 4.420 nan 0.000 0.352 447 P C -0.094 177.261 177.300 0.092 0.000 1.163 447 P CA -0.347 62.821 63.100 0.113 0.000 0.775 447 P CB 1.538 33.307 31.700 0.114 0.000 1.524 448 E N -2.585 117.660 120.200 0.075 0.000 5.171 448 E HA -0.273 4.077 4.350 -0.001 0.000 0.184 448 E C 1.049 177.681 176.600 0.053 0.000 1.101 448 E CA 1.776 58.212 56.400 0.060 0.000 2.026 448 E CB -2.696 27.039 29.700 0.059 0.000 1.810 448 E HN 0.767 nan 8.360 nan 0.000 0.414 465 E N 1.770 122.091 120.200 0.201 0.000 4.498 465 E HA -0.030 4.320 4.350 -0.001 0.000 0.387 465 E C -1.032 175.601 176.600 0.054 0.000 0.610 465 E CA 0.016 56.493 56.400 0.129 0.000 1.563 465 E CB -0.377 29.406 29.700 0.139 0.000 1.890 465 E HN 0.320 nan 8.360 nan 0.000 0.306 466 L N 0.201 121.432 121.223 0.013 0.000 2.330 466 L HA 0.881 5.220 4.340 -0.001 0.000 0.271 466 L C 0.624 177.454 176.870 -0.067 0.000 1.013 466 L CA -0.527 54.296 54.840 -0.029 0.000 0.816 466 L CB 1.764 43.790 42.059 -0.054 0.000 1.287 466 L HN 0.104 nan 8.230 nan 0.000 0.435 467 G N 0.937 109.697 108.800 -0.067 0.000 2.721 467 G HA2 0.780 4.740 3.960 -0.001 0.000 0.296 467 G HA3 0.780 4.740 3.960 -0.001 0.000 0.296 467 G C -2.095 172.764 174.900 -0.068 0.000 1.383 467 G CA -0.545 44.500 45.100 -0.091 0.000 0.788 467 G HN 0.440 nan 8.290 nan 0.000 0.500 468 K N -0.346 120.042 120.400 -0.021 0.000 2.578 468 K HA 0.558 4.877 4.320 -0.001 0.000 0.269 468 K C -1.122 175.783 176.600 0.508 0.000 0.941 468 K CA -0.892 55.484 56.287 0.148 0.000 0.847 468 K CB 1.121 33.637 32.500 0.027 0.000 1.397 468 K HN 0.500 nan 8.250 nan 0.000 0.422 469 Q N 1.017 121.061 119.800 0.406 0.000 2.260 469 Q HA 0.530 4.869 4.340 -0.001 0.000 0.238 469 Q C -0.205 175.923 176.000 0.214 0.000 0.948 469 Q CA -0.480 55.516 55.803 0.321 0.000 0.895 469 Q CB 0.717 29.544 28.738 0.149 0.000 1.218 469 Q HN 0.595 nan 8.270 nan 0.000 0.470 470 I N 3.849 124.362 120.570 -0.096 0.000 2.347 470 I HA 0.168 4.337 4.170 -0.001 0.000 0.294 470 I C -1.886 174.065 176.117 -0.276 0.000 1.090 470 I CA -1.908 59.113 61.300 -0.465 0.000 1.314 470 I CB 0.238 37.897 38.000 -0.569 0.000 1.423 470 I HN 0.348 nan 8.210 nan 0.000 0.503 471 P HA -0.021 nan 4.420 nan 0.000 0.267 471 P C 0.466 177.643 177.300 -0.205 0.000 1.205 471 P CA 0.015 63.017 63.100 -0.163 0.000 0.765 471 P CB 1.172 32.801 31.700 -0.119 0.000 0.828 472 E N 3.277 123.389 120.200 -0.148 0.000 2.169 472 E HA -0.265 4.085 4.350 -0.001 0.000 0.202 472 E C 1.724 178.221 176.600 -0.172 0.000 1.016 472 E CA 2.249 58.562 56.400 -0.144 0.000 0.817 472 E CB -0.450 29.191 29.700 -0.098 0.000 0.736 472 E HN 0.677 nan 8.360 nan 0.000 0.462 473 E N -0.521 119.578 120.200 -0.169 0.000 2.209 473 E HA -0.188 4.161 4.350 -0.001 0.000 0.196 473 E C 2.050 178.478 176.600 -0.286 0.000 0.993 473 E CA 1.365 57.658 56.400 -0.179 0.000 0.819 473 E CB -0.306 29.307 29.700 -0.144 0.000 0.745 473 E HN 0.394 nan 8.360 nan 0.000 0.477 474 I N 0.412 120.744 120.570 -0.396 0.000 2.556 474 I HA -0.071 4.098 4.170 -0.001 0.000 0.251 474 I C 2.575 178.402 176.117 -0.484 0.000 1.105 474 I CA 0.021 60.920 61.300 -0.668 0.000 1.436 474 I CB -0.147 37.385 38.000 -0.780 0.000 1.139 474 I HN -0.023 nan 8.210 nan 0.000 0.438 475 R N 0.815 121.101 120.500 -0.358 0.000 2.133 475 R HA -0.259 4.081 4.340 -0.001 0.000 0.247 475 R C 2.270 178.447 176.300 -0.204 0.000 1.151 475 R CA 1.478 57.419 56.100 -0.264 0.000 0.971 475 R CB -0.816 29.363 30.300 -0.203 0.000 0.866 475 R HN 0.228 nan 8.270 nan 0.000 0.447 476 R N 1.352 121.741 120.500 -0.185 0.000 2.105 476 R HA -0.116 4.223 4.340 -0.001 0.000 0.239 476 R C 1.196 177.430 176.300 -0.110 0.000 1.135 476 R CA 1.526 57.547 56.100 -0.132 0.000 0.967 476 R CB -0.017 30.213 30.300 -0.117 0.000 0.861 476 R HN 0.148 nan 8.270 nan 0.000 0.442 477 E N -0.254 119.878 120.200 -0.113 0.000 2.501 477 E HA 0.066 4.416 4.350 -0.001 0.000 0.200 477 E C -0.430 176.234 176.600 0.107 0.000 1.016 477 E CA -0.149 56.258 56.400 0.011 0.000 0.921 477 E CB 0.305 30.076 29.700 0.120 0.000 1.034 477 E HN 0.276 nan 8.360 nan 0.000 0.468 478 L N 2.018 123.214 121.223 -0.046 0.000 2.334 478 L HA 0.338 4.677 4.340 -0.001 0.000 0.286 478 L C -0.270 176.459 176.870 -0.235 0.000 1.108 478 L CA -0.196 54.600 54.840 -0.073 0.000 0.875 478 L CB 0.114 42.037 42.059 -0.227 0.000 1.246 478 L HN -0.065 nan 8.230 nan 0.000 0.439 479 A N 4.821 127.552 122.820 -0.149 0.000 2.313 479 A HA 0.686 5.005 4.320 -0.001 0.000 0.323 479 A C -1.561 175.968 177.584 -0.092 0.000 1.133 479 A CA -0.414 51.514 52.037 -0.182 0.000 0.847 479 A CB 1.001 19.974 19.000 -0.045 0.000 1.308 479 A HN 0.653 nan 8.150 nan 0.000 0.475 480 Y N 0.436 120.820 120.300 0.142 0.000 2.373 480 Y HA 0.244 4.793 4.550 -0.001 0.000 0.336 480 Y C -0.404 175.595 175.900 0.166 0.000 0.979 480 Y CA -1.125 57.081 58.100 0.177 0.000 1.080 480 Y CB 1.950 40.539 38.460 0.214 0.000 1.190 480 Y HN 0.634 nan 8.280 nan 0.000 0.446 481 D N 2.987 123.568 120.400 0.302 0.000 2.339 481 D HA 0.024 4.663 4.640 -0.001 0.000 0.245 481 D C 0.270 176.681 176.300 0.185 0.000 1.115 481 D CA -0.009 54.072 54.000 0.134 0.000 0.917 481 D CB 1.104 41.922 40.800 0.030 0.000 1.192 481 D HN 0.823 nan 8.370 nan 0.000 0.428 482 W N 0.953 122.360 121.300 0.178 0.000 2.871 482 W HA 0.090 4.749 4.660 -0.001 0.000 0.340 482 W C 0.096 176.722 176.519 0.178 0.000 1.058 482 W CA -0.458 56.978 57.345 0.151 0.000 1.633 482 W CB 0.119 29.647 29.460 0.113 0.000 1.067 482 W HN 0.273 nan 8.180 nan 0.000 0.554 483 Q N 1.728 121.172 119.800 -0.592 0.000 2.257 483 Q HA 0.620 4.959 4.340 -0.001 0.000 0.262 483 Q C -0.780 175.145 176.000 -0.124 0.000 0.997 483 Q CA -0.729 54.781 55.803 -0.488 0.000 0.873 483 Q CB 2.482 30.625 28.738 -0.991 0.000 1.312 483 Q HN 0.095 nan 8.270 nan 0.000 0.450 484 L N 1.547 122.794 121.223 0.039 0.000 2.439 484 L HA 0.437 4.777 4.340 -0.001 0.000 0.261 484 L C 0.285 177.080 176.870 -0.125 0.000 1.153 484 L CA -0.745 54.060 54.840 -0.058 0.000 0.808 484 L CB 0.796 42.749 42.059 -0.178 0.000 1.126 484 L HN 0.635 nan 8.230 nan 0.000 0.460 485 R N 1.652 122.042 120.500 -0.183 0.000 2.239 485 R HA 0.615 4.955 4.340 -0.001 0.000 0.332 485 R C -0.578 175.474 176.300 -0.413 0.000 0.988 485 R CA -0.283 55.681 56.100 -0.226 0.000 0.859 485 R CB 1.424 31.637 30.300 -0.144 0.000 1.148 485 R HN 0.734 nan 8.270 nan 0.000 0.482 486 A N 3.718 126.233 122.820 -0.507 0.000 2.578 486 A HA 0.708 5.028 4.320 -0.001 0.000 0.255 486 A C -0.518 176.865 177.584 -0.334 0.000 1.251 486 A CA -0.788 50.835 52.037 -0.689 0.000 0.882 486 A CB 0.986 19.239 19.000 -1.244 0.000 1.416 486 A HN 0.568 nan 8.150 nan 0.000 0.462 487 I N 0.598 120.989 120.570 -0.298 0.000 2.378 487 I HA 0.362 4.531 4.170 -0.001 0.000 0.291 487 I C -0.806 175.260 176.117 -0.084 0.000 0.992 487 I CA -0.262 60.959 61.300 -0.132 0.000 1.154 487 I CB 1.030 38.946 38.000 -0.140 0.000 1.315 487 I HN 0.556 nan 8.210 nan 0.000 0.448 488 L N 6.138 127.388 121.223 0.046 0.000 3.303 488 L HA -0.168 4.171 4.340 -0.001 0.000 0.563 488 L C -0.506 176.433 176.870 0.115 0.000 1.328 488 L CA 0.160 55.084 54.840 0.139 0.000 0.964 488 L CB -1.427 40.717 42.059 0.140 0.000 1.739 488 L HN 0.754 nan 8.230 nan 0.000 0.837 489 Q N 0.761 120.625 119.800 0.107 0.000 2.303 489 Q HA 0.352 4.692 4.340 -0.001 0.000 0.257 489 Q C -0.400 175.675 176.000 0.124 0.000 0.941 489 Q CA -0.773 55.083 55.803 0.089 0.000 0.931 489 Q CB 1.746 30.528 28.738 0.074 0.000 1.215 489 Q HN 0.109 nan 8.270 nan 0.000 0.437 490 D N 3.369 123.846 120.400 0.128 0.000 2.347 490 D HA 0.195 4.834 4.640 -0.001 0.000 0.235 490 D C -0.073 176.217 176.300 -0.016 0.000 1.149 490 D CA 0.060 54.100 54.000 0.067 0.000 0.850 490 D CB 0.682 41.747 40.800 0.441 0.000 1.061 490 D HN 0.395 nan 8.370 nan 0.000 0.487 491 H N 0.892 119.811 119.070 -0.251 0.000 2.676 491 H HA 0.504 5.059 4.556 -0.001 0.000 0.352 491 H C -0.612 174.581 175.328 -0.225 0.000 1.193 491 H CA -0.788 55.262 56.048 0.004 0.000 1.243 491 H CB 1.652 31.510 29.762 0.160 0.000 1.751 491 H HN 0.236 nan 8.280 nan 0.000 0.567 492 F N 1.660 121.815 119.950 0.343 0.000 2.579 492 F HA 0.323 4.849 4.527 -0.001 0.000 0.325 492 F C -0.039 175.937 175.800 0.294 0.000 1.162 492 F CA -0.651 57.526 58.000 0.295 0.000 0.946 492 F CB 1.234 40.424 39.000 0.317 0.000 1.211 492 F HN 0.343 nan 8.300 nan 0.000 0.447 493 I N -0.748 120.050 120.570 0.381 0.000 3.145 493 I HA 0.588 4.758 4.170 -0.001 0.000 0.313 493 I C -1.120 175.170 176.117 0.287 0.000 1.122 493 I CA -1.426 60.080 61.300 0.343 0.000 0.987 493 I CB 2.060 40.225 38.000 0.275 0.000 1.236 493 I HN 0.281 nan 8.210 nan 0.000 0.453 494 K N 2.486 123.058 120.400 0.286 0.000 2.379 494 K HA 0.239 4.559 4.320 -0.001 0.000 0.284 494 K C -1.988 174.690 176.600 0.130 0.000 1.044 494 K CA -1.166 55.256 56.287 0.225 0.000 0.974 494 K CB 0.527 33.168 32.500 0.234 0.000 0.962 494 K HN 0.377 nan 8.250 nan 0.000 0.474 495 P HA -0.155 nan 4.420 nan 0.000 0.229 495 P C -0.422 176.889 177.300 0.017 0.000 1.150 495 P CA 1.148 64.253 63.100 0.008 0.000 0.765 495 P CB 0.255 31.952 31.700 -0.006 0.000 0.783 496 E N -1.727 118.512 120.200 0.064 0.000 2.548 496 E HA 0.096 4.445 4.350 -0.001 0.000 0.206 496 E C 0.250 176.925 176.600 0.125 0.000 1.005 496 E CA -0.181 56.264 56.400 0.074 0.000 0.951 496 E CB -0.115 29.622 29.700 0.062 0.000 1.035 496 E HN 0.155 nan 8.360 nan 0.000 0.470 497 E N 1.616 121.922 120.200 0.177 0.000 2.390 497 E HA 0.113 4.462 4.350 -0.001 0.000 0.261 497 E C -0.117 176.685 176.600 0.336 0.000 1.076 497 E CA -0.121 56.442 56.400 0.272 0.000 0.905 497 E CB 0.613 30.529 29.700 0.361 0.000 0.984 497 E HN 0.112 nan 8.360 nan 0.000 0.427 498 T N 1.368 116.046 114.554 0.208 0.000 2.929 498 T HA 0.269 4.619 4.350 -0.001 0.000 0.284 498 T C 1.229 175.710 174.700 -0.365 0.000 1.014 498 T CA -0.812 61.310 62.100 0.037 0.000 1.051 498 T CB 0.917 69.772 68.868 -0.021 0.000 1.028 498 T HN 0.553 nan 8.240 nan 0.000 0.485 499 L N 0.741 121.502 121.223 -0.769 0.000 2.046 499 L HA -0.065 4.274 4.340 -0.001 0.000 0.208 499 L C 2.129 178.547 176.870 -0.753 0.000 1.077 499 L CA 1.657 55.631 54.840 -1.444 0.000 0.747 499 L CB -0.294 40.985 42.059 -1.299 0.000 0.896 499 L HN 0.786 nan 8.230 nan 0.000 0.432 500 D N -0.422 119.713 120.400 -0.442 0.000 2.263 500 D HA -0.161 4.478 4.640 -0.001 0.000 0.208 500 D C 1.516 177.673 176.300 -0.237 0.000 0.971 500 D CA 0.844 54.660 54.000 -0.306 0.000 0.867 500 D CB -0.014 40.670 40.800 -0.193 0.000 0.929 500 D HN 0.401 nan 8.370 nan 0.000 0.492 501 N N -0.062 118.535 118.700 -0.172 0.000 2.250 501 N HA -0.119 4.621 4.740 -0.001 0.000 0.181 501 N C 1.562 177.100 175.510 0.047 0.000 1.017 501 N CA 0.420 53.460 53.050 -0.016 0.000 0.866 501 N CB -0.363 38.177 38.487 0.089 0.000 0.985 501 N HN 0.292 nan 8.380 nan 0.000 0.429 502 Y N 1.778 121.898 120.300 -0.300 0.000 2.184 502 Y HA -0.005 4.545 4.550 -0.001 0.000 0.290 502 Y C 2.581 178.106 175.900 -0.625 0.000 1.129 502 Y CA 1.403 59.197 58.100 -0.510 0.000 1.144 502 Y CB -0.206 37.868 38.460 -0.643 0.000 0.995 502 Y HN -0.113 nan 8.280 nan 0.000 0.513 503 R N 0.470 120.500 120.500 -0.783 0.000 2.122 503 R HA -0.183 4.156 4.340 -0.001 0.000 0.236 503 R C 0.556 176.356 176.300 -0.833 0.000 1.129 503 R CA 1.956 57.261 56.100 -1.326 0.000 0.925 503 R CB -0.815 28.991 30.300 -0.823 0.000 0.850 503 R HN 0.358 nan 8.270 nan 0.000 0.431 504 L N -0.369 120.612 121.223 -0.404 0.000 2.505 504 L HA 0.160 4.499 4.340 -0.001 0.000 0.226 504 L C 0.334 177.157 176.870 -0.079 0.000 1.211 504 L CA -0.635 54.093 54.840 -0.187 0.000 0.828 504 L CB 0.843 42.832 42.059 -0.116 0.000 1.331 504 L HN -0.002 nan 8.230 nan 0.000 0.513 505 V N 0.370 120.317 119.914 0.054 0.000 2.370 505 V HA 0.169 4.289 4.120 -0.001 0.000 0.279 505 V C 0.499 176.719 176.094 0.209 0.000 1.280 505 V CA -0.108 62.327 62.300 0.226 0.000 1.392 505 V CB -0.422 31.572 31.823 0.284 0.000 1.464 505 V HN 0.660 nan 8.190 nan 0.000 0.525 506 K N 0.670 121.187 120.400 0.195 0.000 2.358 506 K HA 0.232 4.552 4.320 -0.001 0.000 0.200 506 K C 0.510 177.235 176.600 0.208 0.000 1.030 506 K CA -0.219 56.152 56.287 0.140 0.000 1.097 506 K CB 0.510 33.056 32.500 0.078 0.000 0.862 506 K HN 0.720 nan 8.250 nan 0.000 0.534 507 Y N -1.043 119.354 120.300 0.161 0.000 2.289 507 Y HA 0.303 4.852 4.550 -0.001 0.000 0.332 507 Y C 0.049 176.129 175.900 0.300 0.000 1.324 507 Y CA -0.945 57.300 58.100 0.241 0.000 1.478 507 Y CB 0.346 39.004 38.460 0.330 0.000 1.378 507 Y HN -0.053 nan 8.280 nan 0.000 0.558 508 H N 1.289 120.449 119.070 0.149 0.000 2.683 508 H HA 0.262 4.817 4.556 -0.001 0.000 0.270 508 H C -1.140 174.262 175.328 0.125 0.000 1.201 508 H CA -0.930 55.129 56.048 0.017 0.000 1.277 508 H CB 0.151 29.971 29.762 0.097 0.000 1.400 508 H HN 0.709 nan 8.280 nan 0.000 0.504 509 E N 4.250 124.252 120.200 -0.330 0.000 2.415 509 E HA -0.000 4.349 4.350 -0.001 0.000 0.260 509 E C 0.115 176.617 176.600 -0.164 0.000 1.016 509 E CA 0.255 56.673 56.400 0.030 0.000 0.924 509 E CB 0.353 30.108 29.700 0.091 0.000 0.961 509 E HN 0.798 nan 8.360 nan 0.000 0.459 510 L N 3.183 124.477 121.223 0.119 0.000 2.202 510 L HA 0.254 4.593 4.340 -0.001 0.000 0.205 510 L C 1.400 178.401 176.870 0.219 0.000 1.083 510 L CA 0.642 55.550 54.840 0.113 0.000 0.790 510 L CB -0.304 41.910 42.059 0.257 0.000 0.942 510 L HN 0.574 nan 8.230 nan 0.000 0.452 511 G N -0.096 108.967 108.800 0.439 0.000 2.528 511 G HA2 0.253 4.212 3.960 -0.001 0.000 0.289 511 G HA3 0.253 4.212 3.960 -0.001 0.000 0.289 511 G C -0.680 174.461 174.900 0.401 0.000 1.192 511 G CA -0.214 45.240 45.100 0.591 0.000 0.921 511 G HN 0.285 nan 8.290 nan 0.000 0.512 512 D N -0.641 119.953 120.400 0.324 0.000 3.068 512 D HA 0.191 4.830 4.640 -0.001 0.000 0.327 512 D C -0.375 175.833 176.300 -0.153 0.000 1.361 512 D CA -0.490 53.471 54.000 -0.065 0.000 0.877 512 D CB 0.049 40.627 40.800 -0.370 0.000 1.088 512 D HN 0.189 nan 8.370 nan 0.000 0.489 513 F N -0.641 119.444 119.950 0.224 0.000 2.706 513 F HA 0.169 4.696 4.527 -0.001 0.000 0.313 513 F C 1.997 177.953 175.800 0.260 0.000 1.096 513 F CA -0.336 57.846 58.000 0.303 0.000 1.219 513 F CB 0.510 39.792 39.000 0.471 0.000 1.051 513 F HN -0.049 nan 8.300 nan 0.000 0.568 514 V N 1.119 121.200 119.914 0.278 0.000 2.256 514 V HA -0.221 3.898 4.120 -0.001 0.000 0.240 514 V C 1.605 177.590 176.094 -0.183 0.000 1.036 514 V CA 2.227 64.580 62.300 0.087 0.000 1.008 514 V CB -0.640 31.263 31.823 0.133 0.000 0.648 514 V HN 0.495 nan 8.190 nan 0.000 0.453 515 N N -0.582 117.992 118.700 -0.211 0.000 2.251 515 N HA 0.067 4.807 4.740 -0.001 0.000 0.217 515 N C 0.161 175.408 175.510 -0.439 0.000 1.124 515 N CA -0.249 52.358 53.050 -0.739 0.000 0.843 515 N CB 0.345 38.739 38.487 -0.154 0.000 1.024 515 N HN 0.341 nan 8.380 nan 0.000 0.501 516 Q N 1.528 121.209 119.800 -0.199 0.000 2.301 516 Q HA 0.453 4.793 4.340 -0.001 0.000 0.267 516 Q C -2.559 173.473 176.000 0.054 0.000 1.035 516 Q CA -2.074 53.676 55.803 -0.089 0.000 0.856 516 Q CB 2.066 30.717 28.738 -0.145 0.000 1.337 516 Q HN 0.158 nan 8.270 nan 0.000 0.450 517 P HA 0.129 nan 4.420 nan 0.000 0.272 517 P C -1.115 176.306 177.300 0.202 0.000 1.230 517 P CA 0.072 63.274 63.100 0.171 0.000 0.788 517 P CB 0.531 32.303 31.700 0.120 0.000 0.949 518 Y N -0.632 119.652 120.300 -0.026 0.000 2.499 518 Y HA 0.286 4.835 4.550 -0.001 0.000 0.347 518 Y C 0.876 176.645 175.900 -0.218 0.000 0.987 518 Y CA -0.851 57.184 58.100 -0.109 0.000 1.044 518 Y CB 1.450 39.877 38.460 -0.056 0.000 1.245 518 Y HN 0.270 nan 8.280 nan 0.000 0.461 519 E N 2.133 122.043 120.200 -0.483 0.000 2.349 519 E HA 0.218 4.567 4.350 -0.001 0.000 0.265 519 E C -1.204 174.847 176.600 -0.916 0.000 1.064 519 E CA -0.219 55.706 56.400 -0.792 0.000 0.886 519 E CB 1.281 30.270 29.700 -1.185 0.000 1.036 519 E HN 0.622 nan 8.360 nan 0.000 0.413 520 Y N -1.514 118.408 120.300 -0.629 0.000 2.609 520 Y HA 0.723 5.272 4.550 -0.001 0.000 0.342 520 Y C -0.212 175.639 175.900 -0.081 0.000 1.058 520 Y CA -1.022 56.873 58.100 -0.341 0.000 1.055 520 Y CB 1.640 40.014 38.460 -0.143 0.000 1.292 520 Y HN 0.512 nan 8.280 nan 0.000 0.476 524 E N 0.727 120.952 120.200 0.042 0.000 2.209 524 E HA -0.128 4.222 4.350 -0.001 0.000 0.196 524 E C 0.741 177.364 176.600 0.037 0.000 0.993 524 E CA 1.365 57.787 56.400 0.037 0.000 0.819 524 E CB 0.162 29.881 29.700 0.031 0.000 0.745 524 E HN 0.350 nan 8.360 nan 0.000 0.477 525 N N -1.069 117.653 118.700 0.037 0.000 2.193 525 N HA 0.148 4.888 4.740 -0.001 0.000 0.236 525 N C -0.404 175.125 175.510 0.032 0.000 1.347 525 N CA 0.499 53.571 53.050 0.038 0.000 0.812 525 N CB 1.597 40.108 38.487 0.040 0.000 1.297 525 N HN 0.161 nan 8.380 nan 0.000 0.499 526 G N -0.556 108.261 108.800 0.029 0.000 2.529 526 G HA2 0.395 4.355 3.960 -0.001 0.000 0.238 526 G HA3 0.395 4.355 3.960 -0.001 0.000 0.238 526 G C -1.886 173.028 174.900 0.023 0.000 1.207 526 G CA -0.145 44.962 45.100 0.013 0.000 0.928 526 G HN -0.094 nan 8.290 nan 0.000 0.495 527 V N 0.685 120.604 119.914 0.008 0.000 2.709 527 V HA 0.601 4.720 4.120 -0.001 0.000 0.308 527 V C -0.490 175.638 176.094 0.057 0.000 1.062 527 V CA -0.854 61.471 62.300 0.042 0.000 0.901 527 V CB 1.854 33.677 31.823 -0.000 0.000 1.003 527 V HN 0.744 nan 8.190 nan 0.000 0.425 528 K N 4.185 124.667 120.400 0.138 0.000 2.281 528 K HA 0.712 5.032 4.320 -0.001 0.000 0.272 528 K C -1.452 175.320 176.600 0.287 0.000 1.048 528 K CA -0.452 55.950 56.287 0.192 0.000 0.898 528 K CB 0.818 33.459 32.500 0.236 0.000 1.128 528 K HN 0.523 nan 8.250 nan 0.000 0.460 529 L N 4.143 125.496 121.223 0.218 0.000 2.304 529 L HA 0.718 5.057 4.340 -0.001 0.000 0.268 529 L C -1.004 176.133 176.870 0.446 0.000 1.010 529 L CA -0.520 54.429 54.840 0.181 0.000 0.813 529 L CB 1.076 43.187 42.059 0.085 0.000 1.315 529 L HN 0.795 nan 8.230 nan 0.000 0.445 530 W N -0.074 121.436 121.300 0.350 0.000 3.319 530 W HA 0.732 5.392 4.660 -0.001 0.000 0.300 530 W C -1.628 174.898 176.519 0.013 0.000 1.244 530 W CA -1.066 56.412 57.345 0.222 0.000 1.193 530 W CB 0.839 30.354 29.460 0.091 0.000 1.359 530 W HN 0.604 nan 8.180 nan 0.000 0.568 531 R N 1.471 121.966 120.500 -0.009 0.000 2.774 531 R HA 0.536 4.875 4.340 -0.001 0.000 0.272 531 R C -1.044 175.334 176.300 0.130 0.000 1.000 531 R CA -0.714 55.244 56.100 -0.237 0.000 0.906 531 R CB 2.026 31.736 30.300 -0.984 0.000 1.227 531 R HN 0.560 nan 8.270 nan 0.000 0.468 532 E N 1.524 121.749 120.200 0.040 0.000 3.312 532 E HA 0.293 4.642 4.350 -0.001 0.000 0.215 532 E C 0.159 176.742 176.600 -0.028 0.000 1.160 532 E CA -0.700 55.760 56.400 0.101 0.000 1.267 532 E CB 1.226 30.983 29.700 0.096 0.000 1.361 532 E HN 0.733 nan 8.360 nan 0.000 0.433 533 G N 0.208 108.877 108.800 -0.219 0.000 2.928 533 G HA2 0.679 4.639 3.960 -0.001 0.000 0.163 533 G HA3 0.679 4.639 3.960 -0.001 0.000 0.163 533 G C 0.079 175.014 174.900 0.058 0.000 1.573 533 G CA -0.283 44.602 45.100 -0.359 0.000 1.084 533 G HN 0.613 nan 8.290 nan 0.000 0.569 534 G N -2.777 106.159 108.800 0.227 0.000 2.646 534 G HA2 0.452 4.411 3.960 -0.001 0.000 0.291 534 G HA3 0.452 4.411 3.960 -0.001 0.000 0.291 534 G C -1.677 173.343 174.900 0.200 0.000 1.445 534 G CA -0.377 44.793 45.100 0.117 0.000 0.814 534 G HN 0.756 nan 8.290 nan 0.000 0.495 535 V N 1.924 121.748 119.914 -0.151 0.000 2.221 535 V HA 0.152 4.272 4.120 -0.001 0.000 0.258 535 V C -0.598 175.397 176.094 -0.164 0.000 1.179 535 V CA -0.642 61.523 62.300 -0.225 0.000 1.022 535 V CB -0.854 30.625 31.823 -0.573 0.000 1.228 535 V HN 0.510 nan 8.190 nan 0.000 0.487 536 Y N 3.110 123.332 120.300 -0.130 0.000 2.643 536 Y HA 0.353 4.903 4.550 -0.001 0.000 0.353 536 Y C 0.870 176.741 175.900 -0.049 0.000 1.257 536 Y CA 0.412 58.458 58.100 -0.091 0.000 1.779 536 Y CB -0.430 37.994 38.460 -0.061 0.000 1.495 536 Y HN 0.640 nan 8.280 nan 0.000 0.466 537 A N 1.727 124.539 122.820 -0.013 0.000 3.042 537 A HA 0.545 4.864 4.320 -0.001 0.000 0.229 537 A C 1.213 178.823 177.584 0.043 0.000 1.185 537 A CA -0.672 51.401 52.037 0.060 0.000 0.844 537 A CB 0.324 19.320 19.000 -0.007 0.000 1.403 537 A HN 0.404 nan 8.150 nan 0.000 0.555 538 E N 0.161 120.409 120.200 0.081 0.000 2.164 538 E HA -0.186 4.163 4.350 -0.001 0.000 0.206 538 E C 0.598 177.206 176.600 0.013 0.000 1.032 538 E CA 2.083 58.519 56.400 0.060 0.000 0.832 538 E CB 0.008 29.759 29.700 0.086 0.000 0.742 538 E HN 0.575 nan 8.360 nan 0.000 0.460 539 E N -0.208 119.977 120.200 -0.024 0.000 2.288 539 E HA 0.166 4.515 4.350 -0.001 0.000 0.268 539 E C -0.879 175.613 176.600 -0.180 0.000 0.885 539 E CA -0.781 55.574 56.400 -0.076 0.000 0.767 539 E CB 0.975 30.650 29.700 -0.042 0.000 1.220 539 E HN -0.228 nan 8.360 nan 0.000 0.427 540 K N 4.970 125.229 120.400 -0.234 0.000 2.150 540 K HA 0.178 4.497 4.320 -0.001 0.000 0.261 540 K C -0.666 175.730 176.600 -0.341 0.000 1.127 540 K CA -0.478 55.565 56.287 -0.408 0.000 0.989 540 K CB -0.354 31.803 32.500 -0.571 0.000 1.475 540 K HN 0.446 nan 8.250 nan 0.000 0.391 541 I N 7.302 127.675 120.570 -0.328 0.000 2.357 541 I HA 0.018 4.187 4.170 -0.001 0.000 0.300 541 I C -1.794 174.196 176.117 -0.210 0.000 1.159 541 I CA -1.891 59.266 61.300 -0.238 0.000 1.339 541 I CB -0.081 37.772 38.000 -0.245 0.000 1.458 541 I HN 0.281 nan 8.210 nan 0.000 0.577 542 P HA -0.025 nan 4.420 nan 0.000 0.259 542 P C -0.302 176.978 177.300 -0.032 0.000 1.163 542 P CA 0.312 63.354 63.100 -0.097 0.000 0.760 542 P CB 0.711 32.370 31.700 -0.069 0.000 0.762 543 A N 4.156 127.013 122.820 0.062 0.000 2.392 543 A HA 0.858 5.177 4.320 -0.001 0.000 0.283 543 A C -0.149 177.594 177.584 0.267 0.000 1.197 543 A CA -0.743 51.367 52.037 0.123 0.000 0.895 543 A CB 1.444 20.468 19.000 0.041 0.000 1.400 543 A HN 0.577 nan 8.150 nan 0.000 0.461 544 R N -0.196 120.440 120.500 0.228 0.000 2.879 544 R HA 0.459 4.799 4.340 -0.001 0.000 0.291 544 R C -2.294 174.093 176.300 0.146 0.000 1.246 544 R CA -0.231 56.018 56.100 0.248 0.000 1.083 544 R CB 1.123 31.510 30.300 0.145 0.000 1.274 544 R HN 0.559 nan 8.270 nan 0.000 0.393 545 V N 3.397 123.425 119.914 0.190 0.000 2.539 545 V HA 0.469 4.588 4.120 -0.001 0.000 0.292 545 V C -0.066 176.163 176.094 0.225 0.000 1.045 545 V CA -0.459 61.908 62.300 0.112 0.000 0.945 545 V CB 1.720 33.620 31.823 0.129 0.000 0.993 545 V HN 0.705 nan 8.190 nan 0.000 0.464 546 E N 3.789 124.046 120.200 0.095 0.000 2.246 546 E HA 0.515 4.864 4.350 -0.001 0.000 0.266 546 E C -1.188 175.304 176.600 -0.180 0.000 0.880 546 E CA -0.867 55.580 56.400 0.078 0.000 0.762 546 E CB 2.418 32.137 29.700 0.032 0.000 1.180 546 E HN 0.779 nan 8.360 nan 0.000 0.416 547 K N 1.661 121.937 120.400 -0.206 0.000 2.507 547 K HA 0.428 4.747 4.320 -0.001 0.000 0.252 547 K C -0.783 175.692 176.600 -0.209 0.000 0.943 547 K CA -0.974 54.996 56.287 -0.527 0.000 0.808 547 K CB 2.221 34.246 32.500 -0.792 0.000 1.142 547 K HN 0.168 nan 8.250 nan 0.000 0.426 548 K N 5.601 125.895 120.400 -0.176 0.000 2.356 548 K HA 0.266 4.586 4.320 -0.001 0.000 0.243 548 K C -0.894 175.672 176.600 -0.058 0.000 1.072 548 K CA -0.554 55.696 56.287 -0.062 0.000 1.014 548 K CB 0.356 32.835 32.500 -0.036 0.000 1.523 548 K HN 0.697 nan 8.250 nan 0.000 0.455 549 I N 4.386 124.913 120.570 -0.072 0.000 2.371 549 I HA 0.123 4.293 4.170 -0.001 0.000 0.290 549 I C -0.005 176.091 176.117 -0.035 0.000 1.028 549 I CA -0.210 61.043 61.300 -0.078 0.000 1.345 549 I CB 0.843 38.729 38.000 -0.189 0.000 1.407 549 I HN 0.534 nan 8.210 nan 0.000 0.501 550 E N 6.855 127.064 120.200 0.015 0.000 2.278 550 E HA 0.488 4.837 4.350 -0.001 0.000 0.272 550 E C -1.171 175.467 176.600 0.064 0.000 0.890 550 E CA -0.891 55.527 56.400 0.030 0.000 0.770 550 E CB 1.938 31.660 29.700 0.037 0.000 1.212 550 E HN 0.434 nan 8.360 nan 0.000 0.415 551 L N 2.325 123.576 121.223 0.046 0.000 2.483 551 L HA 0.214 4.554 4.340 -0.001 0.000 0.275 551 L C 0.669 177.578 176.870 0.066 0.000 1.220 551 L CA 0.510 55.386 54.840 0.061 0.000 0.833 551 L CB 0.325 42.426 42.059 0.071 0.000 1.102 551 L HN 0.803 nan 8.230 nan 0.000 0.490 552 T N -2.977 111.606 114.554 0.048 0.000 2.887 552 T HA 0.229 4.578 4.350 -0.001 0.000 0.292 552 T C 0.614 175.378 174.700 0.107 0.000 1.087 552 T CA -0.688 61.445 62.100 0.055 0.000 1.009 552 T CB 1.586 70.466 68.868 0.020 0.000 1.203 552 T HN 0.746 nan 8.240 nan 0.000 0.518 553 E N 0.526 120.798 120.200 0.119 0.000 2.396 553 E HA -0.169 4.181 4.350 -0.001 0.000 0.200 553 E C 0.557 177.324 176.600 0.279 0.000 1.023 553 E CA 1.550 58.055 56.400 0.176 0.000 0.857 553 E CB -0.272 29.493 29.700 0.109 0.000 0.775 553 E HN 0.771 nan 8.360 nan 0.000 0.525 554 D N -1.023 119.494 120.400 0.196 0.000 2.594 554 D HA 0.225 4.864 4.640 -0.001 0.000 0.256 554 D C 0.757 177.010 176.300 -0.078 0.000 1.393 554 D CA 0.211 54.343 54.000 0.221 0.000 0.797 554 D CB 0.662 41.521 40.800 0.099 0.000 1.110 554 D HN 0.228 nan 8.370 nan 0.000 0.495 555 G N 0.419 108.926 108.800 -0.489 0.000 2.249 555 G HA2 0.279 4.239 3.960 -0.001 0.000 0.089 555 G HA3 0.279 4.239 3.960 -0.001 0.000 0.089 555 G C -1.152 173.581 174.900 -0.277 0.000 1.206 555 G CA -0.194 44.482 45.100 -0.706 0.000 1.190 555 G HN 0.403 nan 8.290 nan 0.000 0.454 556 F N -0.692 119.130 119.950 -0.213 0.000 2.754 556 F HA 0.921 5.448 4.527 -0.001 0.000 0.320 556 F C -1.112 174.661 175.800 -0.046 0.000 1.156 556 F CA -1.489 56.424 58.000 -0.145 0.000 0.950 556 F CB 1.768 40.652 39.000 -0.193 0.000 1.388 556 F HN 0.810 nan 8.300 nan 0.000 0.485 557 I N 1.577 122.380 120.570 0.388 0.000 2.649 557 I HA 0.731 4.900 4.170 -0.001 0.000 0.289 557 I C -1.863 174.442 176.117 0.312 0.000 1.222 557 I CA -0.728 60.712 61.300 0.232 0.000 1.046 557 I CB 1.651 39.703 38.000 0.087 0.000 1.272 557 I HN 1.119 nan 8.210 nan 0.000 0.425 558 A N 7.395 130.417 122.820 0.338 0.000 2.304 558 A HA 0.640 4.959 4.320 -0.001 0.000 0.314 558 A C -1.016 176.650 177.584 0.137 0.000 1.187 558 A CA -0.674 51.490 52.037 0.212 0.000 0.810 558 A CB 0.915 20.098 19.000 0.305 0.000 1.183 558 A HN 0.669 nan 8.150 nan 0.000 0.487 559 K N 2.432 122.824 120.400 -0.014 0.000 2.264 559 K HA 0.403 4.722 4.320 -0.001 0.000 0.277 559 K C -1.531 174.926 176.600 -0.239 0.000 1.067 559 K CA -0.027 56.210 56.287 -0.083 0.000 0.900 559 K CB 0.983 33.443 32.500 -0.066 0.000 1.124 559 K HN 0.670 nan 8.250 nan 0.000 0.469 560 Y N 1.432 121.408 120.300 -0.540 0.000 2.376 560 Y HA 0.357 4.907 4.550 -0.001 0.000 0.325 560 Y C 0.284 175.808 175.900 -0.627 0.000 1.199 560 Y CA -0.430 57.247 58.100 -0.704 0.000 1.206 560 Y CB 1.567 39.200 38.460 -1.378 0.000 1.229 560 Y HN 0.415 nan 8.280 nan 0.000 0.480 561 R N 1.761 122.102 120.500 -0.265 0.000 2.518 561 R HA 0.612 4.952 4.340 -0.001 0.000 0.287 561 R C -2.608 173.587 176.300 -0.176 0.000 1.135 561 R CA -0.420 55.558 56.100 -0.203 0.000 0.967 561 R CB 1.039 31.257 30.300 -0.138 0.000 1.212 561 R HN 0.536 nan 8.270 nan 0.000 0.422 562 V N 6.505 126.293 119.914 -0.210 0.000 2.380 562 V HA 0.362 4.481 4.120 -0.001 0.000 0.286 562 V C -0.423 175.628 176.094 -0.071 0.000 1.015 562 V CA -0.714 61.464 62.300 -0.204 0.000 0.834 562 V CB 1.477 33.002 31.823 -0.497 0.000 1.009 562 V HN 0.663 nan 8.190 nan 0.000 0.428 563 L N 5.596 126.804 121.223 -0.024 0.000 2.280 563 L HA 0.647 4.987 4.340 -0.001 0.000 0.287 563 L C -0.897 175.988 176.870 0.027 0.000 1.023 563 L CA -0.666 54.176 54.840 0.004 0.000 0.819 563 L CB 1.388 43.442 42.059 -0.008 0.000 1.212 563 L HN 0.515 nan 8.230 nan 0.000 0.420 564 L N 4.115 125.362 121.223 0.040 0.000 2.312 564 L HA 0.220 4.560 4.340 -0.001 0.000 0.281 564 L C 1.175 178.055 176.870 0.017 0.000 1.070 564 L CA 0.537 55.394 54.840 0.028 0.000 0.805 564 L CB 1.471 43.562 42.059 0.053 0.000 1.174 564 L HN 0.779 nan 8.230 nan 0.000 0.434 565 E N 3.413 123.613 120.200 -0.000 0.000 2.031 565 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 565 E C 0.286 176.887 176.600 0.002 0.000 0.994 565 E CA 1.250 57.647 56.400 -0.004 0.000 0.800 565 E CB 0.199 29.889 29.700 -0.017 0.000 0.752 565 E HN 0.514 nan 8.360 nan 0.000 0.447 566 K N 1.112 121.512 120.400 0.001 0.000 2.207 566 K HA 0.291 4.610 4.320 -0.001 0.000 0.255 566 K C -2.606 174.030 176.600 0.060 0.000 0.941 566 K CA -2.692 53.606 56.287 0.020 0.000 0.825 566 K CB 1.526 34.030 32.500 0.007 0.000 1.119 566 K HN -0.092 nan 8.250 nan 0.000 0.430 567 P HA -0.035 nan 4.420 nan 0.000 0.266 567 P C -1.451 175.960 177.300 0.185 0.000 1.195 567 P CA 0.306 63.466 63.100 0.099 0.000 0.768 567 P CB 0.203 31.940 31.700 0.062 0.000 0.838 568 Y N 1.168 121.484 120.300 0.027 0.000 2.521 568 Y HA 0.243 4.792 4.550 -0.001 0.000 0.328 568 Y C -0.997 174.938 175.900 0.059 0.000 1.151 568 Y CA -1.074 57.046 58.100 0.035 0.000 1.054 568 Y CB 1.792 40.265 38.460 0.021 0.000 1.338 568 Y HN 0.100 nan 8.280 nan 0.000 0.453 569 K N 4.373 124.372 120.400 -0.668 0.000 2.273 569 K HA 0.769 5.088 4.320 -0.001 0.000 0.287 569 K C -0.837 175.566 176.600 -0.328 0.000 1.089 569 K CA -0.006 56.047 56.287 -0.389 0.000 0.909 569 K CB 0.687 32.989 32.500 -0.331 0.000 1.123 569 K HN 0.735 nan 8.250 nan 0.000 0.473 570 A N 3.298 126.155 122.820 0.062 0.000 2.586 570 A HA 0.633 4.952 4.320 -0.001 0.000 0.290 570 A C -1.476 176.255 177.584 0.245 0.000 1.086 570 A CA -0.808 51.382 52.037 0.255 0.000 0.665 570 A CB 1.081 20.435 19.000 0.591 0.000 1.279 570 A HN 0.498 nan 8.150 nan 0.000 0.423 571 L N 0.886 122.243 121.223 0.224 0.000 2.307 571 L HA 0.571 4.911 4.340 -0.001 0.000 0.284 571 L C -0.928 176.025 176.870 0.138 0.000 1.023 571 L CA -0.422 54.486 54.840 0.113 0.000 0.810 571 L CB 1.549 43.565 42.059 -0.071 0.000 1.231 571 L HN 0.725 nan 8.230 nan 0.000 0.423 572 F N 1.933 121.846 119.950 -0.062 0.000 2.420 572 F HA 0.734 5.260 4.527 -0.001 0.000 0.342 572 F C 0.336 176.029 175.800 -0.178 0.000 1.113 572 F CA -0.558 57.275 58.000 -0.278 0.000 1.059 572 F CB 1.595 40.412 39.000 -0.306 0.000 1.128 572 F HN 0.323 nan 8.300 nan 0.000 0.475 573 G N 4.920 113.114 108.800 -1.011 0.000 2.643 573 G HA2 0.557 4.517 3.960 -0.001 0.000 0.305 573 G HA3 0.557 4.517 3.960 -0.001 0.000 0.305 573 G C -2.116 172.377 174.900 -0.677 0.000 1.387 573 G CA -0.749 43.944 45.100 -0.678 0.000 0.982 573 G HN 0.599 nan 8.290 nan 0.000 0.501 574 V N 1.554 121.232 119.914 -0.393 0.000 2.370 574 V HA 0.450 4.569 4.120 -0.001 0.000 0.279 574 V C 0.154 176.247 176.094 -0.002 0.000 1.029 574 V CA -0.716 61.473 62.300 -0.185 0.000 0.870 574 V CB 1.359 33.099 31.823 -0.139 0.000 0.984 574 V HN 0.838 nan 8.190 nan 0.000 0.451 575 E N 4.755 125.024 120.200 0.114 0.000 2.166 575 E HA 0.621 4.970 4.350 -0.001 0.000 0.275 575 E C -1.355 175.327 176.600 0.137 0.000 0.941 575 E CA -0.641 55.852 56.400 0.154 0.000 0.784 575 E CB 1.500 31.364 29.700 0.273 0.000 1.115 575 E HN 0.673 nan 8.360 nan 0.000 0.399 576 I N 4.410 125.068 120.570 0.146 0.000 2.410 576 I HA 0.249 4.419 4.170 -0.001 0.000 0.286 576 I C -0.468 175.715 176.117 0.110 0.000 1.009 576 I CA -0.743 60.634 61.300 0.127 0.000 1.111 576 I CB 1.594 39.699 38.000 0.174 0.000 1.262 576 I HN 0.432 nan 8.210 nan 0.000 0.443 577 N N 8.083 126.796 118.700 0.021 0.000 2.439 577 N HA 0.467 5.206 4.740 -0.001 0.000 0.249 577 N C -0.887 174.630 175.510 0.012 0.000 1.003 577 N CA -0.358 52.685 53.050 -0.011 0.000 0.942 577 N CB 1.836 40.266 38.487 -0.096 0.000 1.115 577 N HN 0.364 nan 8.380 nan 0.000 0.505 578 L N 0.965 122.232 121.223 0.073 0.000 2.344 578 L HA 0.509 4.848 4.340 -0.001 0.000 0.272 578 L C 0.841 177.703 176.870 -0.013 0.000 1.035 578 L CA -0.879 54.006 54.840 0.074 0.000 0.807 578 L CB 1.433 43.554 42.059 0.102 0.000 1.237 578 L HN 0.436 nan 8.230 nan 0.000 0.442 579 A N 2.495 125.278 122.820 -0.062 0.000 3.202 579 A HA 0.389 4.709 4.320 -0.001 0.000 0.258 579 A C -0.045 177.176 177.584 -0.605 0.000 1.572 579 A CA -0.361 51.454 52.037 -0.370 0.000 1.241 579 A CB -0.748 18.115 19.000 -0.229 0.000 1.127 579 A HN 0.377 nan 8.150 nan 0.000 0.648 580 V N 1.235 120.975 119.914 -0.290 0.000 2.446 580 V HA 0.052 4.172 4.120 -0.001 0.000 0.276 580 V C 0.871 176.850 176.094 -0.192 0.000 1.030 580 V CA 0.752 62.974 62.300 -0.130 0.000 1.033 580 V CB -0.496 31.351 31.823 0.040 0.000 0.993 580 V HN 0.908 nan 8.190 nan 0.000 0.477 581 H N 1.674 120.815 119.070 0.117 0.000 2.927 581 H HA 0.043 4.598 4.556 -0.001 0.000 0.255 581 H C 1.904 177.308 175.328 0.126 0.000 0.974 581 H CA 0.732 56.851 56.048 0.118 0.000 1.199 581 H CB 0.646 30.488 29.762 0.134 0.000 1.447 581 H HN 0.726 nan 8.280 nan 0.000 0.467 582 S N -0.046 115.805 115.700 0.251 0.000 2.539 582 S HA 0.227 4.696 4.470 -0.001 0.000 0.221 582 S C 0.439 175.117 174.600 0.129 0.000 0.987 582 S CA -0.376 57.936 58.200 0.186 0.000 0.929 582 S CB 0.213 63.548 63.200 0.225 0.000 0.832 582 S HN -0.039 nan 8.310 nan 0.000 0.492 586 K N 0.084 120.490 120.400 0.010 0.000 2.509 586 K HA 0.752 5.071 4.320 -0.001 0.000 0.266 586 K C -2.813 173.791 176.600 0.006 0.000 0.987 586 K CA -2.306 53.990 56.287 0.014 0.000 0.868 586 K CB 1.697 34.206 32.500 0.014 0.000 1.421 586 K HN 0.135 nan 8.250 nan 0.000 0.444 587 P HA 0.087 nan 4.420 nan 0.000 0.264 587 P C -1.211 176.080 177.300 -0.014 0.000 1.193 587 P CA 0.274 63.368 63.100 -0.009 0.000 0.763 587 P CB 0.562 32.229 31.700 -0.055 0.000 0.810 588 E N 1.326 121.525 120.200 -0.003 0.000 2.393 588 E HA 0.507 4.857 4.350 -0.001 0.000 0.273 588 E C -1.155 175.470 176.600 0.041 0.000 0.918 588 E CA -0.717 55.727 56.400 0.072 0.000 0.773 588 E CB 1.884 31.706 29.700 0.203 0.000 1.275 588 E HN 0.322 nan 8.360 nan 0.000 0.451 589 E N 1.916 122.181 120.200 0.108 0.000 2.308 589 E HA 0.609 4.958 4.350 -0.001 0.000 0.275 589 E C -1.664 175.005 176.600 0.115 0.000 0.890 589 E CA -0.704 55.730 56.400 0.056 0.000 0.754 589 E CB 0.918 30.696 29.700 0.130 0.000 1.207 589 E HN 0.383 nan 8.360 nan 0.000 0.426 590 F N 0.754 120.681 119.950 -0.039 0.000 2.769 590 F HA 0.467 4.993 4.527 -0.001 0.000 0.313 590 F C -1.403 174.310 175.800 -0.145 0.000 1.146 590 F CA -1.202 56.744 58.000 -0.091 0.000 0.934 590 F CB 0.814 39.752 39.000 -0.103 0.000 1.283 590 F HN 0.279 nan 8.300 nan 0.000 0.443 591 E N 1.690 121.973 120.200 0.138 0.000 2.227 591 E HA 0.790 5.139 4.350 -0.001 0.000 0.282 591 E C -1.041 175.638 176.600 0.132 0.000 1.015 591 E CA -0.243 56.169 56.400 0.019 0.000 0.823 591 E CB 1.440 31.133 29.700 -0.012 0.000 1.081 591 E HN 1.187 nan 8.360 nan 0.000 0.396 592 A N 4.408 127.267 122.820 0.065 0.000 2.599 592 A HA 0.363 4.682 4.320 -0.001 0.000 0.294 592 A C -0.327 177.305 177.584 0.080 0.000 1.055 592 A CA -0.599 51.514 52.037 0.126 0.000 0.683 592 A CB 1.307 20.482 19.000 0.292 0.000 1.278 592 A HN 0.632 nan 8.150 nan 0.000 0.412 593 K N -0.094 120.363 120.400 0.096 0.000 2.370 593 K HA 0.261 4.580 4.320 -0.001 0.000 0.194 593 K C -0.052 176.622 176.600 0.124 0.000 1.070 593 K CA 0.797 57.135 56.287 0.085 0.000 0.998 593 K CB 0.266 32.800 32.500 0.057 0.000 0.911 593 K HN 0.757 nan 8.250 nan 0.000 0.533 594 E N -0.489 119.808 120.200 0.162 0.000 2.413 594 E HA 0.341 4.691 4.350 -0.001 0.000 0.277 594 E C -1.464 175.305 176.600 0.282 0.000 0.958 594 E CA -0.937 55.541 56.400 0.130 0.000 0.779 594 E CB 2.011 31.725 29.700 0.022 0.000 1.278 594 E HN 0.077 nan 8.360 nan 0.000 0.456 595 F N -1.499 118.423 119.950 -0.047 0.000 2.746 595 F HA 0.451 4.978 4.527 -0.001 0.000 0.311 595 F C -1.576 174.148 175.800 -0.125 0.000 1.135 595 F CA -0.919 57.045 58.000 -0.061 0.000 0.954 595 F CB 0.994 40.017 39.000 0.038 0.000 1.276 595 F HN 0.239 nan 8.300 nan 0.000 0.440 596 E N 1.733 121.932 120.200 -0.001 0.000 2.221 596 E HA 0.735 5.084 4.350 -0.001 0.000 0.268 596 E C -1.416 175.162 176.600 -0.037 0.000 0.933 596 E CA -1.452 54.862 56.400 -0.143 0.000 0.809 596 E CB 3.111 32.745 29.700 -0.110 0.000 1.190 596 E HN 0.494 nan 8.360 nan 0.000 0.406 597 V N 1.867 121.691 119.914 -0.150 0.000 2.628 597 V HA 0.392 4.511 4.120 -0.001 0.000 0.306 597 V C -0.689 175.383 176.094 -0.036 0.000 1.045 597 V CA -0.890 61.372 62.300 -0.062 0.000 0.905 597 V CB 1.710 33.416 31.823 -0.195 0.000 0.997 597 V HN 0.627 nan 8.190 nan 0.000 0.436 598 N N 1.786 120.505 118.700 0.031 0.000 2.519 598 N HA 0.394 5.134 4.740 -0.001 0.000 0.286 598 N C -1.570 173.981 175.510 0.068 0.000 1.079 598 N CA -0.322 52.746 53.050 0.031 0.000 0.878 598 N CB 1.455 39.956 38.487 0.024 0.000 1.375 598 N HN 0.694 nan 8.380 nan 0.000 0.514 599 D N 4.119 124.564 120.400 0.076 0.000 2.456 599 D HA 0.376 5.015 4.640 -0.001 0.000 0.287 599 D C -2.596 173.775 176.300 0.119 0.000 1.186 599 D CA -2.021 52.046 54.000 0.112 0.000 0.916 599 D CB 0.903 41.772 40.800 0.114 0.000 1.029 599 D HN 0.312 nan 8.370 nan 0.000 0.498 600 P HA 0.050 nan 4.420 nan 0.000 0.268 600 P C -0.278 177.135 177.300 0.188 0.000 1.205 600 P CA 0.120 63.246 63.100 0.043 0.000 0.771 600 P CB 0.194 31.943 31.700 0.082 0.000 0.858 601 Y N -0.802 119.548 120.300 0.083 0.000 4.929 601 Y HA -0.276 4.273 4.550 -0.001 0.000 0.253 601 Y C 1.376 177.356 175.900 0.132 0.000 0.946 601 Y CA 1.340 59.502 58.100 0.103 0.000 1.905 601 Y CB -2.158 36.365 38.460 0.106 0.000 1.400 601 Y HN 0.585 nan 8.280 nan 0.000 0.531 602 G N -0.198 108.737 108.800 0.226 0.000 3.364 602 G HA2 0.625 4.584 3.960 -0.001 0.000 0.191 602 G HA3 0.625 4.584 3.960 -0.001 0.000 0.191 602 G C 0.247 175.239 174.900 0.154 0.000 1.352 602 G CA -0.320 44.919 45.100 0.230 0.000 0.758 602 G HN 0.355 nan 8.290 nan 0.000 0.730 603 I N -0.166 120.488 120.570 0.139 0.000 3.322 603 I HA 0.622 4.791 4.170 -0.001 0.000 0.296 603 I C 1.470 177.672 176.117 0.142 0.000 1.101 603 I CA -0.370 61.011 61.300 0.134 0.000 1.166 603 I CB 0.291 38.446 38.000 0.259 0.000 1.475 603 I HN 0.511 nan 8.210 nan 0.000 0.665 604 G N 1.214 110.131 108.800 0.195 0.000 2.751 604 G HA2 0.069 4.029 3.960 -0.001 0.000 0.142 604 G HA3 0.069 4.029 3.960 -0.001 0.000 0.142 604 G C -0.289 174.661 174.900 0.084 0.000 1.783 604 G CA -0.060 45.117 45.100 0.129 0.000 1.018 604 G HN 0.812 nan 8.290 nan 0.000 0.474 605 K N -0.413 120.010 120.400 0.040 0.000 2.545 605 K HA 0.487 4.807 4.320 -0.001 0.000 0.252 605 K C -0.817 175.707 176.600 -0.127 0.000 0.948 605 K CA -0.685 55.579 56.287 -0.040 0.000 0.827 605 K CB 1.705 34.179 32.500 -0.043 0.000 1.128 605 K HN 0.427 nan 8.250 nan 0.000 0.429 606 V N 0.647 120.405 119.914 -0.260 0.000 3.019 606 V HA 0.742 4.861 4.120 -0.001 0.000 0.317 606 V C -1.001 174.742 176.094 -0.585 0.000 1.094 606 V CA -1.076 60.892 62.300 -0.553 0.000 1.000 606 V CB 1.832 33.089 31.823 -0.942 0.000 1.060 606 V HN 0.881 nan 8.190 nan 0.000 0.443 607 R N 1.660 121.719 120.500 -0.735 0.000 2.564 607 R HA 0.698 5.037 4.340 -0.001 0.000 0.284 607 R C -1.623 174.225 176.300 -0.753 0.000 1.031 607 R CA -0.697 55.018 56.100 -0.642 0.000 0.904 607 R CB 1.875 31.928 30.300 -0.412 0.000 1.199 607 R HN 0.906 nan 8.270 nan 0.000 0.443 608 I N 3.617 123.679 120.570 -0.847 0.000 2.353 608 I HA 0.276 4.446 4.170 -0.001 0.000 0.293 608 I C -0.300 175.542 176.117 -0.459 0.000 0.992 608 I CA -0.412 60.455 61.300 -0.721 0.000 1.268 608 I CB 1.759 39.161 38.000 -0.996 0.000 1.387 608 I HN 0.534 nan 8.210 nan 0.000 0.478 609 E N 7.540 127.587 120.200 -0.254 0.000 2.279 609 E HA 0.459 4.809 4.350 -0.001 0.000 0.252 609 E C -1.120 175.482 176.600 0.003 0.000 0.894 609 E CA -0.552 55.781 56.400 -0.112 0.000 0.785 609 E CB 2.093 31.724 29.700 -0.115 0.000 1.237 609 E HN 0.454 nan 8.360 nan 0.000 0.418 610 L N 2.057 123.326 121.223 0.078 0.000 2.416 610 L HA 0.291 4.631 4.340 -0.001 0.000 0.262 610 L C 1.013 177.970 176.870 0.144 0.000 1.093 610 L CA -0.531 54.413 54.840 0.173 0.000 0.801 610 L CB 0.601 42.803 42.059 0.237 0.000 1.191 610 L HN 0.601 nan 8.230 nan 0.000 0.459 611 D N 0.133 120.644 120.400 0.186 0.000 2.462 611 D HA 0.060 4.699 4.640 -0.001 0.000 0.221 611 D C -0.053 176.340 176.300 0.155 0.000 1.173 611 D CA -0.152 53.931 54.000 0.137 0.000 0.831 611 D CB 0.440 41.311 40.800 0.119 0.000 1.001 611 D HN 0.475 nan 8.370 nan 0.000 0.499 612 K N 0.903 121.423 120.400 0.200 0.000 2.664 612 K HA 0.475 4.795 4.320 -0.001 0.000 0.298 612 K C -0.904 175.797 176.600 0.167 0.000 1.152 612 K CA -0.489 55.917 56.287 0.198 0.000 1.038 612 K CB 1.190 33.852 32.500 0.271 0.000 1.342 612 K HN -0.018 nan 8.250 nan 0.000 0.496 613 A N 2.476 125.330 122.820 0.057 0.000 2.639 613 A HA 0.390 4.710 4.320 -0.001 0.000 0.229 613 A C 0.143 177.597 177.584 -0.217 0.000 1.062 613 A CA 1.080 53.093 52.037 -0.040 0.000 0.761 613 A CB -0.051 18.930 19.000 -0.032 0.000 0.988 613 A HN 1.021 nan 8.150 nan 0.000 0.510 614 A N 1.092 123.687 122.820 -0.375 0.000 2.568 614 A HA 0.700 5.019 4.320 -0.001 0.000 0.291 614 A C -0.354 176.899 177.584 -0.553 0.000 1.159 614 A CA -0.433 51.175 52.037 -0.715 0.000 0.679 614 A CB 0.746 18.779 19.000 -1.612 0.000 1.285 614 A HN 0.919 nan 8.150 nan 0.000 0.428 615 K N 1.056 121.065 120.400 -0.651 0.000 2.285 615 K HA 0.533 4.853 4.320 -0.001 0.000 0.286 615 K C -1.233 174.935 176.600 -0.720 0.000 1.072 615 K CA -0.185 55.740 56.287 -0.604 0.000 0.913 615 K CB 0.525 32.646 32.500 -0.632 0.000 1.067 615 K HN 0.423 nan 8.250 nan 0.000 0.479 616 V N 5.189 124.653 119.914 -0.751 0.000 2.427 616 V HA 0.302 4.421 4.120 -0.001 0.000 0.286 616 V C -0.702 174.990 176.094 -0.669 0.000 1.034 616 V CA -0.781 61.011 62.300 -0.847 0.000 0.893 616 V CB 0.833 31.841 31.823 -1.358 0.000 0.982 616 V HN 0.726 nan 8.190 nan 0.000 0.452 617 W N 4.461 125.419 121.300 -0.570 0.000 2.411 617 W HA 0.570 5.230 4.660 -0.001 0.000 0.317 617 W C 0.000 176.365 176.519 -0.256 0.000 1.030 617 W CA -1.327 55.786 57.345 -0.387 0.000 1.239 617 W CB 1.500 30.760 29.460 -0.333 0.000 1.304 617 W HN 0.446 nan 8.180 nan 0.000 0.437 618 K N 4.759 125.112 120.400 -0.078 0.000 2.270 618 K HA 0.666 4.985 4.320 -0.001 0.000 0.255 618 K C -1.430 175.137 176.600 -0.056 0.000 0.936 618 K CA -0.443 55.693 56.287 -0.253 0.000 0.809 618 K CB 1.527 33.783 32.500 -0.407 0.000 1.131 618 K HN 0.250 nan 8.250 nan 0.000 0.427 619 F N 1.034 120.823 119.950 -0.268 0.000 2.650 619 F HA 0.488 5.015 4.527 -0.001 0.000 0.310 619 F C -3.083 172.623 175.800 -0.158 0.000 1.112 619 F CA -2.514 55.372 58.000 -0.189 0.000 0.986 619 F CB 1.232 40.131 39.000 -0.169 0.000 1.285 619 F HN 0.339 nan 8.300 nan 0.000 0.440 620 P HA 0.300 nan 4.420 nan 0.000 0.271 620 P C -0.379 176.926 177.300 0.008 0.000 1.220 620 P CA 0.096 63.169 63.100 -0.046 0.000 0.768 620 P CB 0.831 32.532 31.700 0.001 0.000 0.848 621 I N 4.091 124.608 120.570 -0.090 0.000 2.278 621 I HA 0.121 4.290 4.170 -0.001 0.000 0.296 621 I C 0.756 176.823 176.117 -0.083 0.000 1.121 621 I CA -0.370 60.906 61.300 -0.039 0.000 1.267 621 I CB 0.023 37.977 38.000 -0.077 0.000 1.447 621 I HN 0.041 nan 8.210 nan 0.000 0.509 622 K N 4.462 124.764 120.400 -0.164 0.000 2.234 622 K HA 0.441 4.760 4.320 -0.001 0.000 0.282 622 K C -0.165 176.168 176.600 -0.444 0.000 1.039 622 K CA -0.304 55.673 56.287 -0.517 0.000 0.928 622 K CB 1.709 33.617 32.500 -0.987 0.000 1.039 622 K HN 0.330 nan 8.250 nan 0.000 0.470 623 T N 2.674 116.973 114.554 -0.425 0.000 2.807 623 T HA 0.283 4.633 4.350 -0.001 0.000 0.279 623 T C -0.816 173.851 174.700 -0.053 0.000 0.993 623 T CA -0.648 61.380 62.100 -0.119 0.000 0.970 623 T CB 0.879 69.766 68.868 0.032 0.000 0.950 623 T HN 0.260 nan 8.240 nan 0.000 0.441 624 L N 4.369 125.704 121.223 0.186 0.000 2.282 624 L HA 0.625 4.965 4.340 -0.001 0.000 0.287 624 L C 0.135 177.203 176.870 0.331 0.000 1.075 624 L CA 0.309 55.353 54.840 0.342 0.000 0.839 624 L CB 0.278 42.391 42.059 0.090 0.000 1.219 624 L HN 0.550 nan 8.230 nan 0.000 0.434 625 S N 3.655 119.478 115.700 0.205 0.000 2.704 625 S HA 0.575 5.044 4.470 -0.001 0.000 0.305 625 S C -0.660 174.142 174.600 0.336 0.000 1.107 625 S CA -0.555 57.658 58.200 0.021 0.000 0.993 625 S CB 1.347 64.295 63.200 -0.420 0.000 1.110 625 S HN 0.780 nan 8.310 nan 0.000 0.534 626 Q N 0.672 120.615 119.800 0.238 0.000 2.241 626 Q HA 0.702 5.041 4.340 -0.001 0.000 0.262 626 Q C -0.790 175.164 176.000 -0.078 0.000 1.014 626 Q CA -0.590 55.162 55.803 -0.084 0.000 0.885 626 Q CB 1.527 29.897 28.738 -0.614 0.000 1.311 626 Q HN 0.889 nan 8.270 nan 0.000 0.461 627 S N 0.744 116.320 115.700 -0.207 0.000 2.755 627 S HA 0.266 4.736 4.470 -0.001 0.000 0.286 627 S C -0.099 174.358 174.600 -0.238 0.000 1.207 627 S CA -0.472 57.630 58.200 -0.163 0.000 0.892 627 S CB 0.618 63.737 63.200 -0.134 0.000 1.240 627 S HN 0.651 nan 8.310 nan 0.000 0.525 628 E N 1.347 121.381 120.200 -0.277 0.000 2.021 628 E HA 0.268 4.617 4.350 -0.001 0.000 0.189 628 E C 2.303 178.749 176.600 -0.255 0.000 0.980 628 E CA 1.403 57.607 56.400 -0.327 0.000 0.803 628 E CB -0.948 28.453 29.700 -0.498 0.000 0.766 628 E HN 0.699 nan 8.360 nan 0.000 0.449 629 A N 0.445 123.138 122.820 -0.212 0.000 1.859 629 A HA 0.084 4.403 4.320 -0.001 0.000 0.218 629 A C 1.623 179.120 177.584 -0.146 0.000 1.209 629 A CA 2.418 54.371 52.037 -0.139 0.000 0.639 629 A CB -0.937 18.011 19.000 -0.086 0.000 0.835 629 A HN 0.394 nan 8.150 nan 0.000 0.450 630 G N -3.688 105.010 108.800 -0.169 0.000 0.000 630 G HA2 0.347 4.306 3.960 -0.001 0.000 0.000 630 G HA3 0.347 4.306 3.960 -0.001 0.000 0.000 630 G C -1.396 173.330 174.900 -0.290 0.000 0.000 630 G CA -0.352 44.596 45.100 -0.254 0.000 0.000 630 G HN 0.371 nan 8.290 nan 0.000 0.000 631 W N 1.763 123.074 121.300 0.018 0.000 2.315 631 W HA 0.600 5.259 4.660 -0.001 0.000 0.316 631 W C -0.738 175.821 176.519 0.068 0.000 1.211 631 W CA -0.149 57.229 57.345 0.055 0.000 1.201 631 W CB 1.258 30.747 29.460 0.047 0.000 1.184 631 W HN 0.081 nan 8.180 nan 0.000 0.544 632 D N 3.393 124.027 120.400 0.390 0.000 2.461 632 D HA 0.126 4.765 4.640 -0.001 0.000 0.240 632 D C -1.273 175.214 176.300 0.312 0.000 1.094 632 D CA -0.566 53.590 54.000 0.260 0.000 0.868 632 D CB 0.738 41.619 40.800 0.135 0.000 1.062 632 D HN 0.024 nan 8.370 nan 0.000 0.530 633 F N 3.280 123.294 119.950 0.106 0.000 2.335 633 F HA 0.410 4.936 4.527 -0.001 0.000 0.365 633 F C -0.182 175.662 175.800 0.074 0.000 1.122 633 F CA -0.713 57.327 58.000 0.066 0.000 1.151 633 F CB 0.251 39.272 39.000 0.036 0.000 1.282 633 F HN 0.188 nan 8.300 nan 0.000 0.513 634 I N 4.550 125.077 120.570 -0.071 0.000 2.433 634 I HA 0.223 4.393 4.170 -0.001 0.000 0.292 634 I C -0.234 175.839 176.117 -0.073 0.000 1.001 634 I CA -0.966 60.324 61.300 -0.016 0.000 1.119 634 I CB 1.918 39.955 38.000 0.062 0.000 1.289 634 I HN 0.385 nan 8.210 nan 0.000 0.438 635 Q N 5.305 125.100 119.800 -0.009 0.000 2.300 635 Q HA 0.054 4.394 4.340 -0.001 0.000 0.262 635 Q C 0.341 176.401 176.000 0.099 0.000 1.109 635 Q CA -0.102 55.704 55.803 0.005 0.000 0.905 635 Q CB 0.723 29.485 28.738 0.039 0.000 1.280 635 Q HN 0.530 nan 8.270 nan 0.000 0.426 636 Q N 2.438 122.281 119.800 0.071 0.000 2.425 636 Q HA 0.195 4.534 4.340 -0.001 0.000 0.204 636 Q C 0.395 176.476 176.000 0.135 0.000 0.933 636 Q CA 0.830 56.723 55.803 0.150 0.000 0.939 636 Q CB 1.232 30.030 28.738 0.101 0.000 1.044 636 Q HN 0.823 nan 8.270 nan 0.000 0.513 637 G N -1.006 107.803 108.800 0.014 0.000 2.336 637 G HA2 0.323 4.283 3.960 -0.001 0.000 0.286 637 G HA3 0.323 4.283 3.960 -0.001 0.000 0.286 637 G C -1.812 173.022 174.900 -0.109 0.000 1.269 637 G CA -0.546 44.498 45.100 -0.093 0.000 0.873 637 G HN -0.088 nan 8.290 nan 0.000 0.494 638 V N 0.309 120.153 119.914 -0.116 0.000 2.711 638 V HA 0.650 4.769 4.120 -0.001 0.000 0.304 638 V C -0.070 175.895 176.094 -0.214 0.000 1.097 638 V CA -0.379 61.803 62.300 -0.198 0.000 0.906 638 V CB 1.625 33.399 31.823 -0.081 0.000 1.015 638 V HN 1.182 nan 8.190 nan 0.000 0.427 639 S N 4.477 119.834 115.700 -0.572 0.000 2.475 639 S HA 0.680 5.150 4.470 -0.001 0.000 0.281 639 S C -1.334 173.067 174.600 -0.331 0.000 1.198 639 S CA -0.207 57.716 58.200 -0.462 0.000 1.063 639 S CB 0.271 62.940 63.200 -0.885 0.000 0.972 639 S HN 0.499 nan 8.310 nan 0.000 0.486 640 Y N 3.075 123.348 120.300 -0.046 0.000 2.447 640 Y HA 0.407 4.957 4.550 -0.001 0.000 0.325 640 Y C 0.819 176.754 175.900 0.059 0.000 0.976 640 Y CA -0.593 57.538 58.100 0.051 0.000 1.280 640 Y CB 1.579 40.177 38.460 0.230 0.000 1.104 640 Y HN 0.734 nan 8.280 nan 0.000 0.486 644 F N 3.362 123.109 119.950 -0.338 0.000 2.563 644 F HA 0.766 5.293 4.527 -0.001 0.000 0.316 644 F C -2.082 173.650 175.800 -0.113 0.000 1.076 644 F CA -1.834 56.027 58.000 -0.230 0.000 0.921 644 F CB 2.205 41.055 39.000 -0.251 0.000 1.209 644 F HN 0.187 nan 8.300 nan 0.000 0.462 645 P HA 0.507 nan 4.420 nan 0.000 0.286 645 P C -1.058 176.324 177.300 0.137 0.000 1.261 645 P CA -0.254 62.891 63.100 0.075 0.000 0.821 645 P CB 2.634 34.345 31.700 0.019 0.000 1.013 646 I N 1.183 121.846 120.570 0.155 0.000 2.752 646 I HA 0.208 4.378 4.170 -0.001 0.000 0.295 646 I C 0.201 176.416 176.117 0.164 0.000 1.219 646 I CA -0.501 60.903 61.300 0.173 0.000 1.030 646 I CB 2.769 40.915 38.000 0.243 0.000 1.259 646 I HN 0.328 nan 8.210 nan 0.000 0.423 647 E N 3.435 123.712 120.200 0.127 0.000 2.441 647 E HA 0.093 4.442 4.350 -0.001 0.000 0.207 647 E C 0.389 177.057 176.600 0.114 0.000 0.803 647 E CA 0.133 56.599 56.400 0.109 0.000 1.240 647 E CB 1.125 30.860 29.700 0.058 0.000 1.233 647 E HN 0.433 nan 8.360 nan 0.000 0.590 648 K N 0.068 120.524 120.400 0.092 0.000 2.726 648 K HA 0.177 4.497 4.320 -0.001 0.000 0.189 648 K C -0.925 175.709 176.600 0.056 0.000 1.691 648 K CA 0.396 56.726 56.287 0.071 0.000 1.250 648 K CB 1.099 33.629 32.500 0.050 0.000 1.705 648 K HN -0.100 nan 8.250 nan 0.000 0.606 649 E N 0.107 120.339 120.200 0.054 0.000 2.331 649 E HA 0.605 4.955 4.350 -0.001 0.000 0.275 649 E C -2.075 174.550 176.600 0.042 0.000 0.895 649 E CA -0.755 55.665 56.400 0.034 0.000 0.753 649 E CB 1.637 31.351 29.700 0.022 0.000 1.216 649 E HN 0.033 nan 8.360 nan 0.000 0.434 650 L N 2.330 123.563 121.223 0.016 0.000 2.513 650 L HA 0.626 4.965 4.340 -0.001 0.000 0.261 650 L C -1.743 175.126 176.870 -0.002 0.000 0.945 650 L CA -0.067 54.795 54.840 0.037 0.000 0.848 650 L CB 2.004 44.085 42.059 0.037 0.000 1.334 650 L HN 0.688 nan 8.230 nan 0.000 0.407 651 E N 4.399 124.636 120.200 0.062 0.000 2.352 651 E HA 0.716 5.066 4.350 -0.001 0.000 0.280 651 E C -1.779 174.881 176.600 0.099 0.000 0.930 651 E CA -0.474 55.903 56.400 -0.037 0.000 0.765 651 E CB 2.514 32.187 29.700 -0.044 0.000 1.219 651 E HN 0.484 nan 8.360 nan 0.000 0.434 652 F N -1.933 117.957 119.950 -0.101 0.000 2.926 652 F HA 0.647 5.174 4.527 -0.001 0.000 0.321 652 F C -1.347 174.457 175.800 0.006 0.000 1.168 652 F CA -0.813 57.134 58.000 -0.087 0.000 0.890 652 F CB 1.505 40.319 39.000 -0.310 0.000 1.357 652 F HN 0.149 nan 8.300 nan 0.000 0.468 653 T N 1.672 116.394 114.554 0.279 0.000 3.031 653 T HA 0.570 4.920 4.350 -0.001 0.000 0.305 653 T C -1.399 173.479 174.700 0.298 0.000 0.985 653 T CA -0.578 61.643 62.100 0.202 0.000 1.008 653 T CB 1.566 70.499 68.868 0.107 0.000 1.005 653 T HN 0.638 nan 8.240 nan 0.000 0.444 654 V N 4.382 124.503 119.914 0.345 0.000 2.432 654 V HA 0.566 4.685 4.120 -0.001 0.000 0.275 654 V C 0.457 176.623 176.094 0.120 0.000 1.043 654 V CA -0.721 61.743 62.300 0.275 0.000 0.925 654 V CB 1.162 33.207 31.823 0.369 0.000 0.985 654 V HN 0.641 nan 8.190 nan 0.000 0.466 655 R N 3.560 124.040 120.500 -0.032 0.000 2.534 655 R HA 0.463 4.802 4.340 -0.001 0.000 0.301 655 R C -1.770 174.313 176.300 -0.362 0.000 0.961 655 R CA -0.619 55.377 56.100 -0.173 0.000 0.871 655 R CB 1.779 32.011 30.300 -0.114 0.000 1.170 655 R HN 0.661 nan 8.270 nan 0.000 0.446 656 F N 4.270 123.723 119.950 -0.829 0.000 2.411 656 F HA 0.457 4.983 4.527 -0.001 0.000 0.352 656 F C -0.389 175.045 175.800 -0.610 0.000 1.123 656 F CA -0.535 56.933 58.000 -0.888 0.000 1.044 656 F CB 0.800 38.904 39.000 -1.494 0.000 1.135 656 F HN 0.290 nan 8.300 nan 0.000 0.461 657 R N 5.172 125.235 120.500 -0.729 0.000 2.409 657 R HA 0.183 4.522 4.340 -0.001 0.000 0.313 657 R C -0.876 175.121 176.300 -0.505 0.000 0.953 657 R CA -0.825 55.004 56.100 -0.451 0.000 0.849 657 R CB 1.896 32.004 30.300 -0.321 0.000 1.171 657 R HN 0.692 nan 8.270 nan 0.000 0.458 658 E N 4.255 124.341 120.200 -0.190 0.000 2.316 658 E HA 0.225 4.574 4.350 -0.001 0.000 0.275 658 E C -0.724 175.863 176.600 -0.022 0.000 1.029 658 E CA -0.176 56.214 56.400 -0.017 0.000 0.871 658 E CB 0.733 30.670 29.700 0.395 0.000 1.022 658 E HN 0.379 nan 8.360 nan 0.000 0.418 659 L N 0.000 121.194 121.223 -0.048 0.000 2.949 659 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 659 L CA 0.000 54.815 54.840 -0.042 0.000 0.813 659 L CB 0.000 42.005 42.059 -0.090 0.000 0.961 659 L HN 0.000 nan 8.230 nan 0.000 0.502